USER MOD reduce.3.24.130724 H: found=0, std=0, add=1696, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1692 hydrogens (26 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 19 THR OG1 : rot 80:sc= 0.947 USER MOD Single : A 1 MET CE :methyl -132:sc= -0.0418 (180deg=-0.187) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0612 (180deg=-0.0711) USER MOD Single : A 7 THR OG1 : rot 102:sc= 0.358 USER MOD Single : A 12 SER OG : rot 59:sc= 0.163 USER MOD Single : A 15 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot -119:sc= 1.18 USER MOD Single : A 19 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 71:sc= 0.96 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 130:sc= -0.0535 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.411 (180deg=0.367) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.491 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 31:sc= 0.485 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0269) USER MOD Single : A 62 SER OG : rot 99:sc= 0.613 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 GLN : amide:sc= -0.13 K(o=-0.13,f=-3.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0294 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0.632 (180deg=0.587) USER MOD Single : A 89 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0109) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= 0.686 (180deg=0.406) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.121 (180deg=-0.462) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ANW OAV : rot 60:sc= 0.547 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -176:sc= -0.223 (180deg=-0.274) USER MOD Single : B 7 THR OG1 : rot 94:sc= 0.906 USER MOD Single : B 12 SER OG : rot 66:sc= 1.17 USER MOD Single : B 15 THR OG1 : rot 73:sc= 1.3 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0115) USER MOD Single : B 32 SER OG : rot -120:sc= 0 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ -146:sc= 0.0177 (180deg=0.000399) USER MOD Single : B 43 THR OG1 : rot 77:sc= 1.04 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.206 K(o=-0.21,f=-3.8!) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : B 51 LYS NZ :NH3+ 169:sc= 0.533 (180deg=0.464) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -129:sc= 0.455 (180deg=0) USER MOD Single : B 60 MET CE :methyl 173:sc= 0 (180deg=-0.049) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 93:sc= 0.191 USER MOD Single : B 66 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0679) USER MOD Single : B 74 ASN : amide:sc= -0.0681 X(o=-0.068,f=0.053) USER MOD Single : B 76 TYR OH : rot 180:sc= -0.0348 USER MOD Single : B 85 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.15) USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ -140:sc=-0.00258 (180deg=-0.228) USER MOD Single : B 91 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000728) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 170:sc=-0.00697 (180deg=-0.108) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 ANW OAV : rot 166:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.738 16.967 7.154 1.00 1.04 N ATOM 2 CA MET A 1 7.662 15.840 6.798 1.00 0.91 C ATOM 3 C MET A 1 7.665 14.704 7.855 1.00 0.73 C ATOM 4 O MET A 1 8.215 13.629 7.591 1.00 0.96 O ATOM 5 CB MET A 1 9.095 16.368 6.554 1.00 1.31 C ATOM 6 CG MET A 1 9.800 16.941 7.790 1.00 1.57 C ATOM 7 SD MET A 1 11.381 17.730 7.407 1.00 2.18 S ATOM 8 CE MET A 1 12.344 16.338 6.815 1.00 2.71 C ATOM 0 H1 MET A 1 6.815 17.718 6.439 1.00 1.04 H new ATOM 0 H2 MET A 1 5.759 16.617 7.184 1.00 1.04 H new ATOM 0 H3 MET A 1 6.998 17.348 8.086 1.00 1.04 H new ATOM 0 HA MET A 1 7.283 15.402 5.875 1.00 0.91 H new ATOM 0 HB2 MET A 1 9.701 15.555 6.154 1.00 1.31 H new ATOM 0 HB3 MET A 1 9.054 17.142 5.788 1.00 1.31 H new ATOM 0 HG2 MET A 1 9.145 17.669 8.269 1.00 1.57 H new ATOM 0 HG3 MET A 1 9.966 16.139 8.510 1.00 1.57 H new ATOM 0 HE1 MET A 1 13.318 16.335 7.305 1.00 2.71 H new ATOM 0 HE2 MET A 1 11.820 15.410 7.043 1.00 2.71 H new ATOM 0 HE3 MET A 1 12.480 16.422 5.737 1.00 2.71 H new ATOM 20 N ALA A 2 7.053 14.941 9.037 1.00 0.77 N ATOM 21 CA ALA A 2 6.981 13.936 10.113 1.00 0.71 C ATOM 22 C ALA A 2 5.623 13.210 10.077 1.00 0.59 C ATOM 23 O ALA A 2 4.652 13.745 9.530 1.00 0.68 O ATOM 24 CB ALA A 2 7.201 14.604 11.470 1.00 1.02 C ATOM 0 H ALA A 2 6.601 15.826 9.267 1.00 0.77 H new ATOM 0 HA ALA A 2 7.767 13.197 9.959 1.00 0.71 H new ATOM 0 HB1 ALA A 2 7.146 13.853 12.258 1.00 1.02 H new ATOM 0 HB2 ALA A 2 8.183 15.077 11.488 1.00 1.02 H new ATOM 0 HB3 ALA A 2 6.431 15.359 11.633 1.00 1.02 H new ATOM 30 N ALA A 3 5.558 11.997 10.662 1.00 0.56 N ATOM 31 CA ALA A 3 4.322 11.195 10.682 1.00 0.54 C ATOM 32 C ALA A 3 3.814 10.964 12.114 1.00 0.55 C ATOM 33 O ALA A 3 4.539 10.417 12.957 1.00 0.70 O ATOM 34 CB ALA A 3 4.551 9.865 9.969 1.00 0.66 C ATOM 0 H ALA A 3 6.349 11.552 11.127 1.00 0.56 H new ATOM 0 HA ALA A 3 3.550 11.755 10.153 1.00 0.54 H new ATOM 0 HB1 ALA A 3 3.632 9.279 9.989 1.00 0.66 H new ATOM 0 HB2 ALA A 3 4.840 10.052 8.935 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.344 9.313 10.474 1.00 0.66 H new ATOM 40 N GLU A 4 2.557 11.391 12.375 1.00 0.52 N ATOM 41 CA GLU A 4 1.907 11.245 13.693 1.00 0.55 C ATOM 42 C GLU A 4 0.618 10.389 13.569 1.00 0.52 C ATOM 43 O GLU A 4 -0.134 10.572 12.605 1.00 0.50 O ATOM 44 CB GLU A 4 1.575 12.644 14.256 1.00 0.61 C ATOM 45 CG GLU A 4 0.990 12.643 15.668 1.00 0.74 C ATOM 46 CD GLU A 4 0.827 14.040 16.242 1.00 0.86 C ATOM 47 OE1 GLU A 4 -0.019 14.801 15.725 1.00 0.94 O ATOM 48 OE2 GLU A 4 1.546 14.371 17.209 1.00 1.02 O ATOM 0 H GLU A 4 1.968 11.845 11.677 1.00 0.52 H new ATOM 0 HA GLU A 4 2.587 10.736 14.376 1.00 0.55 H new ATOM 0 HB2 GLU A 4 2.484 13.246 14.255 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.868 13.132 13.585 1.00 0.61 H new ATOM 0 HG2 GLU A 4 0.020 12.146 15.653 1.00 0.74 H new ATOM 0 HG3 GLU A 4 1.637 12.060 16.323 1.00 0.74 H new ATOM 55 N PRO A 5 0.323 9.454 14.540 1.00 0.57 N ATOM 56 CA PRO A 5 -0.880 8.605 14.484 1.00 0.59 C ATOM 57 C PRO A 5 -2.129 9.282 15.087 1.00 0.53 C ATOM 58 O PRO A 5 -2.036 9.960 16.116 1.00 0.59 O ATOM 59 CB PRO A 5 -0.472 7.363 15.298 1.00 0.74 C ATOM 60 CG PRO A 5 0.599 7.818 16.243 1.00 0.73 C ATOM 61 CD PRO A 5 1.120 9.154 15.757 1.00 0.67 C ATOM 0 HA PRO A 5 -1.172 8.382 13.458 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -1.325 6.956 15.842 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.104 6.572 14.644 1.00 0.74 H new ATOM 0 HG2 PRO A 5 0.201 7.910 17.254 1.00 0.73 H new ATOM 0 HG3 PRO A 5 1.406 7.087 16.284 1.00 0.73 H new ATOM 0 HD2 PRO A 5 0.992 9.927 16.514 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.185 9.104 15.530 1.00 0.67 H new ATOM 69 N LEU A 6 -3.294 9.081 14.432 1.00 0.58 N ATOM 70 CA LEU A 6 -4.576 9.664 14.878 1.00 0.67 C ATOM 71 C LEU A 6 -5.706 8.608 14.863 1.00 0.71 C ATOM 72 O LEU A 6 -6.330 8.357 15.898 1.00 1.19 O ATOM 73 CB LEU A 6 -4.951 10.868 13.985 1.00 0.84 C ATOM 74 CG LEU A 6 -3.962 12.060 13.998 1.00 0.91 C ATOM 75 CD1 LEU A 6 -4.265 13.019 12.843 1.00 1.14 C ATOM 76 CD2 LEU A 6 -4.010 12.801 15.338 1.00 1.03 C ATOM 0 H LEU A 6 -3.371 8.515 13.587 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.454 10.008 15.905 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -5.050 10.516 12.958 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -5.931 11.232 14.293 1.00 0.84 H new ATOM 0 HG LEU A 6 -2.955 11.665 13.868 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -3.561 13.851 12.867 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -4.169 12.489 11.895 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -5.281 13.401 12.944 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -3.306 13.633 15.319 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -5.017 13.182 15.507 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -3.741 12.116 16.142 1.00 1.03 H new ATOM 88 N THR A 7 -5.959 8.004 13.680 1.00 0.52 N ATOM 89 CA THR A 7 -7.001 6.972 13.502 1.00 0.52 C ATOM 90 C THR A 7 -6.347 5.583 13.328 1.00 0.49 C ATOM 91 O THR A 7 -5.176 5.499 12.952 1.00 0.56 O ATOM 92 CB THR A 7 -7.907 7.310 12.272 1.00 0.58 C ATOM 93 OG1 THR A 7 -8.376 8.663 12.376 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.118 6.375 12.160 1.00 0.94 C ATOM 0 H THR A 7 -5.447 8.219 12.825 1.00 0.52 H new ATOM 0 HA THR A 7 -7.630 6.954 14.392 1.00 0.52 H new ATOM 0 HB THR A 7 -7.296 7.177 11.379 1.00 0.58 H new ATOM 0 HG1 THR A 7 -7.852 9.238 11.779 1.00 0.98 H new ATOM 0 HG21 THR A 7 -9.713 6.653 11.290 1.00 0.94 H new ATOM 0 HG22 THR A 7 -8.775 5.346 12.051 1.00 0.94 H new ATOM 0 HG23 THR A 7 -9.728 6.460 13.059 1.00 0.94 H new ATOM 102 N GLU A 8 -7.111 4.500 13.608 1.00 0.51 N ATOM 103 CA GLU A 8 -6.610 3.109 13.489 1.00 0.50 C ATOM 104 C GLU A 8 -6.081 2.799 12.072 1.00 0.46 C ATOM 105 O GLU A 8 -5.010 2.203 11.939 1.00 0.48 O ATOM 106 CB GLU A 8 -7.714 2.098 13.882 1.00 0.55 C ATOM 107 CG GLU A 8 -7.209 0.673 14.137 1.00 0.91 C ATOM 108 CD GLU A 8 -8.340 -0.329 14.326 1.00 0.95 C ATOM 109 OE1 GLU A 8 -8.889 -0.802 13.308 1.00 1.42 O ATOM 110 OE2 GLU A 8 -8.675 -0.639 15.489 1.00 1.14 O ATOM 0 H GLU A 8 -8.080 4.564 13.919 1.00 0.51 H new ATOM 0 HA GLU A 8 -5.772 3.010 14.179 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.216 2.458 14.780 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.461 2.069 13.089 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -6.587 0.358 13.300 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.575 0.670 15.024 1.00 0.91 H new ATOM 117 N LEU A 9 -6.833 3.206 11.023 1.00 0.45 N ATOM 118 CA LEU A 9 -6.419 2.970 9.623 1.00 0.44 C ATOM 119 C LEU A 9 -5.223 3.863 9.229 1.00 0.42 C ATOM 120 O LEU A 9 -4.403 3.457 8.401 1.00 0.43 O ATOM 121 CB LEU A 9 -7.600 3.171 8.646 1.00 0.48 C ATOM 122 CG LEU A 9 -8.820 2.233 8.844 1.00 0.56 C ATOM 123 CD1 LEU A 9 -9.917 2.572 7.835 1.00 0.65 C ATOM 124 CD2 LEU A 9 -8.422 0.751 8.739 1.00 0.65 C ATOM 0 H LEU A 9 -7.723 3.696 11.120 1.00 0.45 H new ATOM 0 HA LEU A 9 -6.097 1.931 9.552 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -7.943 4.202 8.731 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -7.229 3.041 7.629 1.00 0.48 H new ATOM 0 HG LEU A 9 -9.205 2.394 9.851 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.767 1.907 7.985 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -10.235 3.605 7.977 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -9.532 2.447 6.823 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -9.304 0.126 8.883 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -7.997 0.557 7.754 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.683 0.518 9.505 1.00 0.65 H new ATOM 136 N GLU A 10 -5.130 5.081 9.815 1.00 0.42 N ATOM 137 CA GLU A 10 -3.992 5.990 9.557 1.00 0.44 C ATOM 138 C GLU A 10 -2.727 5.474 10.269 1.00 0.44 C ATOM 139 O GLU A 10 -1.615 5.654 9.766 1.00 0.48 O ATOM 140 CB GLU A 10 -4.292 7.427 10.020 1.00 0.49 C ATOM 141 CG GLU A 10 -5.377 8.130 9.213 1.00 0.54 C ATOM 142 CD GLU A 10 -5.543 9.590 9.602 1.00 0.63 C ATOM 143 OE1 GLU A 10 -4.747 10.426 9.124 1.00 1.03 O ATOM 144 OE2 GLU A 10 -6.464 9.894 10.389 1.00 0.96 O ATOM 0 H GLU A 10 -5.824 5.452 10.464 1.00 0.42 H new ATOM 0 HA GLU A 10 -3.827 6.008 8.480 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -4.592 7.404 11.068 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -3.375 8.014 9.963 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -5.134 8.066 8.152 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -6.324 7.610 9.355 1.00 0.54 H new ATOM 151 N GLU A 11 -2.910 4.830 11.447 1.00 0.44 N ATOM 152 CA GLU A 11 -1.793 4.265 12.225 1.00 0.46 C ATOM 153 C GLU A 11 -1.191 3.033 11.508 1.00 0.45 C ATOM 154 O GLU A 11 -0.009 2.736 11.690 1.00 0.47 O ATOM 155 CB GLU A 11 -2.255 3.909 13.657 1.00 0.52 C ATOM 156 CG GLU A 11 -1.128 3.489 14.606 1.00 0.61 C ATOM 157 CD GLU A 11 -1.575 3.393 16.057 1.00 0.69 C ATOM 158 OE1 GLU A 11 -2.117 2.335 16.444 1.00 0.81 O ATOM 159 OE2 GLU A 11 -1.381 4.375 16.804 1.00 0.79 O ATOM 0 H GLU A 11 -3.825 4.691 11.876 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.010 5.019 12.301 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -2.769 4.771 14.083 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -2.983 3.100 13.599 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.735 2.523 14.289 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.311 4.207 14.530 1.00 0.61 H new ATOM 166 N SER A 12 -2.009 2.332 10.686 1.00 0.45 N ATOM 167 CA SER A 12 -1.547 1.155 9.921 1.00 0.47 C ATOM 168 C SER A 12 -0.432 1.540 8.928 1.00 0.44 C ATOM 169 O SER A 12 0.554 0.814 8.795 1.00 0.49 O ATOM 170 CB SER A 12 -2.719 0.497 9.175 1.00 0.52 C ATOM 171 OG SER A 12 -3.701 0.021 10.081 1.00 0.63 O ATOM 0 H SER A 12 -2.991 2.564 10.538 1.00 0.45 H new ATOM 0 HA SER A 12 -1.138 0.437 10.632 1.00 0.47 H new ATOM 0 HB2 SER A 12 -3.169 1.217 8.492 1.00 0.52 H new ATOM 0 HB3 SER A 12 -2.349 -0.329 8.568 1.00 0.52 H new ATOM 0 HG SER A 12 -4.034 0.766 10.624 1.00 0.63 H new ATOM 177 N ILE A 13 -0.599 2.687 8.234 1.00 0.42 N ATOM 178 CA ILE A 13 0.414 3.189 7.277 1.00 0.43 C ATOM 179 C ILE A 13 1.461 4.107 7.963 1.00 0.41 C ATOM 180 O ILE A 13 2.501 4.398 7.366 1.00 0.46 O ATOM 181 CB ILE A 13 -0.214 3.916 6.030 1.00 0.47 C ATOM 182 CG1 ILE A 13 -1.206 5.056 6.413 1.00 0.46 C ATOM 183 CG2 ILE A 13 -0.892 2.900 5.108 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.557 6.403 6.705 1.00 0.44 C ATOM 0 H ILE A 13 -1.423 3.282 8.318 1.00 0.42 H new ATOM 0 HA ILE A 13 0.923 2.299 6.908 1.00 0.43 H new ATOM 0 HB ILE A 13 0.611 4.394 5.502 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -1.921 5.183 5.600 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.772 4.745 7.291 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -1.322 3.417 4.250 1.00 0.56 H new ATOM 0 HG22 ILE A 13 -0.156 2.174 4.763 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.682 2.384 5.654 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.327 7.130 6.961 1.00 0.44 H new ATOM 0 HD12 ILE A 13 0.136 6.299 7.540 1.00 0.44 H new ATOM 0 HD13 ILE A 13 -0.015 6.744 5.823 1.00 0.44 H new ATOM 196 N GLU A 14 1.185 4.559 9.211 1.00 0.39 N ATOM 197 CA GLU A 14 2.117 5.422 9.975 1.00 0.40 C ATOM 198 C GLU A 14 3.196 4.574 10.678 1.00 0.41 C ATOM 199 O GLU A 14 4.374 4.940 10.664 1.00 0.44 O ATOM 200 CB GLU A 14 1.334 6.262 11.014 1.00 0.43 C ATOM 201 CG GLU A 14 2.158 7.299 11.793 1.00 0.52 C ATOM 202 CD GLU A 14 2.882 6.724 13.005 1.00 0.61 C ATOM 203 OE1 GLU A 14 2.200 6.294 13.957 1.00 0.93 O ATOM 204 OE2 GLU A 14 4.126 6.705 12.997 1.00 1.00 O ATOM 0 H GLU A 14 0.323 4.339 9.710 1.00 0.39 H new ATOM 0 HA GLU A 14 2.613 6.096 9.277 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.526 6.781 10.499 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.872 5.582 11.729 1.00 0.43 H new ATOM 0 HG2 GLU A 14 2.891 7.746 11.121 1.00 0.52 H new ATOM 0 HG3 GLU A 14 1.498 8.101 12.123 1.00 0.52 H new ATOM 211 N THR A 15 2.779 3.439 11.291 1.00 0.42 N ATOM 212 CA THR A 15 3.699 2.523 12.008 1.00 0.45 C ATOM 213 C THR A 15 4.804 1.961 11.081 1.00 0.43 C ATOM 214 O THR A 15 5.931 1.748 11.528 1.00 0.45 O ATOM 215 CB THR A 15 2.918 1.349 12.675 1.00 0.50 C ATOM 216 OG1 THR A 15 1.849 1.873 13.478 1.00 0.65 O ATOM 217 CG2 THR A 15 3.814 0.479 13.561 1.00 0.77 C ATOM 0 H THR A 15 1.805 3.135 11.303 1.00 0.42 H new ATOM 0 HA THR A 15 4.183 3.114 12.785 1.00 0.45 H new ATOM 0 HB THR A 15 2.531 0.726 11.869 1.00 0.50 H new ATOM 0 HG1 THR A 15 1.091 2.105 12.902 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.222 -0.323 14.001 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.615 0.050 12.959 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.244 1.090 14.355 1.00 0.77 H new ATOM 225 N VAL A 16 4.472 1.729 9.792 1.00 0.41 N ATOM 226 CA VAL A 16 5.441 1.216 8.798 1.00 0.42 C ATOM 227 C VAL A 16 6.524 2.282 8.468 1.00 0.42 C ATOM 228 O VAL A 16 7.644 1.925 8.085 1.00 0.46 O ATOM 229 CB VAL A 16 4.722 0.748 7.479 1.00 0.44 C ATOM 230 CG1 VAL A 16 5.714 0.212 6.434 1.00 0.50 C ATOM 231 CG2 VAL A 16 3.656 -0.312 7.786 1.00 0.49 C ATOM 0 H VAL A 16 3.538 1.889 9.415 1.00 0.41 H new ATOM 0 HA VAL A 16 5.930 0.350 9.244 1.00 0.42 H new ATOM 0 HB VAL A 16 4.239 1.628 7.054 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.170 -0.099 5.542 1.00 0.50 H new ATOM 0 HG12 VAL A 16 6.425 0.996 6.171 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.251 -0.642 6.847 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.172 -0.621 6.859 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.127 -1.176 8.255 1.00 0.49 H new ATOM 0 HG23 VAL A 16 2.911 0.107 8.462 1.00 0.49 H new ATOM 241 N VAL A 17 6.184 3.584 8.633 1.00 0.42 N ATOM 242 CA VAL A 17 7.114 4.693 8.345 1.00 0.47 C ATOM 243 C VAL A 17 8.080 4.957 9.524 1.00 0.55 C ATOM 244 O VAL A 17 9.250 4.608 9.432 1.00 0.95 O ATOM 245 CB VAL A 17 6.343 6.012 7.957 1.00 0.51 C ATOM 246 CG1 VAL A 17 7.293 7.191 7.681 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.430 5.774 6.748 1.00 0.52 C ATOM 0 H VAL A 17 5.269 3.888 8.965 1.00 0.42 H new ATOM 0 HA VAL A 17 7.711 4.384 7.487 1.00 0.47 H new ATOM 0 HB VAL A 17 5.733 6.282 8.819 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.710 8.074 7.418 1.00 0.60 H new ATOM 0 HG12 VAL A 17 7.884 7.398 8.573 1.00 0.60 H new ATOM 0 HG13 VAL A 17 7.958 6.937 6.856 1.00 0.60 H new ATOM 0 HG21 VAL A 17 4.908 6.698 6.499 1.00 0.52 H new ATOM 0 HG22 VAL A 17 6.030 5.455 5.896 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.702 5.000 6.989 1.00 0.52 H new ATOM 257 N THR A 18 7.576 5.534 10.639 1.00 0.47 N ATOM 258 CA THR A 18 8.419 5.899 11.810 1.00 0.51 C ATOM 259 C THR A 18 9.335 4.762 12.326 1.00 0.51 C ATOM 260 O THR A 18 10.463 5.034 12.741 1.00 0.60 O ATOM 261 CB THR A 18 7.566 6.421 13.004 1.00 0.56 C ATOM 262 OG1 THR A 18 6.574 5.452 13.369 1.00 0.57 O ATOM 263 CG2 THR A 18 6.885 7.748 12.681 1.00 0.62 C ATOM 0 H THR A 18 6.588 5.759 10.756 1.00 0.47 H new ATOM 0 HA THR A 18 9.061 6.691 11.425 1.00 0.51 H new ATOM 0 HB THR A 18 8.247 6.584 13.839 1.00 0.56 H new ATOM 0 HG1 THR A 18 5.681 5.841 13.259 1.00 0.57 H new ATOM 0 HG21 THR A 18 6.301 8.076 13.541 1.00 0.62 H new ATOM 0 HG22 THR A 18 7.641 8.498 12.449 1.00 0.62 H new ATOM 0 HG23 THR A 18 6.226 7.619 11.822 1.00 0.62 H new ATOM 271 N THR A 19 8.855 3.504 12.288 1.00 0.49 N ATOM 272 CA THR A 19 9.626 2.337 12.784 1.00 0.53 C ATOM 273 C THR A 19 10.910 2.069 11.963 1.00 0.53 C ATOM 274 O THR A 19 11.958 1.780 12.551 1.00 0.62 O ATOM 275 CB THR A 19 8.734 1.061 12.822 1.00 0.55 C ATOM 276 OG1 THR A 19 7.562 1.324 13.604 1.00 0.56 O ATOM 277 CG2 THR A 19 9.452 -0.154 13.420 1.00 0.66 C ATOM 0 H THR A 19 7.935 3.265 11.919 1.00 0.49 H new ATOM 0 HA THR A 19 9.942 2.586 13.797 1.00 0.53 H new ATOM 0 HB THR A 19 8.481 0.823 11.789 1.00 0.55 H new ATOM 0 HG1 THR A 19 6.837 1.624 13.016 1.00 0.56 H new ATOM 0 HG21 THR A 19 8.779 -1.011 13.419 1.00 0.66 H new ATOM 0 HG22 THR A 19 10.335 -0.385 12.824 1.00 0.66 H new ATOM 0 HG23 THR A 19 9.754 0.069 14.443 1.00 0.66 H new ATOM 285 N PHE A 20 10.829 2.159 10.615 1.00 0.53 N ATOM 286 CA PHE A 20 11.999 1.902 9.744 1.00 0.57 C ATOM 287 C PHE A 20 12.648 3.194 9.202 1.00 0.57 C ATOM 288 O PHE A 20 13.860 3.205 8.966 1.00 0.89 O ATOM 289 CB PHE A 20 11.605 0.975 8.571 1.00 0.64 C ATOM 290 CG PHE A 20 12.779 0.520 7.718 1.00 0.71 C ATOM 291 CD1 PHE A 20 13.812 -0.233 8.267 1.00 0.83 C ATOM 292 CD2 PHE A 20 12.856 0.859 6.371 1.00 0.76 C ATOM 293 CE1 PHE A 20 14.884 -0.635 7.495 1.00 0.95 C ATOM 294 CE2 PHE A 20 13.930 0.457 5.598 1.00 0.86 C ATOM 295 CZ PHE A 20 14.943 -0.290 6.161 1.00 0.93 C ATOM 0 H PHE A 20 9.976 2.405 10.112 1.00 0.53 H new ATOM 0 HA PHE A 20 12.746 1.411 10.368 1.00 0.57 H new ATOM 0 HB2 PHE A 20 11.098 0.097 8.971 1.00 0.64 H new ATOM 0 HB3 PHE A 20 10.888 1.495 7.936 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.775 -0.507 9.311 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.066 1.444 5.923 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.677 -1.220 7.936 1.00 0.95 H new ATOM 0 HE2 PHE A 20 13.975 0.728 4.554 1.00 0.86 H new ATOM 0 HZ PHE A 20 15.782 -0.605 5.558 1.00 0.93 H new ATOM 305 N PHE A 21 11.863 4.277 9.002 1.00 0.71 N ATOM 306 CA PHE A 21 12.410 5.551 8.471 1.00 0.73 C ATOM 307 C PHE A 21 13.449 6.203 9.410 1.00 0.66 C ATOM 308 O PHE A 21 14.219 7.053 8.957 1.00 0.67 O ATOM 309 CB PHE A 21 11.287 6.552 8.089 1.00 1.04 C ATOM 310 CG PHE A 21 10.818 6.399 6.649 1.00 1.67 C ATOM 311 CD1 PHE A 21 10.210 5.220 6.217 1.00 1.97 C ATOM 312 CD2 PHE A 21 11.011 7.420 5.722 1.00 2.34 C ATOM 313 CE1 PHE A 21 9.808 5.071 4.903 1.00 2.74 C ATOM 314 CE2 PHE A 21 10.613 7.269 4.407 1.00 3.02 C ATOM 315 CZ PHE A 21 10.011 6.096 3.999 1.00 3.17 C ATOM 0 H PHE A 21 10.862 4.298 9.197 1.00 0.71 H new ATOM 0 HA PHE A 21 12.942 5.286 7.558 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.439 6.410 8.759 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.647 7.569 8.242 1.00 1.04 H new ATOM 0 HD1 PHE A 21 10.051 4.414 6.918 1.00 1.97 H new ATOM 0 HD2 PHE A 21 11.478 8.342 6.035 1.00 2.34 H new ATOM 0 HE1 PHE A 21 9.336 4.154 4.583 1.00 2.74 H new ATOM 0 HE2 PHE A 21 10.773 8.069 3.699 1.00 3.02 H new ATOM 0 HZ PHE A 21 9.698 5.979 2.972 1.00 3.17 H new ATOM 325 N THR A 22 13.483 5.801 10.707 1.00 0.75 N ATOM 326 CA THR A 22 14.481 6.323 11.667 1.00 0.89 C ATOM 327 C THR A 22 15.912 5.937 11.220 1.00 0.82 C ATOM 328 O THR A 22 16.852 6.709 11.426 1.00 0.97 O ATOM 329 CB THR A 22 14.219 5.796 13.114 1.00 1.11 C ATOM 330 OG1 THR A 22 12.848 6.021 13.479 1.00 1.25 O ATOM 331 CG2 THR A 22 15.127 6.463 14.155 1.00 1.37 C ATOM 0 H THR A 22 12.835 5.122 11.106 1.00 0.75 H new ATOM 0 HA THR A 22 14.386 7.409 11.680 1.00 0.89 H new ATOM 0 HB THR A 22 14.443 4.729 13.107 1.00 1.11 H new ATOM 0 HG1 THR A 22 12.271 5.411 12.974 1.00 1.25 H new ATOM 0 HG21 THR A 22 14.904 6.061 15.143 1.00 1.37 H new ATOM 0 HG22 THR A 22 16.170 6.264 13.909 1.00 1.37 H new ATOM 0 HG23 THR A 22 14.953 7.539 14.153 1.00 1.37 H new ATOM 339 N PHE A 23 16.052 4.740 10.606 1.00 0.69 N ATOM 340 CA PHE A 23 17.342 4.236 10.101 1.00 0.76 C ATOM 341 C PHE A 23 17.497 4.492 8.586 1.00 0.69 C ATOM 342 O PHE A 23 18.625 4.513 8.077 1.00 0.82 O ATOM 343 CB PHE A 23 17.475 2.725 10.395 1.00 0.87 C ATOM 344 CG PHE A 23 17.723 2.405 11.854 1.00 1.04 C ATOM 345 CD1 PHE A 23 16.669 2.339 12.761 1.00 1.01 C ATOM 346 CD2 PHE A 23 19.010 2.175 12.320 1.00 1.34 C ATOM 347 CE1 PHE A 23 16.899 2.050 14.092 1.00 1.24 C ATOM 348 CE2 PHE A 23 19.243 1.887 13.650 1.00 1.55 C ATOM 349 CZ PHE A 23 18.185 1.824 14.537 1.00 1.49 C ATOM 0 H PHE A 23 15.273 4.100 10.449 1.00 0.69 H new ATOM 0 HA PHE A 23 18.135 4.777 10.617 1.00 0.76 H new ATOM 0 HB2 PHE A 23 16.565 2.220 10.072 1.00 0.87 H new ATOM 0 HB3 PHE A 23 18.293 2.319 9.800 1.00 0.87 H new ATOM 0 HD1 PHE A 23 15.660 2.516 12.420 1.00 1.01 H new ATOM 0 HD2 PHE A 23 19.841 2.222 11.632 1.00 1.34 H new ATOM 0 HE1 PHE A 23 16.072 2.001 14.785 1.00 1.24 H new ATOM 0 HE2 PHE A 23 20.251 1.711 13.997 1.00 1.55 H new ATOM 0 HZ PHE A 23 18.365 1.598 15.578 1.00 1.49 H new ATOM 359 N ALA A 24 16.367 4.680 7.866 1.00 0.59 N ATOM 360 CA ALA A 24 16.382 4.919 6.406 1.00 0.67 C ATOM 361 C ALA A 24 16.762 6.367 6.016 1.00 0.62 C ATOM 362 O ALA A 24 17.123 6.611 4.859 1.00 0.83 O ATOM 363 CB ALA A 24 15.026 4.557 5.798 1.00 0.82 C ATOM 0 H ALA A 24 15.432 4.671 8.274 1.00 0.59 H new ATOM 0 HA ALA A 24 17.162 4.274 6.002 1.00 0.67 H new ATOM 0 HB1 ALA A 24 15.049 4.737 4.723 1.00 0.82 H new ATOM 0 HB2 ALA A 24 14.813 3.505 5.985 1.00 0.82 H new ATOM 0 HB3 ALA A 24 14.248 5.171 6.252 1.00 0.82 H new ATOM 369 N ARG A 25 16.699 7.319 6.977 1.00 0.61 N ATOM 370 CA ARG A 25 17.024 8.742 6.713 1.00 0.65 C ATOM 371 C ARG A 25 18.532 9.073 6.900 1.00 0.69 C ATOM 372 O ARG A 25 18.915 10.247 6.823 1.00 0.88 O ATOM 373 CB ARG A 25 16.152 9.664 7.607 1.00 0.75 C ATOM 374 CG ARG A 25 16.388 9.520 9.118 1.00 0.78 C ATOM 375 CD ARG A 25 15.466 10.424 9.939 1.00 0.97 C ATOM 376 NE ARG A 25 15.611 10.187 11.388 1.00 1.09 N ATOM 377 CZ ARG A 25 15.518 11.128 12.357 1.00 1.32 C ATOM 378 NH1 ARG A 25 15.267 12.417 12.076 1.00 1.55 N ATOM 379 NH2 ARG A 25 15.677 10.765 13.630 1.00 1.47 N ATOM 0 H ARG A 25 16.426 7.128 7.941 1.00 0.61 H new ATOM 0 HA ARG A 25 16.797 8.925 5.663 1.00 0.65 H new ATOM 0 HB2 ARG A 25 16.337 10.700 7.323 1.00 0.75 H new ATOM 0 HB3 ARG A 25 15.102 9.459 7.398 1.00 0.75 H new ATOM 0 HG2 ARG A 25 16.230 8.482 9.411 1.00 0.78 H new ATOM 0 HG3 ARG A 25 17.426 9.761 9.346 1.00 0.78 H new ATOM 0 HD2 ARG A 25 15.690 11.468 9.718 1.00 0.97 H new ATOM 0 HD3 ARG A 25 14.431 10.250 9.644 1.00 0.97 H new ATOM 0 HE ARG A 25 15.798 9.230 11.686 1.00 1.09 H new ATOM 0 HH11 ARG A 25 15.140 12.713 11.108 1.00 1.55 H new ATOM 0 HH12 ARG A 25 15.203 13.100 12.831 1.00 1.55 H new ATOM 0 HH21 ARG A 25 15.866 9.790 13.863 1.00 1.47 H new ATOM 0 HH22 ARG A 25 15.610 11.462 14.371 1.00 1.47 H new ATOM 393 N GLN A 26 19.384 8.045 7.128 1.00 0.73 N ATOM 394 CA GLN A 26 20.836 8.239 7.329 1.00 0.84 C ATOM 395 C GLN A 26 21.577 8.503 5.996 1.00 0.78 C ATOM 396 O GLN A 26 22.584 9.219 5.986 1.00 0.89 O ATOM 397 CB GLN A 26 21.430 7.003 8.045 1.00 1.01 C ATOM 398 CG GLN A 26 22.865 7.177 8.551 1.00 1.22 C ATOM 399 CD GLN A 26 23.319 6.027 9.446 1.00 1.49 C ATOM 400 OE1 GLN A 26 23.864 5.038 8.958 