USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 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: A 57 ASN : amide:sc= 1.85 K(o=3,f=-4.3!) USER MOD Set 1.2: A 60 THR OG1 : rot 79:sc= 1.18 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0.0618 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.31 K(o=0.37,f=-2.9!) USER MOD Set 3.1: A 14 GLN : amide:sc= 0.954 K(o=2.1,f=-3.2) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -126:sc= 0.227 (180deg=0) USER MOD Set 4.2: A 15 THR OG1 : rot 178:sc= 0.219 USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0.949 (180deg=0.922) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.462 K(o=0.46,f=-2!) USER MOD Single : A 4 MET CE :methyl -175:sc= -0.0394 (180deg=-0.0696) USER MOD Single : A 5 GLN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 7 THR OG1 : rot 126:sc=0.000529 USER MOD Single : A 10 THR OG1 : rot 170:sc= 0.201 USER MOD Single : A 12 GLN : amide:sc= 0.366 K(o=0.37,f=-5.9!) USER MOD Single : A 13 GLN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.21) USER MOD Single : A 25 THR OG1 : rot 137:sc= 0.276 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.15) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 1.18 (180deg=1.11) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0.0779 (180deg=0.0528) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.706 K(o=-0.71,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 1.56 (180deg=0.933) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.889) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.03) USER MOD Single : A 65 TYR OH : rot -46:sc= 0.206 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.094 -16.772 -1.500 1.00 10.00 N ATOM 2 CA GLY A 1 -6.420 -17.421 -1.446 1.00 10.00 C ATOM 3 C GLY A 1 -7.502 -16.478 -1.944 1.00 10.00 C ATOM 4 O GLY A 1 -7.464 -16.061 -3.103 1.00 10.00 O ATOM 0 H1 GLY A 1 -4.385 -17.394 -1.062 1.00 10.00 H new ATOM 0 H2 GLY A 1 -4.834 -16.595 -2.491 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.128 -15.869 -0.985 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -6.412 -18.326 -2.053 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -6.639 -17.726 -0.423 1.00 10.00 H new ATOM 10 N SER A 2 -8.460 -16.131 -1.077 1.00 10.00 N ATOM 11 CA SER A 2 -9.593 -15.204 -1.310 1.00 10.00 C ATOM 12 C SER A 2 -9.164 -13.725 -1.436 1.00 10.00 C ATOM 13 O SER A 2 -9.633 -12.849 -0.707 1.00 10.00 O ATOM 14 CB SER A 2 -10.639 -15.377 -0.195 1.00 10.00 C ATOM 15 OG SER A 2 -11.042 -16.735 -0.070 1.00 10.00 O ATOM 0 H SER A 2 -8.473 -16.510 -0.130 1.00 10.00 H new ATOM 0 HA SER A 2 -10.029 -15.468 -2.273 1.00 10.00 H new ATOM 0 HB2 SER A 2 -10.225 -15.030 0.752 1.00 10.00 H new ATOM 0 HB3 SER A 2 -11.509 -14.756 -0.410 1.00 10.00 H new ATOM 0 HG SER A 2 -11.705 -16.815 0.647 1.00 10.00 H new ATOM 21 N HIS A 3 -8.216 -13.460 -2.335 1.00 10.00 N ATOM 22 CA HIS A 3 -7.565 -12.171 -2.577 1.00 10.00 C ATOM 23 C HIS A 3 -8.520 -11.024 -2.961 1.00 10.00 C ATOM 24 O HIS A 3 -9.638 -11.232 -3.440 1.00 10.00 O ATOM 25 CB HIS A 3 -6.468 -12.372 -3.637 1.00 10.00 C ATOM 26 CG HIS A 3 -6.977 -12.831 -4.984 1.00 10.00 C ATOM 27 ND1 HIS A 3 -7.276 -14.127 -5.356 1.00 10.00 N ATOM 28 CD2 HIS A 3 -7.236 -12.033 -6.069 1.00 10.00 C ATOM 29 CE1 HIS A 3 -7.709 -14.109 -6.627 1.00 10.00 C ATOM 30 NE2 HIS A 3 -7.702 -12.852 -7.109 1.00 10.00 N ATOM 0 H HIS A 3 -7.859 -14.187 -2.954 1.00 10.00 H new ATOM 0 HA HIS A 3 -7.135 -11.844 -1.630 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -5.929 -11.434 -3.767 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.750 -13.103 -3.265 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -7.184 -14.955 -4.767 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -7.104 -10.962 -6.115 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -8.019 -14.981 -7.184 1.00 10.00 H new ATOM 38 N MET A 4 -8.024 -9.794 -2.806 1.00 10.00 N ATOM 39 CA MET A 4 -8.656 -8.544 -3.233 1.00 10.00 C ATOM 40 C MET A 4 -7.642 -7.662 -3.971 1.00 10.00 C ATOM 41 O MET A 4 -6.434 -7.785 -3.749 1.00 10.00 O ATOM 42 CB MET A 4 -9.245 -7.798 -2.019 1.00 10.00 C ATOM 43 CG MET A 4 -8.180 -7.254 -1.049 1.00 10.00 C ATOM 44 SD MET A 4 -8.855 -6.328 0.356 1.00 10.00 S ATOM 45 CE MET A 4 -7.312 -5.692 1.061 1.00 10.00 C ATOM 0 H MET A 4 -7.123 -9.635 -2.355 1.00 10.00 H new ATOM 0 HA MET A 4 -9.471 -8.779 -3.918 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.856 -6.969 -2.375 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.907 -8.472 -1.476 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.591 -8.089 -0.670 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.498 -6.607 -1.602 1.00 10.00 H new ATOM 0 HE1 MET A 4 -7.526 -5.167 1.992 1.00 10.00 H new ATOM 0 HE2 MET A 4 -6.634 -6.522 1.260 1.00 10.00 H new ATOM 0 HE3 MET A 4 -6.846 -5.004 0.356 1.00 10.00 H new ATOM 55 N GLN A 5 -8.123 -6.742 -4.807 1.00 10.00 N ATOM 56 CA GLN A 5 -7.277 -5.754 -5.482 1.00 10.00 C ATOM 57 C GLN A 5 -7.355 -4.393 -4.772 1.00 10.00 C ATOM 58 O GLN A 5 -8.388 -4.047 -4.190 1.00 10.00 O ATOM 59 CB GLN A 5 -7.647 -5.615 -6.966 1.00 10.00 C ATOM 60 CG GLN A 5 -7.907 -6.942 -7.699 1.00 10.00 C ATOM 61 CD GLN A 5 -8.076 -6.745 -9.205 1.00 10.00 C ATOM 62 OE1 GLN A 5 -7.247 -7.153 -10.009 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.142 -6.118 -9.650 1.00 10.00 N ATOM 0 H GLN A 5 -9.113 -6.660 -5.037 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.248 -6.111 -5.430 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -8.538 -4.993 -7.046 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -6.842 -5.087 -7.477 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.078 -7.626 -7.514 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -8.803 -7.410 -7.293 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -9.842 -5.772 -8.993 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -9.270 -5.977 -10.652 1.00 10.00 H new ATOM 72 N VAL A 6 -6.276 -3.610 -4.832 1.00 10.00 N ATOM 73 CA VAL A 6 -6.161 -2.296 -4.175 1.00 10.00 C ATOM 74 C VAL A 6 -5.532 -1.285 -5.144 1.00 10.00 C ATOM 75 O VAL A 6 -4.727 -1.655 -6.000 1.00 10.00 O ATOM 76 CB VAL A 6 -5.346 -2.409 -2.862 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.307 -1.084 -2.091 1.00 10.00 C ATOM 78 CG2 VAL A 6 -5.930 -3.451 -1.897 1.00 10.00 C ATOM 0 H VAL A 6 -5.437 -3.873 -5.349 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.156 -1.941 -3.908 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.347 -2.702 -3.184 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -4.725 -1.211 -1.178 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -4.846 -0.316 -2.711 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.323 -0.782 -1.835 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.322 -3.491 -0.993 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -6.951 -3.173 -1.636 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.932 -4.430 -2.376 1.00 10.00 H new ATOM 88 N THR A 7 -5.888 -0.007 -5.006 1.00 10.00 N ATOM 89 CA THR A 7 -5.450 1.096 -5.875 1.00 10.00 C ATOM 90 C THR A 7 -4.487 2.005 -5.117 1.00 10.00 C ATOM 91 O THR A 7 -4.863 2.633 -4.125 1.00 10.00 O ATOM 92 CB THR A 7 -6.664 1.892 -6.385 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.600 1.025 -6.993 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.260 2.931 -7.427 1.00 10.00 C ATOM 0 H THR A 7 -6.511 0.304 -4.261 1.00 10.00 H new ATOM 0 HA THR A 7 -4.930 0.681 -6.738 1.00 10.00 H new ATOM 0 HB THR A 7 -7.098 2.391 -5.518 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.479 1.150 -6.579 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.144 3.472 -7.763 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.551 3.632 -6.986 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.795 2.432 -8.277 1.00 10.00 H new ATOM 102 N LEU A 8 -3.235 2.065 -5.569 1.00 10.00 N ATOM 103 CA LEU A 8 -2.129 2.753 -4.897 1.00 10.00 C ATOM 104 C LEU A 8 -1.708 3.999 -5.664 1.00 10.00 C ATOM 105 O LEU A 8 -1.494 3.957 -6.874 1.00 10.00 O ATOM 106 CB LEU A 8 -0.903 1.840 -4.756 1.00 10.00 C ATOM 107 CG LEU A 8 -1.145 0.472 -4.112 1.00 10.00 C ATOM 108 CD1 LEU A 8 0.211 -0.116 -3.734 1.00 10.00 C ATOM 109 CD2 LEU A 8 -1.977 0.540 -2.831 1.00 10.00 C ATOM 0 H LEU A 8 -2.951 1.621 -6.443 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.493 3.032 -3.908 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.479 1.681 -5.748 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.151 2.366 -4.169 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.693 -0.130 -4.837 1.00 10.00 H new ATOM 0 HD11 LEU A 8 0.068 -1.093 -3.272 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.823 -0.224 -4.629 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.712 0.548 -3.030 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.109 -0.465 -2.429 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.464 1.160 -2.096 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -2.952 0.973 -3.053 1.00 10.00 H new ATOM 121 N LYS A 9 -1.549 5.088 -4.923 1.00 10.00 N ATOM 122 CA LYS A 9 -1.412 6.479 -5.349 1.00 10.00 C ATOM 123 C LYS A 9 -0.143 7.074 -4.730 1.00 10.00 C ATOM 124 O LYS A 9 0.183 6.741 -3.593 1.00 10.00 O ATOM 125 CB LYS A 9 -2.693 7.150 -4.817 1.00 10.00 C ATOM 126 CG LYS A 9 -2.941 8.603 -5.198 1.00 10.00 C ATOM 127 CD LYS A 9 -3.214 8.761 -6.698 1.00 10.00 C ATOM 128 CE LYS A 9 -3.595 10.198 -7.052 1.00 10.00 C ATOM 129 NZ LYS A 9 -3.896 10.313 -8.501 1.00 10.00 N ATOM 0 H LYS A 9 -1.508 5.014 -3.907 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.312 6.612 -6.426 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -3.546 6.563 -5.159 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -2.678 7.086 -3.729 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.790 8.987 -4.632 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -2.075 9.204 -4.921 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -2.328 8.469 -7.262 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.018 8.087 -6.995 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.463 10.505 -6.469 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -2.780 10.872 -6.789 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -3.314 11.068 -8.918 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.682 9.411 -8.973 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.903 10.541 -8.629 1.00 10.00 H new ATOM 143 N THR A 10 0.591 7.929 -5.441 1.00 10.00 N ATOM 144 CA THR A 10 1.984 8.261 -5.060 1.00 10.00 C ATOM 145 C THR A 10 2.282 9.763 -5.008 1.00 10.00 C ATOM 146 O THR A 10 1.645 10.573 -5.690 1.00 10.00 O ATOM 147 CB THR A 10 2.988 7.574 -6.002 1.00 10.00 C ATOM 148 OG1 THR A 10 2.994 8.197 -7.268 1.00 10.00 O ATOM 149 CG2 THR A 10 2.713 6.084 -6.221 1.00 10.00 C