USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 815 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 7 SER OG : rot 122:sc= -0.368 USER MOD Set 1.2: A 25 GLN : amide:sc= 0.524 K(o=-0.86,f=-3.1!) USER MOD Set 1.3: A 87 THR OG1 : rot 180:sc= -1.01 USER MOD Set 2.1: A 79 ASN : amide:sc= -5.93! C(o=-5!,f=-0.9!) USER MOD Set 2.2: A 84 SER OG : rot -11:sc= 0.968 USER MOD Set 3.1: A 66 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 178:sc= -0.114 (180deg=-0.133) USER MOD Set 4.2: A 59 HIS : no HD1:sc= -0.161 X(o=-0.28,f=0.14) USER MOD Set 5.1: A 41 SER OG : rot -39:sc= 1.09 USER MOD Set 5.2: A 44 LYS NZ :NH3+ -138:sc= -1.95 (180deg=-1.33!) USER MOD Set 5.3: A 69 MET CE :methyl 180:sc= -3.07! (180deg=-2.23!) USER MOD Single : A 1 ARG N :NH3+ -128:sc= 0.0247 (180deg=-0.605) USER MOD Single : A 4 SER OG : rot 180:sc= -0.421 USER MOD Single : A 9 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.273! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.2 (180deg=-1.66) USER MOD Single : A 17 SER OG : rot -88:sc= 0.0301 USER MOD Single : A 21 SER OG : rot 180:sc= -0.476 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.9 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= -0.236 (180deg=-0.248) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= -0.0113 (180deg=-0.177) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 56 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.76) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -146:sc= 0.0763 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 93 MET CE :methyl -148:sc= -0.466 (180deg=-0.666) USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= 0.874 (180deg=0.227) USER MOD Single : A 98 ASN : amide:sc= -0.0936 K(o=-0.094,f=-2!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.966 21.948 -7.908 1.00 0.00 N ATOM 2 CA ARG A 1 3.043 20.675 -7.138 1.00 0.00 C ATOM 3 C ARG A 1 4.486 20.435 -6.700 1.00 0.00 C ATOM 4 O ARG A 1 5.393 21.175 -7.083 1.00 0.00 O ATOM 5 CB ARG A 1 2.567 19.523 -8.024 1.00 0.00 C ATOM 6 CG ARG A 1 1.074 19.687 -8.312 1.00 0.00 C ATOM 7 CD ARG A 1 0.615 18.607 -9.292 1.00 0.00 C ATOM 8 NE ARG A 1 0.773 17.283 -8.700 1.00 0.00 N ATOM 9 CZ ARG A 1 0.520 16.184 -9.403 1.00 0.00 C ATOM 10 NH1 ARG A 1 0.100 16.279 -10.635 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.684 15.009 -8.860 1.00 0.00 N ATOM 0 H1 ARG A 1 2.220 22.552 -7.507 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.879 22.443 -7.853 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.745 21.739 -8.903 1.00 0.00 H new ATOM 0 HA ARG A 1 2.408 20.736 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.130 19.511 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.751 18.569 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.505 19.615 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.881 20.675 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.429 18.770 -9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.195 18.672 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 1 1.082 17.200 -7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -0.034 17.197 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.094 15.435 -11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.007 14.934 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.490 14.166 -9.400 1.00 0.00 H new ATOM 25 N GLU A 2 4.691 19.396 -5.898 1.00 0.00 N ATOM 26 CA GLU A 2 6.027 19.066 -5.412 1.00 0.00 C ATOM 27 C GLU A 2 6.039 17.674 -4.775 1.00 0.00 C ATOM 28 O GLU A 2 5.888 17.544 -3.561 1.00 0.00 O ATOM 29 CB GLU A 2 6.470 20.101 -4.373 1.00 0.00 C ATOM 30 CG GLU A 2 7.970 19.945 -4.113 1.00 0.00 C ATOM 31 CD GLU A 2 8.432 20.972 -3.083 1.00 0.00 C ATOM 32 OE1 GLU A 2 7.689 21.907 -2.833 1.00 0.00 O ATOM 33 OE2 GLU A 2 9.522 20.807 -2.560 1.00 0.00 O ATOM 0 H GLU A 2 3.954 18.771 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 2 6.714 19.074 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.254 21.108 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.912 19.965 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.182 18.938 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.524 20.076 -5.043 1.00 0.00 H new ATOM 40 N PRO A 3 6.213 16.634 -5.559 1.00 0.00 N ATOM 41 CA PRO A 3 6.246 15.241 -5.074 1.00 0.00 C ATOM 42 C PRO A 3 7.685 14.762 -4.938 1.00 0.00 C ATOM 43 O PRO A 3 8.615 15.571 -4.943 1.00 0.00 O ATOM 44 CB PRO A 3 5.515 14.502 -6.195 1.00 0.00 C ATOM 45 CG PRO A 3 5.864 15.259 -7.453 1.00 0.00 C ATOM 46 CD PRO A 3 6.408 16.637 -7.014 1.00 0.00 C ATOM 0 HA PRO A 3 5.797 15.093 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.837 13.462 -6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.438 14.493 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.610 14.717 -8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.987 15.375 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.459 16.756 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.865 17.453 -7.490 1.00 0.00 H new ATOM 54 N SER A 4 7.878 13.458 -4.828 1.00 0.00 N ATOM 55 CA SER A 4 9.225 12.927 -4.707 1.00 0.00 C ATOM 56 C SER A 4 9.204 11.394 -4.755 1.00 0.00 C ATOM 57 O SER A 4 8.137 10.783 -4.689 1.00 0.00 O ATOM 58 CB SER A 4 9.854 13.425 -3.392 1.00 0.00 C ATOM 59 OG SER A 4 10.144 12.319 -2.544 1.00 0.00 O ATOM 0 H SER A 4 7.135 12.759 -4.820 1.00 0.00 H new ATOM 0 HA SER A 4 9.828 13.279 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.767 13.981 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.172 14.111 -2.889 1.00 0.00 H new ATOM 0 HG SER A 4 10.545 12.642 -1.710 1.00 0.00 H new ATOM 65 N PRO A 5 10.350 10.765 -4.873 1.00 0.00 N ATOM 66 CA PRO A 5 10.447 9.277 -4.933 1.00 0.00 C ATOM 67 C PRO A 5 9.472 8.601 -3.964 1.00 0.00 C ATOM 68 O PRO A 5 8.970 9.244 -3.043 1.00 0.00 O ATOM 69 CB PRO A 5 11.902 9.010 -4.546 1.00 0.00 C ATOM 70 CG PRO A 5 12.649 10.203 -5.058 1.00 0.00 C ATOM 71 CD PRO A 5 11.681 11.396 -4.959 1.00 0.00 C ATOM 0 HA PRO A 5 10.183 8.874 -5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.013 8.905 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.270 8.088 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.548 10.382 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.970 10.048 -6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.890 12.009 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.759 12.047 -5.829 1.00 0.00 H new ATOM 79 N PRO A 6 9.180 7.333 -4.154 1.00 0.00 N ATOM 80 CA PRO A 6 8.237 6.586 -3.278 1.00 0.00 C ATOM 81 C PRO A 6 8.330 6.928 -1.793 1.00 0.00 C ATOM 82 O PRO A 6 9.236 7.634 -1.348 1.00 0.00 O ATOM 83 CB PRO A 6 8.587 5.132 -3.546 1.00 0.00 C ATOM 84 CG PRO A 6 8.929 5.133 -4.989 1.00 0.00 C ATOM 85 CD PRO A 6 9.689 6.451 -5.229 1.00 0.00 C ATOM 0 HA PRO A 6 7.204 6.844 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.424 4.799 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.750 4.469 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.545 4.272 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.032 5.079 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.768 6.312 