1.00 1.63 O ATOM 401 NE2 GLN A 26 23.097 6.144 10.759 1.00 1.80 N ATOM 0 H GLN A 26 19.087 7.070 7.177 1.00 0.73 H new ATOM 0 HA GLN A 26 20.975 9.123 7.951 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.791 6.749 8.891 1.00 1.01 H new ATOM 0 HB3 GLN A 26 21.402 6.156 7.359 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.539 7.256 7.698 1.00 1.22 H new ATOM 0 HG3 GLN A 26 22.940 8.113 9.104 1.00 1.22 H new ATOM 0 HE21 GLN A 26 22.642 6.980 11.127 1.00 1.80 H new ATOM 0 HE22 GLN A 26 23.383 5.398 11.393 1.00 1.80 H new ATOM 410 N GLU A 27 21.074 7.922 4.881 1.00 0.70 N ATOM 411 CA GLU A 27 21.693 8.081 3.550 1.00 0.76 C ATOM 412 C GLU A 27 20.667 8.546 2.501 1.00 0.93 C ATOM 413 O GLU A 27 19.538 8.047 2.477 1.00 1.59 O ATOM 414 CB GLU A 27 22.320 6.747 3.085 1.00 0.92 C ATOM 415 CG GLU A 27 23.364 6.149 4.036 1.00 1.09 C ATOM 416 CD GLU A 27 24.617 7.003 4.176 1.00 1.27 C ATOM 417 OE1 GLU A 27 25.386 7.095 3.194 1.00 1.52 O ATOM 418 OE2 GLU A 27 24.826 7.578 5.264 1.00 1.46 O ATOM 0 H GLU A 27 20.238 7.338 4.881 1.00 0.70 H new ATOM 0 HA GLU A 27 22.467 8.842 3.642 1.00 0.76 H new ATOM 0 HB2 GLU A 27 21.522 6.019 2.944 1.00 0.92 H new ATOM 0 HB3 GLU A 27 22.786 6.903 2.112 1.00 0.92 H new ATOM 0 HG2 GLU A 27 22.914 6.015 5.019 1.00 1.09 H new ATOM 0 HG3 GLU A 27 23.646 5.159 3.677 1.00 1.09 H new ATOM 425 N GLY A 28 21.076 9.502 1.641 1.00 0.79 N ATOM 426 CA GLY A 28 20.227 10.016 0.556 1.00 0.92 C ATOM 427 C GLY A 28 18.817 10.465 0.958 1.00 0.73 C ATOM 428 O GLY A 28 17.894 9.649 0.967 1.00 0.72 O ATOM 0 H GLY A 28 21.999 9.934 1.682 1.00 0.79 H new ATOM 0 HA2 GLY A 28 20.737 10.860 0.092 1.00 0.92 H new ATOM 0 HA3 GLY A 28 20.136 9.241 -0.205 1.00 0.92 H new ATOM 432 N ARG A 29 18.659 11.772 1.283 1.00 0.72 N ATOM 433 CA ARG A 29 17.351 12.384 1.650 1.00 0.71 C ATOM 434 C ARG A 29 16.672 11.730 2.878 1.00 0.68 C ATOM 435 O ARG A 29 17.104 10.679 3.359 1.00 0.76 O ATOM 436 CB ARG A 29 16.386 12.384 0.423 1.00 0.73 C ATOM 437 CG ARG A 29 16.442 13.650 -0.442 1.00 0.92 C ATOM 438 CD ARG A 29 17.791 13.842 -1.138 1.00 1.31 C ATOM 439 NE ARG A 29 17.915 15.169 -1.775 1.00 1.46 N ATOM 440 CZ ARG A 29 18.879 15.519 -2.656 1.00 1.91 C ATOM 441 NH1 ARG A 29 19.825 14.652 -3.044 1.00 2.60 N ATOM 442 NH2 ARG A 29 18.894 16.761 -3.150 1.00 2.05 N ATOM 0 H ARG A 29 19.434 12.435 1.299 1.00 0.72 H new ATOM 0 HA ARG A 29 17.571 13.410 1.944 1.00 0.71 H new ATOM 0 HB2 ARG A 29 16.618 11.523 -0.203 1.00 0.73 H new ATOM 0 HB3 ARG A 29 15.365 12.251 0.782 1.00 0.73 H new ATOM 0 HG2 ARG A 29 15.655 13.604 -1.195 1.00 0.92 H new ATOM 0 HG3 ARG A 29 16.235 14.519 0.183 1.00 0.92 H new ATOM 0 HD2 ARG A 29 18.593 13.715 -0.411 1.00 1.31 H new ATOM 0 HD3 ARG A 29 17.920 13.067 -1.893 1.00 1.31 H new ATOM 0 HE ARG A 29 17.220 15.875 -1.532 1.00 1.46 H new ATOM 0 HH11 ARG A 29 19.829 13.702 -2.673 1.00 2.60 H new ATOM 0 HH12 ARG A 29 20.541 14.942 -3.710 1.00 2.60 H new ATOM 0 HH21 ARG A 29 18.183 17.433 -2.862 1.00 2.05 H new ATOM 0 HH22 ARG A 29 19.616 17.037 -3.815 1.00 2.05 H new ATOM 456 N LYS A 30 15.592 12.383 3.375 1.00 0.67 N ATOM 457 CA LYS A 30 14.824 11.894 4.543 1.00 0.67 C ATOM 458 C LYS A 30 13.624 11.018 4.121 1.00 0.66 C ATOM 459 O LYS A 30 13.275 10.075 4.839 1.00 0.72 O ATOM 460 CB LYS A 30 14.294 13.069 5.406 1.00 0.76 C ATOM 461 CG LYS A 30 15.346 14.081 5.878 1.00 0.82 C ATOM 462 CD LYS A 30 16.352 13.476 6.864 1.00 0.89 C ATOM 463 CE LYS A 30 17.310 14.525 7.432 1.00 1.00 C ATOM 464 NZ LYS A 30 18.303 15.008 6.423 1.00 1.22 N ATOM 0 H LYS A 30 15.234 13.253 2.982 1.00 0.67 H new ATOM 0 HA LYS A 30 15.519 11.291 5.128 1.00 0.67 H new ATOM 0 HB2 LYS A 30 13.536 13.603 4.832 1.00 0.76 H new ATOM 0 HB3 LYS A 30 13.797 12.655 6.283 1.00 0.76 H new ATOM 0 HG2 LYS A 30 15.882 14.471 5.013 1.00 0.82 H new ATOM 0 HG3 LYS A 30 14.845 14.926 6.350 1.00 0.82 H new ATOM 0 HD2 LYS A 30 15.813 12.998 7.682 1.00 0.89 H new ATOM 0 HD3 LYS A 30 16.926 12.697 6.362 1.00 0.89 H new ATOM 0 HE2 LYS A 30 16.735 15.373 7.804 1.00 1.00 H new ATOM 0 HE3 LYS A 30 17.841 14.102 8.285 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 18.926 15.716 6.861 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 18.873 14.206 6.086 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 17.801 15.438 5.620 1.00 1.22 H new ATOM 478 N ASP A 31 12.999 11.330 2.961 1.00 0.66 N ATOM 479 CA ASP A 31 11.811 10.594 2.471 1.00 0.71 C ATOM 480 C ASP A 31 12.195 9.480 1.465 1.00 0.64 C ATOM 481 O ASP A 31 11.858 9.563 0.277 1.00 0.89 O ATOM 482 CB ASP A 31 10.804 11.581 1.826 1.00 0.87 C ATOM 483 CG ASP A 31 10.391 12.721 2.754 1.00 1.03 C ATOM 484 OD1 ASP A 31 9.406 12.553 3.504 1.00 1.38 O ATOM 485 OD2 ASP A 31 11.054 13.781 2.728 1.00 1.43 O ATOM 0 H ASP A 31 13.299 12.087 2.347 1.00 0.66 H new ATOM 0 HA ASP A 31 11.343 10.110 3.328 1.00 0.71 H new ATOM 0 HB2 ASP A 31 11.246 12.000 0.922 1.00 0.87 H new ATOM 0 HB3 ASP A 31 9.914 11.031 1.520 1.00 0.87 H new ATOM 490 N SER A 32 12.898 8.427 1.950 1.00 0.65 N ATOM 491 CA SER A 32 13.323 7.300 1.083 1.00 0.58 C ATOM 492 C SER A 32 13.872 6.103 1.881 1.00 0.56 C ATOM 493 O SER A 32 14.369 6.268 2.999 1.00 0.63 O ATOM 494 CB SER A 32 14.404 7.765 0.087 1.00 0.58 C ATOM 495 OG SER A 32 15.507 8.353 0.759 1.00 1.09 O ATOM 0 H SER A 32 13.180 8.335 2.926 1.00 0.65 H new ATOM 0 HA SER A 32 12.429 6.971 0.554 1.00 0.58 H new ATOM 0 HB2 SER A 32 14.746 6.915 -0.504 1.00 0.58 H new ATOM 0 HB3 SER A 32 13.974 8.485 -0.609 1.00 0.58 H new ATOM 0 HG SER A 32 16.340 7.950 0.436 1.00 1.09 H new ATOM 501 N LEU A 33 13.777 4.894 1.281 1.00 0.54 N ATOM 502 CA LEU A 33 14.308 3.651 1.875 1.00 0.54 C ATOM 503 C LEU A 33 15.649 3.315 1.196 1.00 0.52 C ATOM 504 O LEU A 33 15.785 3.511 -0.016 1.00 0.66 O ATOM 505 CB LEU A 33 13.332 2.458 1.704 1.00 0.55 C ATOM 506 CG LEU A 33 11.961 2.566 2.420 1.00 0.67 C ATOM 507 CD1 LEU A 33 10.961 3.379 1.592 1.00 0.76 C ATOM 508 CD2 LEU A 33 11.400 1.170 2.724 1.00 0.75 C ATOM 0 H LEU A 33 13.331 4.756 0.374 1.00 0.54 H new ATOM 0 HA LEU A 33 14.441 3.814 2.945 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.148 2.320 0.638 1.00 0.55 H new ATOM 0 HB3 LEU A 33 13.831 1.557 2.061 1.00 0.55 H new ATOM 0 HG LEU A 33 12.118 3.091 3.362 1.00 0.67 H new ATOM 0 HD11 LEU A 33 10.010 3.435 2.122 1.00 0.76 H new ATOM 0 HD12 LEU A 33 11.350 4.385 1.437 1.00 0.76 H new ATOM 0 HD13 LEU A 33 10.810 2.896 0.627 1.00 0.76 H new ATOM 0 HD21 LEU A 33 10.438 1.266 3.227 1.00 0.75 H new ATOM 0 HD22 LEU A 33 11.270 0.619 1.792 1.00 0.75 H new ATOM 0 HD23 LEU A 33 12.094 0.632 3.369 1.00 0.75 H new ATOM 520 N SER A 34 16.634 2.811 1.964 1.00 0.50 N ATOM 521 CA SER A 34 17.962 2.470 1.406 1.00 0.52 C ATOM 522 C SER A 34 17.940 1.108 0.688 1.00 0.47 C ATOM 523 O SER A 34 17.252 0.187 1.130 1.00 0.47 O ATOM 524 CB SER A 34 19.025 2.467 2.515 1.00 0.62 C ATOM 525 OG SER A 34 20.327 2.272 1.985 1.00 0.68 O ATOM 0 H SER A 34 16.540 2.631 2.964 1.00 0.50 H new ATOM 0 HA SER A 34 18.217 3.233 0.670 1.00 0.52 H new ATOM 0 HB2 SER A 34 18.989 3.412 3.058 1.00 0.62 H new ATOM 0 HB3 SER A 34 18.801 1.678 3.233 1.00 0.62 H new ATOM 0 HG SER A 34 20.981 2.277 2.715 1.00 0.68 H new ATOM 531 N VAL A 35 18.705 0.991 -0.424 1.00 0.50 N ATOM 532 CA VAL A 35 18.777 -0.265 -1.216 1.00 0.49 C ATOM 533 C VAL A 35 19.482 -1.414 -0.448 1.00 0.45 C ATOM 534 O VAL A 35 19.229 -2.588 -0.729 1.00 0.46 O ATOM 535 CB VAL A 35 19.459 -0.034 -2.615 1.00 0.59 C ATOM 536 CG1 VAL A 35 20.965 0.258 -2.500 1.00 0.63 C ATOM 537 CG2 VAL A 35 19.205 -1.216 -3.563 1.00 0.64 C ATOM 0 H VAL A 35 19.280 1.748 -0.794 1.00 0.50 H new ATOM 0 HA VAL A 35 17.746 -0.574 -1.386 1.00 0.49 H new ATOM 0 HB VAL A 35 18.993 0.855 -3.040 1.00 0.59 H new ATOM 0 HG11 VAL A 35 21.383 0.409 -3.495 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.117 1.157 -1.902 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.463 -0.585 -2.021 1.00 0.63 H new ATOM 0 HG21 VAL A 35 19.689 -1.025 -4.521 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.613 -2.127 -3.126 1.00 0.64 H new ATOM 0 HG23 VAL A 35 18.132 -1.335 -3.716 1.00 0.64 H new ATOM 547 N ASN A 36 20.373 -1.070 0.504 1.00 0.45 N ATOM 548 CA ASN A 36 21.095 -2.071 1.313 1.00 0.46 C ATOM 549 C ASN A 36 20.274 -2.474 2.560 1.00 0.44 C ATOM 550 O ASN A 36 20.348 -3.627 2.996 1.00 0.55 O ATOM 551 CB ASN A 36 22.484 -1.529 1.728 1.00 0.55 C ATOM 552 CG ASN A 36 23.375 -2.583 2.391 1.00 0.64 C ATOM 553 OD1 ASN A 36 24.135 -3.275 1.714 1.00 0.82 O ATOM 554 ND2 ASN A 36 23.289 -2.709 3.719 1.00 0.77 N ATOM 0 H ASN A 36 20.610 -0.104 0.731 1.00 0.45 H new ATOM 0 HA ASN A 36 21.237 -2.962 0.702 1.00 0.46 H new ATOM 0 HB2 ASN A 36 22.991 -1.138 0.846 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.349 -0.694 2.415 1.00 0.55 H new ATOM 0 HD21 ASN A 36 23.865 -3.397 4.204 1.00 0.77 H new ATOM 0 HD22 ASN A 36 22.647 -2.117 4.247 1.00 0.77 H new ATOM 561 N GLU A 37 19.488 -1.524 3.117 1.00 0.44 N ATOM 562 CA GLU A 37 18.662 -1.780 4.317 1.00 0.46 C ATOM 563 C GLU A 37 17.285 -2.398 3.977 1.00 0.41 C ATOM 564 O GLU A 37 16.678 -3.031 4.847 1.00 0.43 O ATOM 565 CB GLU A 37 18.471 -0.498 5.151 1.00 0.55 C ATOM 566 CG GLU A 37 19.772 0.157 5.614 1.00 0.70 C ATOM 567 CD GLU A 37 19.537 1.396 6.463 1.00 0.83 C ATOM 568 OE1 GLU A 37 19.377 1.250 7.694 1.00 1.54 O ATOM 569 OE2 GLU A 37 19.509 2.509 5.897 1.00 1.25 O ATOM 0 H GLU A 37 19.409 -0.574 2.754 1.00 0.44 H new ATOM 0 HA GLU A 37 19.212 -2.511 4.909 1.00 0.46 H new ATOM 0 HB2 GLU A 37 17.906 0.223 4.561 1.00 0.55 H new ATOM 0 HB3 GLU A 37 17.867 -0.736 6.027 1.00 0.55 H new ATOM 0 HG2 GLU A 37 20.354 -0.565 6.187 1.00 0.70 H new ATOM 0 HG3 GLU A 37 20.368 0.427 4.742 1.00 0.70 H new ATOM 576 N PHE A 38 16.781 -2.207 2.726 1.00 0.40 N ATOM 577 CA PHE A 38 15.479 -2.796 2.311 1.00 0.39 C ATOM 578 C PHE A 38 15.578 -4.337 2.271 1.00 0.37 C ATOM 579 O PHE A 38 14.614 -5.031 2.602 1.00 0.40 O ATOM 580 CB PHE A 38 14.980 -2.194 0.948 1.00 0.43 C ATOM 581 CG PHE A 38 14.905 -3.146 -0.248 1.00 0.41 C ATOM 582 CD1 PHE A 38 16.009 -3.340 -1.076 1.00 0.49 C ATOM 583 CD2 PHE A 38 13.731 -3.836 -0.545 1.00 0.50 C ATOM 584 CE1 PHE A 38 15.944 -4.192 -2.162 1.00 0.61 C ATOM 585 CE2 PHE A 38 13.665 -4.689 -1.632 1.00 0.61 C ATOM 586 CZ PHE A 38 14.773 -4.867 -2.440 1.00 0.65 C ATOM 0 H PHE A 38 17.247 -1.661 2.001 1.00 0.40 H new ATOM 0 HA PHE A 38 14.727 -2.531 3.054 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.988 -1.772 1.107 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.639 -1.367 0.682 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.930 -2.816 -0.866 1.00 0.49 H new ATOM 0 HD2 PHE A 38 12.862 -3.703 0.082 1.00 0.50 H new ATOM 0 HE1 PHE A 38 16.810 -4.330 -2.793 1.00 0.61 H new ATOM 0 HE2 PHE A 38 12.748 -5.216 -1.850 1.00 0.61 H new ATOM 0 HZ PHE A 38 14.722 -5.534 -3.288 1.00 0.65 H new ATOM 596 N LYS A 39 16.762 -4.853 1.868 1.00 0.37 N ATOM 597 CA LYS A 39 17.023 -6.301 1.797 1.00 0.40 C ATOM 598 C LYS A 39 17.180 -6.899 3.209 1.00 0.38 C ATOM 599 O LYS A 39 16.665 -7.993 3.477 1.00 0.42 O ATOM 600 CB LYS A 39 18.284 -6.578 0.953 1.00 0.46 C ATOM 601 CG LYS A 39 18.480 -8.047 0.577 1.00 0.55 C ATOM 602 CD LYS A 39 19.715 -8.255 -0.301 1.00 0.64 C ATOM 603 CE LYS A 39 19.873 -9.713 -0.743 1.00 0.76 C ATOM 604 NZ LYS A 39 18.819 -10.135 -1.716 1.00 0.87 N ATOM 0 H LYS A 39 17.556 -4.278 1.586 1.00 0.37 H new ATOM 0 HA LYS A 39 16.169 -6.779 1.317 1.00 0.40 H new ATOM 0 HB2 LYS A 39 18.233 -5.985 0.040 1.00 0.46 H new ATOM 0 HB3 LYS A 39 19.159 -6.237 1.506 1.00 0.46 H new ATOM 0 HG2 LYS A 39 18.576 -8.644 1.484 1.00 0.55 H new ATOM 0 HG3 LYS A 39 17.596 -8.407 0.050 1.00 0.55 H new ATOM 0 HD2 LYS A 39 19.644 -7.616 -1.181 1.00 0.64 H new ATOM 0 HD3 LYS A 39 20.605 -7.945 0.247 1.00 0.64 H new ATOM 0 HE2 LYS A 39 20.855 -9.847 -1.196 1.00 0.76 H new ATOM 0 HE3 LYS A 39 19.834 -10.361 0.133 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 18.877 -11.162 -1.866 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 17.881 -9.892 -1.338 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 18.965 -9.644 -2.621 1.00 0.87 H new ATOM 618 N GLU A 40 17.900 -6.183 4.104 1.00 0.38 N ATOM 619 CA GLU A 40 18.093 -6.637 5.498 1.00 0.40 C ATOM 620 C GLU A 40 16.755 -6.640 6.265 1.00 0.40 C ATOM 621 O GLU A 40 16.532 -7.507 7.109 1.00 0.44 O ATOM 622 CB GLU A 40 19.129 -5.760 6.233 1.00 0.45 C ATOM 623 CG GLU A 40 20.563 -5.939 5.735 1.00 0.49 C ATOM 624 CD GLU A 40 21.574 -5.144 6.545 1.00 0.59 C ATOM 625 OE1 GLU A 40 21.682 -3.919 6.322 1.00 0.64 O ATOM 626 OE2 GLU A 40 22.252 -5.744 7.405 1.00 0.73 O ATOM 0 H GLU A 40 18.353 -5.295 3.886 1.00 0.38 H new ATOM 0 HA GLU A 40 18.475 -7.657 5.462 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.846 -4.713 6.124 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.094 -5.990 7.298 1.00 0.45 H new ATOM 0 HG2 GLU A 40 20.826 -6.996 5.772 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.620 -5.633 4.690 1.00 0.49 H new ATOM 633 N LEU A 41 15.864 -5.670 5.948 1.00 0.39 N ATOM 634 CA LEU A 41 14.530 -5.572 6.584 1.00 0.41 C ATOM 635 C LEU A 41 13.672 -6.812 6.251 1.00 0.40 C ATOM 636 O LEU A 41 12.941 -7.309 7.111 1.00 0.44 O ATOM 637 CB LEU A 41 13.813 -4.278 6.127 1.00 0.44 C ATOM 638 CG LEU A 41 12.495 -3.918 6.860 1.00 0.55 C ATOM 639 CD1 LEU A 41 12.740 -3.608 8.345 1.00 0.65 C ATOM 640 CD2 LEU A 41 11.796 -2.747 6.165 1.00 0.58 C ATOM 0 H LEU A 41 16.046 -4.944 5.255 1.00 0.39 H new ATOM 0 HA LEU A 41 14.666 -5.534 7.665 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.506 -3.445 6.244 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.597 -4.366 5.062 1.00 0.44 H new ATOM 0 HG LEU A 41 11.840 -4.788 6.813 1.00 0.55 H new ATOM 0 HD11 LEU A 41 11.794 -3.360 8.826 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.177 -4.480 8.832 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.424 -2.764 8.432 1.00 0.65 H new ATOM 0 HD21 LEU A 41 10.873 -2.509 6.694 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.452 -1.877 6.170 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.564 -3.021 5.136 1.00 0.58 H new ATOM 652 N VAL A 42 13.779 -7.301 4.998 1.00 0.36 N ATOM 653 CA VAL A 42 13.037 -8.493 4.539 1.00 0.37 C ATOM 654 C VAL A 42 13.623 -9.790 5.147 1.00 0.38 C ATOM 655 O VAL A 42 12.879 -10.744 5.390 1.00 0.41 O ATOM 656 CB VAL A 42 13.013 -8.580 2.971 1.00 0.40 C ATOM 657 CG1 VAL A 42 12.334 -9.865 2.467 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.315 -7.351 2.375 1.00 0.41 C ATOM 0 H VAL A 42 14.376 -6.886 4.283 1.00 0.36 H new ATOM 0 HA VAL A 42 12.010 -8.390 4.889 1.00 0.37 H new ATOM 0 HB VAL A 42 14.051 -8.605 2.639 1.00 0.40 H new ATOM 0 HG11 VAL A 42 12.343 -9.878 1.377 1.00 0.45 H new ATOM 0 HG12 VAL A 42 12.874 -10.734 2.844 1.00 0.45 H new ATOM 0 HG13 VAL A 42 11.304 -9.895 2.822 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.308 -7.428 1.288 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.290 -7.301 2.742 1.00 0.41 H new ATOM 0 HG23 VAL A 42 12.851 -6.449 2.671 1.00 0.41 H new ATOM 668 N THR A 43 14.954 -9.815 5.392 1.00 0.39 N ATOM 669 CA THR A 43 15.631 -10.994 5.966 1.00 0.42 C ATOM 670 C THR A 43 15.969 -10.798 7.474 1.00 0.49 C ATOM 671 O THR A 43 16.970 -11.336 7.963 1.00 0.80 O ATOM 672 CB THR A 43 16.935 -11.324 5.159 1.00 0.45 C ATOM 673 OG1 THR A 43 16.779 -10.968 3.771 1.00 0.46 O ATOM 674 CG2 THR A 43 17.301 -12.807 5.256 1.00 0.50 C ATOM 0 H THR A 43 15.577 -9.031 5.200 1.00 0.39 H new ATOM 0 HA THR A 43 14.939 -11.833 5.890 1.00 0.42 H new ATOM 0 HB THR A 43 17.739 -10.736 5.601 1.00 0.45 H new ATOM 0 HG1 THR A 43 16.821 -9.993 3.676 1.00 0.46 H new ATOM 0 HG21 THR A 43 18.210 -12.996 4.684 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.467 -13.073 6.300 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.487 -13.410 4.853 1.00 0.50 H new ATOM 682 N GLN A 44 15.129 -10.034 8.218 1.00 0.41 N ATOM 683 CA GLN A 44 15.353 -9.803 9.662 1.00 0.44 C ATOM 684 C GLN A 44 14.027 -9.557 10.420 1.00 0.44 C ATOM 685 O GLN A 44 13.690 -10.328 11.324 1.00 0.50 O ATOM 686 CB GLN A 44 16.338 -8.630 9.884 1.00 0.48 C ATOM 687 CG GLN A 44 16.845 -8.492 11.323 1.00 0.65 C ATOM 688 CD GLN A 44 17.875 -7.382 11.482 1.00 0.77 C ATOM 689 OE1 GLN A 44 19.072 -7.610 11.307 1.00 1.02 O ATOM 690 NE2 GLN A 44 17.420 -6.174 11.818 1.00 1.10 N ATOM 0 H GLN A 44 14.300 -9.573 7.844 1.00 0.41 H new ATOM 0 HA GLN A 44 15.797 -10.711 10.071 1.00 0.44 H new ATOM 0 HB2 GLN A 44 17.194 -8.760 9.221 1.00 0.48 H new ATOM 0 HB3 GLN A 44 15.848 -7.701 9.594 1.00 0.48 H new ATOM 0 HG2 GLN A 44 16.001 -8.295 11.984 1.00 0.65 H new ATOM 0 HG3 GLN A 44 17.285 -9.437 11.641 1.00 0.65 H new ATOM 0 HE21 GLN A 44 16.420 -6.025 11.954 1.00 1.10 H new ATOM 0 HE22 GLN A 44 18.072 -5.399 11.939 1.00 1.10 H new ATOM 699 N GLN A 45 13.283 -8.488 10.050 1.00 0.41 N ATOM 700 CA GLN A 45 12.002 -8.146 10.709 1.00 0.43 C ATOM 701 C GLN A 45 10.773 -8.382 9.792 1.00 0.41 C ATOM 702 O GLN A 45 9.641 -8.122 10.213 1.00 0.45 O ATOM 703 CB GLN A 45 12.034 -6.677 11.201 1.00 0.47 C ATOM 704 CG GLN A 45 10.997 -6.354 12.288 1.00 0.59 C ATOM 705 CD GLN A 45 11.182 -4.977 12.927 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.666 -4.041 12.289 1.00 0.65 O ATOM 707 NE2 GLN A 45 10.787 -4.841 14.194 1.00 0.84 N ATOM 0 H GLN A 45 13.548 -7.849 9.300 1.00 0.41 H new ATOM 0 HA GLN A 45 11.891 -8.816 11.561 1.00 0.43 H new ATOM 0 HB2 GLN A 45 13.029 -6.457 11.587 1.00 0.47 H new ATOM 0 HB3 GLN A 45 11.869 -6.017 10.350 1.00 0.47 H new ATOM 0 HG2 GLN A 45 9.999 -6.412 11.854 1.00 0.59 H new ATOM 0 HG3 GLN A 45 11.051 -7.116 13.066 1.00 0.59 H new ATOM 0 HE21 GLN A 45 10.390 -5.637 14.693 1.00 0.84 H new ATOM 0 HE22 GLN A 45 10.882 -3.941 14.664 1.00 0.84 H new ATOM 716 N LEU A 46 10.981 -8.882 8.550 1.00 0.40 N ATOM 717 CA LEU A 46 9.869 -9.139 7.615 1.00 0.40 C ATOM 718 C LEU A 46 10.101 -10.439 6.782 1.00 0.40 C ATOM 719 O LEU A 46 9.919 -10.424 5.558 1.00 0.42 O ATOM 720 CB LEU A 46 9.703 -7.892 6.697 1.00 0.41 C ATOM 721 CG LEU A 46 8.272 -7.572 6.204 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.367 -7.149 7.363 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.308 -6.477 5.131 1.00 0.67 C ATOM 0 H LEU A 46 11.903 -9.112 8.178 1.00 0.40 H new ATOM 0 HA LEU A 46 8.951 -9.303 8.179 1.00 0.40 H new ATOM 0 HB2 LEU A 46 10.079 -7.022 7.235 1.00 0.41 H new ATOM 0 HB3 LEU A 46 10.341 -8.026 5.823 1.00 0.41 H new ATOM 0 HG LEU A 46 7.858 -8.481 5.767 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.369 -6.931 6.984 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.310 -7.956 8.093 1.00 0.59 H new ATOM 0 HD13 LEU A 46 7.777 -6.258 7.838 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.293 -6.264 4.795 1.00 0.67 H new ATOM 0 HD22 LEU A 46 8.750 -5.572 5.549 1.00 0.67 H new ATOM 0 HD23 LEU A 46 8.907 -6.816 4.285 1.00 0.67 H new ATOM 735 N PRO A 47 10.488 -11.599 7.425 1.00 0.42 N ATOM 736 CA PRO A 47 10.738 -12.860 6.693 1.00 0.45 C ATOM 737 C PRO A 47 9.468 -13.700 6.389 1.00 0.47 C ATOM 738 O PRO A 47 9.362 -14.279 5.304 1.00 0.52 O ATOM 739 CB PRO A 47 11.680 -13.609 7.642 1.00 0.49 C ATOM 740 CG PRO A 47 11.262 -13.191 9.010 1.00 0.49 C ATOM 741 CD PRO A 47 10.738 -11.779 8.889 1.00 0.46 C ATOM 0 HA PRO A 47 11.141 -12.668 5.699 1.00 0.45 H new ATOM 0 HB2 PRO A 47 11.592 -14.688 7.515 1.00 0.49 H new ATOM 0 HB3 PRO A 47 12.721 -13.349 7.451 1.00 0.49 H new ATOM 0 HG2 PRO A 47 10.493 -13.857 9.401 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.103 -13.234 9.702 1.00 0.49 H new ATOM 0 HD2 PRO A 47 9.824 -11.643 9.468 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.462 -11.053 9.261 1.00 0.46 H new ATOM 749 N HIS A 48 8.518 -13.763 7.345 1.00 0.47 N ATOM 750 CA HIS A 48 7.273 -14.551 7.182 1.00 0.52 C ATOM 751 C HIS A 48 6.270 -13.891 6.210 1.00 0.50 C ATOM 752 O HIS A 48 5.402 -14.586 5.667 1.00 0.57 O ATOM 753 CB HIS A 48 6.602 -14.785 8.551 1.00 0.57 C ATOM 754 CG HIS A 48 7.349 -15.740 9.450 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.338 -15.337 10.324 1.00 0.69 N ATOM 756 CD2 HIS A 48 7.244 -17.085 9.603 1.00 0.79 C ATOM 757 CE1 HIS A 48 8.807 -16.387 10.974 1.00 0.80 C ATOM 758 NE2 HIS A 48 8.162 -17.459 10.555 1.00 0.85 N ATOM 0 H HIS A 48 8.587 -13.278 8.240 1.00 0.47 H new ATOM 0 HA HIS A 48 7.563 -15.507 6.746 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.500 -13.827 9.062 1.00 0.57 H new ATOM 0 HB3 HIS A 48 5.595 -15.169 8.389 1.00 0.57 H new ATOM 0 HD2 HIS A 48 6.566 -17.739 9.075 1.00 0.79 H new ATOM 0 HE1 HIS A 48 9.586 -16.371 11.722 1.00 0.80 H new ATOM 0 HE2 HIS A 48 8.319 -18.411 10.884 1.00 0.85 H new ATOM 767 N LEU A 49 6.387 -12.562 5.987 1.00 0.46 N ATOM 768 CA LEU A 49 5.472 -11.832 5.078 1.00 0.46 C ATOM 769 C LEU A 49 5.681 -12.234 3.602 1.00 0.45 C ATOM 770 O LEU A 49 4.714 -12.592 2.920 1.00 0.53 O ATOM 771 CB LEU A 49 5.636 -10.304 5.251 1.00 0.47 C ATOM 772 CG LEU A 49 4.428 -9.446 4.799 1.00 0.50 C ATOM 773 CD1 LEU A 49 3.224 -9.669 5.716 1.00 0.87 C ATOM 774 CD2 LEU A 49 4.790 -7.962 4.754 1.00 0.53 C ATOM 0 H LEU A 49 7.101 -11.976 6.420 1.00 0.46 H new ATOM 0 HA LEU A 49 4.454 -12.111 5.351 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.835 -10.095 6.302 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.515 -9.985 4.691 1.00 0.47 H new ATOM 0 HG LEU A 49 4.159 -9.763 3.791 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.390 -9.055 5.377 1.00 0.87 H new ATOM 0 HD12 LEU A 49 2.936 -10.720 5.689 1.00 0.87 H new ATOM 0 HD13 LEU A 49 3.488 -9.391 6.737 1.00 0.87 H new ATOM 0 HD21 LEU A 49 3.922 -7.385 4.433 1.00 0.53 H new ATOM 0 HD22 LEU A 49 5.098 -7.632 5.746 1.00 0.53 H new ATOM 0 HD23 LEU A 49 5.608 -7.808 4.050 1.00 0.53 H new ATOM 786 N LEU A 50 6.937 -12.163 3.116 1.00 0.43 N ATOM 787 CA LEU A 50 7.263 -12.534 1.726 1.00 0.45 C ATOM 788 C LEU A 50 7.775 -13.982 1.665 1.00 0.48 C ATOM 789 O LEU A 50 8.603 -14.381 2.491 1.00 0.54 O ATOM 790 CB LEU A 50 8.329 -11.584 1.126 1.00 0.48 C ATOM 791 CG LEU A 50 7.994 -10.070 1.112 1.00 0.57 C ATOM 792 CD1 LEU A 50 9.161 -9.272 0.519 1.00 0.66 C ATOM 793 CD2 LEU A 50 6.703 -9.783 0.336 1.00 0.73 C ATOM 0 H LEU A 50 7.739 -11.853 3.665 1.00 0.43 H new ATOM 0 HA LEU A 50 6.349 -12.446 1.138 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.256 -11.721 1.682 1.00 0.48 H new ATOM 0 HB3 LEU A 50 8.523 -11.898 0.100 1.00 0.48 H new ATOM 0 HG LEU A 50 7.836 -9.756 2.144 1.00 0.57 H new ATOM 0 HD11 LEU A 50 8.912 -8.211 0.516 1.00 0.66 H new ATOM 0 HD12 LEU A 50 10.055 -9.433 1.122 1.00 0.66 H new ATOM 0 HD13 LEU A 50 9.347 -9.604 -0.502 1.00 0.66 H new ATOM 0 HD21 LEU A 50 6.501 -8.712 0.348 1.00 0.73 H new ATOM 0 HD22 LEU A 50 6.816 -10.119 -0.695 1.00 0.73 H new ATOM 0 HD23 LEU A 50 5.873 -10.314 0.802 1.00 0.73 H new ATOM 805 N LYS A 51 7.274 -14.772 0.689 1.00 0.55 N ATOM 806 CA LYS A 51 7.705 -16.178 0.512 1.00 0.66 C ATOM 807 C LYS A 51 9.205 -16.275 0.139 1.00 0.63 C ATOM 808 O LYS A 51 9.871 -17.251 0.505 1.00 0.76 O ATOM 809 CB LYS A 51 6.834 -16.915 -0.540 1.00 0.78 C ATOM 810 CG LYS A 51 6.846 -16.317 -1.959 1.00 0.78 C ATOM 811 CD LYS A 51 5.941 -17.109 -2.913 1.00 1.18 C ATOM 812 CE LYS A 51 5.875 -16.487 -4.309 1.00 1.16 C ATOM 813 NZ LYS A 51 5.182 -17.374 -5.292 1.00 1.32 N ATOM 0 H LYS A 51 6.574 -14.462 0.015 1.00 0.55 H new ATOM 0 HA LYS A 51 7.565 -16.673 1.473 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.169 -17.951 -0.600 1.00 0.78 H new ATOM 0 HB3 LYS A 51 5.804 -16.933 -0.183 1.00 0.78 H new ATOM 0 HG2 LYS A 51 6.515 -15.279 -1.920 1.00 0.78 H new ATOM 0 HG3 LYS A 51 7.866 -16.312 -2.344 1.00 0.78 H new ATOM 0 HD2 LYS A 51 6.308 -18.132 -2.992 1.00 1.18 H new ATOM 0 HD3 LYS A 51 4.936 -17.163 -2.495 1.00 1.18 H new ATOM 0 HE2 LYS A 51 5.354 -15.531 -4.254 1.00 1.16 H new ATOM 0 HE3 LYS A 51 6.886 -16.279 -4.660 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 5.161 -16.911 -6.223 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 5.693 -18.277 -5.365 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 4.208 -17.552 -4.973 1.00 1.32 H new ATOM 827 N ASP A 52 9.719 -15.256 -0.585 1.00 0.64 N ATOM 828 CA ASP A 52 11.126 -15.206 -1.010 1.00 0.71 C ATOM 829 C ASP A 52 11.870 -14.100 -0.235 1.00 0.59 C ATOM 830 O ASP A 52 11.494 -12.927 -0.319 1.00 0.73 O ATOM 831 CB ASP A 52 11.202 -14.950 -2.534 1.00 0.99 C ATOM 832 CG ASP A 52 12.465 -15.513 -3.177 1.00 1.46 C ATOM 833 OD1 ASP A 52 13.566 -15.261 -2.648 1.00 2.08 O ATOM 834 OD2 ASP A 52 12.346 -16.207 -4.210 1.00 2.02 O ATOM 0 H ASP A 52 9.169 -14.452 -0.887 1.00 0.64 H new ATOM 0 HA ASP A 52 11.604 -16.161 -0.792 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.329 -15.393 -3.014 1.00 0.99 H new ATOM 0 HB3 ASP A 52 11.156 -13.877 -2.718 1.00 0.99 H new ATOM 839 N VAL A 53 12.924 -14.486 0.518 1.00 0.51 N ATOM 840 CA VAL A 53 13.729 -13.533 1.317 1.00 0.52 C ATOM 841 C VAL A 53 15.165 -13.347 0.761 1.00 0.56 C ATOM 842 O VAL A 53 15.845 -12.390 1.140 1.00 0.71 O ATOM 843 CB VAL A 53 13.794 -13.941 2.831 1.00 0.59 C ATOM 844 CG1 VAL A 53 12.411 -13.858 3.477 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.397 -15.341 3.035 1.00 0.64 C ATOM 0 H VAL A 53 13.238 -15.454 0.590 1.00 0.51 H new ATOM 0 HA VAL A 53 13.212 -12.577 1.235 1.00 0.52 H new ATOM 0 HB VAL A 53 14.457 -13.228 3.321 1.00 0.59 H new ATOM 0 HG11 VAL A 53 12.482 -14.145 4.526 1.00 0.65 H new ATOM 0 HG12 VAL A 53 12.036 -12.837 3.405 1.00 0.65 H new ATOM 