ATOM 0 H THR A 10 0.258 8.406 -6.279 1.00 10.00 H new ATOM 0 HA THR A 10 2.097 7.884 -4.044 1.00 10.00 H new ATOM 0 HB THR A 10 3.952 7.673 -5.503 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.745 7.856 -7.797 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.463 5.671 -6.896 1.00 10.00 H new ATOM 0 HG22 THR A 10 2.758 5.561 -5.265 1.00 10.00 H new ATOM 0 HG23 THR A 10 1.722 5.957 -6.658 1.00 10.00 H new ATOM 157 N LEU A 11 3.305 10.140 -4.228 1.00 10.00 N ATOM 158 CA LEU A 11 3.890 11.494 -4.235 1.00 10.00 C ATOM 159 C LEU A 11 4.496 11.859 -5.603 1.00 10.00 C ATOM 160 O LEU A 11 4.528 13.033 -5.980 1.00 10.00 O ATOM 161 CB LEU A 11 4.969 11.607 -3.139 1.00 10.00 C ATOM 162 CG LEU A 11 4.484 11.393 -1.692 1.00 10.00 C ATOM 163 CD1 LEU A 11 5.663 11.556 -0.732 1.00 10.00 C ATOM 164 CD2 LEU A 11 3.393 12.385 -1.283 1.00 10.00 C ATOM 0 H LEU A 11 3.756 9.509 -3.566 1.00 10.00 H new ATOM 0 HA LEU A 11 3.083 12.198 -4.035 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.752 10.879 -3.351 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.426 12.594 -3.206 1.00 10.00 H new ATOM 0 HG LEU A 11 4.065 10.388 -1.643 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.322 11.405 0.292 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.431 10.820 -0.971 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.078 12.559 -0.832 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.089 12.188 -0.255 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.779 13.402 -1.359 1.00 10.00 H new ATOM 0 HD23 LEU A 11 2.533 12.273 -1.943 1.00 10.00 H new ATOM 176 N GLN A 12 4.909 10.853 -6.376 1.00 10.00 N ATOM 177 CA GLN A 12 5.456 10.947 -7.735 1.00 10.00 C ATOM 178 C GLN A 12 4.357 11.121 -8.817 1.00 10.00 C ATOM 179 O GLN A 12 4.631 10.998 -10.013 1.00 10.00 O ATOM 180 CB GLN A 12 6.330 9.701 -8.009 1.00 10.00 C ATOM 181 CG GLN A 12 7.547 9.546 -7.069 1.00 10.00 C ATOM 182 CD GLN A 12 7.302 8.716 -5.800 1.00 10.00 C ATOM 183 OE1 GLN A 12 6.215 8.651 -5.240 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.309 8.036 -5.294 1.00 10.00 N ATOM 0 H GLN A 12 4.869 9.887 -6.050 1.00 10.00 H new ATOM 0 HA GLN A 12 6.068 11.847 -7.796 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.707 8.811 -7.924 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.686 9.743 -9.038 1.00 10.00 H new ATOM 0 HG2 GLN A 12 8.361 9.088 -7.630 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.884 10.539 -6.773 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.225 8.073 -5.741 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.173 7.472 -4.455 1.00 10.00 H new ATOM 193 N GLN A 13 3.124 11.446 -8.407 1.00 10.00 N ATOM 194 CA GLN A 13 1.964 11.760 -9.257 1.00 10.00 C ATOM 195 C GLN A 13 1.546 10.606 -10.196 1.00 10.00 C ATOM 196 O GLN A 13 1.259 10.815 -11.379 1.00 10.00 O ATOM 197 CB GLN A 13 2.147 13.111 -9.983 1.00 10.00 C ATOM 198 CG GLN A 13 2.566 14.288 -9.080 1.00 10.00 C ATOM 199 CD GLN A 13 4.014 14.724 -9.314 1.00 10.00 C ATOM 200 OE1 GLN A 13 4.373 15.249 -10.361 1.00 10.00 O ATOM 201 NE2 GLN A 13 4.906 14.552 -8.361 1.00 10.00 N ATOM 0 H GLN A 13 2.894 11.500 -7.415 1.00 10.00 H new ATOM 0 HA GLN A 13 1.112 11.874 -8.587 1.00 10.00 H new ATOM 0 HB2 GLN A 13 2.898 12.987 -10.764 1.00 10.00 H new ATOM 0 HB3 GLN A 13 1.211 13.369 -10.479 1.00 10.00 H new ATOM 0 HG2 GLN A 13 1.902 15.134 -9.261 1.00 10.00 H new ATOM 0 HG3 GLN A 13 2.441 14.002 -8.036 1.00 10.00 H new ATOM 0 HE21 GLN A 13 4.633 14.117 -7.479 1.00 10.00 H new ATOM 0 HE22 GLN A 13 5.870 14.853 -8.504 1.00 10.00 H new ATOM 210 N GLN A 14 1.499 9.380 -9.666 1.00 10.00 N ATOM 211 CA GLN A 14 1.121 8.156 -10.379 1.00 10.00 C ATOM 212 C GLN A 14 0.056 7.380 -9.583 1.00 10.00 C ATOM 213 O GLN A 14 -0.034 7.513 -8.359 1.00 10.00 O ATOM 214 CB GLN A 14 2.404 7.326 -10.606 1.00 10.00 C ATOM 215 CG GLN A 14 2.220 6.124 -11.543 1.00 10.00 C ATOM 216 CD GLN A 14 3.519 5.353 -11.761 1.00 10.00 C ATOM 217 OE1 GLN A 14 3.720 4.259 -11.245 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.449 5.874 -12.533 1.00 10.00 N ATOM 0 H GLN A 14 1.733 9.206 -8.689 1.00 10.00 H new ATOM 0 HA GLN A 14 0.674 8.389 -11.345 1.00 10.00 H new ATOM 0 HB2 GLN A 14 3.176 7.977 -11.016 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.767 6.969 -9.642 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.468 5.454 -11.126 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.841 6.471 -12.504 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.298 6.783 -12.970 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.320 5.369 -12.694 1.00 10.00 H new ATOM 227 N THR A 15 -0.726 6.538 -10.271 1.00 10.00 N ATOM 228 CA THR A 15 -1.615 5.548 -9.641 1.00 10.00 C ATOM 229 C THR A 15 -1.522 4.198 -10.361 1.00 10.00 C ATOM 230 O THR A 15 -1.411 4.151 -11.589 1.00 10.00 O ATOM 231 CB THR A 15 -3.091 5.995 -9.589 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.242 7.403 -9.568 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.787 5.441 -8.345 1.00 10.00 C ATOM 0 H THR A 15 -0.761 6.523 -11.290 1.00 10.00 H new ATOM 0 HA THR A 15 -1.267 5.451 -8.612 1.00 10.00 H new ATOM 0 HB THR A 15 -3.544 5.603 -10.500 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.195 7.630 -9.569 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.826 5.771 -8.332 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.752 4.352 -8.363 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.280 5.805 -7.452 1.00 10.00 H new ATOM 241 N PHE A 16 -1.577 3.096 -9.611 1.00 10.00 N ATOM 242 CA PHE A 16 -1.532 1.712 -10.110 1.00 10.00 C ATOM 243 C PHE A 16 -2.369 0.773 -9.231 1.00 10.00 C ATOM 244 O PHE A 16 -2.829 1.159 -8.159 1.00 10.00 O ATOM 245 CB PHE A 16 -0.074 1.227 -10.200 1.00 10.00 C ATOM 246 CG PHE A 16 0.700 1.182 -8.892 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.279 2.367 -8.390 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.897 -0.033 -8.199 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.047 2.341 -7.213 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.720 -0.061 -7.066 1.00 10.00 C ATOM 251 CZ PHE A 16 2.286 1.122 -6.560 1.00 10.00 C ATOM 0 H PHE A 16 -1.658 3.141 -8.595 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.967 1.696 -11.109 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.072 0.227 -10.634 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.461 1.877 -10.893 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.131 3.300 -8.914 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.415 -0.937 -8.541 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.453 3.258 -6.812 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.922 -1.002 -6.576 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.902 1.093 -5.673 1.00 10.00 H new ATOM 261 N LYS A 17 -2.577 -0.466 -9.683 1.00 10.00 N ATOM 262 CA LYS A 17 -3.409 -1.483 -9.029 1.00 10.00 C ATOM 263 C LYS A 17 -2.711 -2.837 -8.986 1.00 10.00 C ATOM 264 O LYS A 17 -2.122 -3.291 -9.970 1.00 10.00 O ATOM 265 CB LYS A 17 -4.769 -1.581 -9.738 1.00 10.00 C ATOM 266 CG LYS A 17 -5.618 -0.348 -9.409 1.00 10.00 C ATOM 267 CD LYS A 17 -6.896 -0.239 -10.231 1.00 10.00 C ATOM 268 CE LYS A 17 -7.901 -1.339 -9.873 1.00 10.00 C ATOM 269 NZ LYS A 17 -9.176 -1.182 -10.615 1.00 10.00 N ATOM 0 H LYS A 17 -2.155 -0.803 -10.548 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.574 -1.178 -7.996 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.623 -1.656 -10.816 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.289 -2.486 -9.423 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -5.879 -0.371 -8.351 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.017 0.547 -9.569 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -7.352 0.737 -10.066 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.652 -0.301 -11.292 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -7.468 -2.314 -10.097 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -8.099 -1.316 -8.801 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -9.926 -1.719 -10.134 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -9.437 -0.176 -10.647 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -9.060 -1.541 -11.584 1.00 10.00 H new ATOM 283 N ILE A 18 -2.794 -3.456 -7.816 1.00 10.00 N ATOM 284 CA ILE A 18 -2.175 -4.722 -7.420 1.00 10.00 C ATOM 285 C ILE A 18 -3.156 -5.540 -6.560 1.00 10.00 C ATOM 286 O ILE A 18 -4.243 -5.057 -6.245 1.00 10.00 O ATOM 287 CB ILE A 18 -0.841 -4.447 -6.683 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.766 -3.194 -5.783 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.307 -4.369 -7.700 1.00 10.00 C ATOM 290 CD1 ILE A 18 -1.850 -3.175 -4.707 1.00 10.00 C ATOM 0 H ILE A 18 -3.341 -3.055 -7.054 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.945 -5.315 -8.305 1.00 10.00 H new ATOM 0 HB ILE A 18 -0.761 -5.291 -5.998 1.00 10.00 H new ATOM 0 HG12 ILE A 18 0.214 -3.152 -5.307 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -0.858 -2.301 -6.402 1.00 10.00 H new ATOM 0 HG21 ILE A 18 1.244 -4.175 -7.177 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.381 -5.314 -8.239 1.00 10.00 H new ATOM 0 HG23 ILE A 18 0.113 -3.562 -8.407 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -1.749 -2.272 -4.105 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -2.832 -3.188 -5.180 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -1.744 -4.051 -4.068 1.00 10.00 H new ATOM 302 N ASP A 19 -2.796 -6.764 -6.158 1.00 10.00 N ATOM 303 CA ASP A 19 -3.665 -7.670 -5.395 1.00 10.00 C ATOM 304 C ASP A 19 -2.906 -8.435 -4.296 1.00 10.00 C ATOM 305 O ASP A 19 -1.751 -8.829 -4.491 1.00 10.00 O ATOM 306 CB ASP A 19 -4.390 -8.631 -6.354 1.00 10.00 C ATOM 307 CG ASP A 19 -3.470 -9.710 -6.955 1.00 10.00 C ATOM 308 OD1 ASP A 19 -2.704 -9.404 -7.901 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.535 -10.880 -6.504 1.00 10.00 O ATOM 0 H ASP A 19 -1.877 -7.160 -6.357 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.406 -7.061 -4.878 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.206 -9.117 -5.820 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -4.838 -8.055 -7.164 1.00 10.00 H new ATOM 314 N ILE A 20 -3.547 -8.596 -3.134 1.00 10.00 N ATOM 315 CA ILE A 20 -3.087 -9.349 -1.950 1.00 10.00 C ATOM 316 C ILE A 20 -4.287 -9.991 -1.212 1.00 10.00 C ATOM 317 O ILE A 20 -5.442 -9.678 -1.504 1.00 10.00 O ATOM 318 CB ILE A 20 -2.229 -8.477 -0.989 1.00 10.00 C ATOM 319 CG1 ILE A 20 -3.017 -7.447 -0.150 1.00 10.00 C ATOM 320 CG2 ILE A 20 -1.015 -7.812 -1.677 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.897 -6.449 -0.914 1.00 10.00 C ATOM 0 H ILE A 20 -4.464 -8.177 -2.979 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.436 -10.147 -2.306 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.851 -9.211 -0.278 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.652 -7.994 0.547 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -2.303 -6.880 0.447 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.463 -7.220 -0.947 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.362 -8.582 -2.088 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.363 -7.164 -2.482 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.393 -5.785 -0.206 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.277 -5.861 -1.590 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.647 -6.992 -1.489 1.00 10.00 H new ATOM 333 N ASP A 21 -4.054 -10.871 -0.234 1.00 10.00 N ATOM 334 CA ASP A 21 -5.122 -11.396 0.639 1.00 10.00 C ATOM 335 C ASP A 21 -5.616 -10.347 1.672 1.00 10.00 C ATOM 336 O ASP A 21 -4.782 -9.738 2.350 1.00 10.00 O ATOM 337 CB ASP A 21 -4.643 -12.665 1.357 1.00 10.00 C ATOM 338 CG ASP A 21 -4.556 -13.860 0.394 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.619 -14.384 -0.014 1.00 10.00 O ATOM 340 OD2 ASP A 21 -3.436 -14.299 0.049 1.00 10.00 O ATOM 0 H ASP A 21 -3.128 -11.241 -0.021 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.970 -11.638 -0.001 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.665 -12.484 1.803 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -5.326 -12.903 2.172 1.00 10.00 H new ATOM 345 N PRO A 22 -6.942 -10.147 1.866 1.00 10.00 N ATOM 346 CA PRO A 22 -7.500 -9.263 2.904 1.00 10.00 C ATOM 347 C PRO A 22 -7.024 -9.573 4.332 1.00 10.00 C ATOM 348 O PRO A 22 -6.916 -8.678 5.172 1.00 10.00 O ATOM 349 CB PRO A 22 -9.023 -9.429 2.831 1.00 10.00 C ATOM 350 CG PRO A 22 -9.290 -9.986 1.439 1.00 10.00 C ATOM 351 CD PRO A 22 -8.018 -10.754 1.093 1.00 10.00 C ATOM 0 HA PRO A 22 -7.160 -8.246 2.706 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.384 -10.107 3.604 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.532 -8.477 2.980 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -10.163 -10.638 1.432 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.482 -9.189 0.721 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -8.124 -11.810 1.340 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.808 -10.696 0.025 1.00 10.00 H new ATOM 359 N GLU A 23 -6.750 -10.851 4.609 1.00 10.00 N ATOM 360 CA GLU A 23 -6.262 -11.351 5.899 1.00 10.00 C ATOM 361 C GLU A 23 -4.771 -11.049 6.150 1.00 10.00 C ATOM 362 O GLU A 23 -4.293 -11.243 7.270 1.00 10.00 O ATOM 363 CB GLU A 23 -6.484 -12.875 5.968 1.00 10.00 C ATOM 364 CG GLU A 23 -7.952 -13.317 5.841 1.00 10.00 C ATOM 365 CD GLU A 23 -8.844 -12.737 6.954 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.615 -13.048 8.150 1.00 10.00 O ATOM 367 OE2 GLU A 23 -9.783 -11.968 6.645 1.00 10.00 O ATOM 0 H GLU A 23 -6.866 -11.592 3.918 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.827 -10.831 6.673 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -5.906 -13.349 5.175 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.088 -13.244 6.914 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.339 -13.005 4.871 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -8.004 -14.405 5.869 1.00 10.00 H new ATOM 374 N GLU A 24 -4.017 -10.597 5.142 1.00 10.00 N ATOM 375 CA GLU A 24 -2.590 -10.306 5.263 1.00 10.00 C ATOM 376 C GLU A 24 -2.368 -8.870 5.775 1.00 10.00 C ATOM 377 O GLU A 24 -3.263 -8.025 5.689 1.00 10.00 O ATOM 378 CB GLU A 24 -1.953 -10.551 3.887 1.00 10.00 C ATOM 379 CG GLU A 24 -0.432 -10.669 3.905 1.00 10.00 C ATOM 380 CD GLU A 24 0.067 -11.848 4.761 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.188 -12.981 4.236 1.00 10.00 O ATOM 382 OE2 GLU A 24 0.343 -11.643 5.967 1.00 10.00 O ATOM 0 H GLU A 24 -4.389 -10.422 4.208 1.00 10.00 H new ATOM 0 HA GLU A 24 -2.116 -10.957 5.997 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.371 -11.465 3.465 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -2.233 -9.735 3.221 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -0.070 -10.789 2.884 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.005 -9.742 4.288 1.00 10.00 H new ATOM 389 N THR A 25 -1.191 -8.576 6.331 1.00 10.00 N ATOM 390 CA THR A 25 -0.866 -7.237 6.855 1.00 10.00 C ATOM 391 C THR A 25 -0.415 -6.275 5.754 1.00 10.00 C ATOM 392 O THR A 25 -0.062 -6.688 4.643 1.00 10.00 O ATOM 393 CB THR A 25 0.194 -7.291 7.967 1.00 10.00 C ATOM 394 OG1 THR A 25 1.427 -7.738 7.451 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.197 -8.218 9.118 1.00 10.00 C ATOM 0 H THR A 25 -0.435 -9.253 6.433 1.00 10.00 H new ATOM 0 HA THR A 25 -1.793 -6.855 7.282 1.00 10.00 H new ATOM 0 HB THR A 25 0.275 -6.274 8.352 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.153 -7.195 7.822 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.590 -8.214 9.872 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.129 -7.870 9.565 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.332 -9.231 8.739 1.00 10.00 H new ATOM 403 N VAL A 26 -0.384 -4.972 6.062 1.00 10.00 N ATOM 404 CA VAL A 26 0.094 -3.926 5.127 1.00 10.00 C ATOM 405 C VAL A 26 1.502 -4.213 4.595 1.00 10.00 C ATOM 406 O VAL A 26 1.769 -3.933 3.424 1.00 10.00 O ATOM 407 CB VAL A 26 0.060 -2.521 5.771 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.517 -1.411 4.814 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.341 -2.138 6.266 1.00 10.00 C ATOM 0 H VAL A 26 -0.688 -4.606 6.964 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.597 -3.945 4.284 1.00 10.00 H new ATOM 0 HB VAL A 26 0.753 -2.596 6.609 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.471 -0.449 5.324 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.541 -1.604 4.496 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.136 -1.391 3.942 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.311 -1.143 6.710 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -2.037 -2.140 5.427 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.672 -2.859 7.014 1.00 10.00 H new ATOM 419 N LYS A 27 2.379 -4.836 5.401 1.00 10.00 N ATOM 420 CA LYS A 27 3.738 -5.241 5.007 1.00 10.00 C ATOM 421 C LYS A 27 3.770 -5.975 3.667 1.00 10.00 C ATOM 422 O LYS A 27 4.666 -5.713 2.878 1.00 10.00 O ATOM 423 CB LYS A 27 4.374 -6.086 6.124 1.00 10.00 C ATOM 424 CG LYS A 27 5.795 -6.554 5.772 1.00 10.00 C ATOM 425 CD LYS A 27 6.433 -7.328 6.931 1.00 10.00 C ATOM 426 CE LYS A 27 7.812 -7.891 6.553 1.00 10.00 C ATOM 427 NZ LYS A 27 7.721 -9.010 5.575 1.00 10.00 N ATOM 0 H LYS A 27 2.157 -5.077 6.367 1.00 10.00 H new ATOM 0 HA LYS A 27 4.326 -4.334 4.866 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.405 -5.502 7.044 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.747 -6.956 6.319 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.762 -7.186 4.885 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.413 -5.691 5.525 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.533 -6.671 7.795 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.776 -8.146 7.227 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.424 -7.093 6.132 1.00 10.00 H new ATOM 0 HE3 LYS A 27 8.318 -8.239 7.453 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.651 -9.465 5.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.027 -9.708 5.910 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.421 -8.640 4.651 1.00 10.00 H new ATOM 441 N ALA A 28 2.800 -6.838 3.366 1.00 10.00 N ATOM 442 CA ALA A 28 2.787 -7.599 2.119 1.00 10.00 C ATOM 443 C ALA A 28 2.531 -6.731 0.871 1.00 10.00 C ATOM 444 O ALA A 28 3.290 -6.797 -0.097 1.00 10.00 O ATOM 445 CB ALA A 28 1.733 -8.699 2.261 1.00 10.00 C ATOM 0 H ALA A 28 2.005 -7.028 3.977 1.00 10.00 H new ATOM 0 HA ALA A 28 3.777 -8.026 1.959 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.696 -9.288 1.345 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.993 -9.346 3.099 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.757 -8.247 2.441 1.00 10.00 H new ATOM 451 N LEU A 29 1.503 -5.871 0.892 1.00 10.00 N ATOM 452 CA LEU A 29 1.228 -4.922 -0.201 1.00 10.00 C ATOM 453 C LEU A 29 2.337 -3.864 -0.330 1.00 10.00 C ATOM 454 O LEU A 29 2.648 -3.402 -1.426 1.00 10.00 O ATOM 455 CB LEU A 29 -0.215 -4.379 -0.095 1.00 10.00 C ATOM 456 CG LEU A 29 -0.412 -2.977 0.504 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.171 -1.842 -0.493 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.863 -2.824 0.959 1.00 10.00 C ATOM 0 H LEU A 29 0.839 -5.812 1.664 1.00 10.00 H new ATOM 0 HA LEU A 29 1.262 -5.442 -1.158 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.647 -4.379 -1.096 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.794 -5.083 0.503 1.00 10.00 H new ATOM 0 HG LEU A 29 0.312 -2.901 1.315 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.329 -0.884 0.002 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.853 -1.895 -0.864 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.865 -1.938 -1.328 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -2.008 -1.831 1.385 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.528 -2.953 0.105 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -2.090 -3.578 1.712 1.00 10.00 H new ATOM 470 N LYS A 30 2.981 -3.524 0.786 1.00 10.00 N ATOM 471 CA LYS A 30 4.117 -2.604 0.866 1.00 10.00 C ATOM 472 C LYS A 30 5.432 -3.210 0.370 1.00 10.00 C ATOM 473 O LYS A 30 6.199 -2.526 -0.307 1.00 10.00 O ATOM 474 CB LYS A 30 4.146 -2.119 2.321 1.00 10.00 C ATOM 475 CG LYS A 30 5.271 -1.152 2.705 1.00 10.00 C ATOM 476 CD LYS A 30 6.286 -1.824 3.633 1.00 10.00 C ATOM 477 CE LYS A 30 7.163 -0.760 4.310 1.00 10.00 C ATOM 478 NZ LYS A 30 7.704 -1.235 5.609 1.00 10.00 N ATOM 0 H LYS A 30 2.715 -3.897 1.697 1.00 10.00 H new ATOM 0 HA LYS A 30 3.995 -1.760 0.187 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.194 -1.635 2.537 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.213 -2.993 2.969 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.775 -0.800 1.805 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.849 -0.276 3.197 1.00 10.00 H new ATOM 0 HD2 LYS A 30 5.766 -2.413 4.388 1.00 10.00 H new ATOM 0 HD3 LYS A 30 6.910 -2.514 3.065 1.00 10.00 H new ATOM 0 HE2 LYS A 30 7.987 -0.494 3.648 1.00 10.00 H new ATOM 0 HE3 LYS A 30 6.578 0.146 4.470 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 8.456 -0.591 5.928 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 6.942 -1.255 6.316 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 8.094 -2.192 5.494 1.00 10.00 H new ATOM 492 N GLU A 31 5.687 -4.493 0.627 1.00 10.00 N ATOM 493 CA GLU A 31 6.894 -5.171 0.150 1.00 10.00 C ATOM 494 C GLU A 31 6.802 -5.563 -1.331 1.00 10.00 C ATOM 495 O GLU A 31 7.795 -5.446 -2.050 1.00 10.00 O ATOM 496 CB GLU A 31 7.277 -6.364 1.052 1.00 10.00 C ATOM 497 CG GLU A 31 6.604 -7.711 0.760 1.00 10.00 C ATOM 498 CD GLU A 31 7.109 -8.802 1.724 