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.483 6.861 -6.218 1.00 0.00 H new ATOM 93 N SER A 7 7.349 6.429 -1.045 1.00 0.00 N ATOM 94 CA SER A 7 7.265 6.682 0.387 1.00 0.00 C ATOM 95 C SER A 7 6.453 5.586 1.073 1.00 0.00 C ATOM 96 O SER A 7 5.569 5.872 1.881 1.00 0.00 O ATOM 97 CB SER A 7 6.582 8.027 0.603 1.00 0.00 C ATOM 98 OG SER A 7 7.231 9.014 -0.188 1.00 0.00 O ATOM 0 H SER A 7 6.598 5.844 -1.412 1.00 0.00 H new ATOM 0 HA SER A 7 8.268 6.692 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.529 7.961 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.623 8.304 1.656 1.00 0.00 H new ATOM 0 HG SER A 7 6.581 9.427 -0.794 1.00 0.00 H new ATOM 104 N ILE A 8 6.744 4.329 0.735 1.00 0.00 N ATOM 105 CA ILE A 8 6.020 3.190 1.306 1.00 0.00 C ATOM 106 C ILE A 8 6.993 2.180 1.896 1.00 0.00 C ATOM 107 O ILE A 8 7.912 1.710 1.226 1.00 0.00 O ATOM 108 CB ILE A 8 5.201 2.501 0.208 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.305 3.523 -0.519 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.341 1.393 0.829 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.033 3.820 0.272 1.00 0.00 C ATOM 0 H ILE A 8 7.474 4.073 0.070 1.00 0.00 H new ATOM 0 HA ILE A 8 5.363 3.558 2.093 1.00 0.00 H new ATOM 0 HB ILE A 8 5.883 2.063 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.860 4.448 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.040 3.139 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.759 0.903 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.986 0.660 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.666 1.827 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.427 4.544 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.465 2.900 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.298 4.228 1.247 1.00 0.00 H new ATOM 123 N HIS A 9 6.758 1.832 3.155 1.00 0.00 N ATOM 124 CA HIS A 9 7.587 0.852 3.859 1.00 0.00 C ATOM 125 C HIS A 9 6.726 -0.349 4.242 1.00 0.00 C ATOM 126 O HIS A 9 5.784 -0.221 5.023 1.00 0.00 O ATOM 127 CB HIS A 9 8.181 1.498 5.122 1.00 0.00 C ATOM 128 CG HIS A 9 9.451 2.234 4.782 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.544 3.091 3.696 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.689 2.249 5.376 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.797 3.580 3.669 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.538 3.099 4.673 1.00 0.00 N ATOM 0 H HIS A 9 5.996 2.215 3.715 1.00 0.00 H new ATOM 0 HA HIS A 9 8.400 0.521 3.213 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.459 2.187 5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.385 0.732 5.870 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.963 1.686 6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.160 4.276 2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.515 3.310 4.879 1.00 0.00 H new ATOM 140 N GLY A 10 7.052 -1.515 3.687 1.00 0.00 N ATOM 141 CA GLY A 10 6.291 -2.732 3.974 1.00 0.00 C ATOM 142 C GLY A 10 6.970 -3.571 5.042 1.00 0.00 C ATOM 143 O GLY A 10 8.197 -3.604 5.144 1.00 0.00 O ATOM 0 H GLY A 10 7.831 -1.644 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.286 -2.466 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.183 -3.319 3.062 1.00 0.00 H new ATOM 147 N GLN A 11 6.151 -4.253 5.834 1.00 0.00 N ATOM 148 CA GLN A 11 6.648 -5.109 6.906 1.00 0.00 C ATOM 149 C GLN A 11 5.697 -6.299 7.075 1.00 0.00 C ATOM 150 O GLN A 11 4.484 -6.104 7.150 1.00 0.00 O ATOM 151 CB GLN A 11 6.716 -4.306 8.209 1.00 0.00 C ATOM 152 CG GLN A 11 7.345 -5.155 9.315 1.00 0.00 C ATOM 153 CD GLN A 11 7.409 -4.354 10.610 1.00 0.00 C ATOM 154 OE1 GLN A 11 8.170 -3.392 10.711 1.00 0.00 O ATOM 155 NE2 GLN A 11 6.656 -4.702 11.620 1.00 0.00 N ATOM 0 H GLN A 11 5.134 -4.230 5.754 1.00 0.00 H new ATOM 0 HA GLN A 11 7.646 -5.473 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.302 -3.400 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.715 -3.992 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.760 -6.062 9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.347 -5.468 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.026 -5.499 11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.699 -4.176 12.493 1.00 0.00 H new ATOM 164 N PRO A 12 6.186 -7.520 7.116 1.00 0.00 N ATOM 165 CA PRO A 12 5.296 -8.711 7.256 1.00 0.00 C ATOM 166 C PRO A 12 4.722 -8.833 8.665 1.00 0.00 C ATOM 167 O PRO A 12 5.229 -9.597 9.485 1.00 0.00 O ATOM 168 CB PRO A 12 6.222 -9.891 6.920 1.00 0.00 C ATOM 169 CG PRO A 12 7.585 -9.423 7.311 1.00 0.00 C ATOM 170 CD PRO A 12 7.608 -7.916 7.040 1.00 0.00 C ATOM 0 HA PRO A 12 4.422 -8.658 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.938 -10.788 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.177 -10.141 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.783 -9.633 8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.354 -9.935 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.210 -7.386 7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.033 -7.692 6.062 1.00 0.00 H new ATOM 178 N SER A 13 3.653 -8.086 8.934 1.00 0.00 N ATOM 179 CA SER A 13 3.020 -8.136 10.243 1.00 0.00 C ATOM 180 C SER A 13 2.539 -9.550 10.531 1.00 0.00 C ATOM 181 O SER A 13 3.008 -10.511 9.922 1.00 0.00 O ATOM 182 CB SER A 13 1.837 -7.169 10.292 1.00 0.00 C ATOM 183 OG SER A 13 1.234 -7.228 11.579 1.00 0.00 O ATOM 0 H SER A 13 3.214 -7.448 8.270 1.00 0.00 H new ATOM 0 HA SER A 13 3.749 -7.843 10.998 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.174 -6.154 10.082 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.108 -7.429 9.524 1.00 0.00 H new ATOM 0 HG SER A 13 0.476 -6.608 11.614 1.00 0.00 H new ATOM 189 N SER A 14 1.601 -9.679 11.460 1.00 0.00 N ATOM 190 CA SER A 14 1.074 -10.990 11.807 1.00 0.00 C ATOM 191 C SER A 14 0.368 -11.611 10.604 1.00 0.00 C ATOM 192 O SER A 14 -0.416 -10.952 9.922 1.00 0.00 O ATOM 193 CB SER A 14 0.094 -10.870 12.973 1.00 0.00 C ATOM 194 OG SER A 14 -0.348 -12.167 13.354 1.00 0.00 O ATOM 0 H SER A 14 1.194 -8.902 11.981 1.00 0.00 H new ATOM 0 HA SER A 14 1.904 -11.632 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.575 -10.375 13.817 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.758 -10.254 12.685 1.00 0.00 H new ATOM 0 HG SER A 14 -0.975 -12.092 14.103 1.00 0.00 H new ATOM 200 N GLY A 15 0.649 -12.885 10.355 1.00 0.00 N ATOM 201 CA GLY A 15 0.032 -13.589 9.237 1.00 0.00 C ATOM 202 C GLY A 15 0.652 -13.178 7.904 1.00 0.00 C ATOM 203 O GLY A 15 1.849 -12.907 7.820 1.00 0.00 O ATOM 0 H GLY A 15 1.295 -13.448 10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.146 -14.664 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.038 -13.381 9.221 1.00 0.00 H new ATOM 207 N LYS A 16 -0.177 -13.156 6.861 1.00 0.00 N ATOM 208 CA LYS A 16 0.280 -12.797 5.517 1.00 0.00 C ATOM 209 C LYS A 16 0.082 -11.309 5.263 1.00 0.00 C ATOM 210 O LYS A 16 0.440 -10.798 4.201 1.00 0.00 O ATOM 211 CB LYS A 16 -0.496 -13.617 4.470 1.00 0.00 C ATOM 212 CG LYS A 16 -0.880 -14.979 5.055 1.00 0.00 C ATOM 213 CD LYS A 16 -1.289 -15.940 3.932 1.00 0.00 C ATOM 214 CE LYS A 16 -2.578 -15.453 3.259 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.601 -15.154 