0 HG13 VAL A 53 11.727 -14.532 2.961 1.00 0.65 H new ATOM 0 HG21 VAL A 53 14.420 -15.576 4.099 1.00 0.64 H new ATOM 0 HG22 VAL A 53 13.788 -16.079 2.513 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.412 -15.362 2.637 1.00 0.64 H new ATOM 855 N GLY A 54 15.618 -14.256 -0.133 1.00 0.53 N ATOM 856 CA GLY A 54 16.958 -14.169 -0.717 1.00 0.64 C ATOM 857 C GLY A 54 16.955 -13.616 -2.139 1.00 0.61 C ATOM 858 O GLY A 54 17.733 -12.708 -2.454 1.00 0.83 O ATOM 0 H GLY A 54 15.070 -15.052 -0.459 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.582 -13.534 -0.088 1.00 0.64 H new ATOM 0 HA3 GLY A 54 17.412 -15.160 -0.720 1.00 0.64 H new ATOM 862 N SER A 55 16.083 -14.171 -3.004 1.00 0.57 N ATOM 863 CA SER A 55 15.978 -13.737 -4.406 1.00 0.58 C ATOM 864 C SER A 55 15.007 -12.550 -4.551 1.00 0.51 C ATOM 865 O SER A 55 13.851 -12.719 -4.959 1.00 0.62 O ATOM 866 CB SER A 55 15.555 -14.912 -5.310 1.00 0.74 C ATOM 867 OG SER A 55 15.473 -14.516 -6.673 1.00 0.85 O ATOM 0 H SER A 55 15.441 -14.923 -2.753 1.00 0.57 H new ATOM 0 HA SER A 55 16.963 -13.398 -4.728 1.00 0.58 H new ATOM 0 HB2 SER A 55 16.272 -15.727 -5.209 1.00 0.74 H new ATOM 0 HB3 SER A 55 14.589 -15.295 -4.982 1.00 0.74 H new ATOM 0 HG SER A 55 16.121 -13.802 -6.846 1.00 0.85 H new ATOM 873 N LEU A 56 15.493 -11.342 -4.189 1.00 0.49 N ATOM 874 CA LEU A 56 14.701 -10.102 -4.299 1.00 0.53 C ATOM 875 C LEU A 56 15.078 -9.311 -5.577 1.00 0.58 C ATOM 876 O LEU A 56 14.690 -8.153 -5.713 1.00 1.03 O ATOM 877 CB LEU A 56 14.891 -9.214 -3.029 1.00 0.67 C ATOM 878 CG LEU A 56 13.981 -9.526 -1.808 1.00 0.83 C ATOM 879 CD1 LEU A 56 12.507 -9.227 -2.111 1.00 1.22 C ATOM 880 CD2 LEU A 56 14.156 -10.972 -1.331 1.00 1.21 C ATOM 0 H LEU A 56 16.433 -11.202 -3.818 1.00 0.49 H new ATOM 0 HA LEU A 56 13.650 -10.380 -4.373 1.00 0.53 H new ATOM 0 HB2 LEU A 56 15.929 -9.299 -2.708 1.00 0.67 H new ATOM 0 HB3 LEU A 56 14.730 -8.175 -3.315 1.00 0.67 H new ATOM 0 HG LEU A 56 14.295 -8.866 -0.999 1.00 0.83 H new ATOM 0 HD11 LEU A 56 11.901 -9.457 -1.234 1.00 1.22 H new ATOM 0 HD12 LEU A 56 12.394 -8.173 -2.363 1.00 1.22 H new ATOM 0 HD13 LEU A 56 12.177 -9.838 -2.951 1.00 1.22 H new ATOM 0 HD21 LEU A 56 13.505 -11.155 -0.476 1.00 1.21 H new ATOM 0 HD22 LEU A 56 13.895 -11.656 -2.139 1.00 1.21 H new ATOM 0 HD23 LEU A 56 15.193 -11.136 -1.038 1.00 1.21 H new ATOM 892 N ASP A 57 15.813 -9.948 -6.527 1.00 0.49 N ATOM 893 CA ASP A 57 16.228 -9.291 -7.791 1.00 0.53 C ATOM 894 C ASP A 57 15.024 -8.953 -8.697 1.00 0.47 C ATOM 895 O ASP A 57 15.048 -7.933 -9.398 1.00 0.50 O ATOM 896 CB ASP A 57 17.252 -10.157 -8.561 1.00 0.67 C ATOM 897 CG ASP A 57 16.751 -11.562 -8.886 1.00 0.70 C ATOM 898 OD1 ASP A 57 16.104 -11.736 -9.941 1.00 0.77 O ATOM 899 OD2 ASP A 57 17.006 -12.481 -8.080 1.00 0.77 O ATOM 0 H ASP A 57 16.129 -10.914 -6.440 1.00 0.49 H new ATOM 0 HA ASP A 57 16.704 -8.351 -7.512 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.515 -9.651 -9.490 1.00 0.67 H new ATOM 0 HB3 ASP A 57 18.165 -10.235 -7.970 1.00 0.67 H new ATOM 904 N GLU A 58 13.982 -9.817 -8.684 1.00 0.46 N ATOM 905 CA GLU A 58 12.757 -9.600 -9.486 1.00 0.51 C ATOM 906 C GLU A 58 11.970 -8.370 -8.970 1.00 0.47 C ATOM 907 O GLU A 58 11.272 -7.713 -9.748 1.00 0.56 O ATOM 908 CB GLU A 58 11.857 -10.861 -9.462 1.00 0.60 C ATOM 909 CG GLU A 58 10.905 -10.976 -10.655 1.00 0.79 C ATOM 910 CD GLU A 58 9.992 -12.190 -10.573 1.00 0.92 C ATOM 911 OE1 GLU A 58 10.511 -13.326 -10.619 1.00 1.09 O ATOM 912 OE2 GLU A 58 8.761 -12.003 -10.467 1.00 1.02 O ATOM 0 H GLU A 58 13.966 -10.671 -8.126 1.00 0.46 H new ATOM 0 HA GLU A 58 13.059 -9.408 -10.515 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.492 -11.746 -9.432 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.271 -10.858 -8.543 1.00 0.60 H new ATOM 0 HG2 GLU A 58 10.296 -10.074 -10.715 1.00 0.79 H new ATOM 0 HG3 GLU A 58 11.488 -11.029 -11.574 1.00 0.79 H new ATOM 919 N LYS A 59 12.102 -8.069 -7.653 1.00 0.42 N ATOM 920 CA LYS A 59 11.425 -6.927 -7.009 1.00 0.47 C ATOM 921 C LYS A 59 12.328 -5.678 -7.010 1.00 0.53 C ATOM 922 O LYS A 59 11.864 -4.592 -7.349 1.00 0.91 O ATOM 923 CB LYS A 59 11.020 -7.272 -5.552 1.00 0.52 C ATOM 924 CG LYS A 59 9.832 -8.237 -5.408 1.00 0.60 C ATOM 925 CD LYS A 59 10.185 -9.672 -5.803 1.00 0.81 C ATOM 926 CE LYS A 59 9.059 -10.655 -5.490 1.00 1.17 C ATOM 927 NZ LYS A 59 9.401 -12.047 -5.904 1.00 1.55 N ATOM 0 H LYS A 59 12.681 -8.613 -7.013 1.00 0.42 H new ATOM 0 HA LYS A 59 10.525 -6.713 -7.586 1.00 0.47 H new ATOM 0 HB2 LYS A 59 11.882 -7.707 -5.047 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.779 -6.345 -5.031 1.00 0.52 H new ATOM 0 HG2 LYS A 59 9.482 -8.224 -4.376 1.00 0.60 H new ATOM 0 HG3 LYS A 59 9.007 -7.886 -6.028 1.00 0.60 H new ATOM 0 HD2 LYS A 59 10.409 -9.708 -6.869 1.00 0.81 H new ATOM 0 HD3 LYS A 59 11.089 -9.979 -5.277 1.00 0.81 H new ATOM 0 HE2 LYS A 59 8.848 -10.636 -4.421 1.00 1.17 H new ATOM 0 HE3 LYS A 59 8.149 -10.338 -6.000 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 8.610 -12.682 -5.674 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 9.577 -12.071 -6.929 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 10.254 -12.360 -5.399 1.00 1.55 H new ATOM 941 N MET A 60 13.623 -5.846 -6.649 1.00 0.39 N ATOM 942 CA MET A 60 14.603 -4.731 -6.591 1.00 0.41 C ATOM 943 C MET A 60 14.643 -3.917 -7.903 1.00 0.42 C ATOM 944 O MET A 60 14.676 -2.684 -7.857 1.00 0.46 O ATOM 945 CB MET A 60 16.010 -5.266 -6.245 1.00 0.45 C ATOM 946 CG MET A 60 17.003 -4.187 -5.798 1.00 0.53 C ATOM 947 SD MET A 60 18.582 -4.862 -5.232 1.00 0.66 S ATOM 948 CE MET A 60 19.327 -5.339 -6.789 1.00 0.84 C ATOM 0 H MET A 60 14.017 -6.751 -6.391 1.00 0.39 H new ATOM 0 HA MET A 60 14.274 -4.054 -5.802 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.919 -6.010 -5.453 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.416 -5.778 -7.118 1.00 0.45 H new ATOM 0 HG2 MET A 60 17.184 -3.503 -6.627 1.00 0.53 H new ATOM 0 HG3 MET A 60 16.556 -3.602 -4.994 1.00 0.53 H new ATOM 0 HE1 MET A 60 20.337 -5.708 -6.611 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.730 -6.125 -7.252 1.00 0.84 H new ATOM 0 HE3 MET A 60 19.368 -4.475 -7.453 1.00 0.84 H new ATOM 958 N LYS A 61 14.640 -4.609 -9.064 1.00 0.44 N ATOM 959 CA LYS A 61 14.646 -3.931 -10.380 1.00 0.49 C ATOM 960 C LYS A 61 13.297 -3.243 -10.660 1.00 0.46 C ATOM 961 O LYS A 61 13.269 -2.159 -11.248 1.00 0.49 O ATOM 962 CB LYS A 61 14.982 -4.915 -11.526 1.00 0.59 C ATOM 963 CG LYS A 61 16.460 -5.328 -11.611 1.00 0.70 C ATOM 964 CD LYS A 61 17.413 -4.162 -11.940 1.00 1.11 C ATOM 965 CE LYS A 61 17.231 -3.593 -13.354 1.00 1.90 C ATOM 966 NZ LYS A 61 17.533 -4.586 -14.429 1.00 2.56 N ATOM 0 H LYS A 61 14.634 -5.628 -9.117 1.00 0.44 H new ATOM 0 HA LYS A 61 15.425 -3.170 -10.341 1.00 0.49 H new ATOM 0 HB2 LYS A 61 14.375 -5.812 -11.404 1.00 0.59 H new ATOM 0 HB3 LYS A 61 14.692 -4.460 -12.473 1.00 0.59 H new ATOM 0 HG2 LYS A 61 16.759 -5.772 -10.662 1.00 0.70 H new ATOM 0 HG3 LYS A 61 16.569 -6.100 -12.373 1.00 0.70 H new ATOM 0 HD2 LYS A 61 17.259 -3.363 -11.214 1.00 1.11 H new ATOM 0 HD3 LYS A 61 18.442 -4.503 -11.825 1.00 1.11 H new ATOM 0 HE2 LYS A 61 16.205 -3.243 -13.469 1.00 1.90 H new ATOM 0 HE3 LYS A 61 17.880 -2.726 -13.476 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 17.491 -4.117 -15.356 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 18.485 -4.978 -14.282 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 16.833 -5.355 -14.398 1.00 2.56 H new ATOM 980 N SER A 62 12.183 -3.883 -10.241 1.00 0.44 N ATOM 981 CA SER A 62 10.828 -3.316 -10.423 1.00 0.46 C ATOM 982 C SER A 62 10.622 -2.071 -9.533 1.00 0.43 C ATOM 983 O SER A 62 9.893 -1.148 -9.908 1.00 0.47 O ATOM 984 CB SER A 62 9.749 -4.369 -10.106 1.00 0.53 C ATOM 985 OG SER A 62 9.826 -5.468 -11.000 1.00 0.61 O ATOM 0 H SER A 62 12.195 -4.790 -9.775 1.00 0.44 H new ATOM 0 HA SER A 62 10.734 -3.016 -11.467 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.871 -4.721 -9.082 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.761 -3.912 -10.171 1.00 0.53 H new ATOM 0 HG SER A 62 10.310 -6.205 -10.572 1.00 0.61 H new ATOM 991 N LEU A 63 11.288 -2.055 -8.357 1.00 0.40 N ATOM 992 CA LEU A 63 11.203 -0.938 -7.402 1.00 0.43 C ATOM 993 C LEU A 63 12.039 0.259 -7.883 1.00 0.45 C ATOM 994 O LEU A 63 11.511 1.366 -8.029 1.00 0.53 O ATOM 995 CB LEU A 63 11.683 -1.389 -6.003 1.00 0.45 C ATOM 996 CG LEU A 63 10.832 -2.479 -5.318 1.00 0.42 C ATOM 997 CD1 LEU A 63 11.600 -3.144 -4.173 1.00 0.48 C ATOM 998 CD2 LEU A 63 9.508 -1.912 -4.815 1.00 0.68 C ATOM 0 H LEU A 63 11.895 -2.814 -8.048 1.00 0.40 H new ATOM 0 HA LEU A 63 10.160 -0.627 -7.337 1.00 0.43 H new ATOM 0 HB2 LEU A 63 12.706 -1.756 -6.092 1.00 0.45 H new ATOM 0 HB3 LEU A 63 11.713 -0.516 -5.351 1.00 0.45 H new ATOM 0 HG LEU A 63 10.613 -3.240 -6.067 1.00 0.42 H new ATOM 0 HD11 LEU A 63 10.974 -3.907 -3.710 1.00 0.48 H new ATOM 0 HD12 LEU A 63 12.507 -3.606 -4.563 1.00 0.48 H new ATOM 0 HD13 LEU A 63 11.866 -2.393 -3.429 1.00 0.48 H new ATOM 0 HD21 LEU A 63 8.931 -2.704 -4.337 1.00 0.68 H new ATOM 0 HD22 LEU A 63 9.703 -1.119 -4.093 1.00 0.68 H new ATOM 0 HD23 LEU A 63 8.943 -1.507 -5.655 1.00 0.68 H new ATOM 1010 N ASP A 64 13.344 0.025 -8.136 1.00 0.45 N ATOM 1011 CA ASP A 64 14.257 1.081 -8.605 1.00 0.51 C ATOM 1012 C ASP A 64 14.156 1.221 -10.143 1.00 0.50 C ATOM 1013 O ASP A 64 15.059 0.806 -10.881 1.00 0.54 O ATOM 1014 CB ASP A 64 15.712 0.776 -8.154 1.00 0.60 C ATOM 1015 CG ASP A 64 16.596 2.020 -8.040 1.00 0.83 C ATOM 1016 OD1 ASP A 64 16.460 2.937 -8.882 1.00 1.28 O ATOM 1017 OD2 ASP A 64 17.427 2.071 -7.108 1.00 1.39 O ATOM 0 H ASP A 64 13.786 -0.887 -8.022 1.00 0.45 H new ATOM 0 HA ASP A 64 13.966 2.033 -8.160 1.00 0.51 H new ATOM 0 HB2 ASP A 64 15.685 0.271 -7.188 1.00 0.60 H new ATOM 0 HB3 ASP A 64 16.165 0.083 -8.863 1.00 0.60 H new ATOM 1022 N VAL A 65 13.028 1.798 -10.614 1.00 0.51 N ATOM 1023 CA VAL A 65 12.776 2.005 -12.054 1.00 0.55 C ATOM 1024 C VAL A 65 13.264 3.404 -12.523 1.00 0.55 C ATOM 1025 O VAL A 65 13.549 3.591 -13.709 1.00 0.60 O ATOM 1026 CB VAL A 65 11.262 1.768 -12.412 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.340 2.872 -11.869 1.00 0.67 C ATOM 1028 CG2 VAL A 65 11.067 1.576 -13.922 1.00 0.73 C ATOM 0 H VAL A 65 12.275 2.130 -10.012 1.00 0.51 H new ATOM 0 HA VAL A 65 13.358 1.262 -12.598 1.00 0.55 H new ATOM 0 HB VAL A 65 10.970 0.845 -11.911 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.309 2.654 -12.147 1.00 0.67 H new ATOM 0 HG12 VAL A 65 10.422 2.913 -10.783 1.00 0.67 H new ATOM 0 HG13 VAL A 65 10.635 3.833 -12.292 1.00 0.67 H new ATOM 0 HG21 VAL A 65 10.010 1.415 -14.135 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.412 2.465 -14.449 1.00 0.73 H new ATOM 0 HG23 VAL A 65 11.640 0.711 -14.256 1.00 0.73 H new ATOM 1038 N ASN A 66 13.349 4.377 -11.585 1.00 0.56 N ATOM 1039 CA ASN A 66 13.827 5.746 -11.890 1.00 0.60 C ATOM 1040 C ASN A 66 15.359 5.779 -12.143 1.00 0.59 C ATOM 1041 O ASN A 66 15.842 6.645 -12.877 1.00 0.66 O ATOM 1042 CB ASN A 66 13.464 6.701 -10.727 1.00 0.67 C ATOM 1043 CG ASN A 66 13.687 8.184 -11.037 1.00 0.94 C ATOM 1044 OD1 ASN A 66 13.447 8.642 -12.158 1.00 1.29 O ATOM 1045 ND2 ASN A 66 14.156 8.947 -10.046 1.00 1.44 N ATOM 0 H ASN A 66 13.092 4.238 -10.608 1.00 0.56 H new ATOM 0 HA ASN A 66 13.333 6.075 -12.804 1.00 0.60 H new ATOM 0 HB2 ASN A 66 12.417 6.551 -10.462 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.056 6.431 -9.853 1.00 0.67 H new ATOM 0 HD21 ASN A 66 14.326 9.940 -10.204 1.00 1.44 H new ATOM 0 HD22 ASN A 66 14.344 8.536 -9.131 1.00 1.44 H new ATOM 1052 N GLN A 67 16.107 4.828 -11.518 1.00 0.55 N ATOM 1053 CA GLN A 67 17.582 4.724 -11.639 1.00 0.60 C ATOM 1054 C GLN A 67 18.282 5.961 -11.027 1.00 0.63 C ATOM 1055 O GLN A 67 18.518 6.956 -11.724 1.00 0.78 O ATOM 1056 CB GLN A 67 18.043 4.520 -13.110 1.00 0.70 C ATOM 1057 CG GLN A 67 17.480 3.277 -13.817 1.00 0.88 C ATOM 1058 CD GLN A 67 18.145 1.961 -13.398 1.00 1.20 C ATOM 1059 OE1 GLN A 67 18.467 1.754 -12.228 1.00 1.96 O ATOM 1060 NE2 GLN A 67 18.363 1.060 -14.359 1.00 1.86 N ATOM 0 H GLN A 67 15.700 4.112 -10.916 1.00 0.55 H new ATOM 0 HA GLN A 67 17.876 3.838 -11.076 1.00 0.60 H new ATOM 0 HB2 GLN A 67 17.761 5.402 -13.686 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.131 4.463 -13.126 1.00 0.70 H new ATOM 0 HG2 GLN A 67 16.411 3.211 -13.615 1.00 0.88 H new ATOM 0 HG3 GLN A 67 17.594 3.402 -14.894 1.00 0.88 H new ATOM 0 HE21 GLN A 67 18.085 1.261 -15.319 1.00 1.86 H new ATOM 0 HE22 GLN A 67 18.808 0.170 -14.133 1.00 1.86 H new ATOM 1069 N ASP A 68 18.594 5.894 -9.714 1.00 0.62 N ATOM 1070 CA ASP A 68 19.269 7.002 -9.004 1.00 0.71 C ATOM 1071 C ASP A 68 20.308 6.462 -7.998 1.00 0.77 C ATOM 1072 O ASP A 68 21.513 6.605 -8.221 1.00 1.32 O ATOM 1073 CB ASP A 68 18.224 7.915 -8.312 1.00 0.78 C ATOM 1074 CG ASP A 68 18.800 9.258 -7.873 1.00 1.08 C ATOM 1075 OD1 ASP A 68 18.889 10.173 -8.721 1.00 1.41 O ATOM 1076 OD2 ASP A 68 19.167 9.389 -6.686 1.00 1.37 O ATOM 0 H ASP A 68 18.390 5.086 -9.126 1.00 0.62 H new ATOM 0 HA ASP A 68 19.809 7.605 -9.734 1.00 0.71 H new ATOM 0 HB2 ASP A 68 17.393 8.089 -8.996 1.00 0.78 H new ATOM 0 HB3 ASP A 68 17.818 7.398 -7.442 1.00 0.78 H new ATOM 1081 N SER A 69 19.837 5.832 -6.899 1.00 0.62 N ATOM 1082 CA SER A 69 20.719 5.265 -5.858 1.00 0.67 C ATOM 1083 C SER A 69 19.895 4.492 -4.817 1.00 0.68 C ATOM 1084 O SER A 69 20.118 3.293 -4.613 1.00 1.24 O ATOM 1085 CB SER A 69 21.548 6.371 -5.158 1.00 0.82 C ATOM 1086 OG SER A 69 22.305 5.851 -4.072 1.00 1.31 O ATOM 0 H SER A 69 18.843 5.704 -6.711 1.00 0.62 H new ATOM 0 HA SER A 69 21.410 4.579 -6.348 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.219 6.835 -5.880 1.00 0.82 H new ATOM 0 HB3 SER A 69 20.880 7.152 -4.795 1.00 0.82 H new ATOM 0 HG SER A 69 22.817 6.575 -3.654 1.00 1.31 H new ATOM 1092 N GLU A 70 18.944 5.191 -4.164 1.00 0.66 N ATOM 1093 CA GLU A 70 18.082 4.591 -3.134 1.00 0.77 C ATOM 1094 C GLU A 70 16.618 4.542 -3.591 1.00 0.64 C ATOM 1095 O GLU A 70 16.201 5.306 -4.470 1.00 0.75 O ATOM 1096 CB GLU A 70 18.234 5.355 -1.807 1.00 1.13 C ATOM 1097 CG GLU A 70 19.563 5.072 -1.104 1.00 1.41 C ATOM 1098 CD GLU A 70 19.763 5.903 0.147 1.00 1.90 C ATOM 1099 OE1 GLU A 70 19.093 5.619 1.164 1.00 2.42 O ATOM 1100 OE2 GLU A 70 20.593 6.831 0.108 1.00 2.41 O ATOM 0 H GLU A 70 18.756 6.179 -4.336 1.00 0.66 H new ATOM 0 HA GLU A 70 18.400 3.561 -2.974 1.00 0.77 H new ATOM 0 HB2 GLU A 70 18.151 6.425 -1.998 1.00 1.13 H new ATOM 0 HB3 GLU A 70 17.413 5.085 -1.143 1.00 1.13 H new ATOM 0 HG2 GLU A 70 19.611 4.015 -0.842 1.00 1.41 H new ATOM 0 HG3 GLU A 70 20.382 5.266 -1.797 1.00 1.41 H new ATOM 1107 N LEU A 71 15.843 3.633 -2.973 1.00 0.57 N ATOM 1108 CA LEU A 71 14.433 3.422 -3.324 1.00 0.51 C ATOM 1109 C LEU A 71 13.491 4.336 -2.511 1.00 0.51 C ATOM 1110 O LEU A 71 13.244 4.074 -1.330 1.00 0.53 O ATOM 1111 CB LEU A 71 14.050 1.931 -3.103 1.00 0.53 C ATOM 1112 CG LEU A 71 14.623 0.893 -4.109 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.156 0.913 -4.159 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.125 -0.520 -3.770 1.00 0.74 C ATOM 0 H LEU A 71 16.176 3.029 -2.222 1.00 0.57 H new ATOM 0 HA LEU A 71 14.313 3.680 -4.376 1.00 0.51 H new ATOM 0 HB2 LEU A 71 14.372 1.644 -2.102 1.00 0.53 H new ATOM 0 HB3 LEU A 71 12.963 1.855 -3.122 1.00 0.53 H new ATOM 0 HG LEU A 71 14.260 1.176 -5.097 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.506 0.170 -4.876 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.497 1.902 -4.465 1.00 0.95 H new ATOM 0 HD13 LEU A 71 16.555 0.681 -3.172 1.00 0.95 H new ATOM 0 HD21 LEU A 71 14.537 -1.232 -4.485 1.00 0.74 H new ATOM 0 HD22 LEU A 71 14.448 -0.788 -2.764 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.036 -0.544 -3.820 1.00 0.74 H new ATOM 1126 N LYS A 72 12.975 5.413 -3.156 1.00 0.53 N ATOM 1127 CA LYS A 72 12.014 6.349 -2.513 1.00 0.56 C ATOM 1128 C LYS A 72 10.667 5.638 -2.271 1.00 0.50 C ATOM 1129 O LYS A 72 10.525 4.470 -2.630 1.00 0.48 O ATOM 1130 CB LYS A 72 11.790 7.600 -3.405 1.00 0.63 C ATOM 1131 CG LYS A 72 12.940 8.603 -3.377 1.00 0.86 C ATOM 1132 CD LYS A 72 12.709 9.762 -4.349 1.00 1.00 C ATOM 1133 CE LYS A 72 13.826 10.807 -4.290 1.00 1.43 C ATOM 1134 NZ LYS A 72 13.705 11.706 -3.103 1.00 1.89 N ATOM 0 H LYS A 72 13.207 5.655 -4.119 1.00 0.53 H new ATOM 0 HA LYS A 72 12.432 6.669 -1.558 1.00 0.56 H new ATOM 0 HB2 LYS A 72 11.631 7.275 -4.433 1.00 0.63 H new ATOM 0 HB3 LYS A 72 10.877 8.102 -3.085 1.00 0.63 H new ATOM 0 HG2 LYS A 72 13.056 8.994 -2.366 1.00 0.86 H new ATOM 0 HG3 LYS A 72 13.871 8.096 -3.631 1.00 0.86 H new ATOM 0 HD2 LYS A 72 12.634 9.372 -5.364 1.00 1.00 H new ATOM 0 HD3 LYS A 72 11.756 10.240 -4.120 1.00 1.00 H new ATOM 0 HE2 LYS A 72 14.791 10.301 -4.262 1.00 1.43 H new ATOM 0 HE3 LYS A 72 13.807 11.407 -5.200 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 14.484 12.395 -3.109 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 12.796 12.210 -3.141 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 13.750 11.139 -2.232 1.00 1.89 H new ATOM 1148 N PHE A 73 9.679 6.323 -1.650 1.00 0.53 N ATOM 1149 CA PHE A 73 8.354 5.702 -1.422 1.00 0.50 C ATOM 1150 C PHE A 73 7.620 5.499 -2.763 1.00 0.47 C ATOM 1151 O PHE A 73 6.841 4.556 -2.903 1.00 0.47 O ATOM 1152 CB PHE A 73 7.486 6.518 -0.439 1.00 0.56 C ATOM 1153 CG PHE A 73 6.710 5.649 0.538 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.678 4.823 0.101 1.00 0.89 C ATOM 1155 CD2 PHE A 73 7.037 5.633 1.889 1.00 0.87 C ATOM 1156 CE1 PHE A 73 4.999 4.010 0.985 1.00 1.12 C ATOM 1157 CE2 PHE A 73 6.354 4.823 2.775 1.00 1.11 C ATOM 1158 CZ PHE A 73 5.338 4.008 2.321 1.00 1.20 C ATOM 0 H PHE A 73 9.769 7.279 -1.306 1.00 0.53 H new ATOM 0 HA PHE A 73 8.525 4.729 -0.961 1.00 0.50 H new ATOM 0 HB2 PHE A 73 8.126 7.200 0.121 1.00 0.56 H new ATOM 0 HB3 PHE A 73 6.785 7.131 -1.006 1.00 0.56 H new ATOM 0 HD1 PHE A 73 5.405 4.819 -0.944 1.00 0.89 H new ATOM 0 HD2 PHE A 73 7.836 6.263 2.251 1.00 0.87 H new ATOM 0 HE1 PHE A 73 4.201 3.375 0.630 1.00 1.12 H new ATOM 0 HE2 PHE A 73 6.615 4.828 3.823 1.00 1.11 H new ATOM 0 HZ PHE A 73 4.808 3.369 3.012 1.00 1.20 H new ATOM 1168 N ASN A 74 7.881 6.398 -3.743 1.00 0.49 N ATOM 1169 CA ASN A 74 7.299 6.289 -5.092 1.00 0.51 C ATOM 1170 C ASN A 74 7.927 5.098 -5.864 1.00 0.49 C ATOM 1171 O ASN A 74 7.272 4.511 -6.728 1.00 0.53 O ATOM 1172 CB ASN A 74 7.502 7.606 -5.877 1.00 0.57 C ATOM 1173 CG ASN A 74 6.705 7.653 -7.180 1.00 0.65 C ATOM 1174 OD1 ASN A 74 7.217 7.291 -8.241 1.00 0.98 O ATOM 1175 ND2 ASN A 74 5.446 8.088 -7.108 1.00 0.91 N ATOM 0 H ASN A 74 8.492 7.205 -3.619 1.00 0.49 H new ATOM 0 HA ASN A 74 6.229 6.107 -4.989 1.00 0.51 H new ATOM 0 HB2 ASN A 74 7.209 8.446 -5.248 1.00 0.57 H new ATOM 0 HB3 ASN A 74 8.562 7.730 -6.101 1.00 0.57 H new ATOM 0 HD21 ASN A 74 4.872 8.129 -7.950 1.00 0.91 H new ATOM 0 HD22 ASN A 74 5.058 8.379 -6.211 1.00 0.91 H new ATOM 1182 N GLU A 75 9.203 4.761 -5.552 1.00 0.46 N ATOM 1183 CA GLU A 75 9.912 3.629 -6.190 1.00 0.47 C ATOM 1184 C GLU A 75 9.644 2.326 -5.412 1.00 0.43 C ATOM 1185 O GLU A 75 9.447 1.273 -6.013 1.00 0.44 O ATOM 1186 CB GLU A 75 11.433 3.917 -6.277 1.00 0.53 C ATOM 1187 CG GLU A 75 11.874 4.627 -7.562 1.00 0.61 C ATOM 1188 CD GLU A 75 11.299 6.030 -7.715 1.00 0.78 C ATOM 1189 OE1 GLU A 75 11.876 6.976 -7.137 1.00 0.98 O ATOM 1190 OE2 GLU A 75 10.276 6.178 -8.416 1.00 1.03 O ATOM 0 H GLU A 75 9.762 5.260 -4.860 1.00 0.46 H new ATOM 0 HA GLU A 75 9.533 3.508 -7.205 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.724 4.527 -5.422 1.00 0.53 H new ATOM 0 HB3 GLU A 75 11.974 2.974 -6.194 1.00 0.53 H new ATOM 0 HG2 GLU A 75 12.962 4.686 -7.579 1.00 0.61 H new ATOM 0 HG3 GLU A 75 11.574 4.025 -8.420 1.00 0.61 H new ATOM 1197 N TYR A 76 9.635 2.422 -4.063 1.00 0.42 N ATOM 1198 CA TYR A 76 9.356 1.277 -3.167 1.00 0.41 C ATOM 1199 C TYR A 76 7.851 0.898 -3.190 1.00 0.39 C ATOM 1200 O TYR A 76 7.472 -0.168 -2.699 1.00 0.52 O ATOM 1201 CB TYR A 76 9.813 1.625 -1.732 1.00 0.44 C ATOM 1202 CG TYR A 76 9.699 0.485 -0.723 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.533 -0.628 -0.799 1.00 0.52 C ATOM 1204 CD2 TYR A 76 8.756 0.530 0.306 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.433 -1.657 0.115 1.00 0.59 C ATOM 1206 CE2 TYR A 76 8.654 -0.497 1.223 1.00 0.57 C ATOM 1207 CZ TYR A 76 9.495 -1.589 1.125 1.00 0.59 C ATOM 1208 OH TYR A 76 9.402 -2.616 2.042 1.00 0.69 O ATOM 0 H TYR A 76 9.820 3.293 -3.566 1.00 0.42 H new ATOM 0 HA TYR A 76 9.914 0.410 -3.521 1.00 0.41 H new ATOM 0 HB2 TYR A 76 10.851 1.956 -1.768 1.00 0.44 H new ATOM 0 HB3 TYR A 76 9.222 2.468 -1.373 1.00 0.44 H new ATOM 0 HD1 TYR A 76 11.270 -0.687 -1.586 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.096 1.381 0.386 1.00 0.51 H new ATOM 0 HE1 TYR A 76 11.087 -2.513 0.040 1.00 0.59 H new ATOM 0 HE2 TYR A 76 7.920 -0.447 2.014 1.00 0.57 H new ATOM 0 HH TYR A 76 8.693 -2.414 2.688 1.00 0.69 H new ATOM 1218 N TRP A 77 7.009 1.790 -3.768 1.00 0.40 N ATOM 1219 CA TRP A 77 5.547 1.594 -3.906 1.00 0.42 C ATOM 1220 C TRP A 77 5.175 0.250 -4.588 1.00 0.37 C ATOM 1221 O TRP A 77 4.082 -0.273 -4.343 1.00 0.39 O ATOM 1222 CB TRP A 77 4.972 2.835 -4.650 1.00 0.58 C ATOM 1223 CG TRP A 77 3.700 2.659 -5.442 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.462 2.324 -4.971 1.00 0.53 C ATOM 1225 CD2 TRP A 77 3.553 2.856 -6.856 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.558 2.302 -6.003 1.00 0.77 N ATOM 1227 CE2 TRP A 77 2.206 2.622 -7.169 1.00 0.97 C ATOM 1228 CE3 TRP A 77 4.434 3.203 -7.888 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 1.719 2.731 -8.465 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 3.948 3.308 -9.175 1.00 1.45 C ATOM 1231 CH2 TRP A 77 2.600 3.073 -9.455 1.00 1.62 C ATOM 0 H TRP A 77 7.332 2.676 -4.156 1.00 0.40 H new ATOM 0 HA TRP A 77 5.094 1.518 -2.918 1.00 0.42 H new ATOM 0 HB2 TRP A 77 4.800 3.617 -3.911 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.741 3.203 -5.330 1.00 0.58 H new ATOM 0 HD1 TRP A 77 2.229 2.108 -3.939 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.565 2.083 -5.917 1.00 0.77 H new ATOM 0 HE3 TRP A 77 5.478 3.386 -7.680 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 0.677 2.551 -8.685 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 4.620 3.576 -9.977 1.00 1.45 H new ATOM 0 HH2 TRP A 77 2.246 3.163 -10.471 1.00 1.62 H new ATOM 1242 N ARG A 78 6.073 -0.310 -5.430 1.00 0.39 N ATOM 1243 CA ARG A 78 5.816 -1.608 -6.099 1.00 0.42 C ATOM 1244 C ARG A 78 5.818 -2.784 -5.093 1.00 0.40 C ATOM 1245 O ARG A 78 5.159 -3.798 -5.339 1.00 0.45 O ATOM 1246 CB ARG A 78 6.838 -1.870 -7.233 1.00 0.49 C ATOM 1247 CG ARG A 78 6.667 -0.959 -8.453 1.00 0.64 C ATOM 1248 CD ARG A 78 5.480 -1.363 -9.324 1.00 0.82 C ATOM 1249 NE ARG A 78 5.777 -2.531 -10.168 1.00 1.11 N ATOM 1250 CZ ARG A 78 6.071 -2.496 -11.488 1.00 1.57 C ATOM 1251 NH1 ARG A 78 6.187 -1.338 -12.157 1.00 1.96 N ATOM 1252 NH2 ARG A 78 6.267 -3.642 -12.138 1.00 1.93 N ATOM 0 H ARG A 78 6.973 0.110 -5.661 1.00 0.39 H new ATOM 0 HA ARG A 78 4.821 -1.544 -6.539 1.00 0.42 H new ATOM 0 HB2 ARG A 78 7.845 -1.742 -6.836 1.00 0.49 H new ATOM 0 HB3 ARG A 78 6.751 -2.908 -7.553 1.00 0.49 H new ATOM 0 HG2 ARG A 78 6.534 0.070 -8.118 1.00 0.64 H new ATOM 0 HG3 ARG A 78 7.578 -0.984 -9.051 1.00 0.64 H new ATOM 0 HD2 ARG A 78 4.624 -1.586 -8.687 1.00 0.82 H new ATOM 0 HD3 ARG A 78 5.195 -0.523 -9.958 1.00 0.82 H new ATOM 0 HE ARG A 78 5.760 -3.447 -9.719 1.00 1.11 H new ATOM 0 HH11 ARG A 78 6.053 -0.452 -11.670 1.00 1.96 H new ATOM 0 HH12 ARG A 78 6.410 -1.344 -13.152 1.00 1.96 H new ATOM 0 HH21 ARG A 78 6.195 -4.529 -11.640 1.00 1.93 H new ATOM 0 HH22 ARG A 78 6.489 -3.632 -13.133 1.00 1.93 H new ATOM 1266 N LEU A 79 6.554 -2.643 -3.964 1.00 0.37 N ATOM 1267 CA LEU A 79 6.619 -3.692 -2.924 1.00 0.37 C ATOM 1268 C LEU A 79 5.517 -3.468 -1.880 1.00 0.36 C ATOM 1269 O LEU A 79 5.022 -4.434 -1.304 1.00 0.39 O ATOM 1270 CB LEU A 79 8.007 -3.749 -2.238 1.00 0.40 C ATOM 1271 CG LEU A 79 8.393 -5.113 -1.610 1.00 0.44 C ATOM 1272 CD1 LEU A 79 8.718 -6.147 -2.694 1.00 0.49 C ATOM 1273 CD2 LEU A 79 9.567 -4.966 -0.633 1.00 0.53 C ATOM 0 H LEU A 79 7.109 -1.814 -3.753 1.00 0.37 H new ATOM 0 HA LEU A 79 6.462 -4.652 -3.416 1.00 0.37 H new ATOM 0 HB2 LEU A 79 8.766 -3.481 -2.973 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.037 -2.989 -1.457 1.00 0.40 H new ATOM 0 HG LEU A 79 7.531 -5.470 -1.047 1.00 0.44 H new ATOM 0 HD11 LEU A 79 8.985 -7.094 -2.225 1.00 0.49 H new ATOM 0 HD12 LEU A 79 7.846 -6.291 -3.332 1.00 0.49 H new ATOM 0 HD13 LEU A 79 9.554 -5.792 -3.297 1.00 0.49 H new ATOM 0 HD21 LEU A 79 9.813 -5.940 -0.210 1.00 0.53 H new ATOM 0 HD22 LEU A 79 10.434 -4.571 -1.163 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.289 -4.282 0.169 1.00 0.53 H new ATOM 1285 N ILE A 80 5.137 -2.184 -1.638 1.00 0.38 N ATOM 1286 CA ILE A 80 4.057 -1.839 -0.683 1.00 0.41 C ATOM 1287 C ILE A 80 2.787 -2.664 -1.004 1.00 0.40 C ATOM 1288 O ILE A 80 2.090 -3.104 -0.085 1.00 0.43 O ATOM 1289 CB ILE A 80 3.747 -0.299 -0.691 1.00 0.49 C ATOM 1290 CG1 ILE A 80 4.949 0.512 -0.119 1.00 0.53 C ATOM 1291 CG2 ILE A 80 2.444 0.036 0.058 1.00 0.59 C ATOM 1292 CD1 ILE A 80 5.148 0.419 1.391 1.00 0.61 C ATOM 0 H ILE A 80 5.563 -1.376 -2.091 1.00 0.38 H new ATOM 0 HA ILE A 80 4.396 -2.091 0.322 1.00 0.41 H new ATOM 0 HB ILE A 80 3.599 -0.005 -1.730 1.00 0.49 H new ATOM 0 HG12 ILE A 80 5.861 0.171 -0.609 