1.00 10.00 C ATOM 499 OE1 GLU A 31 6.864 -8.711 2.951 1.00 10.00 O ATOM 500 OE2 GLU A 31 7.768 -9.768 1.261 1.00 10.00 O ATOM 0 H GLU A 31 5.065 -5.091 1.170 1.00 10.00 H new ATOM 0 HA GLU A 31 7.707 -4.449 0.220 1.00 10.00 H new ATOM 0 HB2 GLU A 31 8.356 -6.504 0.985 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.054 -6.092 2.084 1.00 10.00 H new ATOM 0 HG2 GLU A 31 5.523 -7.609 0.855 1.00 10.00 H new ATOM 0 HG3 GLU A 31 6.807 -8.008 -0.269 1.00 10.00 H new ATOM 507 N LYS A 32 5.622 -5.985 -1.821 1.00 10.00 N ATOM 508 CA LYS A 32 5.474 -6.454 -3.209 1.00 10.00 C ATOM 509 C LYS A 32 5.710 -5.360 -4.258 1.00 10.00 C ATOM 510 O LYS A 32 6.215 -5.655 -5.339 1.00 10.00 O ATOM 511 CB LYS A 32 4.120 -7.168 -3.375 1.00 10.00 C ATOM 512 CG LYS A 32 2.894 -6.237 -3.396 1.00 10.00 C ATOM 513 CD LYS A 32 2.319 -5.905 -4.790 1.00 10.00 C ATOM 514 CE LYS A 32 1.958 -7.121 -5.664 1.00 10.00 C ATOM 515 NZ LYS A 32 1.073 -8.110 -4.987 1.00 10.00 N ATOM 0 H LYS A 32 4.760 -6.010 -1.277 1.00 10.00 H new ATOM 0 HA LYS A 32 6.268 -7.176 -3.401 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.139 -7.741 -4.302 1.00 10.00 H new ATOM 0 HB3 LYS A 32 4.001 -7.883 -2.561 1.00 10.00 H new ATOM 0 HG2 LYS A 32 2.105 -6.695 -2.799 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.164 -5.302 -2.904 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.425 -5.295 -4.659 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.045 -5.295 -5.328 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.467 -6.771 -6.572 1.00 10.00 H new ATOM 0 HE3 LYS A 32 2.877 -7.621 -5.971 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.011 -8.973 -5.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.466 -8.346 -4.054 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 0.123 -7.703 -4.869 1.00 10.00 H new ATOM 529 N ILE A 33 5.395 -4.099 -3.942 1.00 10.00 N ATOM 530 CA ILE A 33 5.562 -2.974 -4.874 1.00 10.00 C ATOM 531 C ILE A 33 7.009 -2.482 -4.951 1.00 10.00 C ATOM 532 O ILE A 33 7.395 -1.921 -5.973 1.00 10.00 O ATOM 533 CB ILE A 33 4.545 -1.845 -4.609 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.725 -1.044 -3.301 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.130 -2.437 -4.669 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.734 0.104 -3.430 1.00 10.00 C ATOM 0 H ILE A 33 5.017 -3.828 -3.034 1.00 10.00 H new ATOM 0 HA ILE A 33 5.334 -3.354 -5.870 1.00 10.00 H new ATOM 0 HB ILE A 33 4.725 -1.108 -5.392 1.00 10.00 H new ATOM 0 HG12 ILE A 33 3.760 -0.639 -2.995 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.052 -1.720 -2.511 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.398 -1.651 -4.483 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.957 -2.868 -5.655 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.028 -3.214 -3.911 1.00 10.00 H new ATOM 0 HD11 ILE A 33 5.814 0.627 -2.477 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.709 -0.298 -3.707 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.397 0.800 -4.198 1.00 10.00 H new ATOM 548 N GLU A 34 7.849 -2.760 -3.947 1.00 10.00 N ATOM 549 CA GLU A 34 9.305 -2.556 -4.055 1.00 10.00 C ATOM 550 C GLU A 34 9.901 -3.367 -5.222 1.00 10.00 C ATOM 551 O GLU A 34 10.771 -2.869 -5.938 1.00 10.00 O ATOM 552 CB GLU A 34 9.992 -2.922 -2.727 1.00 10.00 C ATOM 553 CG GLU A 34 11.488 -2.577 -2.722 1.00 10.00 C ATOM 554 CD GLU A 34 12.189 -3.022 -1.424 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.384 -4.247 -1.227 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.579 -2.150 -0.611 1.00 10.00 O ATOM 0 H GLU A 34 7.547 -3.129 -3.045 1.00 10.00 H new ATOM 0 HA GLU A 34 9.486 -1.502 -4.264 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.499 -2.396 -1.910 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.868 -3.989 -2.540 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.971 -3.054 -3.575 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.610 -1.501 -2.847 1.00 10.00 H new ATOM 563 N SER A 35 9.394 -4.581 -5.472 1.00 10.00 N ATOM 564 CA SER A 35 9.837 -5.430 -6.594 1.00 10.00 C ATOM 565 C SER A 35 9.420 -4.890 -7.973 1.00 10.00 C ATOM 566 O SER A 35 10.052 -5.217 -8.978 1.00 10.00 O ATOM 567 CB SER A 35 9.286 -6.855 -6.440 1.00 10.00 C ATOM 568 OG SER A 35 9.638 -7.416 -5.182 1.00 10.00 O ATOM 0 H SER A 35 8.663 -5.007 -4.902 1.00 10.00 H new ATOM 0 HA SER A 35 10.926 -5.428 -6.553 1.00 10.00 H new ATOM 0 HB2 SER A 35 8.201 -6.840 -6.542 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.673 -7.484 -7.241 1.00 10.00 H new ATOM 0 HG SER A 35 9.271 -8.322 -5.114 1.00 10.00 H new ATOM 574 N GLU A 36 8.363 -4.076 -8.036 1.00 10.00 N ATOM 575 CA GLU A 36 7.786 -3.539 -9.282 1.00 10.00 C ATOM 576 C GLU A 36 8.199 -2.089 -9.590 1.00 10.00 C ATOM 577 O GLU A 36 8.352 -1.725 -10.759 1.00 10.00 O ATOM 578 CB GLU A 36 6.256 -3.624 -9.194 1.00 10.00 C ATOM 579 CG GLU A 36 5.767 -5.080 -9.219 1.00 10.00 C ATOM 580 CD GLU A 36 4.231 -5.166 -9.255 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.629 -4.876 -10.319 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.620 -5.550 -8.230 1.00 10.00 O ATOM 0 H GLU A 36 7.868 -3.761 -7.202 1.00 10.00 H new ATOM 0 HA GLU A 36 8.178 -4.146 -10.098 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.917 -3.142 -8.277 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.812 -3.076 -10.026 1.00 10.00 H new ATOM 0 HG2 GLU A 36 6.180 -5.587 -10.091 1.00 10.00 H new ATOM 0 HG3 GLU A 36 6.140 -5.604 -8.339 1.00 10.00 H new ATOM 589 N LYS A 37 8.394 -1.264 -8.551 1.00 10.00 N ATOM 590 CA LYS A 37 8.695 0.179 -8.642 1.00 10.00 C ATOM 591 C LYS A 37 10.142 0.517 -8.261 1.00 10.00 C ATOM 592 O LYS A 37 10.614 1.613 -8.561 1.00 10.00 O ATOM 593 CB LYS A 37 7.709 0.962 -7.750 1.00 10.00 C ATOM 594 CG LYS A 37 6.215 0.718 -8.024 1.00 10.00 C ATOM 595 CD LYS A 37 5.789 1.202 -9.417 1.00 10.00 C ATOM 596 CE LYS A 37 4.300 0.921 -9.638 1.00 10.00 C ATOM 597 NZ LYS A 37 3.840 1.434 -10.950 1.00 10.00 N ATOM 0 H LYS A 37 8.345 -1.592 -7.586 1.00 10.00 H new ATOM 0 HA LYS A 37 8.577 0.472 -9.685 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.913 0.711 -6.709 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.911 2.027 -7.867 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.000 -0.347 -7.931 1.00 10.00 H new ATOM 0 HG3 LYS A 37 5.621 1.230 -7.267 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.984 2.270 -9.515 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.380 0.698 -10.182 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.119 -0.152 -9.582 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.719 1.384 -8.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 2.880 1.083 -11.143 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 3.831 2.474 -10.933 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.485 1.106 -11.697 1.00 10.00 H new ATOM 611 N GLY A 38 10.848 -0.430 -7.636 1.00 10.00 N ATOM 612 CA GLY A 38 12.258 -0.344 -7.251 1.00 10.00 C ATOM 613 C GLY A 38 12.484 0.313 -5.885 1.00 10.00 C ATOM 614 O GLY A 38 11.875 1.336 -5.556 1.00 10.00 O ATOM 0 H GLY A 38 10.429 -1.322 -7.372 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.684 -1.347 -7.237 1.00 10.00 H new ATOM 0 HA3 GLY A 38 12.799 0.221 -8.010 1.00 10.00 H new ATOM 618 N LYS A 39 13.399 -0.246 -5.079 1.00 10.00 N ATOM 619 CA LYS A 39 13.769 0.293 -3.754 1.00 10.00 C ATOM 620 C LYS A 39 14.419 1.682 -3.810 1.00 10.00 C ATOM 621 O LYS A 39 14.416 2.408 -2.821 1.00 10.00 O ATOM 622 CB LYS A 39 14.616 -0.737 -2.980 1.00 10.00 C ATOM 623 CG LYS A 39 16.099 -0.846 -3.380 1.00 10.00 C ATOM 624 CD LYS A 39 17.008 0.018 -2.493 1.00 10.00 C ATOM 625 CE LYS A 39 18.476 -0.188 -2.885 1.00 10.00 C ATOM 626 NZ LYS A 39 19.390 0.611 -2.029 1.00 10.00 N ATOM 0 H LYS A 39 13.910 -1.093 -5.328 1.00 10.00 H new ATOM 0 HA LYS A 39 12.844 0.457 -3.202 1.00 10.00 H new ATOM 0 HB2 LYS A 39 14.566 -0.492 -1.919 1.00 10.00 H new ATOM 0 HB3 LYS A 39 14.157 -1.718 -3.103 1.00 10.00 H new ATOM 0 HG2 LYS A 39 16.415 -1.887 -3.315 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.216 -0.542 -4.420 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.739 1.069 -2.598 1.00 10.00 H new ATOM 0 HD3 LYS A 39 16.863 -0.245 -1.445 1.00 10.00 H new ATOM 0 HE2 LYS A 39 18.730 -1.245 -2.802 1.00 10.00 H new ATOM 0 HE3 LYS A 39 18.617 0.092 -3.929 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 20.374 0.446 -2.323 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 19.164 1.621 -2.128 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 19.273 0.326 -1.036 1.00 10.00 H new ATOM 640 N ASP A 40 14.935 2.079 -4.971 1.00 10.00 N ATOM 641 CA ASP A 40 15.444 3.428 -5.257 1.00 10.00 C ATOM 642 C ASP A 40 14.355 4.526 -5.255 1.00 10.00 C ATOM 643 O ASP A 40 14.680 5.714 -5.160 1.00 10.00 O ATOM 644 CB ASP A 40 16.187 3.405 -6.599 1.00 10.00 C ATOM 645 CG ASP A 40 15.274 3.050 -7.784 1.00 10.00 C ATOM 646 OD1 ASP A 40 14.903 1.858 -7.912 1.00 10.00 O ATOM 647 OD2 ASP A 40 14.937 3.952 -8.586 1.00 10.00 O ATOM 0 H ASP A 40 15.015 1.451 -5.771 1.00 10.00 H new ATOM 0 HA ASP A 40 16.121 3.694 -4.445 1.00 10.00 H new ATOM 0 HB2 ASP A 40 16.639 4.381 -6.775 1.00 10.00 H new ATOM 0 HB3 ASP A 40 17.001 2.682 -6.545 1.00 10.00 H new ATOM 652 N ALA A 41 13.077 4.134 -5.314 1.00 10.00 N ATOM 653 CA ALA A 41 11.916 5.029 -5.275 1.00 10.00 C ATOM 654 C ALA A 41 10.870 4.654 -4.201 1.00 10.00 C ATOM 655 O ALA A 41 10.139 5.535 -3.743 1.00 10.00 O ATOM 656 CB ALA A 41 11.293 5.061 -6.676 1.00 10.00 C ATOM 0 H ALA A 41 12.814 3.152 -5.393 1.00 10.00 H new ATOM 0 HA ALA A 41 12.263 6.020 -4.983 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.426 5.721 -6.674 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.027 5.429 -7.392 1.00 10.00 H new ATOM 0 HB3 ALA A 41 10.983 4.055 -6.959 1.00 10.00 H new ATOM 662 N PHE A 42 10.819 3.386 -3.768 1.00 10.00 N ATOM 663 CA PHE A 42 9.892 2.868 -2.750 1.00 10.00 C ATOM 664 C PHE A 42 10.583 1.859 -1.801 1.00 10.00 C ATOM 665 O PHE A 42 10.244 0.671 -1.803 1.00 10.00 O ATOM 666 CB PHE A 42 8.647 2.275 -3.440 1.00 10.00 C ATOM 667 CG PHE A 42 7.796 3.291 -4.179 1.00 10.00 C ATOM 668 CD1 PHE A 42 6.769 3.979 -3.503 1.00 10.00 C ATOM 669 CD2 PHE A 42 8.049 3.575 -5.533 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.009 4.952 -4.177 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.291 4.547 -6.208 1.00 10.00 C ATOM 672 CZ PHE A 42 6.275 5.237 -5.527 1.00 10.00 C ATOM 0 H PHE A 42 11.445 2.666 -4.130 1.00 10.00 H new ATOM 0 HA PHE A 42 9.568 3.693 -2.115 1.00 10.00 H new ATOM 0 HB2 PHE A 42 8.968 1.507 -4.144 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.031 1.781 -2.689 1.00 10.00 H new ATOM 0 HD1 PHE A 42 6.565 3.759 -2.466 1.00 10.00 H new ATOM 0 HD2 PHE A 42 8.830 3.043 -6.057 