4.298 1.00 0.00 N ATOM 0 H LYS A 16 -1.170 -13.383 6.920 1.00 0.00 H new ATOM 0 HA LYS A 16 1.344 -13.021 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.392 -13.077 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.114 -13.754 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.040 -15.394 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.702 -14.861 5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.489 -16.010 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.438 -16.941 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.376 -14.561 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.952 -16.214 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.545 -15.139 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.572 -15.887 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.402 -14.226 4.724 1.00 0.00 H new ATOM 229 N SER A 17 -0.496 -10.617 6.234 1.00 0.00 N ATOM 230 CA SER A 17 -0.734 -9.193 6.081 1.00 0.00 C ATOM 231 C SER A 17 0.581 -8.433 5.987 1.00 0.00 C ATOM 232 O SER A 17 1.587 -8.841 6.567 1.00 0.00 O ATOM 233 CB SER A 17 -1.553 -8.667 7.259 1.00 0.00 C ATOM 234 OG SER A 17 -0.688 -8.397 8.353 1.00 0.00 O ATOM 0 H SER A 17 -0.804 -11.012 7.122 1.00 0.00 H new ATOM 0 HA SER A 17 -1.292 -9.037 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.085 -7.761 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.306 -9.400 7.549 1.00 0.00 H new ATOM 0 HG SER A 17 -0.576 -9.209 8.890 1.00 0.00 H new ATOM 240 N PHE A 18 0.567 -7.324 5.243 1.00 0.00 N ATOM 241 CA PHE A 18 1.765 -6.500 5.065 1.00 0.00 C ATOM 242 C PHE A 18 1.462 -5.058 5.466 1.00 0.00 C ATOM 243 O PHE A 18 0.572 -4.423 4.901 1.00 0.00 O ATOM 244 CB PHE A 18 2.218 -6.565 3.581 1.00 0.00 C ATOM 245 CG PHE A 18 3.687 -6.929 3.481 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.090 -8.267 3.590 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.642 -5.929 3.277 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.451 -8.595 3.497 1.00 0.00 C ATOM 249 CE2 PHE A 18 5.997 -6.262 3.182 1.00 0.00 C ATOM 250 CZ PHE A 18 6.400 -7.586 3.293 1.00 0.00 C ATOM 0 H PHE A 18 -0.259 -6.977 4.755 1.00 0.00 H new ATOM 0 HA PHE A 18 2.568 -6.877 5.698 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.619 -7.302 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.044 -5.602 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.355 -9.043 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.333 -4.898 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.766 -9.624 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.732 -5.487 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.448 -7.838 3.222 1.00 0.00 H new ATOM 260 N LYS A 19 2.206 -4.545 6.439 1.00 0.00 N ATOM 261 CA LYS A 19 1.998 -3.177 6.894 1.00 0.00 C ATOM 262 C LYS A 19 2.748 -2.199 6.001 1.00 0.00 C ATOM 263 O LYS A 19 3.943 -1.974 6.185 1.00 0.00 O ATOM 264 CB LYS A 19 2.505 -3.004 8.329 1.00 0.00 C ATOM 265 CG LYS A 19 2.061 -1.625 8.877 1.00 0.00 C ATOM 266 CD LYS A 19 3.156 -1.011 9.750 1.00 0.00 C ATOM 267 CE LYS A 19 2.726 0.392 10.170 1.00 0.00 C ATOM 268 NZ LYS A 19 1.626 0.295 11.172 1.00 0.00 N ATOM 0 H LYS A 19 2.950 -5.049 6.922 1.00 0.00 H new ATOM 0 HA LYS A 19 0.928 -2.974 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.114 -3.801 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.592 -3.083 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.832 -0.955 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.146 -1.737 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.329 -1.631 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.096 -0.968 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.573 0.932 10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.391 0.957 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.355 1.249 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.804 -0.174 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.950 -0.258 11.991 1.00 0.00 H new ATOM 282 N LEU A 20 2.036 -1.595 5.053 1.00 0.00 N ATOM 283 CA LEU A 20 2.655 -0.614 4.169 1.00 0.00 C ATOM 284 C LEU A 20 2.462 0.758 4.791 1.00 0.00 C ATOM 285 O LEU A 20 1.457 1.425 4.557 1.00 0.00 O ATOM 286 CB LEU A 20 2.028 -0.646 2.762 1.00 0.00 C ATOM 287 CG LEU A 20 1.692 -2.091 2.341 1.00 0.00 C ATOM 288 CD1 LEU A 20 0.695 -2.058 1.184 1.00 0.00 C ATOM 289 CD2 LEU A 20 2.966 -2.801 1.874 1.00 0.00 C ATOM 0 H LEU A 20 1.045 -1.764 4.879 1.00 0.00 H new ATOM 0 HA LEU A 20 3.714 -0.846 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.122 -0.040 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.717 -0.204 2.042 1.00 0.00 H new ATOM 0 HG LEU A 20 1.265 -2.624 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.454 -3.077 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.215 -1.549 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.134 -1.524 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.726 -3.822 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.390 -2.266 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.691 -2.821 2.688 1.00 0.00 H new ATOM 301 N SER A 21 3.423 1.156 5.610 1.00 0.00 N ATOM 302 CA SER A 21 3.355 2.430 6.291 1.00 0.00 C ATOM 303 C SER A 21 3.527 3.577 5.307 1.00 0.00 C ATOM 304 O SER A 21 4.580 3.718 4.684 1.00 0.00 O ATOM 305 CB SER A 21 4.451 2.506 7.356 1.00 0.00 C ATOM 306 OG SER A 21 4.512 1.272 8.058 1.00 0.00 O ATOM 0 H SER A 21 4.260 0.610 5.817 1.00 0.00 H new ATOM 0 HA SER A 21 2.376 2.516 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.413 2.720 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.244 3.322 8.049 1.00 0.00 H new ATOM 0 HG SER A 21 5.215 1.318 8.740 1.00 0.00 H new ATOM 312 N ILE A 22 2.502 4.408 5.184 1.00 0.00 N ATOM 313 CA ILE A 22 2.579 5.542 4.292 1.00 0.00 C ATOM 314 C ILE A 22 3.415 6.605 5.002 1.00 0.00 C ATOM 315 O ILE A 22 3.117 6.953 6.141 1.00 0.00 O ATOM 316 CB ILE A 22 1.163 6.091 4.020 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.146 4.947 3.940 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.153 6.838 2.688 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.589 3.902 2.922 1.00 0.00 C ATOM 0 H ILE A 22 1.619 4.316 5.687 1.00 0.00 H new ATOM 0 HA ILE A 22 3.025 5.261 3.338 1.00 0.00 H new ATOM 0 HB ILE A 22 0.893 6.760 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.035 4.483 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.831 5.341 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.153 7.226 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.861 7.666 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.438 6.156 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.147 3.099 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.676 4.365 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.556 3.494 3.217 1.00 0.00 H new ATOM 331 N THR A 23 4.468 7.108 4.358 1.00 0.00 N ATOM 332 CA THR A 23 5.317 8.118 4.998 1.00 0.00 C ATOM 333 C THR A 23 5.030 9.494 4.424 1.00 0.00 C ATOM 334 O THR A 23 5.243 9.750 3.238 1.00 0.00 O ATOM 335 CB THR A 23 6.796 7.757 4.817 1.00 0.00 C ATOM 336 OG1 THR A 23 7.073 6.555 5.521 1.00 0.00 O ATOM 337 CG2 THR