1.00 0.53 H new ATOM 0 HG13 ILE A 80 4.817 1.560 -0.386 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.272 1.112 0.025 1.00 0.59 H new ATOM 0 HG22 ILE A 80 1.609 -0.480 -0.416 1.00 0.59 H new ATOM 0 HG23 ILE A 80 2.528 -0.287 1.096 1.00 0.59 H new ATOM 0 HD11 ILE A 80 6.010 1.020 1.682 1.00 0.61 H new ATOM 0 HD12 ILE A 80 4.258 0.791 1.899 1.00 0.61 H new ATOM 0 HD13 ILE A 80 5.318 -0.620 1.672 1.00 0.61 H new ATOM 1304 N GLY A 81 2.503 -2.859 -2.314 1.00 0.40 N ATOM 1305 CA GLY A 81 1.379 -3.687 -2.736 1.00 0.44 C ATOM 1306 C GLY A 81 1.641 -5.159 -2.425 1.00 0.41 C ATOM 1307 O GLY A 81 0.747 -5.858 -1.955 1.00 0.47 O ATOM 0 H GLY A 81 3.039 -2.453 -3.081 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.471 -3.360 -2.230 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.211 -3.561 -3.806 1.00 0.44 H new ATOM 1311 N GLU A 82 2.896 -5.616 -2.674 1.00 0.38 N ATOM 1312 CA GLU A 82 3.323 -7.010 -2.397 1.00 0.38 C ATOM 1313 C GLU A 82 3.228 -7.357 -0.898 1.00 0.36 C ATOM 1314 O GLU A 82 2.928 -8.495 -0.558 1.00 0.42 O ATOM 1315 CB GLU A 82 4.768 -7.264 -2.884 1.00 0.43 C ATOM 1316 CG GLU A 82 4.954 -7.228 -4.402 1.00 0.51 C ATOM 1317 CD GLU A 82 4.410 -8.461 -5.111 1.00 0.62 C ATOM 1318 OE1 GLU A 82 5.042 -9.535 -5.007 1.00 0.83 O ATOM 1319 OE2 GLU A 82 3.358 -8.350 -5.775 1.00 0.86 O ATOM 0 H GLU A 82 3.634 -5.033 -3.069 1.00 0.38 H new ATOM 0 HA GLU A 82 2.638 -7.654 -2.948 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.423 -6.518 -2.435 1.00 0.43 H new ATOM 0 HB3 GLU A 82 5.094 -8.237 -2.516 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.459 -6.342 -4.800 1.00 0.51 H new ATOM 0 HG3 GLU A 82 6.016 -7.128 -4.628 1.00 0.51 H new ATOM 1326 N LEU A 83 3.502 -6.380 -0.004 1.00 0.36 N ATOM 1327 CA LEU A 83 3.423 -6.595 1.461 1.00 0.39 C ATOM 1328 C LEU A 83 1.987 -6.978 1.890 1.00 0.40 C ATOM 1329 O LEU A 83 1.797 -7.936 2.643 1.00 0.49 O ATOM 1330 CB LEU A 83 3.887 -5.328 2.230 1.00 0.44 C ATOM 1331 CG LEU A 83 5.400 -5.237 2.558 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.250 -5.027 1.304 1.00 0.67 C ATOM 1333 CD2 LEU A 83 5.664 -4.124 3.575 1.00 0.61 C ATOM 0 H LEU A 83 3.780 -5.435 -0.270 1.00 0.36 H new ATOM 0 HA LEU A 83 4.090 -7.420 1.710 1.00 0.39 H new ATOM 0 HB2 LEU A 83 3.611 -4.452 1.643 1.00 0.44 H new ATOM 0 HB3 LEU A 83 3.330 -5.273 3.166 1.00 0.44 H new ATOM 0 HG LEU A 83 5.693 -6.192 2.993 1.00 0.49 H new ATOM 0 HD11 LEU A 83 7.302 -4.969 1.583 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.101 -5.862 0.620 1.00 0.67 H new ATOM 0 HD13 LEU A 83 5.953 -4.100 0.814 1.00 0.67 H new ATOM 0 HD21 LEU A 83 6.731 -4.076 3.793 1.00 0.61 H new ATOM 0 HD22 LEU A 83 5.334 -3.170 3.164 1.00 0.61 H new ATOM 0 HD23 LEU A 83 5.116 -4.333 4.494 1.00 0.61 H new ATOM 1345 N ALA A 84 0.985 -6.236 1.374 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.438 -6.484 1.683 1.00 0.45 C ATOM 1347 C ALA A 84 -1.061 -7.580 0.784 1.00 0.45 C ATOM 1348 O ALA A 84 -2.136 -8.101 1.104 1.00 0.55 O ATOM 1349 CB ALA A 84 -1.235 -5.184 1.561 1.00 0.54 C ATOM 0 H ALA A 84 1.138 -5.454 0.737 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.485 -6.850 2.709 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -2.283 -5.377 1.791 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -0.840 -4.448 2.261 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -1.151 -4.800 0.544 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.388 -7.916 -0.340 1.00 0.42 N ATOM 1356 CA LYS A 85 -0.855 -8.949 -1.285 1.00 0.46 C ATOM 1357 C LYS A 85 -0.281 -10.343 -0.926 1.00 0.47 C ATOM 1358 O LYS A 85 -0.915 -11.360 -1.210 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.447 -8.558 -2.725 1.00 0.49 C ATOM 1360 CG LYS A 85 -1.132 -9.362 -3.840 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.353 -9.342 -5.167 1.00 0.64 C ATOM 1362 CE LYS A 85 -0.419 -7.994 -5.902 1.00 0.69 C ATOM 1363 NZ LYS A 85 0.666 -7.051 -5.492 1.00 0.96 N ATOM 0 H LYS A 85 0.492 -7.478 -0.615 1.00 0.42 H new ATOM 0 HA LYS A 85 -1.941 -9.010 -1.218 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.667 -7.501 -2.874 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.632 -8.676 -2.824 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -1.253 -10.395 -3.513 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -2.132 -8.961 -4.007 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.690 -9.587 -4.969 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -0.745 -10.121 -5.820 1.00 0.64 H new ATOM 0 HE2 LYS A 85 -0.354 -8.169 -6.976 1.00 0.69 H new ATOM 0 HE3 LYS A 85 -1.387 -7.530 -5.712 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 0.632 -6.201 -6.091 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 0.532 -6.779 -4.497 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 1.590 -7.516 -5.602 1.00 0.96 H new ATOM 1377 N GLU A 86 0.923 -10.375 -0.309 1.00 0.42 N ATOM 1378 CA GLU A 86 1.589 -11.635 0.083 1.00 0.46 C ATOM 1379 C GLU A 86 1.139 -12.120 1.479 1.00 0.52 C ATOM 1380 O GLU A 86 1.169 -13.324 1.741 1.00 0.92 O ATOM 1381 CB GLU A 86 3.126 -11.472 0.054 1.00 0.49 C ATOM 1382 CG GLU A 86 3.722 -11.233 -1.341 1.00 0.55 C ATOM 1383 CD GLU A 86 3.986 -12.514 -2.118 1.00 1.03 C ATOM 1384 OE1 GLU A 86 5.004 -13.178 -1.836 1.00 1.52 O ATOM 1385 OE2 GLU A 86 3.176 -12.847 -3.011 1.00 1.65 O ATOM 0 H GLU A 86 1.454 -9.537 -0.072 1.00 0.42 H new ATOM 0 HA GLU A 86 1.293 -12.391 -0.644 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.401 -10.637 0.699 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.580 -12.367 0.479 1.00 0.49 H new ATOM 0 HG2 GLU A 86 3.042 -10.604 -1.915 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.656 -10.681 -1.238 1.00 0.55 H new ATOM 1392 N ILE A 87 0.721 -11.186 2.375 1.00 0.44 N ATOM 1393 CA ILE A 87 0.265 -11.548 3.741 1.00 0.47 C ATOM 1394 C ILE A 87 -0.939 -12.525 3.705 1.00 0.51 C ATOM 1395 O ILE A 87 -0.936 -13.533 4.417 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.058 -10.265 4.606 1.00 0.51 C ATOM 1397 CG1 ILE A 87 -0.063 -10.567 6.139 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -1.352 -9.556 4.165 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -1.207 -11.432 6.659 1.00 0.66 C ATOM 0 H ILE A 87 0.691 -10.186 2.177 1.00 0.44 H new ATOM 0 HA ILE A 87 1.090 -12.069 4.226 1.00 0.47 H new ATOM 0 HB ILE A 87 0.759 -9.569 4.417 1.00 0.51 H new ATOM 0 HG12 ILE A 87 0.877 -11.056 6.393 1.00 0.59 H new ATOM 0 HG13 ILE A 87 -0.083 -9.617 6.674 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -1.521 -8.683 4.795 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -1.258 -9.241 3.126 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.194 -10.242 4.261 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -1.099 -11.570 7.735 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -2.158 -10.942 6.449 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -1.183 -12.403 6.165 1.00 0.66 H new ATOM 1411 N ARG A 88 -1.946 -12.234 2.854 1.00 0.54 N ATOM 1412 CA ARG A 88 -3.141 -13.088 2.738 1.00 0.68 C ATOM 1413 C ARG A 88 -2.891 -14.288 1.800 1.00 0.68 C ATOM 1414 O ARG A 88 -3.385 -15.389 2.072 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.398 -12.263 2.320 1.00 0.83 C ATOM 1416 CG ARG A 88 -4.588 -11.974 0.819 1.00 0.91 C ATOM 1417 CD ARG A 88 -3.662 -10.884 0.286 1.00 1.05 C ATOM 1418 NE ARG A 88 -3.805 -10.691 -1.169 1.00 1.18 N ATOM 1419 CZ ARG A 88 -4.802 -10.006 -1.776 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -5.824 -9.493 -1.082 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -4.774 -9.848 -3.098 1.00 1.73 N ATOM 0 H ARG A 88 -1.953 -11.418 2.242 1.00 0.54 H new ATOM 0 HA ARG A 88 -3.349 -13.498 3.726 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.282 -12.792 2.676 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.365 -11.309 2.845 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -4.417 -12.892 0.256 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -5.622 -11.679 0.642 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -3.877 -9.946 0.798 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -2.629 -11.144 0.516 1.00 1.05 H new ATOM 0 HE ARG A 88 -3.093 -11.109 -1.768 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -5.865 -9.614 -0.070 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -6.562 -8.981 -1.565 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -4.006 -10.241 -3.643 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -5.520 -9.334 -3.566 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.123 -14.081 0.699 1.00 0.58 N ATOM 1436 CA LYS A 89 -1.817 -15.169 -0.250 1.00 0.64 C ATOM 1437 C LYS A 89 -0.476 -14.952 -0.993 1.00 0.58 C ATOM 1438 O LYS A 89 -0.349 -14.036 -1.815 1.00 0.69 O ATOM 1439 CB LYS A 89 -2.979 -15.372 -1.265 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.257 -14.183 -2.198 1.00 0.77 C ATOM 1441 CD LYS A 89 -4.505 -14.397 -3.064 1.00 1.00 C ATOM 1442 CE LYS A 89 -4.638 -13.334 -4.159 1.00 1.22 C ATOM 1443 NZ LYS A 89 -3.651 -13.523 -5.267 1.00 1.52 N ATOM 0 H LYS A 89 -1.712 -13.180 0.454 1.00 0.58 H new ATOM 0 HA LYS A 89 -1.710 -16.077 0.344 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -2.756 -16.247 -1.876 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -3.889 -15.596 -0.709 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -3.383 -13.279 -1.602 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -2.394 -14.022 -2.844 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -4.462 -15.385 -3.522 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -5.392 -14.377 -2.431 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -5.648 -13.363 -4.568 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -4.501 -12.346 -3.720 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -3.838 -12.831 -6.020 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -2.687 -13.384 -4.901 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -3.740 -14.485 -5.651 1.00 1.52 H new ATOM 1457 N LYS A 90 0.534 -15.782 -0.664 1.00 0.56 N ATOM 1458 CA LYS A 90 1.851 -15.747 -1.337 1.00 0.55 C ATOM 1459 C LYS A 90 1.940 -16.920 -2.334 1.00 0.55 C ATOM 1460 O LYS A 90 2.491 -16.776 -3.430 1.00 0.60 O ATOM 1461 CB LYS A 90 3.033 -15.769 -0.328 1.00 0.61 C ATOM 1462 CG LYS A 90 2.997 -16.880 0.745 1.00 0.71 C ATOM 1463 CD LYS A 90 2.455 -16.388 2.095 1.00 0.97 C ATOM 1464 CE LYS A 90 3.493 -15.579 2.885 1.00 1.39 C ATOM 1465 NZ LYS A 90 4.506 -16.450 3.556 1.00 1.87 N ATOM 0 H LYS A 90 0.463 -16.489 0.068 1.00 0.56 H new ATOM 0 HA LYS A 90 1.936 -14.804 -1.877 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.961 -15.867 -0.891 1.00 0.61 H new ATOM 0 HB3 LYS A 90 3.068 -14.805 0.179 1.00 0.61 H new ATOM 0 HG2 LYS A 90 2.378 -17.703 0.388 1.00 0.71 H new ATOM 0 HG3 LYS A 90 4.003 -17.276 0.885 1.00 0.71 H new ATOM 0 HD2 LYS A 90 1.571 -15.772 1.926 1.00 0.97 H new ATOM 0 HD3 LYS A 90 2.138 -17.245 2.690 1.00 0.97 H new ATOM 0 HE2 LYS A 90 4.001 -14.889 2.211 1.00 1.39 H new ATOM 0 HE3 LYS A 90 2.984 -14.975 3.636 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 4.938 -15.933 4.348 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 4.042 -17.309 3.915 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 5.243 -16.715 2.872 1.00 1.87 H new ATOM 1479 N LYS A 91 1.381 -18.080 -1.930 1.00 0.57 N ATOM 1480 CA LYS A 91 1.316 -19.291 -2.752 1.00 0.64 C ATOM 1481 C LYS A 91 -0.160 -19.740 -2.790 1.00 0.69 C ATOM 1482 O LYS A 91 -0.524 -20.773 -2.218 1.00 0.71 O ATOM 1483 CB LYS A 91 2.230 -20.393 -2.168 1.00 0.72 C ATOM 1484 CG LYS A 91 3.726 -20.088 -2.271 1.00 0.85 C ATOM 1485 CD LYS A 91 4.579 -21.142 -1.555 1.00 0.97 C ATOM 1486 CE LYS A 91 6.078 -20.839 -1.635 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.651 -21.120 -2.987 1.00 1.53 N ATOM 0 H LYS A 91 0.958 -18.196 -1.009 1.00 0.57 H new ATOM 0 HA LYS A 91 1.671 -19.095 -3.764 1.00 0.64 H new ATOM 0 HB2 LYS A 91 1.973 -20.544 -1.120 1.00 0.72 H new ATOM 0 HB3 LYS A 91 2.025 -21.331 -2.685 1.00 0.72 H new ATOM 0 HG2 LYS A 91 4.015 -20.041 -3.321 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.926 -19.107 -1.841 1.00 0.85 H new ATOM 0 HD2 LYS A 91 4.279 -21.198 -0.509 1.00 0.97 H new ATOM 0 HD3 LYS A 91 4.386 -22.120 -1.995 1.00 0.97 H new ATOM 0 HE2 LYS A 91 6.247 -19.792 -1.384 1.00 1.29 H new ATOM 0 HE3 LYS A 91 6.605 -21.435 -0.890 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.667 -20.898 -2.986 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 6.516 -22.125 -3.219 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 6.169 -20.533 -3.697 1.00 1.53 H new ATOM 1501 N ASP A 92 -1.007 -18.921 -3.459 1.00 0.78 N ATOM 1502 CA ASP A 92 -2.474 -19.155 -3.562 1.00 0.87 C ATOM 1503 C ASP A 92 -2.862 -20.590 -3.988 1.00 1.03 C ATOM 1504 O ASP A 92 -3.882 -21.111 -3.524 1.00 1.81 O ATOM 1505 CB ASP A 92 -3.125 -18.120 -4.511 1.00 0.89 C ATOM 1506 CG ASP A 92 -2.552 -18.133 -5.923 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -3.063 -18.901 -6.762 1.00 1.18 O ATOM 1508 OD2 ASP A 92 -1.591 -17.377 -6.181 1.00 1.01 O ATOM 0 H ASP A 92 -0.696 -18.079 -3.943 1.00 0.78 H new ATOM 0 HA ASP A 92 -2.861 -19.029 -2.551 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -4.197 -18.312 -4.562 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -3.000 -17.124 -4.087 1.00 0.89 H new ATOM 1513 N LEU A 93 -2.050 -21.222 -4.857 1.00 0.67 N ATOM 1514 CA LEU A 93 -2.326 -22.590 -5.335 1.00 0.70 C ATOM 1515 C LEU A 93 -1.870 -23.666 -4.314 1.00 0.70 C ATOM 1516 O LEU A 93 -2.510 -24.716 -4.209 1.00 0.79 O ATOM 1517 CB LEU A 93 -1.656 -22.820 -6.716 1.00 0.77 C ATOM 1518 CG LEU A 93 -2.385 -23.796 -7.670 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -3.695 -23.192 -8.194 1.00 1.24 C ATOM 1520 CD2 LEU A 93 -1.476 -24.195 -8.838 1.00 1.15 C ATOM 0 H LEU A 93 -1.200 -20.809 -5.241 1.00 0.67 H new ATOM 0 HA LEU A 93 -3.406 -22.692 -5.444 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -1.562 -21.856 -7.217 1.00 0.77 H new ATOM 0 HB3 LEU A 93 -0.645 -23.193 -6.550 1.00 0.77 H new ATOM 0 HG LEU A 93 -2.632 -24.691 -7.099 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -4.182 -23.903 -8.861 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -4.355 -22.971 -7.355 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -3.480 -22.273 -8.738 1.00 1.24 H new ATOM 0 HD21 LEU A 93 -2.009 -24.881 -9.496 1.00 1.15 H new ATOM 0 HD22 LEU A 93 -1.190 -23.304 -9.398 1.00 1.15 H new ATOM 0 HD23 LEU A 93 -0.581 -24.683 -8.452 1.00 1.15 H new ATOM 1532 N LYS A 94 -0.773 -23.397 -3.561 1.00 0.70 N ATOM 1533 CA LYS A 94 -0.246 -24.353 -2.554 1.00 0.77 C ATOM 1534 C LYS A 94 -1.009 -24.237 -1.211 1.00 0.71 C ATOM 1535 O LYS A 94 -1.620 -25.212 -0.765 1.00 0.77 O ATOM 1536 CB LYS A 94 1.276 -24.137 -2.336 1.00 0.92 C ATOM 1537 CG LYS A 94 2.012 -25.329 -1.701 1.00 1.09 C ATOM 1538 CD LYS A 94 2.385 -26.402 -2.733 1.00 1.23 C ATOM 1539 CE LYS A 94 3.009 -27.647 -2.089 1.00 1.57 C ATOM 1540 NZ LYS A 94 1.988 -28.545 -1.466 1.00 1.73 N ATOM 0 H LYS A 94 -0.239 -22.531 -3.632 1.00 0.70 H new ATOM 0 HA LYS A 94 -0.402 -25.360 -2.941 1.00 0.77 H new ATOM 0 HB2 LYS A 94 1.738 -23.913 -3.297 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.417 -23.261 -1.702 1.00 0.92 H new ATOM 0 HG2 LYS A 94 2.916 -24.973 -1.207 1.00 1.09 H new ATOM 0 HG3 LYS A 94 1.382 -25.773 -0.930 1.00 1.09 H new ATOM 0 HD2 LYS A 94 1.493 -26.693 -3.288 1.00 1.23 H new ATOM 0 HD3 LYS A 94 3.086 -25.980 -3.454 1.00 1.23 H new ATOM 0 HE2 LYS A 94 3.564 -28.203 -2.845 1.00 1.57 H new ATOM 0 HE3 LYS A 94 3.727 -27.338 -1.330 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 2.462 -29.370 -1.046 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 1.475 -28.026 -0.725 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 1.317 -28.864 -2.193 1.00 1.73 H new ATOM 1554 N ILE A 95 -0.963 -23.042 -0.578 1.00 0.68 N ATOM 1555 CA ILE A 95 -1.647 -22.777 0.712 1.00 0.67 C ATOM 1556 C ILE A 95 -2.769 -21.743 0.508 1.00 0.67 C ATOM 1557 O ILE A 95 -2.541 -20.698 -0.109 1.00 0.77 O ATOM 1558 CB ILE A 95 -0.651 -22.299 1.835 1.00 0.75 C ATOM 1559 CG1 ILE A 95 0.298 -21.181 1.322 1.00 0.87 C ATOM 1560 CG2 ILE A 95 0.147 -23.497 2.364 1.00 0.85 C ATOM 1561 CD1 ILE A 95 1.107 -20.482 2.403 1.00 1.06 C ATOM 0 H ILE A 95 -0.454 -22.237 -0.944 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.078 -23.718 1.053 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.234 -21.872 2.651 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.986 -21.614 0.596 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.295 -20.435 0.793 1.00 0.87 H new ATOM 0 HG21 ILE A 95 0.835 -23.162 3.140 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -0.538 -24.235 2.780 1.00 0.85 H new ATOM 0 HG23 ILE A 95 0.713 -23.946 1.548 1.00 0.85 H new ATOM 0 HD11 ILE A 95 1.739 -19.719 1.948 1.00 1.06 H new ATOM 0 HD12 ILE A 95 0.431 -20.014 3.118 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.732 -21.211 2.918 1.00 1.06 H new ATOM 1573 N ARG A 96 -3.985 -22.043 1.024 1.00 0.71 N ATOM 1574 CA ARG A 96 -5.157 -21.151 0.854 1.00 0.77 C ATOM 1575 C ARG A 96 -6.099 -21.134 2.085 1.00 0.77 C ATOM 1576 O ARG A 96 -7.326 -21.057 1.935 1.00 0.93 O ATOM 1577 CB ARG A 96 -5.936 -21.558 -0.421 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.312 -23.041 -0.493 1.00 1.05 C ATOM 1579 CD ARG A 96 -7.141 -23.368 -1.735 1.00 1.26 C ATOM 1580 NE ARG A 96 -8.586 -23.182 -1.516 1.00 1.40 N ATOM 1581 CZ ARG A 96 -9.529 -23.219 -2.479 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -9.202 -23.363 -3.770 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -10.812 -23.098 -2.145 1.00 2.18 N ATOM 0 H ARG A 96 -4.179 -22.890 1.558 1.00 0.71 H new ATOM 0 HA ARG A 96 -4.776 -20.135 0.752 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -6.847 -20.963 -0.480 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.334 -21.307 -1.294 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -5.404 -23.644 -0.495 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -6.875 -23.315 0.399 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -6.818 -22.734 -2.561 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -6.952 -24.399 -2.032 1.00 1.26 H new ATOM 0 HE ARG A 96 -8.898 -23.012 -0.560 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -8.222 -23.447 -4.042 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -9.933 -23.388 -4.481 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -11.075 -22.978 -1.167 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -11.532 -23.125 -2.867 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.527 -21.188 3.303 1.00 0.72 N ATOM 1598 CA LYS A 97 -6.326 -21.154 4.545 1.00 0.75 C ATOM 1599 C LYS A 97 -5.446 -20.814 5.765 1.00 0.74 C ATOM 1600 O LYS A 97 -5.180 -21.666 6.621 1.00 0.95 O ATOM 1601 CB LYS A 97 -7.125 -22.469 4.763 1.00 0.87 C ATOM 1602 CG LYS A 97 -6.309 -23.766 4.651 1.00 0.94 C ATOM 1603 CD LYS A 97 -7.130 -25.010 5.036 1.00 1.10 C ATOM 1604 CE LYS A 97 -6.972 -25.400 6.514 1.00 1.36 C ATOM 1605 NZ LYS A 97 -7.592 -24.413 7.451 1.00 1.74 N ATOM 0 H LYS A 97 -4.520 -21.255 3.454 1.00 0.72 H new ATOM 0 HA LYS A 97 -7.060 -20.356 4.434 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -7.585 -22.434 5.750 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -7.935 -22.506 4.035 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -5.945 -23.876 3.630 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -5.433 -23.698 5.296 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -8.183 -24.823 4.826 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -6.824 -25.848 4.410 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -7.424 -26.379 6.676 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -5.912 -25.496 6.747 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -7.682 -24.840 8.395 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -6.992 -23.566 7.509 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -8.534 -24.146 7.101 1.00 1.74 H new ATOM 1619 N LYS A 98 -4.997 -19.544 5.823 1.00 0.69 N ATOM 1620 CA LYS A 98 -4.144 -19.045 6.911 1.00 0.72 C ATOM 1621 C LYS A 98 -4.911 -18.020 7.755 1.00 0.76 C ATOM 1622 O LYS A 98 -5.291 -18.297 8.893 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.857 -18.427 6.323 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.809 -18.011 7.361 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.569 -17.399 6.705 1.00 1.35 C ATOM 1626 CE LYS A 98 0.470 -16.941 7.731 1.00 1.61 C ATOM 1627 NZ LYS A 98 1.148 -18.085 8.413 1.00 1.71 N ATOM 0 H LYS A 98 -5.217 -18.841 5.118 1.00 0.69 H new ATOM 0 HA LYS A 98 -3.863 -19.874 7.560 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -2.405 -19.146 5.640 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -3.128 -17.553 5.731 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -2.248 -17.291 8.051 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -1.517 -18.880 7.950 1.00 1.04 H new ATOM 0 HD2 LYS A 98 -0.117 -18.131 6.036 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -0.868 -16.549 6.091 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.219 -16.324 7.234 1.00 1.61 H new ATOM 0 HE3 LYS A 98 -0.015 -16.313 8.478 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 1.841 -17.720 9.097 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 0.440 -18.661 8.912 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 1.635 -18.671 7.706 1.00 1.71 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -5.542 -17.763 2.770 1.00 0.85 N ATOM 1643 CA MET B 1 -6.417 -16.770 2.146 1.00 0.86 C ATOM 1644 C MET B 1 -6.751 -15.602 3.100 1.00 0.76 C ATOM 1645 O MET B 1 -6.994 -14.486 2.635 1.00 0.93 O ATOM 1646 CB MET B 1 -7.715 -17.432 1.629 1.00 1.04 C ATOM 1647 CG MET B 1 -8.574 -18.101 2.705 1.00 1.09 C ATOM 1648 SD MET B 1 -10.056 -18.898 2.043 1.00 1.44 S ATOM 1649 CE MET B 1 -10.938 -19.269 3.558 1.00 1.75 C ATOM 0 H1 MET B 1 -5.291 -18.492 2.072 1.00 0.85 H new ATOM 0 H2 MET B 1 -4.677 -17.298 3.112 1.00 0.85 H new ATOM 0 H3 MET B 1 -6.036 -18.206 3.571 1.00 0.85 H new ATOM 0 HA MET B 1 -5.871 -16.352 1.300 1.00 0.86 H new ATOM 0 HB2 MET B 1 -8.315 -16.674 1.125 1.00 1.04 H new ATOM 0 HB3 MET B 1 -7.451 -18.179 0.880 1.00 1.04 H new ATOM 0 HG2 MET B 1 -7.974 -18.844 3.229 1.00 1.09 H new ATOM 0 HG3 MET B 1 -8.870 -17.353 3.441 1.00 1.09 H new ATOM 0 HE1 MET B 1 -11.879 -19.765 3.319 1.00 1.75 H new ATOM 0 HE2 MET B 1 -10.330 -19.925 4.182 1.00 1.75 H new ATOM 0 HE3 MET B 1 -11.142 -18.343 4.096 1.00 1.75 H new ATOM 1659 N ALA B 2 -6.775 -15.866 4.428 1.00 0.73 N ATOM 1660 CA ALA B 2 -7.095 -14.834 5.433 1.00 0.67 C ATOM 1661 C ALA B 2 -5.826 -14.131 5.959 1.00 0.60 C ATOM 1662 O ALA B 2 -4.712 -14.626 5.761 1.00 0.68 O ATOM 1663 CB ALA B 2 -7.892 -15.451 6.583 1.00 0.78 C ATOM 0 H ALA B 2 -6.576 -16.785 4.824 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.705 -14.072 4.948 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -8.123 -14.681 7.319 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -8.819 -15.874 6.197 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -7.302 -16.238 7.053 1.00 0.78 H new ATOM 1669 N ALA B 3 -6.013 -12.977 6.640 1.00 0.57 N ATOM 1670 CA ALA B 3 -4.891 -12.187 7.188 1.00 0.57 C ATOM 1671 C ALA B 3 -4.729 -12.415 8.703 1.00 0.58 C ATOM 1672 O ALA B 3 -5.694 -12.266 9.462 1.00 0.69 O ATOM 1673 CB ALA B 3 -5.089 -10.699 6.871 1.00 0.64 C ATOM 0 H ALA B 3 -6.932 -12.574 6.822 1.00 0.57 H new ATOM 0 HA ALA B 3 -3.971 -12.524 6.711 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -4.257 -10.126 7.279 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -5.130 -10.559 5.791 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -6.021 -10.353 7.317 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.496 -12.763 9.131 1.00 0.56 N ATOM 1680 CA GLU B 4 -3.177 -13.021 10.548 1.00 0.59 C ATOM 1681 C GLU B 4 -1.919 -12.219 10.970 1.00 0.56 C ATOM 1682 O GLU B 4 -0.944 -12.185 10.209 1.00 0.54 O ATOM 1683 CB GLU B 4 -2.938 -14.536 10.748 1.00 0.66 C ATOM 1684 CG GLU B 4 -2.934 -14.998 12.207 1.00 0.79 C ATOM 1685 CD GLU B 4 -2.709 -16.495 12.357 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -1.539 -16.931 12.287 1.00 1.00 O ATOM 1687 OE2 GLU B 4 -3.700 -17.231 12.544 1.00 1.10 O ATOM 0 H GLU B 4 -2.698 -12.872 8.505 1.00 0.56 H new ATOM 0 HA GLU B 4 -4.012 -12.701 11.171 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -3.710 -15.086 10.210 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -1.983 -14.802 10.295 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -2.154 -14.463 12.749 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -3.884 -14.731 12.669 1.00 0.79 H new ATOM 1694 N PRO B 5 -1.907 -11.570 12.183 1.00 0.62 N ATOM 1695 CA PRO B 5 -0.744 -10.785 12.653 1.00 0.65 C ATOM 1696 C PRO B 5 0.395 -11.673 13.206 1.00 0.59 C ATOM 1697 O PRO B 5 0.137 -12.602 13.980 1.00 0.68 O ATOM 1698 CB PRO B 5 -1.345 -9.899 13.752 1.00 0.83 C ATOM 1699 CG PRO B 5 -2.483 -10.687 14.308 1.00 0.80 C ATOM 1700 CD PRO B 5 -3.013 -11.538 13.180 1.00 0.73 C ATOM 0 HA PRO B 5 -0.273 -10.223 11.846 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -0.608 -9.673 14.523 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -1.686 -8.946 13.348 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -2.153 -11.309 15.140 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -3.260 -10.026 14.692 