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.222 5.479 -3.658 1.00 10.00 H new ATOM 0 HE2 PHE A 42 7.489 4.763 -7.247 1.00 10.00 H new ATOM 0 HZ PHE A 42 5.696 5.989 -6.043 1.00 10.00 H new ATOM 682 N PRO A 43 11.583 2.285 -1.000 1.00 10.00 N ATOM 683 CA PRO A 43 12.327 1.395 -0.105 1.00 10.00 C ATOM 684 C PRO A 43 11.445 0.899 1.049 1.00 10.00 C ATOM 685 O PRO A 43 10.858 1.699 1.775 1.00 10.00 O ATOM 686 CB PRO A 43 13.498 2.233 0.423 1.00 10.00 C ATOM 687 CG PRO A 43 12.981 3.670 0.354 1.00 10.00 C ATOM 688 CD PRO A 43 12.043 3.661 -0.853 1.00 10.00 C ATOM 0 HA PRO A 43 12.670 0.502 -0.627 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.763 1.952 1.442 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.392 2.100 -0.187 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.456 3.951 1.267 1.00 10.00 H new ATOM 0 HG3 PRO A 43 13.795 4.383 0.223 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.203 4.338 -0.698 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.561 3.996 -1.751 1.00 10.00 H new ATOM 696 N VAL A 44 11.388 -0.414 1.288 1.00 10.00 N ATOM 697 CA VAL A 44 10.664 -1.004 2.442 1.00 10.00 C ATOM 698 C VAL A 44 11.196 -0.483 3.786 1.00 10.00 C ATOM 699 O VAL A 44 10.429 -0.345 4.741 1.00 10.00 O ATOM 700 CB VAL A 44 10.680 -2.544 2.358 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.172 -3.267 3.616 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.757 -2.985 1.217 1.00 10.00 C ATOM 0 H VAL A 44 11.840 -1.108 0.692 1.00 10.00 H new ATOM 0 HA VAL A 44 9.624 -0.681 2.389 1.00 10.00 H new ATOM 0 HB VAL A 44 11.727 -2.811 2.216 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.221 -4.345 3.461 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.794 -2.994 4.469 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.140 -2.975 3.811 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.759 -4.073 1.147 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.743 -2.636 1.414 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.111 -2.560 0.278 1.00 10.00 H new ATOM 712 N ALA A 45 12.477 -0.109 3.848 1.00 10.00 N ATOM 713 CA ALA A 45 13.118 0.522 5.005 1.00 10.00 C ATOM 714 C ALA A 45 12.685 1.986 5.284 1.00 10.00 C ATOM 715 O ALA A 45 13.066 2.532 6.324 1.00 10.00 O ATOM 716 CB ALA A 45 14.633 0.435 4.787 1.00 10.00 C ATOM 0 H ALA A 45 13.119 -0.242 3.066 1.00 10.00 H new ATOM 0 HA ALA A 45 12.796 -0.018 5.895 1.00 10.00 H new ATOM 0 HB1 ALA A 45 15.149 0.896 5.630 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.930 -0.611 4.707 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.899 0.958 3.869 1.00 10.00 H new ATOM 722 N GLY A 46 11.924 2.634 4.389 1.00 10.00 N ATOM 723 CA GLY A 46 11.603 4.072 4.484 1.00 10.00 C ATOM 724 C GLY A 46 10.253 4.525 3.910 1.00 10.00 C ATOM 725 O GLY A 46 9.913 5.704 4.058 1.00 10.00 O ATOM 0 H GLY A 46 11.511 2.177 3.576 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.637 4.358 5.535 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.391 4.629 3.977 1.00 10.00 H new ATOM 729 N GLN A 47 9.468 3.644 3.272 1.00 10.00 N ATOM 730 CA GLN A 47 8.120 3.982 2.794 1.00 10.00 C ATOM 731 C GLN A 47 7.033 3.832 3.881 1.00 10.00 C ATOM 732 O GLN A 47 7.171 3.045 4.823 1.00 10.00 O ATOM 733 CB GLN A 47 7.772 3.216 1.501 1.00 10.00 C ATOM 734 CG GLN A 47 7.459 1.725 1.687 1.00 10.00 C ATOM 735 CD GLN A 47 6.885 1.101 0.416 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.732 1.305 0.069 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.631 0.288 -0.296 1.00 10.00 N ATOM 0 H GLN A 47 9.748 2.683 3.074 1.00 10.00 H new ATOM 0 HA GLN A 47 8.136 5.044 2.548 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.912 3.696 1.034 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.606 3.311 0.806 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.368 1.196 1.973 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.749 1.602 2.505 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.596 0.107 -0.019 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.245 -0.163 -1.126 1.00 10.00 H new ATOM 746 N LYS A 48 5.930 4.569 3.713 1.00 10.00 N ATOM 747 CA LYS A 48 4.738 4.620 4.580 1.00 10.00 C ATOM 748 C LYS A 48 3.462 4.701 3.723 1.00 10.00 C ATOM 749 O LYS A 48 3.522 5.121 2.570 1.00 10.00 O ATOM 750 CB LYS A 48 4.889 5.837 5.517 1.00 10.00 C ATOM 751 CG LYS A 48 3.797 6.023 6.587 1.00 10.00 C ATOM 752 CD LYS A 48 3.757 4.887 7.624 1.00 10.00 C ATOM 753 CE LYS A 48 2.678 5.147 8.685 1.00 10.00 C ATOM 754 NZ LYS A 48 1.319 4.747 8.232 1.00 10.00 N ATOM 0 H LYS A 48 5.836 5.192 2.911 1.00 10.00 H new ATOM 0 HA LYS A 48 4.652 3.716 5.183 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.852 5.760 6.022 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.922 6.737 4.904 1.00 10.00 H new ATOM 0 HG2 LYS A 48 3.961 6.969 7.102 1.00 10.00 H new ATOM 0 HG3 LYS A 48 2.826 6.091 6.096 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.558 3.940 7.123 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.731 4.795 8.105 1.00 10.00 H new ATOM 0 HE2 LYS A 48 2.929 4.600 9.594 1.00 10.00 H new ATOM 0 HE3 LYS A 48 2.674 6.206 8.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 0.611 5.376 8.661 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 1.263 4.819 7.196 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 1.131 3.766 8.521 1.00 10.00 H new ATOM 768 N LEU A 49 2.312 4.314 4.280 1.00 10.00 N ATOM 769 CA LEU A 49 1.007 4.314 3.605 1.00 10.00 C ATOM 770 C LEU A 49 -0.087 4.980 4.465 1.00 10.00 C ATOM 771 O LEU A 49 -0.003 5.006 5.698 1.00 10.00 O ATOM 772 CB LEU A 49 0.601 2.869 3.233 1.00 10.00 C ATOM 773 CG LEU A 49 1.463 2.229 2.127 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.684 1.469 2.655 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.646 1.206 1.339 1.00 10.00 C ATOM 0 H LEU A 49 2.259 3.981 5.243 1.00 10.00 H new ATOM 0 HA LEU A 49 1.105 4.904 2.694 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.658 2.247 4.126 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.440 2.869 2.911 1.00 10.00 H new ATOM 0 HG LEU A 49 1.795 3.068 1.516 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.240 1.047 1.818 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.326 2.153 3.210 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.355 0.665 3.314 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.269 0.763 0.562 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.295 0.424 2.012 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.210 1.700 0.880 1.00 10.00 H new ATOM 787 N ILE A 50 -1.132 5.463 3.791 1.00 10.00 N ATOM 788 CA ILE A 50 -2.372 6.053 4.332 1.00 10.00 C ATOM 789 C ILE A 50 -3.556 5.581 3.477 1.00 10.00 C ATOM 790 O ILE A 50 -3.458 5.564 2.252 1.00 10.00 O ATOM 791 CB ILE A 50 -2.280 7.607 4.304 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.417 8.183 5.448 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.655 8.306 4.323 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.991 7.948 6.852 1.00 10.00 C ATOM 0 H ILE A 50 -1.140 5.454 2.771 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.512 5.734 5.365 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.796 7.820 3.351 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.423 7.740 5.396 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.297 9.255 5.292 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.514 9.387 4.302 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.232 7.998 3.451 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.192 8.028 5.230 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.324 8.384 7.596 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.973 8.416 6.927 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.085 6.877 7.032 1.00 10.00 H new ATOM 806 N TYR A 51 -4.702 5.291 4.096 1.00 10.00 N ATOM 807 CA TYR A 51 -5.960 4.996 3.393 1.00 10.00 C ATOM 808 C TYR A 51 -6.989 6.103 3.659 1.00 10.00 C ATOM 809 O TYR A 51 -7.790 6.020 4.589 1.00 10.00 O ATOM 810 CB TYR A 51 -6.466 3.590 3.743 1.00 10.00 C ATOM 811 CG TYR A 51 -7.785 3.206 3.092 1.00 10.00 C ATOM 812 CD1 TYR A 51 -7.944 3.309 1.697 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.855 2.740 3.880 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.161 2.945 1.093 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.080 2.385 3.282 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.237 2.495 1.887 1.00 10.00 C ATOM 817 OH TYR A 51 -11.417 2.164 1.294 1.00 10.00 O ATOM 0 H TYR A 51 -4.788 5.253 5.112 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.783 4.989 2.318 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.708 2.863 3.451 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.577 3.518 4.825 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.128 3.669 1.088 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.736 2.654 4.950 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.272 3.010 0.021 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.897 2.029 3.892 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.056 1.872 1.977 1.00 10.00 H new ATOM 827 N ALA A 52 -6.893 7.180 2.871 1.00 10.00 N ATOM 828 CA ALA A 52 -7.792 8.346 2.857 1.00 10.00 C ATOM 829 C ALA A 52 -8.095 8.985 4.240 1.00 10.00 C ATOM 830 O ALA A 52 -9.152 9.593 4.428 1.00 10.00 O ATOM 831 CB ALA A 52 -9.048 7.956 2.060 1.00 10.00 C ATOM 0 H ALA A 52 -6.143 7.269 2.185 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.272 9.167 2.363 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.737 8.800 2.030 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.764 7.684 1.044 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.535 7.107 2.540 1.00 10.00 H new ATOM 837 N GLY A 53 -7.185 8.838 5.214 1.00 10.00 N ATOM 838 CA GLY A 53 -7.346 9.321 6.595 1.00 10.00 C ATOM 839 C GLY A 53 -7.086 8.269 7.688 1.00 10.00 C ATOM 840 O GLY A 53 -7.117 8.617 8.871 1.00 10.00 O ATOM 0 H GLY A 53 -6.293 8.368 5.060 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.668 10.160 6.751 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -8.360 9.703 6.714 1.00 10.00 H new ATOM 844 N LYS A 54 -6.815 7.006 7.321 1.00 10.00 N ATOM 845 CA LYS A 54 -6.481 5.912 8.253 1.00 10.00 C ATOM 846 C LYS A 54 -4.985 5.618 8.198 1.00 10.00 C ATOM 847 O LYS A 54 -4.385 5.647 7.121 1.00 10.00 O ATOM 848 CB LYS A 54 -7.272 4.629 7.936 1.00 10.00 C ATOM 849 CG LYS A 54 -8.789 4.837 7.844 1.00 10.00 C ATOM 850 CD LYS A 54 -9.528 3.491 7.823 1.00 10.00 C ATOM 851 CE LYS A 54 -10.977 3.693 7.363 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.716 2.405 7.308 1.00 10.00 N ATOM 0 H LYS A 54 -6.822 6.708 6.345 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.757 6.238 9.256 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.914 4.218 6.992 