A 23 7.675 8.886 5.362 1.00 0.00 C ATOM 0 H THR A 23 4.751 6.842 3.415 1.00 0.00 H new ATOM 0 HA THR A 23 5.092 8.138 6.064 1.00 0.00 H new ATOM 0 HB THR A 23 7.010 7.619 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.017 6.319 5.407 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.725 8.625 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.460 9.808 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.466 9.030 6.422 1.00 0.00 H new ATOM 345 N LYS A 24 4.539 10.378 5.287 1.00 0.00 N ATOM 346 CA LYS A 24 4.209 11.740 4.893 1.00 0.00 C ATOM 347 C LYS A 24 5.249 12.290 3.928 1.00 0.00 C ATOM 348 O LYS A 24 6.358 12.651 4.324 1.00 0.00 O ATOM 349 CB LYS A 24 4.155 12.615 6.147 1.00 0.00 C ATOM 350 CG LYS A 24 5.547 12.643 6.833 1.00 0.00 C ATOM 351 CD LYS A 24 5.391 12.593 8.365 1.00 0.00 C ATOM 352 CE LYS A 24 5.293 11.133 8.833 1.00 0.00 C ATOM 353 NZ LYS A 24 6.663 10.561 8.965 1.00 0.00 N ATOM 0 H LYS A 24 4.361 10.172 6.270 1.00 0.00 H new ATOM 0 HA LYS A 24 3.242 11.743 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.850 13.627 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.407 12.228 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.144 11.796 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.084 13.547 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.241 13.081 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.499 13.141 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.772 11.080 9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.711 10.550 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.597 9.573 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.145 10.598 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.204 11.113 9.661 1.00 0.00 H new ATOM 367 N GLN A 25 4.874 12.350 2.658 1.00 0.00 N ATOM 368 CA GLN A 25 5.761 12.859 1.614 1.00 0.00 C ATOM 369 C GLN A 25 5.380 14.301 1.290 1.00 0.00 C ATOM 370 O GLN A 25 4.308 14.769 1.671 1.00 0.00 O ATOM 371 CB GLN A 25 5.662 11.968 0.353 1.00 0.00 C ATOM 372 CG GLN A 25 4.323 11.222 0.338 1.00 0.00 C ATOM 373 CD GLN A 25 4.118 10.556 -1.019 1.00 0.00 C ATOM 374 OE1 GLN A 25 5.064 10.422 -1.793 1.00 0.00 O ATOM 375 NE2 GLN A 25 2.931 10.131 -1.354 1.00 0.00 N ATOM 0 H GLN A 25 3.958 12.052 2.322 1.00 0.00 H new ATOM 0 HA GLN A 25 6.793 12.836 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.755 12.581 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.485 11.254 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.306 10.471 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.507 11.916 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.148 10.244 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.786 9.686 -2.260 1.00 0.00 H new ATOM 384 N ASP A 26 6.262 15.004 0.594 1.00 0.00 N ATOM 385 CA ASP A 26 5.991 16.390 0.242 1.00 0.00 C ATOM 386 C ASP A 26 4.699 16.478 -0.561 1.00 0.00 C ATOM 387 O ASP A 26 4.639 16.044 -1.711 1.00 0.00 O ATOM 388 CB ASP A 26 7.154 16.951 -0.577 1.00 0.00 C ATOM 389 CG ASP A 26 7.058 18.472 -0.651 1.00 0.00 C ATOM 390 OD1 ASP A 26 6.270 19.036 0.091 1.00 0.00 O ATOM 391 OD2 ASP A 26 7.779 19.052 -1.444 1.00 0.00 O ATOM 0 H ASP A 26 7.158 14.644 0.266 1.00 0.00 H new ATOM 0 HA ASP A 26 5.881 16.976 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.102 16.660 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.138 16.529 -1.582 1.00 0.00 H new ATOM 396 N ASP A 27 3.665 17.033 0.060 1.00 0.00 N ATOM 397 CA ASP A 27 2.371 17.162 -0.598 1.00 0.00 C ATOM 398 C ASP A 27 2.425 18.226 -1.688 1.00 0.00 C ATOM 399 O ASP A 27 3.366 19.019 -1.753 1.00 0.00 O ATOM 400 CB ASP A 27 1.293 17.527 0.433 1.00 0.00 C ATOM 401 CG ASP A 27 1.688 18.804 1.168 1.00 0.00 C ATOM 402 OD1 ASP A 27 2.815 18.874 1.629 1.00 0.00 O ATOM 403 OD2 ASP A 27 0.856 19.691 1.260 1.00 0.00 O ATOM 0 H ASP A 27 3.697 17.399 1.012 1.00 0.00 H new ATOM 0 HA ASP A 27 2.121 16.206 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.333 17.666 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.168 16.711 1.145 1.00 0.00 H new ATOM 408 N GLY A 28 1.412 18.230 -2.546 1.00 0.00 N ATOM 409 CA GLY A 28 1.346 19.192 -3.638 1.00 0.00 C ATOM 410 C GLY A 28 1.401 20.618 -3.108 1.00 0.00 C ATOM 411 O GLY A 28 1.722 21.553 -3.841 1.00 0.00 O ATOM 0 H GLY A 28 0.627 17.580 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.173 19.024 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.426 19.045 -4.203 1.00 0.00 H new ATOM 415 N GLY A 29 1.084 20.776 -1.824 1.00 0.00 N ATOM 416 CA GLY A 29 1.094 22.094 -1.187 1.00 0.00 C ATOM 417 C GLY A 29 -0.084 22.243 -0.228 1.00 0.00 C ATOM 418 O GLY A 29 -0.245 23.283 0.412 1.00 0.00 O ATOM 0 H GLY A 29 0.818 20.011 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.029 22.234 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.048 22.872 -1.950 1.00 0.00 H new ATOM 422 N ALA A 30 -0.908 21.196 -0.128 1.00 0.00 N ATOM 423 CA ALA A 30 -2.071 21.216 0.760 1.00 0.00 C ATOM 424 C ALA A 30 -2.146 19.899 1.531 1.00 0.00 C ATOM 425 O ALA A 30 -1.685 18.868 1.042 1.00 0.00 O ATOM 426 CB ALA A 30 -3.347 21.410 -0.070 1.00 0.00 C ATOM 0 H ALA A 30 -0.791 20.327 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.977 22.040 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.213 21.425 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.288 22.354 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.447 20.589 -0.780 1.00 0.00 H new ATOM 432 N PRO A 31 -2.706 19.903 2.717 1.00 0.00 N ATOM 433 CA PRO A 31 -2.818 18.665 3.538 1.00 0.00 C ATOM 434 C PRO A 31 -3.770 17.661 2.898 1.00 0.00 C ATOM 435 O PRO A 31 -4.774 18.037 2.293 1.00 0.00 O ATOM 436 CB PRO A 31 -3.343 19.171 4.890 1.00 0.00 C ATOM 437 CG PRO A 31 -4.068 20.435 4.565 1.00 0.00 C ATOM 438 CD PRO A 31 -3.300 21.067 3.403 1.00 0.00 C ATOM 0 HA PRO A 31 -1.872 18.132 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.007 18.442 5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.527 19.351 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.102 20.232 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.095 21.103 5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.960 21.629 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.536 21.760 3.755 1.00 0.00 H new ATOM 446 N ILE A 32 -3.436 16.384 3.022 1.00 0.00 N ATOM 447 CA ILE A 32 -4.254 15.326 2.440 1.00 0.00 C ATOM 448 C ILE A 32 -5.370 14.892 3.382 1.00 0.00 C ATOM 449 O ILE A 32 -5.125 14.524 4.531 1.00 0.00 O ATOM 450 CB ILE A 32 -3.352 14.130 2.109 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.378 14.523 0.955 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.227 12.930 1.701 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.917 14.330 1.381 1.00 0.00 C ATOM 0 H ILE A 32 -2.608 16.055 3.518 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.724 15.709 1.534 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.763 13.851 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.587 13.916 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.544 15.562 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.589 12.078 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.892 