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -3.265 -12.541 13.525 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -3.920 -11.110 12.753 1.00 0.73 H new ATOM 1708 N LEU B 6 1.650 -11.371 12.805 1.00 0.61 N ATOM 1709 CA LEU B 6 2.838 -12.133 13.246 1.00 0.70 C ATOM 1710 C LEU B 6 3.878 -11.215 13.928 1.00 0.73 C ATOM 1711 O LEU B 6 4.218 -11.427 15.096 1.00 1.24 O ATOM 1712 CB LEU B 6 3.474 -12.865 12.041 1.00 0.87 C ATOM 1713 CG LEU B 6 2.641 -14.011 11.416 1.00 0.95 C ATOM 1714 CD1 LEU B 6 3.159 -14.358 10.018 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.647 -15.256 12.314 1.00 1.08 C ATOM 0 H LEU B 6 1.866 -10.600 12.173 1.00 0.61 H new ATOM 0 HA LEU B 6 2.513 -12.869 13.982 1.00 0.70 H new ATOM 0 HB2 LEU B 6 3.680 -12.129 11.264 1.00 0.87 H new ATOM 0 HB3 LEU B 6 4.434 -13.273 12.357 1.00 0.87 H new ATOM 0 HG LEU B 6 1.612 -13.663 11.328 1.00 0.95 H new ATOM 0 HD11 LEU B 6 2.559 -15.165 9.598 1.00 1.18 H new ATOM 0 HD12 LEU B 6 3.087 -13.481 9.375 1.00 1.18 H new ATOM 0 HD13 LEU B 6 4.200 -14.676 10.084 1.00 1.18 H new ATOM 0 HD21 LEU B 6 2.054 -16.043 11.849 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.671 -15.604 12.447 1.00 1.08 H new ATOM 0 HD23 LEU B 6 2.220 -15.006 13.285 1.00 1.08 H new ATOM 1727 N THR B 7 4.371 -10.195 13.191 1.00 0.52 N ATOM 1728 CA THR B 7 5.371 -9.231 13.699 1.00 0.50 C ATOM 1729 C THR B 7 4.794 -7.797 13.632 1.00 0.48 C ATOM 1730 O THR B 7 3.751 -7.588 13.011 1.00 0.53 O ATOM 1731 CB THR B 7 6.700 -9.343 12.880 1.00 0.53 C ATOM 1732 OG1 THR B 7 6.990 -10.725 12.616 1.00 0.92 O ATOM 1733 CG2 THR B 7 7.897 -8.733 13.615 1.00 1.06 C ATOM 0 H THR B 7 4.087 -10.017 12.228 1.00 0.52 H new ATOM 0 HA THR B 7 5.600 -9.464 14.739 1.00 0.50 H new ATOM 0 HB THR B 7 6.548 -8.787 11.955 1.00 0.53 H new ATOM 0 HG1 THR B 7 6.626 -10.974 11.741 1.00 0.92 H new ATOM 0 HG21 THR B 7 8.792 -8.838 13.002 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.708 -7.676 13.804 1.00 1.06 H new ATOM 0 HG23 THR B 7 8.044 -9.250 14.563 1.00 1.06 H new ATOM 1741 N GLU B 8 5.468 -6.815 14.278 1.00 0.49 N ATOM 1742 CA GLU B 8 5.007 -5.402 14.293 1.00 0.49 C ATOM 1743 C GLU B 8 4.796 -4.824 12.875 1.00 0.44 C ATOM 1744 O GLU B 8 3.759 -4.211 12.612 1.00 0.47 O ATOM 1745 CB GLU B 8 5.991 -4.512 15.092 1.00 0.54 C ATOM 1746 CG GLU B 8 5.403 -3.174 15.550 1.00 0.95 C ATOM 1747 CD GLU B 8 6.402 -2.319 16.311 1.00 1.01 C ATOM 1748 OE1 GLU B 8 6.545 -2.518 17.537 1.00 1.29 O ATOM 1749 OE2 GLU B 8 7.039 -1.449 15.680 1.00 1.51 O ATOM 0 H GLU B 8 6.332 -6.974 14.796 1.00 0.49 H new ATOM 0 HA GLU B 8 4.035 -5.400 14.787 1.00 0.49 H new ATOM 0 HB2 GLU B 8 6.332 -5.064 15.968 1.00 0.54 H new ATOM 0 HB3 GLU B 8 6.869 -4.318 14.476 1.00 0.54 H new ATOM 0 HG2 GLU B 8 5.048 -2.622 14.680 1.00 0.95 H new ATOM 0 HG3 GLU B 8 4.536 -3.362 16.183 1.00 0.95 H new ATOM 1756 N LEU B 9 5.774 -5.032 11.965 1.00 0.42 N ATOM 1757 CA LEU B 9 5.681 -4.518 10.580 1.00 0.39 C ATOM 1758 C LEU B 9 4.645 -5.288 9.744 1.00 0.38 C ATOM 1759 O LEU B 9 3.970 -4.688 8.904 1.00 0.39 O ATOM 1760 CB LEU B 9 7.056 -4.540 9.886 1.00 0.41 C ATOM 1761 CG LEU B 9 8.142 -3.617 10.494 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.483 -3.838 9.797 1.00 0.63 C ATOM 1763 CD2 LEU B 9 7.737 -2.138 10.417 1.00 0.65 C ATOM 0 H LEU B 9 6.631 -5.549 12.163 1.00 0.42 H new ATOM 0 HA LEU B 9 5.343 -3.484 10.650 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.430 -5.564 9.898 1.00 0.41 H new ATOM 0 HB3 LEU B 9 6.917 -4.264 8.841 1.00 0.41 H new ATOM 0 HG LEU B 9 8.244 -3.878 11.547 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.234 -3.182 10.237 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.791 -4.876 9.921 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.382 -3.614 8.735 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.524 -1.522 10.853 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.590 -1.855 9.375 1.00 0.65 H new ATOM 0 HD23 LEU B 9 6.809 -1.986 10.968 1.00 0.65 H new ATOM 1775 N GLU B 10 4.528 -6.617 9.965 1.00 0.39 N ATOM 1776 CA GLU B 10 3.536 -7.451 9.248 1.00 0.41 C ATOM 1777 C GLU B 10 2.120 -7.098 9.722 1.00 0.42 C ATOM 1778 O GLU B 10 1.206 -6.970 8.909 1.00 0.47 O ATOM 1779 CB GLU B 10 3.786 -8.955 9.472 1.00 0.46 C ATOM 1780 CG GLU B 10 5.160 -9.440 9.025 1.00 0.50 C ATOM 1781 CD GLU B 10 5.310 -10.954 9.106 1.00 0.56 C ATOM 1782 OE1 GLU B 10 4.763 -11.655 8.227 1.00 0.95 O ATOM 1783 OE2 GLU B 10 5.976 -11.436 10.046 1.00 0.95 O ATOM 0 H GLU B 10 5.104 -7.133 10.630 1.00 0.39 H new ATOM 0 HA GLU B 10 3.639 -7.243 8.183 1.00 0.41 H new ATOM 0 HB2 GLU B 10 3.663 -9.177 10.532 1.00 0.46 H new ATOM 0 HB3 GLU B 10 3.023 -9.521 8.937 1.00 0.46 H new ATOM 0 HG2 GLU B 10 5.338 -9.117 7.999 1.00 0.50 H new ATOM 0 HG3 GLU B 10 5.924 -8.971 9.644 1.00 0.50 H new ATOM 1790 N GLU B 11 1.968 -6.938 11.058 1.00 0.42 N ATOM 1791 CA GLU B 11 0.686 -6.582 11.695 1.00 0.45 C ATOM 1792 C GLU B 11 0.176 -5.204 11.223 1.00 0.43 C ATOM 1793 O GLU B 11 -1.032 -5.015 11.087 1.00 0.45 O ATOM 1794 CB GLU B 11 0.841 -6.604 13.235 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.434 -6.296 14.024 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.246 -6.455 15.523 1.00 0.70 C ATOM 1797 OE1 GLU B 11 -0.347 -7.598 16.016 1.00 0.82 O ATOM 1798 OE2 GLU B 11 0.004 -5.437 16.201 1.00 0.85 O ATOM 0 H GLU B 11 2.734 -7.053 11.722 1.00 0.42 H new ATOM 0 HA GLU B 11 -0.056 -7.322 11.396 1.00 0.45 H new ATOM 0 HB2 GLU B 11 1.205 -7.587 13.533 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.607 -5.882 13.517 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -0.753 -5.277 13.808 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -1.233 -6.958 13.689 1.00 0.62 H new ATOM 1805 N SER B 12 1.104 -4.250 10.969 1.00 0.43 N ATOM 1806 CA SER B 12 0.740 -2.892 10.515 1.00 0.44 C ATOM 1807 C SER B 12 -0.035 -2.921 9.180 1.00 0.42 C ATOM 1808 O SER B 12 -1.147 -2.395 9.111 1.00 0.47 O ATOM 1809 CB SER B 12 1.985 -2.000 10.403 1.00 0.48 C ATOM 1810 OG SER B 12 2.623 -1.860 11.665 1.00 0.56 O ATOM 0 H SER B 12 2.108 -4.399 11.072 1.00 0.43 H new ATOM 0 HA SER B 12 0.077 -2.466 11.268 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.682 -2.430 9.684 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.701 -1.018 10.023 1.00 0.48 H new ATOM 0 HG SER B 12 2.985 -2.726 11.947 1.00 0.56 H new ATOM 1816 N ILE B 13 0.551 -3.536 8.125 1.00 0.40 N ATOM 1817 CA ILE B 13 -0.130 -3.650 6.810 1.00 0.41 C ATOM 1818 C ILE B 13 -1.283 -4.689 6.857 1.00 0.41 C ATOM 1819 O ILE B 13 -2.237 -4.591 6.078 1.00 0.48 O ATOM 1820 CB ILE B 13 0.861 -3.973 5.626 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.620 -5.318 5.817 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.858 -2.822 5.437 1.00 0.53 C ATOM 1823 CD1 ILE B 13 0.851 -6.555 5.379 1.00 0.45 C ATOM 0 H ILE B 13 1.480 -3.956 8.155 1.00 0.40 H new ATOM 0 HA ILE B 13 -0.555 -2.667 6.606 1.00 0.41 H new ATOM 0 HB ILE B 13 0.252 -4.081 4.729 1.00 0.46 H new ATOM 0 HG12 ILE B 13 2.555 -5.273 5.259 1.00 0.45 H new ATOM 0 HG13 ILE B 13 1.882 -5.424 6.870 1.00 0.45 H new ATOM 0 HG21 ILE B 13 2.536 -3.059 4.617 1.00 0.53 H new ATOM 0 HG22 ILE B 13 1.316 -1.905 5.207 1.00 0.53 H new ATOM 0 HG23 ILE B 13 2.432 -2.684 6.353 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.461 -7.442 5.551 1.00 0.45 H new ATOM 0 HD12 ILE B 13 -0.072 -6.632 5.954 1.00 0.45 H new ATOM 0 HD13 ILE B 13 0.612 -6.478 4.318 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.183 -5.673 7.786 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.207 -6.725 7.972 1.00 0.43 C ATOM 1837 C GLU B 14 -3.510 -6.156 8.571 1.00 0.45 C ATOM 1838 O GLU B 14 -4.592 -6.667 8.272 1.00 0.48 O ATOM 1839 CB GLU B 14 -1.634 -7.849 8.868 1.00 0.46 C ATOM 1840 CG GLU B 14 -2.579 -9.026 9.162 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.412 -8.868 10.435 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -3.196 -7.895 11.193 1.00 0.92 O ATOM 1843 OE2 GLU B 14 -4.277 -9.733 10.674 1.00 1.00 O ATOM 0 H GLU B 14 -0.392 -5.757 8.424 1.00 0.40 H new ATOM 0 HA GLU B 14 -2.460 -7.135 6.994 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -0.734 -8.241 8.394 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.328 -7.409 9.817 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -3.253 -9.154 8.315 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -1.988 -9.939 9.240 1.00 0.57 H new ATOM 1850 N THR B 15 -3.404 -5.098 9.410 1.00 0.45 N ATOM 1851 CA THR B 15 -4.584 -4.454 10.033 1.00 0.49 C ATOM 1852 C THR B 15 -5.546 -3.866 8.968 1.00 0.47 C ATOM 1853 O THR B 15 -6.750 -3.744 9.220 1.00 0.50 O ATOM 1854 CB THR B 15 -4.145 -3.339 11.036 1.00 0.54 C ATOM 1855 OG1 THR B 15 -3.229 -3.881 11.998 1.00 0.75 O ATOM 1856 CG2 THR B 15 -5.331 -2.724 11.783 1.00 0.88 C ATOM 0 H THR B 15 -2.514 -4.673 9.670 1.00 0.45 H new ATOM 0 HA THR B 15 -5.122 -5.228 10.580 1.00 0.49 H new ATOM 0 HB THR B 15 -3.670 -2.554 10.448 1.00 0.54 H new ATOM 0 HG1 THR B 15 -2.361 -4.038 11.571 1.00 0.75 H new ATOM 0 HG21 THR B 15 -4.971 -1.955 12.467 1.00 0.88 H new ATOM 0 HG22 THR B 15 -6.021 -2.278 11.066 1.00 0.88 H new ATOM 0 HG23 THR B 15 -5.847 -3.500 12.349 1.00 0.88 H new ATOM 1864 N VAL B 16 -5.004 -3.503 7.785 1.00 0.45 N ATOM 1865 CA VAL B 16 -5.806 -2.962 6.667 1.00 0.47 C ATOM 1866 C VAL B 16 -6.581 -4.105 5.956 1.00 0.47 C ATOM 1867 O VAL B 16 -7.646 -3.870 5.380 1.00 0.52 O ATOM 1868 CB VAL B 16 -4.908 -2.187 5.632 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.754 -1.423 4.604 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -3.950 -1.220 6.340 1.00 0.53 C ATOM 0 H VAL B 16 -4.008 -3.576 7.580 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.520 -2.253 7.085 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.321 -2.937 5.102 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -5.097 -0.901 3.908 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.381 -2.125 4.055 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.386 -0.699 5.119 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.344 -0.700 5.598 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -4.525 -0.493 6.913 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.300 -1.779 7.013 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.042 -5.347 6.030 1.00 0.46 N ATOM 1881 CA VAL B 17 -6.658 -6.538 5.401 1.00 0.50 C ATOM 1882 C VAL B 17 -7.620 -7.285 6.385 1.00 0.57 C ATOM 1883 O VAL B 17 -8.062 -8.401 6.083 1.00 0.97 O ATOM 1884 CB VAL B 17 -5.555 -7.539 4.869 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -6.100 -8.466 3.773 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -4.306 -6.802 4.356 1.00 0.55 C ATOM 0 H VAL B 17 -5.173 -5.549 6.525 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.246 -6.178 4.557 1.00 0.50 H new ATOM 0 HB VAL B 17 -5.266 -8.150 5.724 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -5.309 -9.136 3.437 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -6.928 -9.053 4.171 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -6.451 -7.868 2.932 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -3.575 -7.528 4.001 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -4.586 -6.138 3.538 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -3.871 -6.216 5.166 1.00 0.55 H new ATOM 1896 N THR B 18 -7.951 -6.671 7.552 1.00 0.50 N ATOM 1897 CA THR B 18 -8.858 -7.290 8.550 1.00 0.52 C ATOM 1898 C THR B 18 -10.021 -6.359 8.955 1.00 0.54 C ATOM 1899 O THR B 18 -11.166 -6.809 9.055 1.00 0.67 O ATOM 1900 CB THR B 18 -8.097 -7.704 9.839 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.495 -6.552 10.458 1.00 0.58 O ATOM 1902 CG2 THR B 18 -7.018 -8.740 9.540 1.00 0.62 C ATOM 0 H THR B 18 -7.603 -5.751 7.822 1.00 0.50 H new ATOM 0 HA THR B 18 -9.266 -8.173 8.058 1.00 0.52 H new ATOM 0 HB THR B 18 -8.823 -8.147 10.520 1.00 0.56 H new ATOM 0 HG1 THR B 18 -7.020 -6.828 11.270 1.00 0.58 H new ATOM 0 HG21 THR B 18 -6.505 -9.008 10.464 1.00 0.62 H new ATOM 0 HG22 THR B 18 -7.477 -9.630 9.109 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.300 -8.324 8.833 1.00 0.62 H new ATOM 1910 N THR B 19 -9.720 -5.065 9.188 1.00 0.53 N ATOM 1911 CA THR B 19 -10.733 -4.077 9.612 1.00 0.57 C ATOM 1912 C THR B 19 -11.760 -3.768 8.500 1.00 0.57 C ATOM 1913 O THR B 19 -12.968 -3.792 8.758 1.00 0.66 O ATOM 1914 CB THR B 19 -10.060 -2.755 10.091 1.00 0.60 C ATOM 1915 OG1 THR B 19 -8.924 -3.057 10.913 1.00 0.61 O ATOM 1916 CG2 THR B 19 -11.029 -1.876 10.886 1.00 0.69 C ATOM 0 H THR B 19 -8.781 -4.679 9.089 1.00 0.53 H new ATOM 0 HA THR B 19 -11.272 -4.529 10.445 1.00 0.57 H new ATOM 0 HB THR B 19 -9.751 -2.206 9.201 1.00 0.60 H new ATOM 0 HG1 THR B 19 -8.159 -3.283 10.344 1.00 0.61 H new ATOM 0 HG21 THR B 19 -10.520 -0.965 11.201 1.00 0.69 H new ATOM 0 HG22 THR B 19 -11.882 -1.616 10.260 1.00 0.69 H new ATOM 0 HG23 THR B 19 -11.376 -2.420 11.765 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.275 -3.489 7.274 1.00 0.56 N ATOM 1925 CA PHE B 20 -12.158 -3.161 6.134 1.00 0.60 C ATOM 1926 C PHE B 20 -12.523 -4.393 5.273 1.00 0.60 C ATOM 1927 O PHE B 20 -13.385 -4.287 4.395 1.00 0.94 O ATOM 1928 CB PHE B 20 -11.507 -2.073 5.253 1.00 0.68 C ATOM 1929 CG PHE B 20 -12.455 -1.423 4.257 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -13.621 -0.795 4.689 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -12.181 -1.446 2.897 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -14.483 -0.206 3.786 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -13.041 -0.855 1.992 1.00 0.90 C ATOM 1934 CZ PHE B 20 -14.191 -0.235 2.437 1.00 0.97 C ATOM 0 H PHE B 20 -10.281 -3.484 7.047 1.00 0.56 H new ATOM 0 HA PHE B 20 -13.090 -2.788 6.558 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -11.092 -1.300 5.899 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -10.673 -2.515 4.708 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -13.853 -0.769 5.743 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -11.284 -1.932 2.542 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -15.384 0.277 4.134 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -12.814 -0.878 0.936 1.00 0.90 H new ATOM 0 HZ PHE B 20 -14.863 0.228 1.729 1.00 0.97 H new ATOM 1944 N PHE B 21 -11.883 -5.553 5.519 1.00 0.71 N ATOM 1945 CA PHE B 21 -12.166 -6.783 4.747 1.00 0.72 C ATOM 1946 C PHE B 21 -13.537 -7.399 5.106 1.00 0.68 C ATOM 1947 O PHE B 21 -14.092 -8.152 4.306 1.00 0.71 O ATOM 1948 CB PHE B 21 -11.032 -7.822 4.939 1.00 1.01 C ATOM 1949 CG PHE B 21 -10.247 -8.136 3.679 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -9.668 -7.120 2.923 1.00 1.93 C ATOM 1951 CD2 PHE B 21 -10.087 -9.447 3.246 1.00 2.26 C ATOM 1952 CE1 PHE B 21 -8.957 -7.405 1.778 1.00 2.67 C ATOM 1953 CE2 PHE B 21 -9.373 -9.735 2.102 1.00 2.92 C ATOM 1954 CZ PHE B 21 -8.807 -8.713 1.367 1.00 3.08 C ATOM 0 H PHE B 21 -11.171 -5.666 6.241 1.00 0.71 H new ATOM 0 HA PHE B 21 -12.209 -6.498 3.696 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -10.343 -7.453 5.699 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -11.464 -8.746 5.323 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -9.778 -6.093 3.239 1.00 1.93 H new ATOM 0 HD2 PHE B 21 -10.529 -10.252 3.814 1.00 2.26 H new ATOM 0 HE1 PHE B 21 -8.517 -6.604 1.202 1.00 2.67 H new ATOM 0 HE2 PHE B 21 -9.257 -10.760 1.781 1.00 2.92 H new ATOM 0 HZ PHE B 21 -8.247 -8.937 0.471 1.00 3.08 H new ATOM 1964 N THR B 22 -14.072 -7.083 6.308 1.00 0.76 N ATOM 1965 CA THR B 22 -15.389 -7.588 6.747 1.00 0.91 C ATOM 1966 C THR B 22 -16.532 -6.939 5.930 1.00 0.84 C ATOM 1967 O THR B 22 -17.546 -7.591 5.655 1.00 1.01 O ATOM 1968 CB THR B 22 -15.624 -7.331 8.272 1.00 1.10 C ATOM 1969 OG1 THR B 22 -14.410 -7.569 9.010 1.00 1.23 O ATOM 1970 CG2 THR B 22 -16.733 -8.217 8.840 1.00 1.37 C ATOM 0 H THR B 22 -13.610 -6.481 6.989 1.00 0.76 H new ATOM 0 HA THR B 22 -15.392 -8.664 6.573 1.00 0.91 H new ATOM 0 HB THR B 22 -15.930 -6.290 8.376 1.00 1.10 H new ATOM 0 HG1 THR B 22 -14.569 -7.403 9.963 1.00 1.23 H new ATOM 0 HG21 THR B 22 -16.861 -8.004 9.901 1.00 1.37 H new ATOM 0 HG22 THR B 22 -17.666 -8.014 8.314 1.00 1.37 H new ATOM 0 HG23 THR B 22 -16.464 -9.265 8.710 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.351 -5.654 5.543 1.00 0.69 N ATOM 1979 CA PHE B 23 -17.350 -4.900 4.755 1.00 0.75 C ATOM 1980 C PHE B 23 -17.046 -4.937 3.238 1.00 0.70 C ATOM 1981 O PHE B 23 -17.972 -4.871 2.423 1.00 0.83 O ATOM 1982 CB PHE B 23 -17.417 -3.431 5.241 1.00 0.84 C ATOM 1983 CG PHE B 23 -17.695 -3.272 6.734 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -18.901 -3.700 7.289 1.00 1.32 C ATOM 1985 CD2 PHE B 23 -16.749 -2.700 7.580 1.00 1.03 C ATOM 1986 CE1 PHE B 23 -19.149 -3.559 8.643 1.00 1.54 C ATOM 1987 CE2 PHE B 23 -16.999 -2.558 8.934 1.00 1.27 C ATOM 1988 CZ PHE B 23 -18.199 -2.988 9.463 1.00 1.48 C ATOM 0 H PHE B 23 -15.514 -5.116 5.767 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.315 -5.383 4.911 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -16.473 -2.940 5.005 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -18.195 -2.911 4.682 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -19.651 -4.147 6.654 1.00 1.32 H new ATOM 0 HD2 PHE B 23 -15.807 -2.362 7.174 1.00 1.03 H new ATOM 0 HE1 PHE B 23 -20.087 -3.896 9.058 1.00 1.54 H new ATOM 0 HE2 PHE B 23 -16.255 -2.111 9.576 1.00 1.27 H new ATOM 0 HZ PHE B 23 -18.394 -2.877 10.519 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.748 -5.048 2.867 1.00 0.61 N ATOM 1999 CA ALA B 24 -15.318 -5.084 1.449 1.00 0.67 C ATOM 2000 C ALA B 24 -15.576 -6.446 0.763 1.00 0.65 C ATOM 2001 O ALA B 24 -15.599 -6.513 -0.471 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.837 -4.720 1.345 1.00 0.77 C ATOM 0 H ALA B 24 -14.978 -5.114 3.533 1.00 0.61 H new ATOM 0 HA ALA B 24 -15.926 -4.350 0.920 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -13.528 -4.748 0.300 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -13.680 -3.717 1.743 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -13.246 -5.434 1.918 1.00 0.77 H new ATOM 2008 N ARG B 25 -15.761 -7.527 1.557 1.00 0.62 N ATOM 2009 CA ARG B 25 -16.016 -8.881 1.011 1.00 0.68 C ATOM 2010 C ARG B 25 -17.511 -9.130 0.672 1.00 0.70 C ATOM 2011 O ARG B 25 -17.857 -10.217 0.195 1.00 0.87 O ATOM 2012 CB ARG B 25 -15.487 -9.959 1.994 1.00 0.77 C ATOM 2013 CG ARG B 25 -16.253 -10.089 3.320 1.00 0.80 C ATOM 2014 CD ARG B 25 -15.596 -11.106 4.255 1.00 1.01 C ATOM 2015 NE ARG B 25 -16.284 -11.220 5.555 1.00 1.10 N ATOM 2016 CZ ARG B 25 -15.811 -11.908 6.620 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -14.684 -12.634 6.538 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -16.484 -11.883 7.773 1.00 1.48 N ATOM 0 H ARG B 25 -15.738 -7.488 2.576 1.00 0.62 H new ATOM 0 HA ARG B 25 -15.475 -8.952 0.068 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -15.506 -10.925 1.489 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -14.444 -9.738 2.219 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -16.297 -9.117 3.812 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -17.281 -10.391 3.119 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -15.583 -12.082 3.770 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -14.558 -10.820 4.423 1.00 1.01 H new ATOM 0 HE ARG B 25 -17.181 -10.746 5.659 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -14.166 -12.675 5.660 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -14.346 -13.145 7.354 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -17.349 -11.348 7.847 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -16.133 -12.399 8.580 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.386 -8.124 0.894 1.00 0.71 N ATOM 2033 CA GLN B 26 -19.832 -8.248 0.616 1.00 0.79 C ATOM 2034 C GLN B 26 -20.150 -8.098 -0.888 1.00 0.73 C ATOM 2035 O GLN B 26 -21.112 -8.706 -1.370 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.626 -7.210 1.451 1.00 0.90 C ATOM 2037 CG GLN B 26 -22.147 -7.211 1.229 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.909 -6.384 2.261 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -23.060 -5.170 2.113 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -23.415 -7.038 3.307 1.00 1.68 N ATOM 0 H GLN B 26 -18.113 -7.214 1.266 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.140 -9.252 0.908 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -20.430 -7.392 2.508 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.243 -6.215 1.223 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.362 -6.824 0.233 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -22.510 -8.238 1.257 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -23.271 -8.044 3.398 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -23.946 -6.533 4.016 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.357 -7.283 -1.622 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.580 -7.058 -3.065 1.00 0.71 C ATOM 2051 C GLU B 27 -18.279 -7.183 -3.875 1.00 0.88 C ATOM 2052 O GLU B 27 -17.211 -6.764 -3.413 1.00 1.45 O ATOM 2053 CB GLU B 27 -20.199 -5.664 -3.291 1.00 0.83 C ATOM 2054 CG GLU B 27 -21.594 -5.492 -2.697 1.00 0.93 C ATOM 2055 CD GLU B 27 -22.663 -6.253 -3.465 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -23.144 -5.730 -4.491 1.00 1.23 O ATOM 2057 OE2 GLU B 27 -23.010 -7.378 -3.042 1.00 1.16 O ATOM 0 H GLU B 27 -18.561 -6.773 -1.238 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.266 -7.830 -3.414 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -19.538 -4.912 -2.860 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -20.247 -5.470 -4.363 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -21.587 -5.832 -1.661 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -21.849 -4.432 -2.683 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.386 -7.774 -5.088 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.237 -7.941 -5.988 1.00 0.86 C ATOM 2066 C GLY B 28 -16.073 -8.720 -5.376 1.00 0.69 C ATOM 2067 O GLY B 28 -15.114 -8.108 -4.902 1.00 0.66 O ATOM 0 H GLY B 28 -19.262 -8.142 -5.460 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -17.568 -8.453 -6.891 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -16.881 -6.957 -6.292 1.00 0.86 H new ATOM 2071 N ARG B 29 -16.160 -10.074 -5.387 1.00 0.68 N ATOM 2072 CA ARG B 29 -15.116 -10.971 -4.820 1.00 0.65 C ATOM 2073 C ARG B 29 -14.880 -10.715 -3.309 1.00 0.62 C ATOM 2074 O ARG B 29 -15.415 -9.756 -2.740 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.780 -10.866 -5.618 1.00 0.66 C ATOM 2076 CG ARG B 29 -13.548 -11.999 -6.627 1.00 0.84 C ATOM 2077 CD ARG B 29 -14.477 -11.915 -7.840 1.00 1.28 C ATOM 2078 NE ARG B 29 -14.284 -13.047 -8.772 1.00 1.44 N ATOM 2079 CZ ARG B 29 -14.548 -13.028 -10.101 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -15.034 -11.934 -10.707 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -14.320 -14.123 -10.827 1.00 2.09 N ATOM 0 H ARG B 29 -16.953 -10.576 -5.788 1.00 0.68 H new ATOM 0 HA ARG B 29 -15.491 -11.990 -4.920 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.763 -9.915 -6.150 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.950 -10.851 -4.911 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -12.512 -11.970 -6.966 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -13.694 -12.958 -6.129 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -15.513 -11.898 -7.501 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -14.299 -10.978 -8.368 1.00 1.28 H new ATOM 0 HE ARG B 29 -13.921 -13.916 -8.381 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -15.214 -11.088 -10.166 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -15.224 -11.948 -11.709 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -13.951 -14.963 -10.381 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -14.515 -14.121 -11.828 1.00 2.09 H new ATOM 2095 N LYS B 30 -14.082 -11.594 -2.667 1.00 0.64 N ATOM 2096 CA LYS B 30 -13.767 -11.482 -1.225 1.00 0.65 C ATOM 2097 C LYS B 30 -12.496 -10.644 -0.992 1.00 0.63 C ATOM 2098 O LYS B 30 -12.456 -9.824 -0.070 1.00 0.67 O ATOM 2099 CB LYS B 30 -13.592 -12.882 -0.591 1.00 0.73 C ATOM 2100 CG LYS B 30 -14.847 -13.766 -0.617 1.00 0.79 C ATOM 2101 CD LYS B 30 -15.948 -13.258 0.321 1.00 0.87 C ATOM 2102 CE LYS B 30 -17.151 -14.198 0.364 1.00 1.01 C ATOM 2103 NZ LYS B 30 -17.855 -14.295 -0.950 1.00 1.11 N ATOM 0 H LYS B 30 -13.642 -12.392 -3.125 1.00 0.64 H new ATOM 0 HA LYS B 30 -14.606 -10.977 -0.747 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -12.788 -13.402 -1.112 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -13.274 -12.759 0.444 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -15.234 -13.810 -1.635 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -14.576 -14.783 -0.335 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -15.542 -13.144 1.326 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -16.273 -12.270 -0.005 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -16.820 -15.191 0.668 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -17.852 -13.849 1.122 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -18.692 -14.905 -0.851 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -18.152 -13.346 -1.256 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -17.212 -14.701 -1.659 1.00 1.11 H new ATOM 2117 N ASP B 31 -11.459 -10.861 -1.828 1.00 0.65 N ATOM 2118 CA ASP B 31 -10.178 -10.126 -1.717 1.00 0.69 C ATOM 2119 C ASP B 31 -10.266 -8.699 -2.303 1.00 0.64 C ATOM 2120 O ASP