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.064 3.886 8.706 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -9.131 5.430 8.692 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -9.028 5.402 6.943 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -9.019 2.798 7.153 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.513 3.043 8.817 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.484 4.376 8.045 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.985 4.161 6.378 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.601 2.535 6.777 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -11.130 1.688 6.834 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.936 2.089 8.274 1.00 10.00 H new ATOM 866 N ILE A 55 -4.400 5.296 9.351 1.00 10.00 N ATOM 867 CA ILE A 55 -2.950 5.188 9.534 1.00 10.00 C ATOM 868 C ILE A 55 -2.564 3.706 9.468 1.00 10.00 C ATOM 869 O ILE A 55 -2.582 2.984 10.468 1.00 10.00 O ATOM 870 CB ILE A 55 -2.479 5.895 10.837 1.00 10.00 C ATOM 871 CG1 ILE A 55 -2.825 7.407 10.908 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.944 5.799 10.948 1.00 10.00 C ATOM 873 CD1 ILE A 55 -4.272 7.746 11.293 1.00 10.00 C ATOM 0 H ILE A 55 -4.929 5.099 10.201 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.430 5.713 8.733 1.00 10.00 H new ATOM 0 HB ILE A 55 -3.005 5.383 11.643 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -2.157 7.879 11.629 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -2.613 7.854 9.937 1.00 10.00 H new ATOM 0 HG21 ILE A 55 -0.614 6.294 11.861 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.646 4.751 10.976 1.00 10.00 H new ATOM 0 HG23 ILE A 55 -0.486 6.284 10.086 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -4.400 8.828 11.311 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -4.954 7.313 10.562 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -4.491 7.338 12.280 1.00 10.00 H new ATOM 885 N LEU A 56 -2.264 3.254 8.249 1.00 10.00 N ATOM 886 CA LEU A 56 -1.909 1.868 7.917 1.00 10.00 C ATOM 887 C LEU A 56 -0.630 1.399 8.631 1.00 10.00 C ATOM 888 O LEU A 56 0.350 2.144 8.723 1.00 10.00 O ATOM 889 CB LEU A 56 -1.789 1.754 6.384 1.00 10.00 C ATOM 890 CG LEU A 56 -3.073 1.270 5.685 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.306 2.111 6.017 1.00 10.00 C ATOM 892 CD2 LEU A 56 -2.859 1.312 4.170 1.00 10.00 C ATOM 0 H LEU A 56 -2.261 3.865 7.432 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.695 1.203 8.275 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.513 2.728 5.979 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.977 1.067 6.144 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.262 0.259 6.046 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.172 1.711 5.489 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.489 2.080 7.091 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -4.137 3.142 5.708 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -3.763 0.971 3.665 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.635 2.333 3.862 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.026 0.662 3.902 1.00 10.00 H new ATOM 904 N ASN A 57 -0.641 0.150 9.104 1.00 10.00 N ATOM 905 CA ASN A 57 0.390 -0.449 9.954 1.00 10.00 C ATOM 906 C ASN A 57 0.863 -1.823 9.435 1.00 10.00 C ATOM 907 O ASN A 57 0.057 -2.703 9.132 1.00 10.00 O ATOM 908 CB ASN A 57 -0.206 -0.564 11.368 1.00 10.00 C ATOM 909 CG ASN A 57 0.614 -1.462 12.271 1.00 10.00 C ATOM 910 OD1 ASN A 57 0.239 -2.591 12.536 1.00 10.00 O ATOM 911 ND2 ASN A 57 1.781 -1.058 12.712 1.00 10.00 N ATOM 0 H ASN A 57 -1.401 -0.498 8.896 1.00 10.00 H new ATOM 0 HA ASN A 57 1.279 0.181 9.952 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.273 0.429 11.812 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.222 -0.952 11.300 1.00 10.00 H new ATOM 0 HD21 ASN A 57 2.361 -1.686 13.268 1.00 10.00 H new ATOM 0 HD22 ASN A 57 2.109 -0.116 12.498 1.00 10.00 H new ATOM 918 N ASP A 58 2.182 -2.022 9.404 1.00 10.00 N ATOM 919 CA ASP A 58 2.878 -3.220 8.910 1.00 10.00 C ATOM 920 C ASP A 58 2.522 -4.542 9.626 1.00 10.00 C ATOM 921 O ASP A 58 2.775 -5.615 9.081 1.00 10.00 O ATOM 922 CB ASP A 58 4.395 -2.992 9.037 1.00 10.00 C ATOM 923 CG ASP A 58 4.902 -1.789 8.231 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.689 -0.632 8.667 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.545 -1.999 7.175 1.00 10.00 O ATOM 0 H ASP A 58 2.834 -1.313 9.741 1.00 10.00 H new ATOM 0 HA ASP A 58 2.548 -3.345 7.879 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.646 -2.847 10.088 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.918 -3.889 8.705 1.00 10.00 H new ATOM 930 N ASP A 59 1.917 -4.488 10.817 1.00 10.00 N ATOM 931 CA ASP A 59 1.593 -5.645 11.664 1.00 10.00 C ATOM 932 C ASP A 59 0.085 -5.768 11.988 1.00 10.00 C ATOM 933 O ASP A 59 -0.311 -6.522 12.878 1.00 10.00 O ATOM 934 CB ASP A 59 2.524 -5.677 12.893 1.00 10.00 C ATOM 935 CG ASP A 59 2.359 -4.499 13.872 1.00 10.00 C ATOM 936 OD1 ASP A 59 3.015 -3.445 13.673 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.646 -4.651 14.894 1.00 10.00 O ATOM 0 H ASP A 59 1.628 -3.604 11.235 1.00 10.00 H new ATOM 0 HA ASP A 59 1.792 -6.553 11.095 1.00 10.00 H new ATOM 0 HB2 ASP A 59 2.351 -6.606 13.436 1.00 10.00 H new ATOM 0 HB3 ASP A 59 3.557 -5.698 12.546 1.00 10.00 H new ATOM 942 N THR A 60 -0.766 -5.087 11.206 1.00 10.00 N ATOM 943 CA THR A 60 -2.238 -5.123 11.284 1.00 10.00 C ATOM 944 C THR A 60 -2.818 -5.555 9.935 1.00 10.00 C ATOM 945 O THR A 60 -2.428 -5.042 8.884 1.00 10.00 O ATOM 946 CB THR A 60 -2.794 -3.748 11.695 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.361 -3.421 12.996 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.320 -3.698 11.730 1.00 10.00 C ATOM 0 H THR A 60 -0.434 -4.467 10.467 1.00 10.00 H new ATOM 0 HA THR A 60 -2.532 -5.847 12.044 1.00 10.00 H new ATOM 0 HB THR A 60 -2.427 -3.051 10.942 1.00 10.00 H new ATOM 0 HG1 THR A 60 -1.438 -3.093 12.961 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.645 -2.701 12.027 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.714 -3.928 10.740 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.692 -4.429 12.448 1.00 10.00 H new ATOM 956 N ALA A 61 -3.732 -6.528 9.959 1.00 10.00 N ATOM 957 CA ALA A 61 -4.363 -7.095 8.767 1.00 10.00 C ATOM 958 C ALA A 61 -5.246 -6.084 8.014 1.00 10.00 C ATOM 959 O ALA A 61 -5.957 -5.274 8.614 1.00 10.00 O ATOM 960 CB ALA A 61 -5.150 -8.340 9.174 1.00 10.00 C ATOM 0 H ALA A 61 -4.060 -6.952 10.827 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.579 -7.369 8.061 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.626 -8.773 8.294 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.472 -9.070 9.617 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.914 -8.066 9.902 1.00 10.00 H new ATOM 966 N LEU A 62 -5.230 -6.148 6.683 1.00 10.00 N ATOM 967 CA LEU A 62 -5.823 -5.138 5.800 1.00 10.00 C ATOM 968 C LEU A 62 -7.344 -4.991 5.932 1.00 10.00 C ATOM 969 O LEU A 62 -7.860 -3.876 5.821 1.00 10.00 O ATOM 970 CB LEU A 62 -5.411 -5.462 4.356 1.00 10.00 C ATOM 971 CG LEU A 62 -3.916 -5.187 4.118 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.438 -5.894 2.858 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.672 -3.685 3.958 1.00 10.00 C ATOM 0 H LEU A 62 -4.796 -6.919 6.175 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.437 -4.165 6.105 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.628 -6.508 4.141 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.006 -4.865 3.665 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.364 -5.562 4.980 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.379 -5.688 2.705 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.588 -6.968 2.965 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -4.005 -5.532 2.000 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.610 -3.505 3.790 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -4.242 -3.312 3.107 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.990 -3.166 4.863 1.00 10.00 H new ATOM 985 N LYS A 63 -8.071 -6.073 6.236 1.00 10.00 N ATOM 986 CA LYS A 63 -9.522 -6.009 6.494 1.00 10.00 C ATOM 987 C LYS A 63 -9.919 -5.221 7.757 1.00 10.00 C ATOM 988 O LYS A 63 -11.069 -4.800 7.854 1.00 10.00 O ATOM 989 CB LYS A 63 -10.159 -7.407 6.417 1.00 10.00 C ATOM 990 CG LYS A 63 -10.141 -8.269 7.690 1.00 10.00 C ATOM 991 CD LYS A 63 -8.750 -8.492 8.305 1.00 10.00 C ATOM 992 CE LYS A 63 -8.733 -9.647 9.321 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.717 -9.470 10.419 1.00 10.00 N ATOM 0 H LYS A 63 -7.678 -7.011 6.311 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.945 -5.411 5.687 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.197 -7.286 6.108 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.654 -7.963 5.627 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.781 -7.800 8.437 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.579 -9.240 7.459 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -8.034 -8.701 7.510 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.422 -7.576 8.796 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.941 -10.583 8.802 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.733 -9.734 9.