12.668 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.820 13.193 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.258 14.611 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.705 14.957 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.749 13.285 1.640 1.00 0.00 H new ATOM 465 N LEU A 33 -6.592 14.919 2.864 1.00 0.00 N ATOM 466 CA LEU A 33 -7.750 14.506 3.646 1.00 0.00 C ATOM 467 C LEU A 33 -7.756 12.990 3.815 1.00 0.00 C ATOM 468 O LEU A 33 -8.063 12.474 4.890 1.00 0.00 O ATOM 469 CB LEU A 33 -9.048 14.966 2.956 1.00 0.00 C ATOM 470 CG LEU A 33 -9.315 16.440 3.279 1.00 0.00 C ATOM 471 CD1 LEU A 33 -8.195 17.305 2.697 1.00 0.00 C ATOM 472 CD2 LEU A 33 -10.655 16.863 2.672 1.00 0.00 C ATOM 0 H LEU A 33 -6.806 15.220 1.913 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.692 14.970 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.965 14.830 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.885 14.354 3.291 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.349 16.572 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.387 18.353 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.241 17.006 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.158 17.173 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.844 17.911 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.623 16.729 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.454 16.250 3.090 1.00 0.00 H new ATOM 484 N GLU A 34 -7.422 12.279 2.737 1.00 0.00 N ATOM 485 CA GLU A 34 -7.400 10.820 2.767 1.00 0.00 C ATOM 486 C GLU A 34 -6.473 10.255 1.702 1.00 0.00 C ATOM 487 O GLU A 34 -6.063 10.952 0.774 1.00 0.00 O ATOM 488 CB GLU A 34 -8.806 10.265 2.532 1.00 0.00 C ATOM 489 CG GLU A 34 -9.464 11.010 1.370 1.00 0.00 C ATOM 490 CD GLU A 34 -10.855 10.446 1.109 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.588 10.262 2.068 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.173 10.214 -0.047 1.00 0.00 O ATOM 0 H GLU A 34 -7.165 12.688 1.839 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.035 10.522 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.755 9.199 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.407 10.375 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.531 12.073 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.851 10.916 0.474 1.00 0.00 H new ATOM 499 N TYR A 35 -6.163 8.968 1.848 1.00 0.00 N ATOM 500 CA TYR A 35 -5.298 8.265 0.906 1.00 0.00 C ATOM 501 C TYR A 35 -6.080 7.167 0.190 1.00 0.00 C ATOM 502 O TYR A 35 -6.567 6.229 0.814 1.00 0.00 O ATOM 503 CB TYR A 35 -4.126 7.616 1.664 1.00 0.00 C ATOM 504 CG TYR A 35 -3.042 8.638 1.946 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.323 9.781 2.699 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.746 8.443 1.445 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.320 10.723 2.958 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.743 9.386 1.705 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.031 10.525 2.461 1.00 0.00 C ATOM 510 OH TYR A 35 -0.037 11.448 2.721 1.00 0.00 O ATOM 0 H TYR A 35 -6.502 8.388 2.616 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.923 8.984 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.484 7.189 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.715 6.795 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.320 9.939 3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.521 7.565 0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.544 11.603 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.254 9.232 1.320 1.00 0.00 H new ATOM 0 HH TYR A 35 0.799 11.155 2.302 1.00 0.00 H new ATOM 520 N ILE A 36 -6.153 7.268 -1.128 1.00 0.00 N ATOM 521 CA ILE A 36 -6.827 6.253 -1.930 1.00 0.00 C ATOM 522 C ILE A 36 -5.780 5.258 -2.390 1.00 0.00 C ATOM 523 O ILE A 36 -4.852 5.607 -3.119 1.00 0.00 O ATOM 524 CB ILE A 36 -7.491 6.895 -3.143 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.491 7.949 -2.665 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.222 5.817 -3.952 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.972 8.782 -3.854 1.00 0.00 C ATOM 0 H ILE A 36 -5.756 8.039 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.598 5.758 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.737 7.367 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.339 7.466 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.025 8.595 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.698 6.273 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.507 5.064 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.981 5.346 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.684 9.531 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.120 9.278 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.455 8.131 -4.583 1.00 0.00 H new ATOM 539 N VAL A 37 -5.909 4.026 -1.919 1.00 0.00 N ATOM 540 CA VAL A 37 -4.946 2.982 -2.236 1.00 0.00 C ATOM 541 C VAL A 37 -5.608 1.836 -2.974 1.00 0.00 C ATOM 542 O VAL A 37 -6.651 1.333 -2.556 1.00 0.00 O ATOM 543 CB VAL A 37 -4.356 2.483 -0.926 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.237 1.473 -1.206 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.828 3.689 -0.130 1.00 0.00 C ATOM 0 H VAL A 37 -6.673 3.725 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.168 3.384 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.121 1.977 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.820 1.121 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.641 0.627 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.453 1.952 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.402 3.345 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.060 4.200 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.648 4.378 0.073 1.00 0.00 H new ATOM 555 N LYS A 38 -4.994 1.424 -4.080 1.00 0.00 N ATOM 556 CA LYS A 38 -5.522 0.325 -4.881 1.00 0.00 C ATOM 557 C LYS A 38 -4.434 -0.730 -5.057 1.00 0.00 C ATOM 558 O LYS A 38 -3.274 -0.387 -5.251 1.00 0.00 O ATOM 559 CB LYS A 38 -5.957 0.852 -6.250 1.00 0.00 C ATOM 560 CG LYS A 38 -7.086 1.875 -6.067 1.00 0.00 C ATOM 561 CD LYS A 38 -7.441 2.517 -7.416 1.00 0.00 C ATOM 562 CE LYS A 38 -8.360 1.595 -8.219 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.843 2.318 -9.428 1.00 0.00 N ATOM 0 H LYS A 38 -4.132 1.834 -4.