B 31 -9.484 -7.826 -1.913 1.00 0.88 O ATOM 2121 CB ASP B 31 -9.050 -10.903 -2.430 1.00 0.83 C ATOM 2122 CG ASP B 31 -8.753 -12.242 -1.775 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -8.018 -12.260 -0.765 1.00 1.36 O ATOM 2124 OD2 ASP B 31 -9.254 -13.272 -2.272 1.00 1.24 O ATOM 0 H ASP B 31 -11.482 -11.540 -2.589 1.00 0.65 H new ATOM 0 HA ASP B 31 -9.956 -10.038 -0.654 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -9.329 -11.067 -3.471 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -8.144 -10.297 -2.435 1.00 0.83 H new ATOM 2129 N SER B 32 -11.222 -8.468 -3.225 1.00 0.65 N ATOM 2130 CA SER B 32 -11.386 -7.162 -3.883 1.00 0.59 C ATOM 2131 C SER B 32 -12.358 -6.230 -3.139 1.00 0.57 C ATOM 2132 O SER B 32 -13.317 -6.690 -2.510 1.00 0.64 O ATOM 2133 CB SER B 32 -11.846 -7.369 -5.336 1.00 0.59 C ATOM 2134 OG SER B 32 -12.047 -6.136 -6.005 1.00 1.13 O ATOM 0 H SER B 32 -11.893 -9.173 -3.530 1.00 0.65 H new ATOM 0 HA SER B 32 -10.414 -6.668 -3.866 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.101 -7.957 -5.873 1.00 0.59 H new ATOM 0 HB3 SER B 32 -12.773 -7.943 -5.346 1.00 0.59 H new ATOM 0 HG SER B 32 -12.979 -6.074 -6.303 1.00 1.13 H new ATOM 2140 N LEU B 33 -12.076 -4.907 -3.224 1.00 0.55 N ATOM 2141 CA LEU B 33 -12.900 -3.858 -2.593 1.00 0.56 C ATOM 2142 C LEU B 33 -13.896 -3.286 -3.617 1.00 0.55 C ATOM 2143 O LEU B 33 -13.678 -3.403 -4.829 1.00 0.72 O ATOM 2144 CB LEU B 33 -12.006 -2.711 -2.042 1.00 0.59 C ATOM 2145 CG LEU B 33 -11.202 -2.996 -0.747 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -10.291 -4.217 -0.891 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -10.380 -1.764 -0.350 1.00 0.75 C ATOM 0 H LEU B 33 -11.271 -4.542 -3.732 1.00 0.55 H new ATOM 0 HA LEU B 33 -13.446 -4.306 -1.763 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -11.299 -2.429 -2.823 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -12.642 -1.845 -1.860 1.00 0.59 H new ATOM 0 HG LEU B 33 -11.922 -3.218 0.040 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -9.748 -4.378 0.040 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -10.894 -5.097 -1.116 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -9.581 -4.048 -1.700 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -9.821 -1.978 0.561 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -9.686 -1.516 -1.153 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -11.049 -0.921 -0.175 1.00 0.75 H new ATOM 2159 N SER B 34 -14.984 -2.662 -3.128 1.00 0.52 N ATOM 2160 CA SER B 34 -16.010 -2.067 -4.006 1.00 0.53 C ATOM 2161 C SER B 34 -15.644 -0.624 -4.401 1.00 0.50 C ATOM 2162 O SER B 34 -14.923 0.064 -3.670 1.00 0.52 O ATOM 2163 CB SER B 34 -17.386 -2.106 -3.322 1.00 0.62 C ATOM 2164 OG SER B 34 -18.411 -1.627 -4.182 1.00 0.69 O ATOM 0 H SER B 34 -15.175 -2.557 -2.132 1.00 0.52 H new ATOM 0 HA SER B 34 -16.054 -2.660 -4.920 1.00 0.53 H new ATOM 0 HB2 SER B 34 -17.613 -3.128 -3.018 1.00 0.62 H new ATOM 0 HB3 SER B 34 -17.359 -1.502 -2.415 1.00 0.62 H new ATOM 0 HG SER B 34 -19.273 -1.667 -3.717 1.00 0.69 H new ATOM 2170 N VAL B 35 -16.159 -0.177 -5.565 1.00 0.52 N ATOM 2171 CA VAL B 35 -15.895 1.181 -6.091 1.00 0.53 C ATOM 2172 C VAL B 35 -16.645 2.292 -5.302 1.00 0.48 C ATOM 2173 O VAL B 35 -16.248 3.460 -5.364 1.00 0.52 O ATOM 2174 CB VAL B 35 -16.230 1.264 -7.623 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -17.741 1.191 -7.896 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -15.614 2.513 -8.272 1.00 0.71 C ATOM 0 H VAL B 35 -16.764 -0.740 -6.163 1.00 0.52 H new ATOM 0 HA VAL B 35 -14.829 1.364 -5.953 1.00 0.53 H new ATOM 0 HB VAL B 35 -15.776 0.387 -8.085 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -17.920 1.253 -8.969 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -18.134 0.248 -7.516 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -18.241 2.021 -7.396 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -15.868 2.535 -9.332 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -16.006 3.406 -7.786 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -14.530 2.485 -8.159 1.00 0.71 H new ATOM 2186 N ASN B 36 -17.721 1.920 -4.576 1.00 0.47 N ATOM 2187 CA ASN B 36 -18.519 2.876 -3.783 1.00 0.48 C ATOM 2188 C ASN B 36 -18.130 2.835 -2.286 1.00 0.46 C ATOM 2189 O ASN B 36 -18.106 3.881 -1.627 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.022 2.571 -3.958 1.00 0.55 C ATOM 2191 CG ASN B 36 -20.936 3.700 -3.480 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -21.302 4.582 -4.256 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -21.315 3.678 -2.200 1.00 0.79 N ATOM 0 H ASN B 36 -18.057 0.958 -4.524 1.00 0.47 H new ATOM 0 HA ASN B 36 -18.309 3.881 -4.149 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -20.224 2.373 -5.011 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -20.266 1.661 -3.410 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -21.928 4.408 -1.837 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -20.992 2.931 -1.585 1.00 0.79 H new ATOM 2200 N GLU B 37 -17.818 1.625 -1.756 1.00 0.46 N ATOM 2201 CA GLU B 37 -17.453 1.453 -0.328 1.00 0.50 C ATOM 2202 C GLU B 37 -16.119 2.139 0.036 1.00 0.45 C ATOM 2203 O GLU B 37 -16.009 2.709 1.127 1.00 0.46 O ATOM 2204 CB GLU B 37 -17.395 -0.045 0.057 1.00 0.62 C ATOM 2205 CG GLU B 37 -18.740 -0.771 -0.051 1.00 0.69 C ATOM 2206 CD GLU B 37 -18.698 -2.185 0.505 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -18.097 -3.065 -0.148 1.00 1.28 O ATOM 2208 OE2 GLU B 37 -19.274 -2.414 1.590 1.00 1.61 O ATOM 0 H GLU B 37 -17.812 0.758 -2.294 1.00 0.46 H new ATOM 0 HA GLU B 37 -18.240 1.942 0.246 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -16.671 -0.546 -0.585 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -17.028 -0.132 1.080 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -19.499 -0.199 0.483 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -19.044 -0.807 -1.097 1.00 0.69 H new ATOM 2215 N PHE B 38 -15.109 2.087 -0.866 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.795 2.725 -0.601 1.00 0.43 C ATOM 2217 C PHE B 38 -13.943 4.256 -0.454 1.00 0.39 C ATOM 2218 O PHE B 38 -13.274 4.866 0.386 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.743 2.338 -1.688 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.500 3.358 -2.795 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -13.336 3.424 -3.902 1.00 0.52 C ATOM 2222 CD2 PHE B 38 -11.429 4.247 -2.722 1.00 0.55 C ATOM 2223 CE1 PHE B 38 -13.112 4.346 -4.907 1.00 0.61 C ATOM 2224 CE2 PHE B 38 -11.204 5.168 -3.725 1.00 0.65 C ATOM 2225 CZ PHE B 38 -12.046 5.218 -4.815 1.00 0.66 C ATOM 0 H PHE B 38 -15.176 1.618 -1.769 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.421 2.343 0.349 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.793 2.143 -1.189 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -13.058 1.402 -2.150 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -14.173 2.745 -3.979 1.00 0.52 H new ATOM 0 HD2 PHE B 38 -10.767 4.215 -1.870 1.00 0.55 H new ATOM 0 HE1 PHE B 38 -13.770 4.384 -5.763 1.00 0.61 H new ATOM 0 HE2 PHE B 38 -10.369 5.849 -3.656 1.00 0.65 H new ATOM 0 HZ PHE B 38 -11.871 5.941 -5.598 1.00 0.66 H new ATOM 2235 N LYS B 39 -14.833 4.861 -1.276 1.00 0.37 N ATOM 2236 CA LYS B 39 -15.100 6.313 -1.227 1.00 0.38 C ATOM 2237 C LYS B 39 -15.698 6.725 0.137 1.00 0.36 C ATOM 2238 O LYS B 39 -15.388 7.806 0.649 1.00 0.39 O ATOM 2239 CB LYS B 39 -16.041 6.721 -2.378 1.00 0.43 C ATOM 2240 CG LYS B 39 -16.146 8.234 -2.598 1.00 0.50 C ATOM 2241 CD LYS B 39 -17.050 8.579 -3.782 1.00 0.60 C ATOM 2242 CE LYS B 39 -17.207 10.089 -3.966 1.00 0.70 C ATOM 2243 NZ LYS B 39 -15.981 10.729 -4.532 1.00 0.81 N ATOM 0 H LYS B 39 -15.377 4.363 -1.980 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.152 6.837 -1.346 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -15.693 6.255 -3.300 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -17.036 6.325 -2.176 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -16.535 8.706 -1.695 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -15.151 8.645 -2.769 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -16.636 8.145 -4.692 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -18.031 8.129 -3.632 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -18.052 10.285 -4.626 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -17.440 10.546 -3.004 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -15.873 11.684 -4.134 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -15.147 10.156 -4.290 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -16.069 10.793 -5.566 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.559 5.855 0.718 1.00 0.35 N ATOM 2258 CA GLU B 40 -17.179 6.114 2.036 1.00 0.38 C ATOM 2259 C GLU B 40 -16.137 6.002 3.165 1.00 0.38 C ATOM 2260 O GLU B 40 -16.250 6.695 4.179 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.352 5.142 2.297 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.547 5.339 1.361 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.657 4.324 1.597 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -21.546 4.599 2.431 1.00 0.69 O ATOM 2265 OE2 GLU B 40 -20.638 3.259 0.945 1.00 0.63 O ATOM 0 H GLU B 40 -16.838 4.970 0.294 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.570 7.132 2.023 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -17.991 4.118 2.197 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.687 5.262 3.327 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -19.946 6.344 1.496 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.209 5.266 0.327 1.00 0.47 H new ATOM 2272 N LEU B 41 -15.124 5.123 2.981 1.00 0.37 N ATOM 2273 CA LEU B 41 -14.048 4.933 3.972 1.00 0.40 C ATOM 2274 C LEU B 41 -13.126 6.172 4.040 1.00 0.38 C ATOM 2275 O LEU B 41 -12.648 6.525 5.117 1.00 0.40 O ATOM 2276 CB LEU B 41 -13.228 3.668 3.634 1.00 0.44 C ATOM 2277 CG LEU B 41 -12.286 3.146 4.748 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -13.087 2.550 5.911 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -11.294 2.124 4.185 1.00 0.64 C ATOM 0 H LEU B 41 -15.033 4.535 2.153 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.508 4.804 4.952 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -13.922 2.870 3.370 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.629 3.875 2.747 1.00 0.44 H new ATOM 0 HG LEU B 41 -11.718 3.992 5.134 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -12.402 2.191 6.679 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -13.738 3.315 6.334 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -13.692 1.719 5.548 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -10.642 1.771 4.984 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -11.841 1.281 3.763 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.692 2.592 3.406 1.00 0.64 H new ATOM 2291 N VAL B 42 -12.881 6.818 2.880 1.00 0.37 N ATOM 2292 CA VAL B 42 -12.033 8.027 2.803 1.00 0.38 C ATOM 2293 C VAL B 42 -12.775 9.277 3.332 1.00 0.39 C ATOM 2294 O VAL B 42 -12.136 10.197 3.841 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.532 8.268 1.336 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -10.749 9.582 1.192 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -10.680 7.084 0.866 1.00 0.47 C ATOM 0 H VAL B 42 -13.260 6.521 1.981 1.00 0.37 H new ATOM 0 HA VAL B 42 -11.166 7.857 3.442 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.415 8.352 0.703 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.425 9.701 0.158 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.389 10.419 1.470 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -9.877 9.559 1.845 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.338 7.263 -0.153 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -9.818 6.973 1.523 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.277 6.173 0.893 1.00 0.47 H new ATOM 2307 N THR B 43 -14.114 9.303 3.213 1.00 0.38 N ATOM 2308 CA THR B 43 -14.921 10.451 3.665 1.00 0.42 C ATOM 2309 C THR B 43 -15.429 10.293 5.126 1.00 0.48 C ATOM 2310 O THR B 43 -15.952 11.259 5.691 1.00 0.83 O ATOM 2311 CB THR B 43 -16.130 10.677 2.699 1.00 0.44 C ATOM 2312 OG1 THR B 43 -15.706 10.518 1.330 1.00 0.46 O ATOM 2313 CG2 THR B 43 -16.753 12.066 2.866 1.00 0.49 C ATOM 0 H THR B 43 -14.660 8.543 2.808 1.00 0.38 H new ATOM 0 HA THR B 43 -14.267 11.323 3.647 1.00 0.42 H new ATOM 0 HB THR B 43 -16.884 9.932 2.953 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.619 9.564 1.123 1.00 0.46 H new ATOM 0 HG21 THR B 43 -17.588 12.176 2.174 1.00 0.49 H new ATOM 0 HG22 THR B 43 -17.111 12.184 3.889 1.00 0.49 H new ATOM 0 HG23 THR B 43 -16.004 12.829 2.654 1.00 0.49 H new ATOM 2321 N GLN B 44 -15.253 9.099 5.748 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.736 8.850 7.124 1.00 0.44 C ATOM 2323 C GLN B 44 -14.611 8.396 8.085 1.00 0.44 C ATOM 2324 O GLN B 44 -14.361 9.067 9.093 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.872 7.802 7.078 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.597 7.571 8.407 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.687 6.513 8.302 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.844 6.831 8.024 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -18.321 5.245 8.516 1.00 0.98 N ATOM 0 H GLN B 44 -14.783 8.301 5.319 1.00 0.42 H new ATOM 0 HA GLN B 44 -16.110 9.793 7.522 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -17.603 8.114 6.332 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -16.456 6.853 6.739 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -16.873 7.268 9.164 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -18.037 8.509 8.744 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -17.351 5.026 8.744 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -19.011 4.497 8.451 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.936 7.270 7.769 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.885 6.705 8.647 1.00 0.43 C ATOM 2340 C GLN B 45 -11.446 7.116 8.249 1.00 0.41 C ATOM 2341 O GLN B 45 -10.510 6.842 9.007 1.00 0.46 O ATOM 2342 CB GLN B 45 -13.016 5.165 8.677 1.00 0.47 C ATOM 2343 CG GLN B 45 -12.410 4.505 9.921 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.762 3.024 10.061 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.952 2.318 9.070 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.846 2.540 11.301 1.00 0.73 N ATOM 0 H GLN B 45 -14.098 6.735 6.916 1.00 0.42 H new ATOM 0 HA GLN B 45 -13.047 7.123 9.641 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -14.072 4.901 8.617 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -12.534 4.754 7.790 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -11.326 4.610 9.886 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -12.754 5.037 10.808 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -12.683 3.153 12.100 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -13.074 1.557 11.450 1.00 0.73 H new ATOM 2355 N LEU B 46 -11.263 7.772 7.081 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.925 8.193 6.622 1.00 0.38 C ATOM 2357 C LEU B 46 -9.965 9.572 5.895 1.00 0.38 C ATOM 2358 O LEU B 46 -9.408 9.707 4.797 1.00 0.41 O ATOM 2359 CB LEU B 46 -9.357 7.083 5.696 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.822 7.042 5.531 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -7.156 6.347 6.723 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.439 6.354 4.215 1.00 0.62 C ATOM 0 H LEU B 46 -12.021 8.019 6.445 1.00 0.39 H new ATOM 0 HA LEU B 46 -9.274 8.326 7.486 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.685 6.117 6.081 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.803 7.201 4.709 1.00 0.40 H new ATOM 0 HG LEU B 46 -7.459 8.069 5.500 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -6.076 6.333 6.579 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -7.393 6.888 7.639 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.525 5.324 6.800 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.354 6.335 4.117 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.822 5.333 4.213 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.869 6.904 3.378 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.613 10.634 6.494 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.691 11.969 5.862 1.00 0.42 C ATOM 2376 C PRO B 47 -9.480 12.892 6.140 1.00 0.42 C ATOM 2377 O PRO B 47 -9.192 13.775 5.328 1.00 0.46 O ATOM 2378 CB PRO B 47 -11.976 12.539 6.472 1.00 0.48 C ATOM 2379 CG PRO B 47 -12.028 11.973 7.853 1.00 0.48 C ATOM 2380 CD PRO B 47 -11.336 10.629 7.799 1.00 0.44 C ATOM 0 HA PRO B 47 -10.687 11.898 4.774 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -11.955 13.629 6.492 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -12.852 12.248 5.892 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -11.531 12.636 8.562 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -13.060 11.864 8.188 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.647 10.503 8.634 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -12.054 9.810 7.852 1.00 0.44 H new ATOM 2388 N HIS B 48 -8.776 12.682 7.273 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.609 13.512 7.647 1.00 0.44 C ATOM 2390 C HIS B 48 -6.315 13.093 6.914 1.00 0.43 C ATOM 2391 O HIS B 48 -5.368 13.885 6.849 1.00 0.49 O ATOM 2392 CB HIS B 48 -7.378 13.463 9.172 1.00 0.49 C ATOM 2393 CG HIS B 48 -8.414 14.200 9.971 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -9.621 13.644 10.339 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -8.412 15.458 10.480 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -10.317 14.528 11.035 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -9.607 15.635 11.131 1.00 0.81 N ATOM 0 H HIS B 48 -8.995 11.946 7.944 1.00 0.42 H new ATOM 0 HA HIS B 48 -7.843 14.531 7.339 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -7.360 12.421 9.493 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -6.397 13.882 9.394 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -7.618 16.184 10.390 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -11.300 14.370 11.454 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -9.899 16.486 11.612 1.00 0.81 H new ATOM 2406 N LEU B 49 -6.265 11.854 6.370 1.00 0.41 N ATOM 2407 CA LEU B 49 -5.072 11.365 5.650 1.00 0.42 C ATOM 2408 C LEU B 49 -5.015 11.943 4.225 1.00 0.40 C ATOM 2409 O LEU B 49 -4.046 12.625 3.877 1.00 0.48 O ATOM 2410 CB LEU B 49 -5.044 9.816 5.635 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.766 9.146 5.064 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.499 9.719 5.703 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.823 7.627 5.254 1.00 0.62 C ATOM 0 H LEU B 49 -7.031 11.182 6.417 1.00 0.41 H new ATOM 0 HA LEU B 49 -4.184 11.711 6.179 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -5.185 9.464 6.657 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.899 9.466 5.056 1.00 0.43 H new ATOM 0 HG LEU B 49 -3.727 9.364 3.997 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.623 9.227 5.280 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.444 10.790 5.506 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -2.526 9.549 6.779 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -2.918 7.175 4.847 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -3.898 7.396 6.317 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -4.693 7.228 4.733 1.00 0.62 H new ATOM 2425 N LEU B 50 -6.051 11.667 3.408 1.00 0.38 N ATOM 2426 CA LEU B 50 -6.124 12.194 2.040 1.00 0.41 C ATOM 2427 C LEU B 50 -6.768 13.588 2.078 1.00 0.45 C ATOM 2428 O LEU B 50 -7.948 13.712 2.426 1.00 0.52 O ATOM 2429 CB LEU B 50 -6.933 11.250 1.118 1.00 0.44 C ATOM 2430 CG LEU B 50 -6.358 9.825 0.909 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -7.314 8.981 0.065 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -4.974 9.866 0.257 1.00 0.70 C ATOM 0 H LEU B 50 -6.844 11.084 3.675 1.00 0.38 H new ATOM 0 HA LEU B 50 -5.116 12.263 1.632 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -7.939 11.155 1.526 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -7.028 11.726 0.142 1.00 0.44 H new ATOM 0 HG LEU B 50 -6.251 9.366 1.892 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -6.895 7.984 -0.072 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -8.276 8.904 0.572 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -7.454 9.453 -0.908 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -4.603 8.849 0.126 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -5.044 10.354 -0.715 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -4.288 10.423 0.895 1.00 0.70 H new ATOM 2444 N LYS B 51 -5.986 14.632 1.726 1.00 0.50 N ATOM 2445 CA LYS B 51 -6.468 16.038 1.749 1.00 0.58 C ATOM 2446 C LYS B 51 -7.799 16.233 0.984 1.00 0.53 C ATOM 2447 O LYS B 51 -8.666 16.985 1.442 1.00 0.61 O ATOM 2448 CB LYS B 51 -5.393 17.018 1.213 1.00 0.68 C ATOM 2449 CG LYS B 51 -4.901 16.737 -0.217 1.00 0.72 C ATOM 2450 CD LYS B 51 -4.028 17.873 -0.763 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.501 17.597 -2.179 1.00 1.03 C ATOM 2452 NZ LYS B 51 -4.288 18.310 -3.233 1.00 1.23 N ATOM 0 H LYS B 51 -5.018 14.531 1.422 1.00 0.50 H new ATOM 0 HA LYS B 51 -6.661 16.268 2.797 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -5.798 18.030 1.248 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -4.536 16.994 1.886 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -4.333 15.807 -0.228 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -5.759 16.593 -0.873 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -4.606 18.797 -0.770 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -3.184 18.030 -0.091 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -2.457 17.903 -2.241 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -3.530 16.525 -2.371 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -3.788 18.245 -4.143 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -5.227 17.871 -3.321 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -4.397 19.310 -2.968 1.00 1.23 H new ATOM 2466 N ASP B 52 -7.956 15.548 -0.166 1.00 0.48 N ATOM 2467 CA ASP B 52 -9.180 15.643 -0.979 1.00 0.54 C ATOM 2468 C ASP B 52 -10.166 14.523 -0.595 1.00 0.48 C ATOM 2469 O ASP B 52 -9.897 13.347 -0.851 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.838 15.570 -2.483 1.00 0.69 C ATOM 2471 CG ASP B 52 -8.118 16.813 -2.991 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -8.794 17.838 -3.218 1.00 1.78 O ATOM 2473 OD2 ASP B 52 -6.881 16.757 -3.161 1.00 1.94 O ATOM 0 H ASP B 52 -7.248 14.923 -0.551 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.653 16.605 -0.781 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -8.214 14.695 -2.666 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -9.757 15.431 -3.053 1.00 0.69 H new ATOM 2478 N VAL B 53 -11.291 14.897 0.049 1.00 0.44 N ATOM 2479 CA VAL B 53 -12.331 13.925 0.466 1.00 0.45 C ATOM 2480 C VAL B 53 -13.461 13.815 -0.583 1.00 0.46 C ATOM 2481 O VAL B 53 -14.057 12.743 -0.736 1.00 0.57 O ATOM 2482 CB VAL B 53 -12.940 14.248 1.879 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -11.868 14.168 2.968 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -13.646 15.612 1.920 1.00 0.58 C ATOM 0 H VAL B 53 -11.505 15.864 0.293 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.823 12.964 0.540 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.698 13.488 2.072 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -12.315 14.396 3.936 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.446 13.163 2.990 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -11.078 14.888 2.755 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -14.048 15.784 2.919 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -12.932 16.399 1.676 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -14.460 15.622 1.195 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.754 14.932 -1.292 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.795 14.951 -2.323 1.00 0.51 C ATOM 2496 C GLY B 54 -14.264 14.597 -3.705 1.00 0.51 C ATOM 2497 O GLY B 54 -14.846 13.749 -4.390 1.00 0.67 O ATOM 0 H GLY B 54 -13.279 15.825 -1.162 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.582 14.248 -2.051 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -15.249 15.941 -2.356 1.00 0.51 H new ATOM 2501 N SER B 55 -13.158 15.253 -4.120 1.00 0.51 N ATOM 2502 CA SER B 55 -12.538 14.996 -5.430 1.00 0.57 C ATOM 2503 C SER B 55 -11.630 13.756 -5.354 1.00 0.52 C ATOM 2504 O SER B 55 -10.440 13.856 -5.031 1.00 0.63 O ATOM 2505 CB SER B 55 -11.751 16.228 -5.911 1.00 0.74 C ATOM 2506 OG SER B 55 -11.270 16.046 -7.234 1.00 0.92 O ATOM 0 H SER B 55 -12.680 15.963 -3.565 1.00 0.51 H new ATOM 0 HA SER B 55 -13.326 14.800 -6.157 1.00 0.57 H new ATOM 0 HB2 SER B 55 -12.391 17.109 -5.872 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.913 16.413 -5.239 1.00 0.74 H new ATOM 0 HG SER B 55 -10.775 16.844 -7.515 1.00 0.92 H new ATOM 2512 N LEU B 56 -12.225 12.581 -5.633 1.00 0.47 N ATOM 2513 CA LEU B 56 -11.519 11.289 -5.608 1.00 0.47 C ATOM 2514 C LEU B 56 -11.541 10.610 -6.999 1.00 0.48 C ATOM 2515 O LEU B 56 -11.240 9.420 -7.105 1.00 0.81 O ATOM 2516 CB LEU B 56 -12.165 10.367 -4.523 1.00 0.58 C ATOM 2517 CG LEU B 56 -11.245 9.860 -3.377 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -10.109 8.983 -3.906 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -10.696 