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.455 -10.077 11.222 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -9.722 -8.476 10.724 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -10.665 -9.733 10.081 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.990 -4.939 8.678 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.226 -4.005 9.796 1.00 10.00 C ATOM 1009 C GLU A 64 -9.352 -2.550 9.310 1.00 10.00 C ATOM 1010 O GLU A 64 -10.058 -1.744 9.919 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.090 -4.079 10.832 1.00 10.00 C ATOM 1012 CG GLU A 64 -7.856 -5.469 11.446 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.105 -6.010 12.164 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.518 -5.440 13.203 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -9.672 -7.027 11.696 1.00 10.00 O ATOM 0 H GLU A 64 -8.055 -5.348 8.674 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.166 -4.309 10.257 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.166 -3.748 10.359 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.306 -3.376 11.636 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.561 -6.165 10.661 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.028 -5.416 12.153 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.704 -2.224 8.183 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.779 -0.914 7.519 1.00 10.00 C ATOM 1024 C TYR A 65 -9.934 -0.809 6.503 1.00 10.00 C ATOM 1025 O TYR A 65 -10.239 0.294 6.040 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.417 -0.590 6.881 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.313 -0.405 7.907 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -6.336 0.725 8.748 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.292 -1.367 8.061 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -5.357 0.891 9.744 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.311 -1.208 9.055 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.351 -0.082 9.908 1.00 10.00 C ATOM 1033 OH TYR A 65 -3.410 0.069 10.872 1.00 10.00 O ATOM 0 H TYR A 65 -8.097 -2.882 7.694 1.00 10.00 H new ATOM 0 HA TYR A 65 -9.008 -0.167 8.279 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.141 -1.394 6.198 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.508 0.318 6.284 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -7.110 1.468 8.627 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.264 -2.230 7.412 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -5.376 1.762 10.382 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.529 -1.944 9.167 1.00 10.00 H new ATOM 0 HH TYR A 65 -3.070 0.988 10.856 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.619 -1.927 6.206 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.763 -2.050 5.278 1.00 10.00 C ATOM 1045 C LYS A 66 -11.498 -1.413 3.901 1.00 10.00 C ATOM 1046 O LYS A 66 -12.328 -0.674 3.364 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.060 -1.561 5.956 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.394 -2.353 7.234 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.726 -1.896 7.842 1.00 10.00 C ATOM 1050 CE LYS A 66 -15.025 -2.704 9.112 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.313 -2.297 9.729 1.00 10.00 N ATOM 0 H LYS A 66 -10.377 -2.822 6.630 1.00 10.00 H new ATOM 0 HA LYS A 66 -11.900 -3.108 5.053 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.960 -0.504 6.203 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.888 -1.647 5.253 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.444 -3.417 7.002 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.595 -2.223 7.964 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.682 -0.833 8.079 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.530 -2.028 7.118 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.057 -3.766 8.869 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.217 -2.566 9.830 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.482 -2.864 10.584 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.273 -1.289 9.983 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.087 -2.453 9.052 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.307 -1.672 3.354 1.00 10.00 N ATOM 1066 CA ILE A 67 -9.862 -1.152 2.049 1.00 10.00 C ATOM 1067 C ILE A 67 -10.710 -1.744 0.908 1.00 10.00 C ATOM 1068 O ILE A 67 -11.118 -2.907 0.963 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.345 -1.376 1.847 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.586 -0.780 3.057 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -7.879 -0.746 0.517 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.068 -0.709 2.904 1.00 10.00 C ATOM 0 H ILE A 67 -9.609 -2.259 3.811 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.019 -0.073 2.032 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.131 -2.443 1.789 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.964 0.226 3.242 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.818 -1.375 3.940 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -6.809 -0.913 0.391 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.418 -1.205 -0.312 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.080 0.325 0.532 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.631 -0.277 3.804 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.670 -1.713 2.753 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.818 -0.087 2.045 1.00 10.00 H new ATOM 1084 N ASP A 68 -10.963 -0.950 -0.135 1.00 10.00 N ATOM 1085 CA ASP A 68 -11.775 -1.328 -1.299 1.00 10.00 C ATOM 1086 C ASP A 68 -11.179 -0.792 -2.615 1.00 10.00 C ATOM 1087 O ASP A 68 -10.662 0.325 -2.662 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.209 -0.821 -1.075 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.197 -1.468 -2.055 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.203 -1.069 -3.240 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -14.954 -2.382 -1.648 1.00 10.00 O ATOM 0 H ASP A 68 -10.599 0.001 -0.197 1.00 10.00 H new ATOM 0 HA ASP A 68 -11.783 -2.414 -1.397 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.516 -1.037 -0.052 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.235 0.262 -1.193 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.270 -1.579 -3.693 1.00 10.00 N ATOM 1097 CA GLU A 69 -10.780 -1.253 -5.048 1.00 10.00 C ATOM 1098 C GLU A 69 -11.392 0.039 -5.637 1.00 10.00 C ATOM 1099 O GLU A 69 -10.819 0.661 -6.537 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.080 -2.449 -5.975 1.00 10.00 C ATOM 1101 CG GLU A 69 -10.209 -2.470 -7.237 1.00 10.00 C ATOM 1102 CD GLU A 69 -10.713 -3.481 -8.286 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -10.921 -4.675 -7.964 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -10.855 -3.084 -9.468 1.00 10.00 O ATOM 0 H GLU A 69 -11.705 -2.501 -3.649 1.00 10.00 H new ATOM 0 HA GLU A 69 -9.709 -1.067 -4.973 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -10.929 -3.376 -5.422 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -12.130 -2.420 -6.267 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -10.190 -1.473 -7.678 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -9.183 -2.717 -6.963 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.544 0.478 -5.110 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.275 1.681 -5.563 1.00 10.00 C ATOM 1113 C LYS A 70 -12.764 2.965 -4.899 1.00 10.00 C ATOM 1114 O LYS A 70 -13.121 4.067 -5.322 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.766 1.509 -5.277 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.360 0.353 -6.094 1.00 10.00 C ATOM 1117 CD LYS A 70 -16.818 0.177 -5.680 1.00 10.00 C ATOM 1118 CE LYS A 70 -17.476 -1.054 -6.322 1.00 10.00 C ATOM 1119 NZ LYS A 70 -17.660 -0.901 -7.790 1.00 10.00 N ATOM 0 H LYS A 70 -13.008 -0.001 -4.339 1.00 10.00 H new ATOM 0 HA LYS A 70 -13.104 1.783 -6.635 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.915 1.320 -4.214 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -15.293 2.433 -5.514 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.291 0.566 -7.161 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -14.801 -0.565 -5.916 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -16.875 0.089 -4.595 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -17.380 1.069 -5.957 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -16.863 -1.934 -6.126 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -18.445 -1.230 -5.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -18.107 -1.757 -8.175 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -18.267 -0.078 -7.980 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -16.735 -0.760 -8.243 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.901 2.822 -3.894 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.150 3.901 -3.244 1.00 10.00 C ATOM 1135 C ASN A 71 -9.628 3.695 -3.447 1.00 10.00 C ATOM 1136 O ASN A 71 -9.205 2.720 -4.076 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.609 3.938 -1.771 1.00 10.00 C ATOM 1138 CG ASN A 71 -11.211 5.194 -1.006 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -10.775 6.192 -1.559 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -11.361 5.180 0.295 1.00 10.00 N ATOM 0 H ASN A 71 -11.695 1.908 -3.490 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.350 4.878 -3.684 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -12.694 3.841 -1.741 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.197 3.070 -1.255 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -11.114 6.002 0.846 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -11.725 4.347 0.757 1.00 10.00 H new ATOM 1147 N PHE A 72 -8.787 4.608 -2.952 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.330 4.587 -3.152 1.00 10.00 C ATOM 1149 C PHE A 72 -6.524 4.899 -1.880 1.00 10.00 C ATOM 1150 O PHE A 72 -7.068 5.296 -0.847 1.00 10.00 O ATOM 1151 CB PHE A 72 -6.928 5.465 -4.346 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.163 6.954 -4.183 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.205 7.756 -3.533 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.323 7.548 -4.718 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -6.403 9.145 -3.422 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.520 8.936 -4.607 1.00 10.00 C ATOM 1157 CZ PHE A 72 -7.560 9.735 -3.958 1.00 10.00 C ATOM 0 H PHE A 72 -9.103 5.398 -2.390 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.063 3.558 -3.394 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -5.869 5.304 -4.550 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.477 5.124 -5.224 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -5.316 7.304 -3.119 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -9.062 6.936 -5.214 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -5.665 9.757 -2.925 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.409 9.389 -5.020 1.00 10.00 H new ATOM 0 HZ PHE A 72 -7.713 10.801 -3.872 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.215 4.652 -1.952 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.280 4.489 -0.827 1.00 10.00 C ATOM 1169 C VAL A 73 -3.019 5.258 -1.191 1.00 10.00 C ATOM 1170 O VAL A 73 -2.438 5.011 -2.248 1.00 10.00 O ATOM 1171 CB VAL A 73 -3.932 2.994 -0.615 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.790 2.769 0.387 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.114 2.159 -0.118 1.00 10.00 C ATOM 0 H VAL A 73 -4.746 4.553 -2.852 1.00 10.00 H new ATOM 0 HA VAL A 73 -4.725 4.860 0.096 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.631 2.671 -1.612 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.599 1.701 0.487 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -1.889 3.267 0.029 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -3.071 3.180 1.357 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.800 1.123 0.009 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.461 2.552 0.837 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -5.924 2.206 -0.846 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.584 6.187 -0.343 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.492 7.120 -0.654 1.00 10.00 C ATOM 1185 C VAL A 74 -0.199 6.618 -0.017 1.00 10.00 C ATOM 1186 O VAL A 74 -0.104 6.470 1.202 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.817 8.559 -0.207 