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.383 -0.117 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.111 1.314 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.296 0.028 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.965 1.387 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.779 2.645 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.931 3.477 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.531 2.717 -7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.824 0.692 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.205 1.281 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.469 1.695 -9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.368 3.168 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.030 2.597 -10.014 1.00 0.00 H new ATOM 577 N TYR A 39 -4.793 -2.011 -4.981 1.00 0.00 N ATOM 578 CA TYR A 39 -3.793 -3.074 -5.132 1.00 0.00 C ATOM 579 C TYR A 39 -4.369 -4.274 -5.876 1.00 0.00 C ATOM 580 O TYR A 39 -5.582 -4.486 -5.892 1.00 0.00 O ATOM 581 CB TYR A 39 -3.297 -3.517 -3.750 1.00 0.00 C ATOM 582 CG TYR A 39 -4.431 -4.136 -2.966 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.367 -3.322 -2.316 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.536 -5.530 -2.875 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.412 -3.904 -1.582 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.577 -6.110 -2.145 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.515 -5.297 -1.499 1.00 0.00 C ATOM 588 OH TYR A 39 -7.543 -5.874 -0.781 1.00 0.00 O ATOM 0 H TYR A 39 -5.746 -2.336 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.962 -2.677 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.485 -4.236 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.894 -2.661 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.285 -2.247 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.810 -6.158 -3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.136 -3.278 -1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.658 -7.185 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.467 -6.850 -0.827 1.00 0.00 H new ATOM 598 N ARG A 40 -3.485 -5.059 -6.494 1.00 0.00 N ATOM 599 CA ARG A 40 -3.904 -6.244 -7.242 1.00 0.00 C ATOM 600 C ARG A 40 -2.824 -7.323 -7.204 1.00 0.00 C ATOM 601 O ARG A 40 -1.727 -7.089 -6.705 1.00 0.00 O ATOM 602 CB ARG A 40 -4.197 -5.885 -8.699 1.00 0.00 C ATOM 603 CG ARG A 40 -2.952 -5.273 -9.381 1.00 0.00 C ATOM 604 CD ARG A 40 -3.046 -5.514 -10.889 1.00 0.00 C ATOM 605 NE ARG A 40 -1.910 -4.924 -11.592 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.780 -5.601 -11.783 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.649 -6.805 -11.292 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.199 -5.058 -12.452 1.00 0.00 N ATOM 0 H ARG A 40 -2.478 -4.896 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.810 -6.626 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.511 -6.777 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.025 -5.177 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.895 -4.205 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.043 -5.725 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.082 -6.585 -11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.974 -5.088 -11.271 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.984 -3.970 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.413 -7.226 -10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.217 -7.324 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.098 -4.115 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.065 -5.576 -12.599 1.00 0.00 H new ATOM 622 N SER A 41 -3.131 -8.498 -7.762 1.00 0.00 N ATOM 623 CA SER A 41 -2.163 -9.585 -7.810 1.00 0.00 C ATOM 624 C SER A 41 -1.229 -9.370 -8.996 1.00 0.00 C ATOM 625 O SER A 41 -1.655 -8.899 -10.051 1.00 0.00 O ATOM 626 CB SER A 41 -2.885 -10.929 -7.951 1.00 0.00 C ATOM 627 OG SER A 41 -3.404 -11.316 -6.685 1.00 0.00 O ATOM 0 H SER A 41 -4.035 -8.715 -8.182 1.00 0.00 H new ATOM 0 HA SER A 41 -1.585 -9.596 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.692 -10.847 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.197 -11.688 -8.323 1.00 0.00 H new ATOM 0 HG SER A 41 -2.757 -11.092 -5.984 1.00 0.00 H new ATOM 633 N LYS A 42 0.040 -9.705 -8.822 1.00 0.00 N ATOM 634 CA LYS A 42 1.013 -9.525 -9.894 1.00 0.00 C ATOM 635 C LYS A 42 0.704 -10.389 -11.120 1.00 0.00 C ATOM 636 O LYS A 42 0.886 -9.936 -12.251 1.00 0.00 O ATOM 637 CB LYS A 42 2.437 -9.811 -9.373 1.00 0.00 C ATOM 638 CG LYS A 42 3.008 -8.556 -8.700 1.00 0.00 C ATOM 639 CD LYS A 42 4.472 -8.768 -8.318 1.00 0.00 C ATOM 640 CE LYS A 42 4.954 -7.547 -7.533 1.00 0.00 C ATOM 641 NZ LYS A 42 6.391 -7.718 -7.172 1.00 0.00 N ATOM 0 H LYS A 42 0.419 -10.098 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 42 0.949 -8.486 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.415 -10.637 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.081 -10.117 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.923 -7.704 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.425 -8.317 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.579 -9.671 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.080 -8.907 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.824 -6.644 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.355 -7.422 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.725 -6.872 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.498 -8.551 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.953 -7.850 -8.037 1.00 0.00 H new ATOM 655 N ASP A 43 0.263 -11.624 -10.919 1.00 0.00 N ATOM 656 CA ASP A 43 -0.024 -12.491 -12.067 1.00 0.00 C ATOM 657 C ASP A 43 -1.351 -12.110 -12.727 1.00 0.00 C ATOM 658 O ASP A 43 -1.437 -12.010 -13.951 1.00 0.00 O ATOM 659 CB ASP A 43 -0.053 -13.973 -11.645 1.00 0.00 C ATOM 660 CG ASP A 43 0.452 -14.868 -12.780 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.403 -14.430 -13.919 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.875 -15.975 -12.494 1.00 0.00 O ATOM 0 H ASP A 43 0.098 -12.043 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 43 0.777 -12.350 -12.792 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.566 -14.116 -10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.069 -14.259 -11.374 1.00 0.00 H new ATOM 667 N LYS A 44 -2.387 -11.906 -11.909 1.00 0.00 N ATOM 668 CA LYS A 44 -3.708 -11.547 -12.432 1.00 0.00 C ATOM 669 C LYS A 44 -3.840 -10.032 -12.558 1.00 0.00 C ATOM 670 O LYS A 44 -4.267 -9.351 -11.626 1.00 0.00 O ATOM 671 CB LYS A 44 -4.814 -12.089 -11.506 1.00 0.00 C ATOM 672 CG LYS A 44 -5.199 -13.523 -11.901 1.00 0.00 C ATOM 673 CD LYS A 44 -3.989 -14.454 -11.844 1.00 0.00 C ATOM 674 CE LYS A 44 -3.457 -14.520 -10.417 1.00 0.00 C ATOM 675 NZ LYS A 44 -2.661 -15.771 -10.260 1.00 0.00 N ATOM 0 H LYS A 44 -2.339 -11.982 -10.893 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.818 -11.994 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.470 -12.071 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.690 -11.443 -11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.977 -13.891 -11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.617 -13.526 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.269 -15.451 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.210 -14.095 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.837 -13.649 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.282 -14.506 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.880 -16.209 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.900 -16.433 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.647 -15.545 -10.302 1.00 0.00 H new ATOM 689 N GLU A 45 -3.489 -9.525 -13.732 1.00 0.00 N ATOM 690 CA GLU A 45 -3.580 -8.089 -14.013 1.00 0.00 C ATOM 691 C GLU A 45 -4.859 -7.781 -14.782 1.00 0.00 C ATOM 692 O GLU A 45 -4.811 -7.373 -15.943 1.00 0.00 O ATOM 693 CB GLU A 45 -2.370 -7.633 -14.839 1.00 0.00 C ATOM 694 CG GLU A 45 -2.155 -8.573 -16.054 1.00 0.00 C ATOM 695 CD GLU A 45 -1.020 -9.562 -15.782 1.00 0.00 C ATOM 696 OE1 GLU A 45 0.056 -9.113 -15.421 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.243 -10.751 -15.940 1.00 0.00 O ATOM 0 H GLU A 45 -3.137 -10.084 -14.510 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.593 -7.554 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.523 -6.611 -15.