11.029 -2.551 1.00 1.24 C ATOM 0 H LEU B 56 -13.211 12.502 -5.882 1.00 0.47 H new ATOM 0 HA LEU B 56 -10.474 11.463 -5.353 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -12.997 10.908 -4.073 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -12.586 9.497 -5.027 1.00 0.58 H new ATOM 0 HG LEU B 56 -11.857 9.240 -2.722 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -9.489 8.649 -3.074 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -10.527 8.116 -4.418 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -9.500 9.558 -4.604 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -10.056 10.644 -1.757 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -10.117 11.690 -3.196 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -11.524 11.585 -2.112 1.00 1.24 H new ATOM 2531 N ASP B 57 -11.869 11.375 -8.070 1.00 0.48 N ATOM 2532 CA ASP B 57 -11.934 10.824 -9.442 1.00 0.49 C ATOM 2533 C ASP B 57 -10.530 10.591 -10.045 1.00 0.44 C ATOM 2534 O ASP B 57 -10.354 9.661 -10.838 1.00 0.46 O ATOM 2535 CB ASP B 57 -12.792 11.726 -10.366 1.00 0.60 C ATOM 2536 CG ASP B 57 -12.252 13.144 -10.529 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -12.626 14.017 -9.717 1.00 0.73 O ATOM 2538 OD2 ASP B 57 -11.460 13.376 -11.467 1.00 0.69 O ATOM 0 H ASP B 57 -12.091 12.369 -8.008 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.418 9.850 -9.370 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -12.861 11.260 -11.349 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -13.805 11.778 -9.966 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.537 11.433 -9.668 1.00 0.45 N ATOM 2544 CA GLU B 58 -8.151 11.295 -10.172 1.00 0.50 C ATOM 2545 C GLU B 58 -7.513 9.978 -9.676 1.00 0.47 C ATOM 2546 O GLU B 58 -6.781 9.325 -10.427 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.291 12.514 -9.763 1.00 0.59 C ATOM 2548 CG GLU B 58 -5.996 12.672 -10.566 1.00 0.73 C ATOM 2549 CD GLU B 58 -5.280 13.982 -10.276 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -5.781 15.042 -10.710 1.00 1.10 O ATOM 2551 OE2 GLU B 58 -4.218 13.948 -9.620 1.00 1.06 O ATOM 0 H GLU B 58 -9.670 12.210 -9.021 1.00 0.45 H new ATOM 0 HA GLU B 58 -8.190 11.261 -11.261 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -7.888 13.419 -9.877 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -7.041 12.428 -8.706 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.329 11.840 -10.339 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -6.224 12.616 -11.630 1.00 0.73 H new ATOM 2558 N LYS B 59 -7.797 9.601 -8.407 1.00 0.43 N ATOM 2559 CA LYS B 59 -7.283 8.348 -7.816 1.00 0.48 C ATOM 2560 C LYS B 59 -8.162 7.149 -8.235 1.00 0.54 C ATOM 2561 O LYS B 59 -7.631 6.109 -8.616 1.00 0.91 O ATOM 2562 CB LYS B 59 -7.212 8.447 -6.268 1.00 0.52 C ATOM 2563 CG LYS B 59 -5.899 9.014 -5.709 1.00 0.59 C ATOM 2564 CD LYS B 59 -5.685 10.507 -6.021 1.00 0.79 C ATOM 2565 CE LYS B 59 -4.726 10.729 -7.191 1.00 1.19 C ATOM 2566 NZ LYS B 59 -4.192 12.122 -7.234 1.00 1.47 N ATOM 0 H LYS B 59 -8.380 10.149 -7.774 1.00 0.43 H new ATOM 0 HA LYS B 59 -6.273 8.191 -8.194 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -8.035 9.072 -5.922 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -7.368 7.453 -5.849 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.884 8.872 -4.628 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -5.065 8.444 -6.117 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -6.646 10.968 -6.250 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -5.294 11.008 -5.135 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -3.896 10.027 -7.115 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -5.242 10.512 -8.126 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -4.326 12.516 -8.187 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -4.699 12.710 -6.542 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -3.178 12.112 -7.003 1.00 1.47 H new ATOM 2580 N MET B 60 -9.510 7.313 -8.179 1.00 0.40 N ATOM 2581 CA MET B 60 -10.478 6.241 -8.547 1.00 0.43 C ATOM 2582 C MET B 60 -10.239 5.706 -9.976 1.00 0.45 C ATOM 2583 O MET B 60 -10.283 4.491 -10.192 1.00 0.49 O ATOM 2584 CB MET B 60 -11.926 6.754 -8.397 1.00 0.47 C ATOM 2585 CG MET B 60 -13.013 5.695 -8.623 1.00 0.55 C ATOM 2586 SD MET B 60 -14.689 6.318 -8.340 1.00 0.67 S ATOM 2587 CE MET B 60 -14.923 7.407 -9.747 1.00 0.81 C ATOM 0 H MET B 60 -9.954 8.181 -7.881 1.00 0.40 H new ATOM 0 HA MET B 60 -10.320 5.409 -7.861 1.00 0.43 H new ATOM 0 HB2 MET B 60 -12.047 7.170 -7.397 1.00 0.47 H new ATOM 0 HB3 MET B 60 -12.082 7.570 -9.103 1.00 0.47 H new ATOM 0 HG2 MET B 60 -12.939 5.321 -9.644 1.00 0.55 H new ATOM 0 HG3 MET B 60 -12.830 4.849 -7.960 1.00 0.55 H new ATOM 0 HE1 MET B 60 -15.954 7.760 -9.766 1.00 0.81 H new ATOM 0 HE2 MET B 60 -14.249 8.260 -9.663 1.00 0.81 H new ATOM 0 HE3 MET B 60 -14.708 6.864 -10.667 1.00 0.81 H new ATOM 2597 N LYS B 61 -9.994 6.617 -10.943 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.714 6.228 -12.343 1.00 0.53 C ATOM 2599 C LYS B 61 -8.403 5.426 -12.430 1.00 0.48 C ATOM 2600 O LYS B 61 -8.309 4.464 -13.202 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.624 7.475 -13.254 1.00 0.63 C ATOM 2602 CG LYS B 61 -10.982 8.022 -13.727 1.00 0.78 C ATOM 2603 CD LYS B 61 -11.370 7.524 -15.129 1.00 1.13 C ATOM 2604 CE LYS B 61 -10.554 8.196 -16.236 1.00 1.87 C ATOM 2605 NZ LYS B 61 -11.029 7.823 -17.600 1.00 2.39 N ATOM 0 H LYS B 61 -9.984 7.624 -10.781 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.537 5.602 -12.687 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -9.097 8.264 -12.717 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -9.022 7.227 -14.129 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.754 7.729 -13.016 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -10.949 9.111 -13.730 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -11.226 6.445 -15.180 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -12.430 7.713 -15.298 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -10.610 9.278 -16.118 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -9.505 7.917 -16.131 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -10.445 8.303 -18.314 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -10.952 6.793 -17.725 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -12.022 8.112 -17.713 1.00 2.39 H new ATOM 2619 N SER B 62 -7.395 5.834 -11.630 1.00 0.46 N ATOM 2620 CA SER B 62 -6.095 5.148 -11.582 1.00 0.47 C ATOM 2621 C SER B 62 -6.206 3.788 -10.861 1.00 0.44 C ATOM 2622 O SER B 62 -5.469 2.856 -11.195 1.00 0.50 O ATOM 2623 CB SER B 62 -5.045 6.033 -10.894 1.00 0.54 C ATOM 2624 OG SER B 62 -4.807 7.214 -11.646 1.00 0.63 O ATOM 0 H SER B 62 -7.462 6.639 -11.008 1.00 0.46 H new ATOM 0 HA SER B 62 -5.778 4.960 -12.608 1.00 0.47 H new ATOM 0 HB2 SER B 62 -5.386 6.297 -9.893 1.00 0.54 H new ATOM 0 HB3 SER B 62 -4.115 5.477 -10.778 1.00 0.54 H new ATOM 0 HG SER B 62 -5.393 7.930 -11.324 1.00 0.63 H new ATOM 2630 N LEU B 63 -7.135 3.681 -9.873 1.00 0.41 N ATOM 2631 CA LEU B 63 -7.352 2.427 -9.120 1.00 0.44 C ATOM 2632 C LEU B 63 -7.971 1.348 -10.018 1.00 0.47 C ATOM 2633 O LEU B 63 -7.337 0.321 -10.268 1.00 0.57 O ATOM 2634 CB LEU B 63 -8.257 2.657 -7.879 1.00 0.45 C ATOM 2635 CG LEU B 63 -7.644 3.473 -6.721 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.713 3.801 -5.672 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -6.461 2.740 -6.080 1.00 0.69 C ATOM 0 H LEU B 63 -7.741 4.449 -9.584 1.00 0.41 H new ATOM 0 HA LEU B 63 -6.375 2.086 -8.776 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -9.166 3.161 -8.208 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -8.556 1.684 -7.490 1.00 0.45 H new ATOM 0 HG LEU B 63 -7.265 4.407 -7.136 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -8.264 4.377 -4.863 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -9.509 4.385 -6.134 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -9.127 2.875 -5.273 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -6.055 3.344 -5.269 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -6.798 1.782 -5.685 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.688 2.572 -6.830 1.00 0.69 H new ATOM 2649 N ASP B 64 -9.200 1.601 -10.518 1.00 0.47 N ATOM 2650 CA ASP B 64 -9.909 0.647 -11.383 1.00 0.55 C ATOM 2651 C ASP B 64 -9.414 0.796 -12.835 1.00 0.53 C ATOM 2652 O ASP B 64 -10.069 1.419 -13.678 1.00 0.60 O ATOM 2653 CB ASP B 64 -11.438 0.861 -11.263 1.00 0.66 C ATOM 2654 CG ASP B 64 -12.253 -0.320 -11.765 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -12.269 -0.552 -12.991 1.00 1.32 O ATOM 2656 OD2 ASP B 64 -12.876 -1.012 -10.932 1.00 1.27 O ATOM 0 H ASP B 64 -9.718 2.460 -10.334 1.00 0.47 H new ATOM 0 HA ASP B 64 -9.697 -0.373 -11.064 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -11.690 1.050 -10.220 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.718 1.752 -11.825 1.00 0.66 H new ATOM 2661 N VAL B 65 -8.226 0.223 -13.095 1.00 0.53 N ATOM 2662 CA VAL B 65 -7.576 0.269 -14.418 1.00 0.56 C ATOM 2663 C VAL B 65 -8.066 -0.871 -15.343 1.00 0.56 C ATOM 2664 O VAL B 65 -8.133 -0.689 -16.562 1.00 0.61 O ATOM 2665 CB VAL B 65 -6.014 0.247 -14.267 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -5.502 -1.054 -13.635 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -5.306 0.528 -15.602 1.00 0.72 C ATOM 0 H VAL B 65 -7.688 -0.286 -12.393 1.00 0.53 H new ATOM 0 HA VAL B 65 -7.862 1.208 -14.893 1.00 0.56 H new ATOM 0 HB VAL B 65 -5.764 1.056 -13.580 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -4.416 -1.016 -13.554 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -5.936 -1.172 -12.642 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.790 -1.900 -14.259 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -4.226 0.504 -15.453 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -5.589 -0.231 -16.331 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -5.600 1.511 -15.970 1.00 0.72 H new ATOM 2677 N ASN B 66 -8.404 -2.039 -14.755 1.00 0.56 N ATOM 2678 CA ASN B 66 -8.901 -3.200 -15.526 1.00 0.60 C ATOM 2679 C ASN B 66 -10.327 -2.964 -16.086 1.00 0.61 C ATOM 2680 O ASN B 66 -10.720 -3.631 -17.046 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.886 -4.485 -14.664 1.00 0.65 C ATOM 2682 CG ASN B 66 -7.488 -5.081 -14.486 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -6.743 -4.679 -13.593 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -7.128 -6.057 -15.325 1.00 1.32 N ATOM 0 H ASN B 66 -8.342 -2.203 -13.750 1.00 0.56 H new ATOM 0 HA ASN B 66 -8.224 -3.326 -16.371 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -9.305 -4.260 -13.683 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -9.535 -5.230 -15.125 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -6.210 -6.493 -15.236 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -7.771 -6.366 -16.054 1.00 1.32 H new ATOM 2691 N GLN B 67 -11.097 -2.017 -15.482 1.00 0.59 N ATOM 2692 CA GLN B 67 -12.479 -1.689 -15.919 1.00 0.64 C ATOM 2693 C GLN B 67 -13.421 -2.906 -15.771 1.00 0.64 C ATOM 2694 O GLN B 67 -14.015 -3.373 -16.753 1.00 0.77 O ATOM 2695 CB GLN B 67 -12.495 -1.131 -17.366 1.00 0.75 C ATOM 2696 CG GLN B 67 -11.673 0.147 -17.546 1.00 0.96 C ATOM 2697 CD GLN B 67 -11.626 0.649 -18.988 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -12.576 0.473 -19.753 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -10.519 1.283 -19.373 1.00 1.87 N ATOM 0 H GLN B 67 -10.778 -1.465 -14.686 1.00 0.59 H new ATOM 0 HA GLN B 67 -12.855 -0.905 -15.262 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -12.114 -1.895 -18.044 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -13.526 -0.932 -17.657 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -12.090 0.929 -16.912 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -10.655 -0.034 -17.200 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -9.750 1.412 -18.715 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -10.440 1.639 -20.326 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.548 -3.407 -14.525 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.402 -4.569 -14.212 1.00 0.72 C ATOM 2710 C ASP B 68 -15.247 -4.337 -12.927 1.00 0.79 C ATOM 2711 O ASP B 68 -15.770 -5.297 -12.347 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.502 -5.824 -14.062 1.00 0.76 C ATOM 2713 CG ASP B 68 -14.271 -7.140 -14.125 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -14.854 -7.442 -15.190 1.00 1.16 O ATOM 2715 OD2 ASP B 68 -14.288 -7.869 -13.110 1.00 1.25 O ATOM 0 H ASP B 68 -13.065 -3.020 -13.714 1.00 0.65 H new ATOM 0 HA ASP B 68 -15.109 -4.716 -15.028 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.748 -5.816 -14.849 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -12.971 -5.768 -13.112 1.00 0.76 H new ATOM 2720 N SER B 69 -15.397 -3.054 -12.494 1.00 0.66 N ATOM 2721 CA SER B 69 -16.168 -2.692 -11.279 1.00 0.71 C ATOM 2722 C SER B 69 -15.641 -3.410 -10.012 1.00 0.71 C ATOM 2723 O SER B 69 -16.409 -3.689 -9.083 1.00 1.26 O ATOM 2724 CB SER B 69 -17.672 -2.976 -11.486 1.00 0.86 C ATOM 2725 OG SER B 69 -18.154 -2.333 -12.657 1.00 1.35 O ATOM 0 H SER B 69 -14.990 -2.252 -12.975 1.00 0.66 H new ATOM 0 HA SER B 69 -16.031 -1.623 -11.117 1.00 0.71 H new ATOM 0 HB2 SER B 69 -17.836 -4.051 -11.563 1.00 0.86 H new ATOM 0 HB3 SER B 69 -18.234 -2.630 -10.619 1.00 0.86 H new ATOM 0 HG SER B 69 -19.108 -2.528 -12.768 1.00 1.35 H new ATOM 2731 N GLU B 70 -14.317 -3.685 -9.973 1.00 0.69 N ATOM 2732 CA GLU B 70 -13.673 -4.366 -8.837 1.00 0.75 C ATOM 2733 C GLU B 70 -12.319 -3.716 -8.520 1.00 0.62 C ATOM 2734 O GLU B 70 -11.476 -3.576 -9.414 1.00 0.78 O ATOM 2735 CB GLU B 70 -13.481 -5.868 -9.144 1.00 1.11 C ATOM 2736 CG GLU B 70 -14.636 -6.747 -8.669 1.00 1.39 C ATOM 2737 CD GLU B 70 -14.550 -8.175 -9.184 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -13.502 -8.825 -8.974 1.00 2.37 O ATOM 2739 OE2 GLU B 70 -15.528 -8.641 -9.806 1.00 2.40 O ATOM 0 H GLU B 70 -13.673 -3.441 -10.725 1.00 0.69 H new ATOM 0 HA GLU B 70 -14.322 -4.268 -7.967 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -13.357 -5.997 -10.219 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -12.559 -6.210 -8.674 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -14.650 -6.760 -7.579 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -15.578 -6.306 -8.995 1.00 1.39 H new ATOM 2746 N LEU B 71 -12.128 -3.308 -7.251 1.00 0.54 N ATOM 2747 CA LEU B 71 -10.879 -2.674 -6.802 1.00 0.51 C ATOM 2748 C LEU B 71 -10.039 -3.669 -5.972 1.00 0.50 C ATOM 2749 O LEU B 71 -9.893 -3.510 -4.754 1.00 0.52 O ATOM 2750 CB LEU B 71 -11.182 -1.389 -5.987 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.691 -0.163 -6.786 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -13.045 -0.432 -7.454 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -11.772 1.067 -5.875 1.00 0.92 C ATOM 0 H LEU B 71 -12.829 -3.408 -6.517 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.299 -2.388 -7.680 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.926 -1.634 -5.229 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -10.273 -1.098 -5.460 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.973 0.031 -7.583 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -13.363 0.455 -8.003 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -12.950 -1.271 -8.143 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.786 -0.671 -6.691 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -12.131 1.922 -6.449 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -12.460 0.867 -5.053 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -10.783 1.289 -5.474 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.500 -4.712 -6.644 1.00 0.52 N ATOM 2766 CA LYS B 72 -8.648 -5.734 -5.981 1.00 0.54 C ATOM 2767 C LYS B 72 -7.358 -5.084 -5.451 1.00 0.48 C ATOM 2768 O LYS B 72 -7.024 -3.998 -5.891 1.00 0.46 O ATOM 2769 CB LYS B 72 -8.319 -6.874 -6.975 1.00 0.60 C ATOM 2770 CG LYS B 72 -7.628 -8.096 -6.355 1.00 0.78 C ATOM 2771 CD LYS B 72 -7.333 -9.176 -7.397 1.00 0.91 C ATOM 2772 CE LYS B 72 -6.231 -10.143 -6.952 1.00 1.29 C ATOM 2773 NZ LYS B 72 -4.875 -9.507 -6.944 1.00 1.81 N ATOM 0 H LYS B 72 -9.638 -4.871 -7.642 1.00 0.52 H new ATOM 0 HA LYS B 72 -9.191 -6.158 -5.136 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -9.245 -7.201 -7.449 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -7.680 -6.475 -7.763 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -6.697 -7.785 -5.882 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -8.261 -8.512 -5.571 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -8.244 -9.739 -7.599 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -7.038 -8.701 -8.333 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -6.460 -10.514 -5.953 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -6.219 -11.006 -7.618 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -4.267 -9.977 -7.645 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -4.963 -8.499 -7.183 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -4.452 -9.603 -5.999 1.00 1.81 H new ATOM 2787 N PHE B 73 -6.640 -5.733 -4.503 1.00 0.51 N ATOM 2788 CA PHE B 73 -5.377 -5.168 -3.947 1.00 0.49 C ATOM 2789 C PHE B 73 -4.363 -4.803 -5.057 1.00 0.46 C ATOM 2790 O PHE B 73 -3.551 -3.898 -4.867 1.00 0.46 O ATOM 2791 CB PHE B 73 -4.732 -6.110 -2.899 1.00 0.55 C ATOM 2792 CG PHE B 73 -4.844 -5.591 -1.475 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -4.096 -4.493 -1.060 1.00 0.89 C ATOM 2794 CD2 PHE B 73 -5.703 -6.184 -0.560 1.00 0.90 C ATOM 2795 CE1 PHE B 73 -4.205 -4.007 0.228 1.00 1.14 C ATOM 2796 CE2 PHE B 73 -5.808 -5.701 0.730 1.00 1.15 C ATOM 2797 CZ PHE B 73 -5.059 -4.611 1.124 1.00 1.23 C ATOM 0 H PHE B 73 -6.905 -6.636 -4.109 1.00 0.51 H new ATOM 0 HA PHE B 73 -5.653 -4.245 -3.438 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -5.207 -7.089 -2.960 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -3.680 -6.250 -3.146 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -3.421 -4.015 -1.755 1.00 0.89 H new ATOM 0 HD2 PHE B 73 -6.297 -7.034 -0.861 1.00 0.90 H new ATOM 0 HE1 PHE B 73 -3.620 -3.152 0.533 1.00 1.14 H new ATOM 0 HE2 PHE B 73 -6.477 -6.177 1.431 1.00 1.15 H new ATOM 0 HZ PHE B 73 -5.142 -4.233 2.132 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.410 -5.519 -6.203 1.00 0.47 N ATOM 2808 CA ASN B 74 -3.533 -5.226 -7.356 1.00 0.50 C ATOM 2809 C ASN B 74 -3.963 -3.901 -8.041 1.00 0.48 C ATOM 2810 O ASN B 74 -3.119 -3.177 -8.562 1.00 0.54 O ATOM 2811 CB ASN B 74 -3.560 -6.395 -8.363 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.628 -6.191 -9.557 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -3.046 -5.678 -10.597 1.00 0.99 O ATOM 2814 ND2 ASN B 74 -1.359 -6.579 -9.416 1.00 0.93 N ATOM 0 H ASN B 74 -5.046 -6.303 -6.353 1.00 0.47 H new ATOM 0 HA ASN B 74 -2.511 -5.108 -6.995 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -3.282 -7.315 -7.848 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.579 -6.528 -8.726 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -0.699 -6.455 -10.184 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -1.049 -7.000 -8.540 1.00 0.93 H new ATOM 2821 N GLU B 75 -5.286 -3.619 -8.051 1.00 0.44 N ATOM 2822 CA GLU B 75 -5.844 -2.374 -8.625 1.00 0.47 C ATOM 2823 C GLU B 75 -5.909 -1.266 -7.546 1.00 0.41 C ATOM 2824 O GLU B 75 -5.774 -0.082 -7.857 1.00 0.42 O ATOM 2825 CB GLU B 75 -7.253 -2.622 -9.218 1.00 0.54 C ATOM 2826 CG GLU B 75 -7.259 -3.308 -10.590 1.00 0.64 C ATOM 2827 CD GLU B 75 -7.288 -4.827 -10.512 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -6.248 -5.426 -10.172 1.00 0.93 O ATOM 2829 OE2 GLU B 75 -8.354 -5.415 -10.798 1.00 0.91 O ATOM 0 H GLU B 75 -5.993 -4.244 -7.664 1.00 0.44 H new ATOM 0 HA GLU B 75 -5.185 -2.047 -9.429 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -7.824 -3.233 -8.519 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -7.770 -1.666 -9.302 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -8.126 -2.965 -11.154 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -6.374 -2.998 -11.146 1.00 0.64 H new ATOM 2836 N TYR B 76 -6.115 -1.678 -6.272 1.00 0.41 N ATOM 2837 CA TYR B 76 -6.179 -0.771 -5.109 1.00 0.39 C ATOM 2838 C TYR B 76 -4.756 -0.365 -4.635 1.00 0.36 C ATOM 2839 O TYR B 76 -4.614 0.509 -3.776 1.00 0.43 O ATOM 2840 CB TYR B 76 -6.949 -1.462 -3.958 1.00 0.43 C ATOM 2841 CG TYR B 76 -7.457 -0.532 -2.863 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.521 0.338 -3.098 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.887 -0.537 -1.588 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -8.997 1.168 -2.107 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -7.365 0.290 -0.591 1.00 0.59 C ATOM 2846 CZ TYR B 76 -8.417 1.140 -0.854 1.00 0.59 C ATOM 2847 OH TYR B 76 -8.899 1.958 0.144 1.00 0.71 O ATOM 0 H TYR B 76 -6.242 -2.659 -6.024 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.703 0.137 -5.405 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -7.800 -1.996 -4.381 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -6.297 -2.209 -3.504 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -8.980 0.362 -4.075 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -6.059 -1.198 -1.379 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -9.820 1.838 -2.309 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -6.916 0.271 0.391 1.00 0.59 H new ATOM 0 HH TYR B 76 -8.381 1.814 0.963 1.00 0.71 H new ATOM 2857 N TRP B 77 -3.707 -1.011 -5.212 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.287 -0.736 -4.888 1.00 0.40 C ATOM 2859 C TRP B 77 -1.890 0.738 -5.187 1.00 0.35 C ATOM 2860 O TRP B 77 -0.904 1.231 -4.631 1.00 0.37 O ATOM 2861 CB TRP B 77 -1.386 -1.782 -5.626 1.00 0.58 C ATOM 2862 CG TRP B 77 -0.097 -1.290 -6.254 1.00 0.48 C ATOM 2863 CD1 TRP B 77 1.069 -0.986 -5.610 1.00 0.56 C ATOM 2864 CD2 TRP B 77 0.158 -1.083 -7.655 1.00 0.74 C ATOM 2865 NE1 TRP B 77 2.025 -0.599 -6.519 1.00 0.79 N ATOM 2866 CE2 TRP B 77 1.492 -0.657 -7.780 1.00 0.94 C ATOM 2867 CE3 TRP B 77 -0.612 -1.219 -8.816 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 2.066 -0.365 -9.019 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 -0.041 -0.930 -10.039 1.00 1.37 C ATOM 2870 CH2 TRP B 77 1.288 -0.511 -10.133 1.00 1.54 C ATOM 0 H TRP B 77 -3.827 -1.739 -5.917 1.00 0.39 H new ATOM 0 HA TRP B 77 -2.132 -0.850 -3.815 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -1.133 -2.567 -4.913 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -1.985 -2.245 -6.410 1.00 0.58 H new ATOM 0 HD1 TRP B 77 1.218 -1.042 -4.542 1.00 0.56 H new ATOM 0 HE1 TRP B 77 2.978 -0.314 -6.291 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -1.640 -1.546 -8.756 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 3.091 -0.035 -9.094 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 -0.631 -1.029 -10.938 1.00 1.37 H new ATOM 0 HH2 TRP B 77 1.709 -0.298 -11.105 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.667 1.439 -6.046 1.00 0.37 N ATOM 2882 CA ARG B 78 -2.401 2.854 -6.383 1.00 0.41 C ATOM 2883 C ARG B 78 -2.771 3.804 -5.216 1.00 0.38 C ATOM 2884 O ARG B 78 -2.181 4.879 -5.096 1.00 0.45 O ATOM 2885 CB ARG B 78 -3.175 3.280 -7.653 1.00 0.49 C ATOM 2886 CG ARG B 78 -2.845 2.477 -8.923 1.00 0.68 C ATOM 2887 CD ARG B 78 -1.649 3.042 -9.696 1.00 0.88 C ATOM 2888 NE ARG B 78 -2.052 3.879 -10.838 1.00 1.17 N ATOM 2889 CZ ARG B 78 -2.383 3.421 -12.069 1.00 1.72 C ATOM 2890 NH1 ARG B 78 -2.406 2.108 -12.344 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -2.702 4.293 -13.030 1.00 2.15 N ATOM 0 H ARG B 78 -3.482 1.046 -6.517 1.00 0.37 H new ATOM 0 HA ARG B 78 -1.330 2.934 -6.570 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -4.243 3.192 -7.454 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -2.972 4.333 -7.846 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -2.637 1.443 -8.648 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -3.718 2.464 -9.575 1.00 0.68 H new ATOM 0 HD2 ARG B 78 -1.031 3.632 -9.019 1.00 0.88 H new ATOM 0 HD3 ARG B 78 -1.032 2.218 -10.055 1.00 0.88 H new ATOM 0 HE ARG B 78 -2.085 4.888 -10.690 1.00 1.17 H new ATOM 0 HH11 ARG B 78 -2.171 1.431 -11.618 1.00 2.14 H new ATOM 0 HH12 ARG B 78 -2.658 1.787 -13.279 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -2.695 5.294 -12.833 1.00 2.15 H new ATOM 0 HH22 ARG B 78 -2.953 3.958 -13.960 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.748 3.402 -4.359 1.00 0.33 N ATOM 2906 CA LEU B 79 -4.194 4.230 -3.211 1.00 0.34 C ATOM 2907 C LEU B 79 -3.366 3.937 -1.951 1.00 0.32 C ATOM 2908 O LEU B 79 -3.167 4.835 -1.134 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.699 4.017 -2.907 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.403 5.150 -2.116 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.594 6.402 -2.978 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.746 4.670 -1.563 1.00 0.48 C ATOM 0 H LEU B 79 -4.239 2.512 -4.443 1.00 0.33 H new ATOM 0 HA LEU B 79 -4.040 5.271 -3.496 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -6.224 3.882 -3.853 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.808 3.089 -2.346 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.758 5.417 -1.279 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -7.090 7.175 -2.392 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -5.622 6.766 -3.311 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -7.206 