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.715 9.526 -0.662 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.138 9.047 -0.821 1.00 10.00 C ATOM 0 H VAL A 74 -2.979 6.318 0.588 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.366 7.156 -1.736 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.893 8.543 0.880 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.961 10.537 -0.338 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.236 9.226 -0.223 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.636 9.503 -1.749 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.340 10.065 -0.487 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.062 9.030 -1.908 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.950 8.393 -0.504 1.00 10.00 H new ATOM 1199 N VAL A 75 0.792 6.345 -0.863 1.00 10.00 N ATOM 1200 CA VAL A 75 2.122 5.836 -0.512 1.00 10.00 C ATOM 1201 C VAL A 75 3.120 6.999 -0.502 1.00 10.00 C ATOM 1202 O VAL A 75 3.122 7.843 -1.401 1.00 10.00 O ATOM 1203 CB VAL A 75 2.572 4.751 -1.516 1.00 10.00 C ATOM 1204 CG1 VAL A 75 3.849 4.049 -1.034 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.501 3.674 -1.758 1.00 10.00 C ATOM 0 H VAL A 75 0.686 6.479 -1.868 1.00 10.00 H new ATOM 0 HA VAL A 75 2.082 5.383 0.479 1.00 10.00 H new ATOM 0 HB VAL A 75 2.753 5.280 -2.452 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.143 3.290 -1.759 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.650 4.781 -0.930 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.662 3.576 -0.070 1.00 10.00 H new ATOM 0 HG21 VAL A 75 1.877 2.941 -2.472 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.266 3.177 -0.817 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.600 4.140 -2.157 1.00 10.00 H new ATOM 1215 N MET A 76 3.970 7.039 0.523 1.00 10.00 N ATOM 1216 CA MET A 76 4.901 8.130 0.844 1.00 10.00 C ATOM 1217 C MET A 76 6.274 7.563 1.239 1.00 10.00 C ATOM 1218 O MET A 76 6.372 6.393 1.607 1.00 10.00 O ATOM 1219 CB MET A 76 4.328 8.967 2.004 1.00 10.00 C ATOM 1220 CG MET A 76 2.935 9.545 1.716 1.00 10.00 C ATOM 1221 SD MET A 76 2.313 10.633 3.026 1.00 10.00 S ATOM 1222 CE MET A 76 0.658 10.981 2.372 1.00 10.00 C ATOM 0 H MET A 76 4.034 6.271 1.191 1.00 10.00 H new ATOM 0 HA MET A 76 5.026 8.761 -0.036 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.277 8.346 2.898 1.00 10.00 H new ATOM 0 HB3 MET A 76 5.013 9.786 2.223 1.00 10.00 H new ATOM 0 HG2 MET A 76 2.969 10.101 0.779 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.233 8.724 1.574 1.00 10.00 H new ATOM 0 HE1 MET A 76 0.128 11.643 3.057 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.745 11.462 1.398 1.00 10.00 H new ATOM 0 HE3 MET A 76 0.104 10.048 2.268 1.00 10.00 H new ATOM 1232 N VAL A 77 7.337 8.371 1.184 1.00 10.00 N ATOM 1233 CA VAL A 77 8.713 7.971 1.558 1.00 10.00 C ATOM 1234 C VAL A 77 9.390 9.089 2.357 1.00 10.00 C ATOM 1235 O VAL A 77 9.224 10.270 2.040 1.00 10.00 O ATOM 1236 CB VAL A 77 9.554 7.610 0.313 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.964 7.123 0.683 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.904 6.491 -0.515 1.00 10.00 C ATOM 0 H VAL A 77 7.273 9.341 0.874 1.00 10.00 H new ATOM 0 HA VAL A 77 8.647 7.080 2.182 1.00 10.00 H new ATOM 0 HB VAL A 77 9.611 8.533 -0.264 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.516 6.882 -0.226 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.488 7.908 1.228 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.889 6.234 1.309 1.00 10.00 H new ATOM 0 HG21 VAL A 77 9.528 6.269 -1.380 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.803 5.596 0.099 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.919 6.813 -0.852 1.00 10.00 H new ATOM 1248 N THR A 78 10.158 8.725 3.389 1.00 10.00 N ATOM 1249 CA THR A 78 10.895 9.666 4.252 1.00 10.00 C ATOM 1250 C THR A 78 12.293 9.153 4.634 1.00 10.00 C ATOM 1251 O THR A 78 12.526 7.943 4.715 1.00 10.00 O ATOM 1252 CB THR A 78 10.058 10.025 5.494 1.00 10.00 C ATOM 1253 OG1 THR A 78 10.682 11.078 6.199 1.00 10.00 O ATOM 1254 CG2 THR A 78 9.839 8.864 6.468 1.00 10.00 C ATOM 0 H THR A 78 10.290 7.750 3.657 1.00 10.00 H new ATOM 0 HA THR A 78 11.060 10.575 3.674 1.00 10.00 H new ATOM 0 HB THR A 78 9.078 10.311 5.111 1.00 10.00 H new ATOM 0 HG1 THR A 78 10.147 11.306 6.988 1.00 10.00 H new ATOM 0 HG21 THR A 78 9.240 9.206 7.312 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.318 8.054 5.958 1.00 10.00 H new ATOM 0 HG23 THR A 78 10.803 8.505 6.828 1.00 10.00 H new ATOM 1262 N LYS A 79 13.233 10.082 4.859 1.00 10.00 N ATOM 1263 CA LYS A 79 14.630 9.843 5.254 1.00 10.00 C ATOM 1264 C LYS A 79 15.107 10.967 6.199 1.00 10.00 C ATOM 1265 O LYS A 79 14.707 12.115 5.982 1.00 10.00 O ATOM 1266 CB LYS A 79 15.456 9.787 3.957 1.00 10.00 C ATOM 1267 CG LYS A 79 16.919 9.378 4.166 1.00 10.00 C ATOM 1268 CD LYS A 79 17.623 9.290 2.806 1.00 10.00 C ATOM 1269 CE LYS A 79 19.117 8.947 2.926 1.00 10.00 C ATOM 1270 NZ LYS A 79 19.347 7.548 3.379 1.00 10.00 N ATOM 0 H LYS A 79 13.028 11.077 4.765 1.00 10.00 H new ATOM 0 HA LYS A 79 14.744 8.907 5.801 1.00 10.00 H new ATOM 0 HB2 LYS A 79 14.987 9.082 3.270 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.428 10.766 3.478 1.00 10.00 H new ATOM 0 HG2 LYS A 79 17.424 10.105 4.803 1.00 10.00 H new ATOM 0 HG3 LYS A 79 16.970 8.417 4.677 1.00 10.00 H new ATOM 0 HD2 LYS A 79 17.130 8.534 2.196 1.00 10.00 H new ATOM 0 HD3 LYS A 79 17.515 10.241 2.284 1.00 10.00 H new ATOM 0 HE2 LYS A 79 19.599 9.096 1.960 1.00 10.00 H new ATOM 0 HE3 LYS A 79 19.589 9.635 3.628 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 20.369 7.368 3.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 18.911 7.410 4.313 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 18.921 6.888 2.697 1.00 10.00 H new ATOM 1284 N PRO A 80 15.965 10.700 7.211 1.00 10.00 N ATOM 1285 CA PRO A 80 16.408 11.689 8.209 1.00 10.00 C ATOM 1286 C PRO A 80 16.976 13.028 7.706 1.00 10.00 C ATOM 1287 O PRO A 80 16.991 14.007 8.459 1.00 10.00 O ATOM 1288 CB PRO A 80 17.436 10.963 9.082 1.00 10.00 C ATOM 1289 CG PRO A 80 16.968 9.515 9.032 1.00 10.00 C ATOM 1290 CD PRO A 80 16.438 9.375 7.606 1.00 10.00 C ATOM 0 HA PRO A 80 15.513 12.022 8.735 1.00 10.00 H new ATOM 0 HB2 PRO A 80 18.447 11.074 8.691 1.00 10.00 H new ATOM 0 HB3 PRO A 80 17.444 11.349 10.101 1.00 10.00 H new ATOM 0 HG2 PRO A 80 17.784 8.820 9.229 1.00 10.00 H new ATOM 0 HG3 PRO A 80 16.193 9.315 9.772 1.00 10.00 H new ATOM 0 HD2 PRO A 80 17.221 9.025 6.933 1.00 10.00 H new ATOM 0 HD3 PRO A 80 15.630 8.645 7.562 1.00 10.00 H new ATOM 1298 N LYS A 81 17.421 13.102 6.444 1.00 10.00 N ATOM 1299 CA LYS A 81 17.866 14.348 5.786 1.00 10.00 C ATOM 1300 C LYS A 81 16.768 15.415 5.624 1.00 10.00 C ATOM 1301 O LYS A 81 17.087 16.590 5.437 1.00 10.00 O ATOM 1302 CB LYS A 81 18.549 14.032 4.440 1.00 10.00 C ATOM 1303 CG LYS A 81 17.590 13.559 3.331 1.00 10.00 C ATOM 1304 CD LYS A 81 18.347 13.338 2.014 1.00 10.00 C ATOM 1305 CE LYS A 81 17.367 13.010 0.880 1.00 10.00 C ATOM 1306 NZ LYS A 81 18.069 12.837 -0.419 1.00 10.00 N ATOM 0 H LYS A 81 17.485 12.285 5.837 1.00 10.00 H new ATOM 0 HA LYS A 81 18.592 14.799 6.463 1.00 10.00 H new ATOM 0 HB2 LYS A 81 19.072 14.924 4.094 1.00 10.00 H new ATOM 0 HB3 LYS A 81 19.304 13.263 4.602 1.00 10.00 H new ATOM 0 HG2 LYS A 81 17.103 12.633 3.636 1.00 10.00 H new ATOM 0 HG3 LYS A 81 16.803 14.299 3.184 1.00 10.00 H new ATOM 0 HD2 LYS A 81 18.919 14.231 1.762 1.00 10.00 H new ATOM 0 HD3 LYS A 81 19.063 12.524 2.131 1.00 10.00 H new ATOM 0 HE2 LYS A 81 16.821 12.099 1.123 1.00 10.00 H new ATOM 0 HE3 LYS A 81 16.631 13.809 0.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 17.375 12.616 -1.162 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 18.570 13.715 -0.663 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 18.754 12.058 -0.342 1.00 10.00 H new ATOM 1320 N ALA A 82 15.489 15.025 5.674 1.00 10.00 N ATOM 1321 CA ALA A 82 14.339 15.925 5.561 1.00 10.00 C ATOM 1322 C ALA A 82 14.310 16.973 6.699 1.00 10.00 C ATOM 1323 O ALA A 82 14.147 16.626 7.872 1.00 10.00 O ATOM 1324 CB ALA A 82 13.060 15.076 5.524 1.00 10.00 C ATOM 0 H ALA A 82 15.220 14.049 5.797 1.00 10.00 H new ATOM 0 HA ALA A 82 14.417 16.499 4.638 1.00 10.00 H new ATOM 0 HB1 ALA A 82 12.192 15.730 5.440 1.00 10.00 H new ATOM 0 HB2 ALA A 82 13.093 14.405 4.666 1.00 10.00 H new ATOM 0 HB3 ALA A 82 12.986 14.490 6.440 1.00 10.00 H new ATOM 1330 N VAL A 83 14.473 18.254 6.344 1.00 10.00 N ATOM 1331 CA VAL A 83 14.594 19.386 7.295 1.00 10.00 C ATOM 1332 C VAL A 83 13.845 20.658 6.845 1.00 10.00 C ATOM 1333 O VAL A 83 13.820 21.659 7.563 1.00 10.00 O ATOM 1334 CB VAL A 83 16.098 19.629 7.580 1.00 10.00 C ATOM 1335 CG1 VAL A 83 16.835 20.293 6.409 1.00 10.00 C ATOM 1336 CG2 VAL A 83 16.359 20.426 8.866 1.00 10.00 C ATOM 0 H VAL A 83 14.527 18.547 5.369 1.00 10.00 H new ATOM 0 HA VAL A 83 14.093 19.115 8.225 1.00 10.00 H new ATOM 0 HB VAL A 83 16.502 18.626 7.718 1.00 10.00 H new ATOM 0 HG11 VAL A 83 17.883 20.435 6.672 1.00 10.00 H new ATOM 0 HG12 VAL A 83 16.766 19.656 5.527 1.00 10.00 H new ATOM 0 HG13 VAL A 83 16.380 21.260 6.194 1.00 10.00 H new ATOM 0 HG21 VAL A 83 17.433 20.558 9.001 1.00 10.00 H new ATOM 0 HG22 VAL A 83 15.880 21.402 8.792 1.00 10.00 H new ATOM 0 HG23 VAL A 83 15.950 19.885 9.719 1.00 10.00 H new ATOM 1346 N SER A 84 13.214 20.636 5.664 1.00 10.00 N ATOM 1347 CA SER A 84 12.478 21.765 5.071 1.00 10.00 C ATOM 1348 C SER A 84 11.298 22.254 5.931 1.00 10.00 C ATOM 1349 O SER A 84 10.650 21.466 6.629 1.00 10.00 O ATOM 1350 CB SER A 84 11.949 21.370 3.685 1.00 10.00 C ATOM 1351 OG SER A 84 13.005 20.890 2.862 1.00 10.00 O ATOM 0 H SER A 84 13.200 19.805 5.073 1.00 10.00 H new ATOM 0 HA SER A 84 13.190 22.588 5.003 1.00 10.00 H new ATOM 0 HB2 SER A 84 11.183 20.601 3.788 1.00 10.00 H new ATOM 0 HB3 SER A 84 11.475 22.230 3.212 1.00 10.00 H new ATOM 0 HG SER A 84 12.648 20.642 1.984 1.00 10.00 H new ATOM 1357 N THR A 85 10.987 23.554 5.831 1.00 10.00 N ATOM 1358 CA THR A 85 9.909 24.260 6.563 1.00 10.00 C ATOM 1359 C THR A 85 9.175 25.289 5.693 1.00 10.00 C ATOM 1360 O THR A 85 9.731 25.757 4.671 1.00 10.00 O ATOM 1361 CB THR A 85 10.438 24.963 7.825 1.00 10.00 C ATOM 1362 OG1 THR A 85 11.548 25.784 7.516 1.00 10.00 O ATOM 1363 CG2 THR A 85 10.864 23.968 8.908 1.00 10.00 C ATOM 1364 OXT THR A 85 8.003 25.599 6.016 1.00 10.00 O ATOM 0 H THR A 85 11.501 24.178 5.209 1.00 10.00 H new ATOM 0 HA THR A 85 9.201 23.483 6.850 1.00 10.00 H new ATOM 0 HB THR A 85 9.614 25.567 8.205 1.00 10.00 H new ATOM 0 HG1 THR A 85 11.868 26.223 8.332 1.00 10.00 H new ATOM 0 HG21 THR A 85 11.230 24.512 9.779 1.00 10.00 H new ATOM 0 HG22 THR A 85 10.010 23.356 9.196 1.00 10.00 H new ATOM 0 HG23 THR A 85 11.656 23.327 8.522 1.00 10.00 H new TER 1372 THR A 85