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.477 -7.627 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.075 -9.118 -16.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.924 -7.982 -16.940 1.00 0.00 H new ATOM 704 N ASP A 46 -6.005 -7.983 -14.130 1.00 0.00 N ATOM 705 CA ASP A 46 -7.301 -7.728 -14.764 1.00 0.00 C ATOM 706 C ASP A 46 -8.253 -6.995 -13.816 1.00 0.00 C ATOM 707 O ASP A 46 -9.354 -6.612 -14.210 1.00 0.00 O ATOM 708 CB ASP A 46 -7.929 -9.056 -15.188 1.00 0.00 C ATOM 709 CG ASP A 46 -7.935 -10.026 -14.009 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.820 -9.563 -12.887 1.00 0.00 O ATOM 711 OD2 ASP A 46 -8.057 -11.216 -14.246 1.00 0.00 O ATOM 0 H ASP A 46 -6.063 -8.320 -13.169 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.134 -7.094 -15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.947 -8.891 -15.540 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.370 -9.484 -16.020 1.00 0.00 H new ATOM 716 N GLN A 47 -7.836 -6.810 -12.561 1.00 0.00 N ATOM 717 CA GLN A 47 -8.680 -6.130 -11.572 1.00 0.00 C ATOM 718 C GLN A 47 -7.839 -5.325 -10.582 1.00 0.00 C ATOM 719 O GLN A 47 -6.667 -5.627 -10.353 1.00 0.00 O ATOM 720 CB GLN A 47 -9.509 -7.157 -10.790 1.00 0.00 C ATOM 721 CG GLN A 47 -10.546 -7.812 -11.709 1.00 0.00 C ATOM 722 CD GLN A 47 -11.368 -8.824 -10.919 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.185 -8.965 -9.711 1.00 0.00 O ATOM 724 NE2 GLN A 47 -12.268 -9.541 -11.533 1.00 0.00 N ATOM 0 H GLN A 47 -6.930 -7.117 -12.207 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.337 -5.450 -12.115 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.853 -7.919 -10.368 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.010 -6.670 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.200 -7.051 -12.135 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.047 -8.306 -12.542 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.418 -9.422 -12.535 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.822 -10.220 -11.011 1.00 0.00 H new ATOM 733 N TRP A 48 -8.461 -4.306 -9.983 1.00 0.00 N ATOM 734 CA TRP A 48 -7.791 -3.453 -8.997 1.00 0.00 C ATOM 735 C TRP A 48 -8.714 -3.200 -7.806 1.00 0.00 C ATOM 736 O TRP A 48 -9.753 -2.551 -7.933 1.00 0.00 O ATOM 737 CB TRP A 48 -7.380 -2.117 -9.633 1.00 0.00 C ATOM 738 CG TRP A 48 -6.097 -2.263 -10.393 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.988 -2.600 -11.700 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.737 -2.057 -9.910 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.647 -2.618 -12.046 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.837 -2.291 -10.976 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.204 -1.697 -8.660 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.456 -2.168 -10.804 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.819 -1.578 -8.486 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.945 -1.813 -9.555 1.00 0.00 C ATOM 0 H TRP A 48 -9.432 -4.051 -10.165 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.894 -3.966 -8.650 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.167 -1.770 -10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.265 -1.360 -8.857 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.811 -2.819 -12.364 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.300 -2.845 -12.978 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.867 -1.511 -7.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.788 -2.347 -11.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.422 -1.303 -7.520 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.878 -1.720 -9.413 1.00 0.00 H new ATOM 757 N LEU A 49 -8.314 -3.717 -6.647 1.00 0.00 N ATOM 758 CA LEU A 49 -9.092 -3.548 -5.421 1.00 0.00 C ATOM 759 C LEU A 49 -8.877 -2.145 -4.858 1.00 0.00 C ATOM 760 O LEU A 49 -7.911 -1.484 -5.215 1.00 0.00 O ATOM 761 CB LEU A 49 -8.674 -4.597 -4.385 1.00 0.00 C ATOM 762 CG LEU A 49 -8.837 -6.005 -4.973 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.351 -7.037 -3.951 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.316 -6.272 -5.309 1.00 0.00 C ATOM 0 H LEU A 49 -7.456 -4.256 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.149 -3.681 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.638 -4.435 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.282 -4.496 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.248 -6.082 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.465 -8.039 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.301 -6.856 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.941 -6.951 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.419 -7.274 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.915 -6.192 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.662 -5.539 -6.038 1.00 0.00 H new ATOM 776 N GLU A 50 -9.792 -1.685 -3.999 1.00 0.00 N ATOM 777 CA GLU A 50 -9.693 -0.337 -3.406 1.00 0.00 C ATOM 778 C GLU A 50 -9.387 -0.414 -1.909 1.00 0.00 C ATOM 779 O GLU A 50 -9.697 -1.408 -1.253 1.00 0.00 O ATOM 780 CB GLU A 50 -11.019 0.398 -3.595 1.00 0.00 C ATOM 781 CG GLU A 50 -11.263 0.662 -5.084 1.00 0.00 C ATOM 782 CD GLU A 50 -12.642 1.282 -5.277 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.300 1.537 -4.281 1.00 0.00 O ATOM 784 OE2 GLU A 50 -13.025 1.488 -6.418 1.00 0.00 O ATOM 0 H GLU A 50 -10.607 -2.219 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.883 0.195 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.835 -0.196 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.003 1.341 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.496 1.330 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.191 -0.270 -5.645 1.00 0.00 H new ATOM 791 N LYS A 51 -8.790 0.653 -1.370 1.00 0.00 N ATOM 792 CA LYS A 51 -8.460 0.715 0.049 1.00 0.00 C ATOM 793 C LYS A 51 -8.292 2.188 0.439 1.00 0.00 C ATOM 794 O LYS A 51 -7.368 2.852 -0.016 1.00 0.00 O ATOM 795 CB LYS A 51 -7.177 -0.105 0.303 1.00 0.00 C ATOM 796 CG LYS A 51 -6.601 0.123 1.721 1.00 0.00 C ATOM 797 CD LYS A 51 -7.373 -0.699 2.782 1.00 0.00 C ATOM 798 CE LYS A 51 -8.692 -0.011 3.203 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.825 -0.087 4.685 1.00 0.00 N ATOM 0 H LYS A 51 -8.527 1.484 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.252 0.286 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.394 -1.165 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.425 0.163 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.548 -0.157 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.653 1.183 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.592 -1.690 