6.156 -3.846 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -8.223 5.480 -1.012 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.390 4.363 -2.387 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.583 3.824 -0.896 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.904 2.674 -1.784 1.00 0.34 N ATOM 2925 CA ILE B 80 -2.074 2.288 -0.618 1.00 0.37 C ATOM 2926 C ILE B 80 -0.741 3.066 -0.648 1.00 0.36 C ATOM 2927 O ILE B 80 -0.236 3.470 0.404 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.806 0.738 -0.550 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -3.132 -0.078 -0.610 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -1.004 0.357 0.708 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -4.107 0.176 0.536 1.00 0.56 C ATOM 0 H ILE B 80 -3.090 1.912 -2.436 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.633 2.547 0.281 1.00 0.37 H new ATOM 0 HB ILE B 80 -1.210 0.484 -1.426 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -3.636 0.147 -1.550 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -2.885 -1.140 -0.627 1.00 0.47 H new ATOM 0 HG21 ILE B 80 -0.838 -0.720 0.721 1.00 0.54 H new ATOM 0 HG22 ILE B 80 -0.043 0.872 0.697 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -1.562 0.649 1.598 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -4.996 -0.440 0.400 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -3.630 -0.079 1.483 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -4.392 1.228 0.545 1.00 0.56 H new ATOM 2943 N GLY B 81 -0.188 3.271 -1.869 1.00 0.36 N ATOM 2944 CA GLY B 81 1.047 4.038 -2.043 1.00 0.39 C ATOM 2945 C GLY B 81 0.852 5.514 -1.700 1.00 0.37 C ATOM 2946 O GLY B 81 1.735 6.139 -1.104 1.00 0.42 O ATOM 0 H GLY B 81 -0.584 2.913 -2.738 1.00 0.36 H new ATOM 0 HA2 GLY B 81 1.828 3.618 -1.409 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.389 3.947 -3.074 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.320 6.065 -2.086 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.680 7.467 -1.803 1.00 0.36 C ATOM 2952 C GLU B 82 -1.127 7.637 -0.334 1.00 0.33 C ATOM 2953 O GLU B 82 -1.006 8.727 0.223 1.00 0.40 O ATOM 2954 CB GLU B 82 -1.795 7.953 -2.763 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.398 7.988 -4.242 1.00 0.49 C ATOM 2956 CD GLU B 82 -0.342 9.038 -4.558 1.00 0.61 C ATOM 2957 OE1 GLU B 82 0.861 8.727 -4.429 1.00 0.79 O ATOM 2958 OE2 GLU B 82 -0.719 10.169 -4.937 1.00 0.91 O ATOM 0 H GLU B 82 -1.037 5.552 -2.599 1.00 0.34 H new ATOM 0 HA GLU B 82 0.208 8.079 -1.965 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.662 7.302 -2.649 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -2.105 8.953 -2.461 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -1.023 7.007 -4.534 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.285 8.182 -4.845 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.643 6.548 0.288 1.00 0.33 N ATOM 2966 CA LEU B 83 -2.095 6.568 1.698 1.00 0.35 C ATOM 2967 C LEU B 83 -0.920 6.884 2.645 1.00 0.37 C ATOM 2968 O LEU B 83 -1.031 7.759 3.508 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.745 5.205 2.093 1.00 0.42 C ATOM 2970 CG LEU B 83 -4.246 5.248 2.480 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -5.142 5.411 1.255 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -4.644 3.997 3.272 1.00 0.63 C ATOM 0 H LEU B 83 -1.756 5.643 -0.168 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.845 7.353 1.796 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.626 4.514 1.258 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -2.187 4.790 2.932 1.00 0.42 H new ATOM 0 HG LEU B 83 -4.390 6.122 3.115 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -6.186 5.437 1.568 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.894 6.341 0.744 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.987 4.572 0.577 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -5.701 4.052 3.531 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -4.465 3.110 2.665 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -4.049 3.939 4.184 1.00 0.63 H new ATOM 2984 N ALA B 84 0.212 6.180 2.450 1.00 0.38 N ATOM 2985 CA ALA B 84 1.417 6.359 3.282 1.00 0.44 C ATOM 2986 C ALA B 84 2.167 7.662 2.948 1.00 0.45 C ATOM 2987 O ALA B 84 2.774 8.268 3.837 1.00 0.55 O ATOM 2988 CB ALA B 84 2.345 5.158 3.129 1.00 0.55 C ATOM 0 H ALA B 84 0.317 5.477 1.718 1.00 0.38 H new ATOM 0 HA ALA B 84 1.089 6.433 4.319 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.231 5.302 3.748 1.00 0.55 H new ATOM 0 HB2 ALA B 84 1.825 4.254 3.444 1.00 0.55 H new ATOM 0 HB3 ALA B 84 2.643 5.059 2.085 1.00 0.55 H new ATOM 2994 N LYS B 85 2.133 8.081 1.666 1.00 0.41 N ATOM 2995 CA LYS B 85 2.799 9.320 1.215 1.00 0.45 C ATOM 2996 C LYS B 85 2.043 10.588 1.694 1.00 0.47 C ATOM 2997 O LYS B 85 2.667 11.635 1.892 1.00 0.57 O ATOM 2998 CB LYS B 85 2.941 9.329 -0.330 1.00 0.49 C ATOM 2999 CG LYS B 85 3.920 10.383 -0.870 1.00 0.57 C ATOM 3000 CD LYS B 85 3.694 10.712 -2.356 1.00 0.66 C ATOM 3001 CE LYS B 85 4.578 9.886 -3.302 1.00 0.79 C ATOM 3002 NZ LYS B 85 4.319 8.415 -3.217 1.00 1.10 N ATOM 0 H LYS B 85 1.649 7.577 0.923 1.00 0.41 H new ATOM 0 HA LYS B 85 3.792 9.339 1.663 1.00 0.45 H new ATOM 0 HB2 LYS B 85 3.270 8.343 -0.658 1.00 0.49 H new ATOM 0 HB3 LYS B 85 1.960 9.502 -0.772 1.00 0.49 H new ATOM 0 HG2 LYS B 85 3.822 11.296 -0.283 1.00 0.57 H new ATOM 0 HG3 LYS B 85 4.941 10.025 -0.734 1.00 0.57 H new ATOM 0 HD2 LYS B 85 2.647 10.539 -2.604 1.00 0.66 H new ATOM 0 HD3 LYS B 85 3.889 11.772 -2.520 1.00 0.66 H new ATOM 0 HE2 LYS B 85 4.412 10.219 -4.327 1.00 0.79 H new ATOM 0 HE3 LYS B 85 5.626 10.078 -3.070 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 4.817 7.930 -3.990 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 4.662 8.054 -2.304 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 3.298 8.237 -3.298 1.00 1.10 H new ATOM 3016 N GLU B 86 0.703 10.483 1.888 1.00 0.42 N ATOM 3017 CA GLU B 86 -0.135 11.622 2.338 1.00 0.46 C ATOM 3018 C GLU B 86 -0.176 11.783 3.881 1.00 0.50 C ATOM 3019 O GLU B 86 -0.917 12.634 4.384 1.00 0.81 O ATOM 3020 CB GLU B 86 -1.572 11.470 1.783 1.00 0.52 C ATOM 3021 CG GLU B 86 -1.686 11.647 0.264 1.00 0.59 C ATOM 3022 CD GLU B 86 -1.769 13.101 -0.173 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -2.781 13.759 0.146 1.00 1.48 O ATOM 3024 OE2 GLU B 86 -0.824 13.579 -0.837 1.00 1.68 O ATOM 0 H GLU B 86 0.181 9.620 1.739 1.00 0.42 H new ATOM 0 HA GLU B 86 0.328 12.526 1.943 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.950 10.483 2.051 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -2.216 12.201 2.271 1.00 0.52 H new ATOM 0 HG2 GLU B 86 -0.824 11.181 -0.214 1.00 0.59 H new ATOM 0 HG3 GLU B 86 -2.571 11.118 -0.090 1.00 0.59 H new ATOM 3031 N ILE B 87 0.610 10.979 4.638 1.00 0.48 N ATOM 3032 CA ILE B 87 0.640 11.072 6.113 1.00 0.51 C ATOM 3033 C ILE B 87 1.704 12.097 6.579 1.00 0.53 C ATOM 3034 O ILE B 87 1.476 12.832 7.547 1.00 0.58 O ATOM 3035 CB ILE B 87 0.868 9.648 6.777 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.142 9.507 8.148 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.352 9.266 6.916 1.00 0.62 C ATOM 3038 CD1 ILE B 87 0.485 10.560 9.189 1.00 0.63 C ATOM 0 H ILE B 87 1.227 10.264 4.252 1.00 0.48 H new ATOM 0 HA ILE B 87 -0.333 11.430 6.448 1.00 0.51 H new ATOM 0 HB ILE B 87 0.419 8.942 6.078 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.933 9.533 7.973 1.00 0.61 H new ATOM 0 HG13 ILE B 87 0.374 8.525 8.561 1.00 0.61 H new ATOM 0 HG21 ILE B 87 2.433 8.282 7.377 1.00 0.62 H new ATOM 0 HG22 ILE B 87 2.816 9.244 5.930 1.00 0.62 H new ATOM 0 HG23 ILE B 87 2.860 10.002 7.540 1.00 0.62 H new ATOM 0 HD11 ILE B 87 -0.077 10.365 10.103 1.00 0.63 H new ATOM 0 HD12 ILE B 87 1.553 10.524 9.405 1.00 0.63 H new ATOM 0 HD13 ILE B 87 0.225 11.547 8.807 1.00 0.63 H new ATOM 3050 N ARG B 88 2.852 12.157 5.866 1.00 0.57 N ATOM 3051 CA ARG B 88 3.954 13.068 6.222 1.00 0.67 C ATOM 3052 C ARG B 88 4.102 14.261 5.254 1.00 0.67 C ATOM 3053 O ARG B 88 4.547 15.328 5.685 1.00 0.84 O ATOM 3054 CB ARG B 88 5.279 12.283 6.327 1.00 0.75 C ATOM 3055 CG ARG B 88 5.791 11.684 5.016 1.00 0.82 C ATOM 3056 CD ARG B 88 6.963 10.732 5.246 1.00 1.05 C ATOM 3057 NE ARG B 88 7.540 10.268 3.980 1.00 1.17 N ATOM 3058 CZ ARG B 88 6.979 9.348 3.168 1.00 1.26 C ATOM 3059 NH1 ARG B 88 5.834 8.728 3.495 1.00 1.64 N ATOM 3060 NH2 ARG B 88 7.572 9.044 2.020 1.00 1.55 N ATOM 0 H ARG B 88 3.035 11.584 5.042 1.00 0.57 H new ATOM 0 HA ARG B 88 3.704 13.497 7.192 1.00 0.67 H new ATOM 0 HB2 ARG B 88 6.045 12.948 6.727 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.148 11.477 7.049 1.00 0.75 H new ATOM 0 HG2 ARG B 88 4.981 11.150 4.520 1.00 0.82 H new ATOM 0 HG3 ARG B 88 6.101 12.486 4.346 1.00 0.82 H new ATOM 0 HD2 ARG B 88 7.731 11.235 5.833 1.00 1.05 H new ATOM 0 HD3 ARG B 88 6.627 9.875 5.829 1.00 1.05 H new ATOM 0 HE ARG B 88 8.432 10.671 3.692 1.00 1.17 H new ATOM 0 HH11 ARG B 88 5.368 8.949 4.375 1.00 1.64 H new ATOM 0 HH12 ARG B 88 5.430 8.036 2.864 1.00 1.64 H new ATOM 0 HH21 ARG B 88 8.444 9.505 1.759 1.00 1.55 H new ATOM 0 HH22 ARG B 88 7.156 8.350 1.399 1.00 1.55 H new ATOM 3074 N LYS B 89 3.738 14.094 3.955 1.00 0.60 N ATOM 3075 CA LYS B 89 3.867 15.190 2.972 1.00 0.67 C ATOM 3076 C LYS B 89 2.670 15.288 1.998 1.00 0.63 C ATOM 3077 O LYS B 89 2.835 15.157 0.777 1.00 0.76 O ATOM 3078 CB LYS B 89 5.212 15.088 2.205 1.00 0.76 C ATOM 3079 CG LYS B 89 5.449 13.776 1.440 1.00 0.78 C ATOM 3080 CD LYS B 89 6.471 13.954 0.304 1.00 1.06 C ATOM 3081 CE LYS B 89 7.073 12.628 -0.162 1.00 1.32 C ATOM 3082 NZ LYS B 89 7.973 12.802 -1.340 1.00 1.65 N ATOM 0 H LYS B 89 3.360 13.226 3.574 1.00 0.60 H new ATOM 0 HA LYS B 89 3.860 16.118 3.544 1.00 0.67 H new ATOM 0 HB2 LYS B 89 5.268 15.915 1.497 1.00 0.76 H new ATOM 0 HB3 LYS B 89 6.026 15.223 2.917 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.803 13.011 2.131 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.505 13.420 1.027 1.00 0.78 H new ATOM 0 HD2 LYS B 89 5.987 14.445 -0.540 1.00 1.06 H new ATOM 0 HD3 LYS B 89 7.271 14.613 0.641 1.00 1.06 H new ATOM 0 HE2 LYS B 89 7.633 12.177 0.657 1.00 1.32 H new ATOM 0 HE3 LYS B 89 6.270 11.937 -0.419 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 8.359 11.878 -1.622 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 7.434 13.208 -2.131 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 8.754 13.441 -1.089 1.00 1.65 H new ATOM 3096 N LYS B 90 1.457 15.533 2.537 1.00 0.58 N ATOM 3097 CA LYS B 90 0.254 15.705 1.689 1.00 0.56 C ATOM 3098 C LYS B 90 0.258 17.116 1.055 1.00 0.54 C ATOM 3099 O LYS B 90 -0.176 17.293 -0.088 1.00 0.58 O ATOM 3100 CB LYS B 90 -1.070 15.426 2.457 1.00 0.59 C ATOM 3101 CG LYS B 90 -1.421 16.377 3.618 1.00 0.66 C ATOM 3102 CD LYS B 90 -0.727 16.014 4.946 1.00 0.96 C ATOM 3103 CE LYS B 90 -1.701 15.934 6.129 1.00 1.48 C ATOM 3104 NZ LYS B 90 -2.527 17.171 6.295 1.00 2.03 N ATOM 0 H LYS B 90 1.284 15.616 3.539 1.00 0.58 H new ATOM 0 HA LYS B 90 0.298 14.959 0.896 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -1.890 15.452 1.739 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -1.024 14.411 2.853 1.00 0.59 H new ATOM 0 HG2 LYS B 90 -1.144 17.394 3.340 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -2.501 16.370 3.768 1.00 0.66 H new ATOM 0 HD2 LYS B 90 -0.220 15.056 4.834 1.00 0.96 H new ATOM 0 HD3 LYS B 90 0.040 16.757 5.164 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -2.362 15.079 5.990 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -1.137 15.755 7.045 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -2.619 17.394 7.307 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 -2.066 17.965 5.806 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -3.471 17.015 5.887 1.00 2.03 H new ATOM 3118 N LYS B 91 0.759 18.102 1.824 1.00 0.55 N ATOM 3119 CA LYS B 91 0.905 19.495 1.379 1.00 0.59 C ATOM 3120 C LYS B 91 2.273 20.014 1.862 1.00 0.62 C ATOM 3121 O LYS B 91 2.348 20.842 2.772 1.00 0.69 O ATOM 3122 CB LYS B 91 -0.245 20.379 1.920 1.00 0.64 C ATOM 3123 CG LYS B 91 -1.515 20.360 1.071 1.00 0.74 C ATOM 3124 CD LYS B 91 -2.636 21.177 1.719 1.00 0.84 C ATOM 3125 CE LYS B 91 -3.852 21.347 0.803 1.00 1.14 C ATOM 3126 NZ LYS B 91 -3.601 22.304 -0.317 1.00 1.36 N ATOM 0 H LYS B 91 1.076 17.949 2.781 1.00 0.55 H new ATOM 0 HA LYS B 91 0.854 19.540 0.291 1.00 0.59 H new ATOM 0 HB2 LYS B 91 -0.494 20.051 2.929 1.00 0.64 H new ATOM 0 HB3 LYS B 91 0.110 21.407 1.997 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -1.298 20.760 0.081 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -1.846 19.331 0.933 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.948 20.689 2.642 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -2.252 22.160 1.992 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -4.130 20.377 0.391 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -4.699 21.698 1.392 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -4.461 22.395 -0.895 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -3.346 23.234 0.072 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -2.822 21.950 -0.908 1.00 1.36 H new ATOM 3140 N ASP B 92 3.358 19.487 1.250 1.00 0.66 N ATOM 3141 CA ASP B 92 4.750 19.855 1.614 1.00 0.74 C ATOM 3142 C ASP B 92 5.038 21.373 1.509 1.00 0.92 C ATOM 3143 O ASP B 92 5.828 21.904 2.296 1.00 1.72 O ATOM 3144 CB ASP B 92 5.769 19.045 0.772 1.00 0.75 C ATOM 3145 CG ASP B 92 5.696 19.321 -0.728 1.00 0.88 C ATOM 3146 OD1 ASP B 92 4.844 18.706 -1.407 1.00 0.93 O ATOM 3147 OD2 ASP B 92 6.497 20.145 -1.220 1.00 1.15 O ATOM 0 H ASP B 92 3.298 18.801 0.497 1.00 0.66 H new ATOM 0 HA ASP B 92 4.866 19.597 2.667 1.00 0.74 H new ATOM 0 HB2 ASP B 92 6.776 19.271 1.124 1.00 0.75 H new ATOM 0 HB3 ASP B 92 5.602 17.982 0.944 1.00 0.75 H new ATOM 3152 N LEU B 93 4.396 22.063 0.542 1.00 0.63 N ATOM 3153 CA LEU B 93 4.592 23.517 0.343 1.00 0.66 C ATOM 3154 C LEU B 93 3.885 24.347 1.441 1.00 0.69 C ATOM 3155 O LEU B 93 4.478 25.284 1.984 1.00 0.82 O ATOM 3156 CB LEU B 93 4.079 23.947 -1.055 1.00 0.71 C ATOM 3157 CG LEU B 93 4.710 25.235 -1.637 1.00 0.97 C ATOM 3158 CD1 LEU B 93 6.062 24.938 -2.297 1.00 1.27 C ATOM 3159 CD2 LEU B 93 3.754 25.917 -2.625 1.00 1.18 C ATOM 0 H LEU B 93 3.739 21.638 -0.112 1.00 0.63 H new ATOM 0 HA LEU B 93 5.662 23.713 0.410 1.00 0.66 H new ATOM 0 HB2 LEU B 93 4.257 23.130 -1.754 1.00 0.71 H new ATOM 0 HB3 LEU B 93 3.000 24.088 -0.998 1.00 0.71 H new ATOM 0 HG LEU B 93 4.886 25.923 -0.810 1.00 0.97 H new ATOM 0 HD11 LEU B 93 6.482 25.861 -2.697 1.00 1.27 H new ATOM 0 HD12 LEU B 93 6.744 24.520 -1.557 1.00 1.27 H new ATOM 0 HD13 LEU B 93 5.922 24.222 -3.107 1.00 1.27 H new ATOM 0 HD21 LEU B 93 4.221 26.819 -3.019 1.00 1.18 H new ATOM 0 HD22 LEU B 93 3.532 25.235 -3.446 1.00 1.18 H new ATOM 0 HD23 LEU B 93 2.829 26.182 -2.113 1.00 1.18 H new ATOM 3171 N LYS B 94 2.625 23.984 1.763 1.00 0.66 N ATOM 3172 CA LYS B 94 1.822 24.689 2.786 1.00 0.74 C ATOM 3173 C LYS B 94 2.303 24.350 4.218 1.00 0.70 C ATOM 3174 O LYS B 94 2.511 25.255 5.033 1.00 0.79 O ATOM 3175 CB LYS B 94 0.328 24.319 2.615 1.00 0.84 C ATOM 3176 CG LYS B 94 -0.660 25.220 3.367 1.00 1.00 C ATOM 3177 CD LYS B 94 -0.878 26.567 2.669 1.00 1.15 C ATOM 3178 CE LYS B 94 -1.992 27.382 3.332 1.00 1.45 C ATOM 3179 NZ LYS B 94 -1.590 27.924 4.664 1.00 1.61 N ATOM 0 H LYS B 94 2.139 23.201 1.326 1.00 0.66 H new ATOM 0 HA LYS B 94 1.950 25.762 2.645 1.00 0.74 H new ATOM 0 HB2 LYS B 94 0.083 24.346 1.553 1.00 0.84 H new ATOM 0 HB3 LYS B 94 0.184 23.292 2.949 1.00 0.84 H new ATOM 0 HG2 LYS B 94 -1.616 24.705 3.462 1.00 1.00 H new ATOM 0 HG3 LYS B 94 -0.290 25.394 4.378 1.00 1.00 H new ATOM 0 HD2 LYS B 94 0.050 27.139 2.687 1.00 1.15 H new ATOM 0 HD3 LYS B 94 -1.127 26.397 1.622 1.00 1.15 H new ATOM 0 HE2 LYS B 94 -2.273 28.207 2.677 1.00 1.45 H new ATOM 0 HE3 LYS B 94 -2.875 26.755 3.450 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 -2.378 28.467 5.070 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 -1.348 27.138 5.300 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 -0.764 28.545 4.551 1.00 1.61 H new ATOM 3193 N ILE B 95 2.473 23.042 4.505 1.00 0.65 N ATOM 3194 CA ILE B 95 2.923 22.554 5.827 1.00 0.66 C ATOM 3195 C ILE B 95 4.130 21.605 5.681 1.00 0.68 C ATOM 3196 O ILE B 95 4.213 20.859 4.699 1.00 0.78 O ATOM 3197 CB ILE B 95 1.765 21.817 6.592 1.00 0.74 C ATOM 3198 CG1 ILE B 95 1.210 20.621 5.764 1.00 0.83 C ATOM 3199 CG2 ILE B 95 0.645 22.807 6.946 1.00 0.84 C ATOM 3200 CD1 ILE B 95 0.211 19.748 6.502 1.00 1.04 C ATOM 0 H ILE B 95 2.303 22.297 3.830 1.00 0.65 H new ATOM 0 HA ILE B 95 3.222 23.427 6.407 1.00 0.66 H new ATOM 0 HB ILE B 95 2.174 21.412 7.517 1.00 0.74 H new ATOM 0 HG12 ILE B 95 0.736 21.010 4.863 1.00 0.83 H new ATOM 0 HG13 ILE B 95 2.046 20.000 5.442 1.00 0.83 H new ATOM 0 HG21 ILE B 95 -0.150 22.282 7.476 1.00 0.84 H new ATOM 0 HG22 ILE B 95 1.045 23.597 7.582 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.244 23.245 6.032 1.00 0.84 H new ATOM 0 HD11 ILE B 95 -0.121 18.942 5.848 1.00 1.04 H new ATOM 0 HD12 ILE B 95 0.683 19.325 7.389 1.00 1.04 H new ATOM 0 HD13 ILE B 95 -0.648 20.350 6.800 1.00 1.04 H new ATOM 3212 N ARG B 96 5.068 21.634 6.652 1.00 0.70 N ATOM 3213 CA ARG B 96 6.257 20.755 6.612 1.00 0.79 C ATOM 3214 C ARG B 96 6.654 20.221 8.013 1.00 0.79 C ATOM 3215 O ARG B 96 7.824 19.898 8.245 1.00 1.02 O ATOM 3216 CB ARG B 96 7.448 21.468 5.917 1.00 0.99 C ATOM 3217 CG ARG B 96 7.911 22.780 6.561 1.00 1.12 C ATOM 3218 CD ARG B 96 8.994 23.471 5.725 1.00 1.41 C ATOM 3219 NE ARG B 96 10.196 22.625 5.565 1.00 1.59 N ATOM 3220 CZ ARG B 96 10.856 22.381 4.406 1.00 2.01 C ATOM 3221 NH1 ARG B 96 10.521 22.979 3.250 1.00 2.42 N ATOM 3222 NH2 ARG B 96 11.891 21.537 4.416 1.00 2.37 N ATOM 0 H ARG B 96 5.027 22.249 7.465 1.00 0.70 H new ATOM 0 HA ARG B 96 5.987 19.882 6.018 1.00 0.79 H new ATOM 0 HB2 ARG B 96 8.293 20.780 5.891 1.00 0.99 H new ATOM 0 HB3 ARG B 96 7.171 21.671 4.883 1.00 0.99 H new ATOM 0 HG2 ARG B 96 7.058 23.449 6.677 1.00 1.12 H new ATOM 0 HG3 ARG B 96 8.296 22.579 7.561 1.00 1.12 H new ATOM 0 HD2 ARG B 96 8.591 23.718 4.743 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.273 24.411 6.200 1.00 1.41 H new ATOM 0 HE ARG B 96 10.564 22.183 6.407 1.00 1.59 H new ATOM 0 HH11 ARG B 96 9.746 23.642 3.225 1.00 2.42 H new ATOM 0 HH12 ARG B 96 11.041 22.770 2.398 1.00 2.42 H new ATOM 0 HH21 ARG B 96 12.174 21.087 5.287 1.00 2.37 H new ATOM 0 HH22 ARG B 96 12.399 21.342 3.553 1.00 2.37 H new ATOM 3236 N LYS B 97 5.670 20.090 8.940 1.00 0.72 N ATOM 3237 CA LYS B 97 5.930 19.575 10.302 1.00 0.76 C ATOM 3238 C LYS B 97 4.618 19.217 11.040 1.00 0.76 C ATOM 3239 O LYS B 97 3.907 20.102 11.526 1.00 1.04 O ATOM 3240 CB LYS B 97 6.780 20.570 11.143 1.00 0.89 C ATOM 3241 CG LYS B 97 6.271 22.019 11.147 1.00 0.94 C ATOM 3242 CD LYS B 97 7.099 22.916 12.071 1.00 1.16 C ATOM 3243 CE LYS B 97 6.529 24.333 12.168 1.00 1.49 C ATOM 3244 NZ LYS B 97 5.166 24.371 12.782 1.00 1.86 N ATOM 0 H LYS B 97 4.695 20.334 8.766 1.00 0.72 H new ATOM 0 HA LYS B 97 6.508 18.659 10.185 1.00 0.76 H new ATOM 0 HB2 LYS B 97 6.818 20.212 12.172 1.00 0.89 H new ATOM 0 HB3 LYS B 97 7.802 20.561 10.764 1.00 0.89 H new ATOM 0 HG2 LYS B 97 6.302 22.417 10.133 1.00 0.94 H new ATOM 0 HG3 LYS B 97 5.228 22.036 11.464 1.00 0.94 H new ATOM 0 HD2 LYS B 97 7.136 22.473 13.066 1.00 1.16 H new ATOM 0 HD3 LYS B 97 8.124 22.963 11.704 1.00 1.16 H new ATOM 0 HE2 LYS B 97 7.205 24.952 12.758 1.00 1.49 H new ATOM 0 HE3 LYS B 97 6.485 24.771 11.171 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 4.901 25.357 12.978 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.478 23.951 12.125 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 5.170 23.831 13.671 1.00 1.86 H new ATOM 3258 N LYS B 98 4.294 17.907 11.088 1.00 0.71 N ATOM 3259 CA LYS B 98 3.091 17.409 11.778 1.00 0.74 C ATOM 3260 C LYS B 98 3.383 16.043 12.424 1.00 0.90 C ATOM 3261 O LYS B 98 3.685 16.018 13.637 1.00 1.07 O ATOM 3262 CB LYS B 98 1.887 17.323 10.806 1.00 0.96 C ATOM 3263 CG LYS B 98 0.548 17.037 11.500 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.603 16.829 10.509 1.00 1.52 C ATOM 3265 CE LYS B 98 -1.882 16.354 11.204 1.00 1.69 C ATOM 3266 NZ LYS B 98 -2.491 17.405 12.078 1.00 1.85 N ATOM 3267 OXT LYS B 98 3.319 15.016 11.714 1.00 1.15 O ATOM 0 H LYS B 98 4.854 17.174 10.653 1.00 0.71 H new ATOM 0 HA LYS B 98 2.824 18.114 12.565 1.00 0.74 H new ATOM 0 HB2 LYS B 98 1.808 18.261 10.257 1.00 0.96 H new ATOM 0 HB3 LYS B 98 2.080 16.540 10.073 1.00 0.96 H new ATOM 0 HG2 LYS B 98 0.650 16.149 12.123 1.00 1.08 H new ATOM 0 HG3 LYS B 98 0.304 17.866 12.164 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -0.802 17.763 9.984 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.306 16.097 9.757 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.608 16.049 10.450 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.658 15.473 11.805 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -3.353 17.030 12.523 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -1.812 17.679 12.816 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -2.732 18.237 11.503 1.00 1.85 H new TER 3281 LYS B 98 HETATM 3282 NAA ANW A 99 12.516 16.185 14.827 1.00 4.56 N HETATM 3283 NAB ANW A 99 13.179 18.324 15.452 1.00 6.22 N HETATM 3284 CAC ANW A 99 9.486 9.977 9.896 1.00 5.26 C HETATM 3285 CAD ANW A 99 10.893 10.194 10.458 1.00 4.51 C HETATM 3286 CAE ANW A 99 11.346 8.940 11.206 1.00 5.16 C HETATM 3287 CAF ANW A 99 10.900 11.288 11.316 1.00 3.64 C HETATM 3288 CAG ANW A 99 11.710 12.381 11.028 1.00 3.13 C HETATM 3289 CAH ANW A 99 11.781 13.451 11.912 1.00 2.76 C HETATM 3290 CAI ANW A 99 11.037 13.434 13.086 1.00 3.04 C HETATM 3291 CAJ ANW A 99 10.206 12.354 13.363 1.00 3.59 C HETATM 3292 CAK ANW A 99 10.141 11.280 12.481 1.00 3.84 C HETATM 3293 CAL ANW A 99 12.249 15.303 13.851 1.00 3.63 C HETATM 3294 CAM ANW A 99 13.172 17.328 14.571 1.00 5.17 C HETATM 3295 CAN ANW A 99 13.608 17.634 13.288 1.00 5.05 C HETATM 3296 CAO ANW A 99 13.328 16.744 12.257 1.00 4.25 C HETATM 3297 CAP ANW A 99 12.648 15.566 12.547 1.00 3.42 C HETATM 3298 CAQ ANW A 99 12.540 14.569 11.589 1.00 3.01 C HETATM 3299 CAR ANW A 99 14.483 18.693 13.068 1.00 6.05 C HETATM 3300 OAS ANW A 99 11.279 14.367 14.051 1.00 3.49 O HETATM 3301 OAT ANW A 99 13.065 14.685 10.483 1.00 3.52 O HETATM 3302 OAU ANW A 99 14.804 19.002 11.900 1.00 6.33 O HETATM 3303 OAV ANW A 99 14.962 19.323 14.035 1.00 6.88 O HETATM 0 HOAV ANW A 99 15.472 18.710 14.605 1.00 6.88 H new HETATM 0 HNAB ANW A 99 12.681 18.226 16.337 1.00 6.22 H new HETATM 0 HNAA ANW A 99 13.682 19.186 15.243 1.00 6.22 H new HETATM 0 HAEB ANW A 99 10.657 8.736 12.025 1.00 5.16 H new HETATM 0 HAEA ANW A 99 11.357 8.092 10.521 1.00 5.16 H new HETATM 0 HACB ANW A 99 9.495 9.130 9.210 1.00 5.26 H new HETATM 0 HACA ANW A 99 8.795 9.774 10.714 1.00 5.26 H new HETATM 0 HAO ANW A 99 13.637 16.966 11.236 1.00 4.25 H new HETATM 0 HAK ANW A 99 9.494 10.431 12.704 1.00 3.84 H new HETATM 0 HAJ ANW A 99 9.605 12.349 14.272 1.00 3.59 H new HETATM 0 HAG ANW A 99 12.291 12.399 10.106 1.00 3.13 H new HETATM 0 HAE ANW A 99 12.348 9.097 11.605 1.00 5.16 H new HETATM 0 HAD ANW A 99 11.581 10.389 9.635 1.00 4.51 H new HETATM 0 HAC ANW A 99 9.165 10.872 9.363 1.00 5.26 H new HETATM 3317 NAA ANW B 99 -10.316 -14.422 2.215 1.00 4.81 N HETATM 3318 NAB ANW B 99 -10.746 -15.817 0.409 1.00 6.57 N HETATM 3319 CAC ANW B 99 -11.390 -10.374 9.441 1.00 5.53 C HETATM 3320 CAD ANW B 99 -10.730 -11.752 9.356 1.00 4.77 C HETATM 3321 CAE ANW B 99 -9.412 -11.739 10.135 1.00 5.55 C HETATM 3322 CAF ANW B 99 -10.493 -12.081 8.027 1.00 3.85 C HETATM 3323 CAG ANW B 99 -11.172 -13.149 7.455 1.00 3.21 C HETATM 3324 CAH ANW B 99 -11.010 -13.440 6.105 1.00 2.83 C HETATM 3325 CAI ANW B 99 -10.142 -12.675 5.334 1.00 3.21 C HETATM 3326 CAJ ANW B 99 -9.448 -11.617 5.906 1.00 3.83 C HETATM 3327 CAK ANW B 99 -9.632 -11.311 7.251 1.00 4.12 C HETATM 3328 CAL ANW B 99 -10.564 -14.082 3.489 1.00 3.82 C HETATM 3329 CAM ANW B 99 -11.138 -15.240 1.541 1.00 5.45 C HETATM 3330 CAN ANW B 99 -12.286 -15.754 2.134 1.00 5.26 C HETATM 3331 CAO ANW B 99 -12.562 -15.420 3.454 1.00 4.33 C HETATM 3332 CAP ANW B 99 -11.692 -14.576 4.135 1.00 3.50 C HETATM 3333 CAQ ANW B 99 -11.837 -14.378 5.500 1.00 3.00 C HETATM 3334 CAR ANW B 99 -13.211 -16.477 1.389 1.00 6.31 C HETATM 3335 OAS ANW B 99 -9.925 -13.005 4.030 1.00 3.68 O HETATM 3336 OAT ANW B 99 -12.697 -14.977 6.143 1.00 3.40 O HETATM 3337 OAU ANW B 99 -14.217 -16.965 1.946 1.00 6.52 O HETATM 3338 OAV ANW B 99 -13.049 -16.628 0.159 1.00 7.25 O HETATM 0 HOAV ANW B 99 -13.646 -17.334 -0.165 1.00 7.25 H new HETATM 0 HNAB ANW B 99 -9.810 -15.640 0.044 1.00 6.57 H new HETATM 0 HNAA ANW B 99 -11.381 -16.437 -0.094 1.00 6.57 H new HETATM 0 HAEB ANW B 99 -8.744 -10.991 9.708 1.00 5.55 H new HETATM 0 HAEA ANW B 99 -9.609 -11.496 11.179 1.00 5.55 H new HETATM 0 HACB ANW B 99 -11.589 -10.129 10.484 1.00 5.53 H new HETATM 0 HACA ANW B 99 -10.724 -9.625 9.013 1.00 5.53 H new HETATM 0 HAO ANW B 99 -13.449 -15.815 3.949 1.00 4.33 H new HETATM 0 HAK ANW B 99 -9.102 -10.469 7.696 1.00 4.12 H new HETATM 0 HAJ ANW B 99 -8.759 -11.026 5.302 1.00 3.83 H new HETATM 0 HAG ANW B 99 -11.834 -13.761 8.067 1.00 3.21 H new HETATM 0 HAE ANW B 99 -8.943 -12.721 10.073 1.00 5.55 H new HETATM 0 HAD ANW B 99 -11.396 -12.498 9.791 1.00 4.77 H new HETATM 0 HAC ANW B 99 -12.328 -10.385 8.886 1.00 5.53 H new