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.742 -0.841 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.695 1.029 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.541 -0.498 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.710 0.374 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.839 -1.084 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.019 0.396 5.131 1.00 0.00 H new ATOM 813 N LYS A 52 -9.205 2.700 1.265 1.00 0.00 N ATOM 814 CA LYS A 52 -9.160 4.109 1.681 1.00 0.00 C ATOM 815 C LYS A 52 -8.520 4.260 3.059 1.00 0.00 C ATOM 816 O LYS A 52 -8.729 3.431 3.944 1.00 0.00 O ATOM 817 CB LYS A 52 -10.586 4.667 1.742 1.00 0.00 C ATOM 818 CG LYS A 52 -11.295 4.479 0.393 1.00 0.00 C ATOM 819 CD LYS A 52 -10.646 5.365 -0.679 1.00 0.00 C ATOM 820 CE LYS A 52 -11.602 5.525 -1.865 1.00 0.00 C ATOM 821 NZ LYS A 52 -12.676 6.493 -1.504 1.00 0.00 N ATOM 0 H LYS A 52 -9.981 2.168 1.659 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.561 4.656 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.147 4.162 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.558 5.726 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.243 3.433 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.351 4.730 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.405 6.342 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.708 4.921 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.058 5.878 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.038 4.561 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.138 6.837 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.379 6.022 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.261 7.296 -0.990 1.00 0.00 H new ATOM 835 N VAL A 53 -7.750 5.340 3.241 1.00 0.00 N ATOM 836 CA VAL A 53 -7.097 5.610 4.525 1.00 0.00 C ATOM 837 C VAL A 53 -7.205 7.091 4.880 1.00 0.00 C ATOM 838 O VAL A 53 -7.353 7.947 4.014 1.00 0.00 O ATOM 839 CB VAL A 53 -5.605 5.177 4.509 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.267 4.409 5.793 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.336 4.289 3.294 1.00 0.00 C ATOM 0 H VAL A 53 -7.565 6.037 2.519 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.612 5.021 5.284 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.979 6.068 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.219 4.110 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.445 5.049 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.897 3.522 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.288 3.988 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.968 3.402 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.560 4.842 2.382 1.00 0.00 H new ATOM 851 N GLN A 54 -7.104 7.369 6.168 1.00 0.00 N ATOM 852 CA GLN A 54 -7.162 8.732 6.668 1.00 0.00 C ATOM 853 C GLN A 54 -5.791 9.381 6.522 1.00 0.00 C ATOM 854 O GLN A 54 -4.767 8.717 6.670 1.00 0.00 O ATOM 855 CB GLN A 54 -7.596 8.701 8.135 1.00 0.00 C ATOM 856 CG GLN A 54 -7.743 10.117 8.672 1.00 0.00 C ATOM 857 CD GLN A 54 -8.501 10.103 9.995 1.00 0.00 C ATOM 858 OE1 GLN A 54 -8.301 9.208 10.817 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.357 11.052 10.255 1.00 0.00 N ATOM 0 H GLN A 54 -6.980 6.662 6.893 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.883 9.317 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.542 8.169 8.230 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.862 8.155 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.759 10.564 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.273 10.735 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.521 11.792 9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.863 11.054 11.141 1.00 0.00 H new ATOM 868 N GLY A 55 -5.762 10.669 6.219 1.00 0.00 N ATOM 869 CA GLY A 55 -4.485 11.345 6.054 1.00 0.00 C ATOM 870 C GLY A 55 -3.667 11.210 7.329 1.00 0.00 C ATOM 871 O GLY A 55 -2.448 11.049 7.289 1.00 0.00 O ATOM 0 H GLY A 55 -6.586 11.255 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.940 10.915 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.647 12.398 5.824 1.00 0.00 H new ATOM 875 N ASN A 56 -4.361 11.259 8.458 1.00 0.00 N ATOM 876 CA ASN A 56 -3.711 11.125 9.758 1.00 0.00 C ATOM 877 C ASN A 56 -3.154 9.716 9.928 1.00 0.00 C ATOM 878 O ASN A 56 -2.071 9.531 10.483 1.00 0.00 O ATOM 879 CB ASN A 56 -4.699 11.428 10.888 1.00 0.00 C ATOM 880 CG ASN A 56 -5.118 12.893 10.827 1.00 0.00 C ATOM 881 OD1 ASN A 56 -4.738 13.609 9.901 1.00 0.00 O ATOM 882 ND2 ASN A 56 -5.874 13.389 11.768 1.00 0.00 N ATOM 0 H ASN A 56 -5.372 11.390 8.502 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.891 11.842 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.575 10.785 10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.240 11.211 11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.150 14.370 11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.189 12.795 12.535 1.00 0.00 H new ATOM 889 N LYS A 57 -3.908 8.722 9.459 1.00 0.00 N ATOM 890 CA LYS A 57 -3.477 7.331 9.579 1.00 0.00 C ATOM 891 C LYS A 57 -2.097 7.143 8.959 1.00 0.00 C ATOM 892 O LYS A 57 -1.114 6.933 9.668 1.00 0.00 O ATOM 893 CB LYS A 57 -4.487 6.389 8.891 1.00 0.00 C ATOM 894 CG LYS A 57 -5.558 5.931 9.892 1.00 0.00 C ATOM 895 CD LYS A 57 -6.630 5.126 9.156 1.00 0.00 C ATOM 896 CE LYS A 57 -7.727 4.714 10.140 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.793 3.972 9.409 1.00 0.00 N ATOM 0 H LYS A 57 -4.809 8.852 8.998 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.427 7.084 10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.959 6.901 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.967 5.522 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.104 5.323 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.008 6.795 10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.056 5.721 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.186 4.242 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.308 4.088 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.148 5.596 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.540 3.691 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.199 4.584 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.385 3.123 8.968 1.00 0.00 H new ATOM 911 N ASP A 58 -2.046 7.197 7.631 1.00 0.00 N ATOM 912 CA ASP A 58 -0.806 7.019 6.908 1.00 0.00 C ATOM 913 C ASP A 58 -0.212 5.637 7.197 1.00 0.00 C ATOM 914 O ASP A 58 0.969 5.508 7.521 1.00 0.00 O ATOM 915 CB ASP A 58 0.189 8.124 7.283 1.00 0.00 C ATOM 916 CG ASP A 58 -0.255 9.456 6.687 1.00 0.00 C ATOM 917 OD1 ASP A 58 -1.076 9.438 5.785 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.236 10.477 7.142 1.00 0.00 O ATOM 0 H ASP A 58 -2.858 7.364 7.037 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.011 7.086 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.259 8.208 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.184 7.867 6.918 1.00 0.00 H new ATOM 923 N HIS A 59 -1.053 4.608 7.072 1.00 0.00 N ATOM 924 CA HIS A 59 -0.635 3.222 7.312 1.00 0.00 C ATOM 925 C HIS A 59 -1.802 2.283 6.989 1.00 0.00 C ATOM 926 O HIS A 59 -2.953 2.595 7.287 1.00 0.00 O ATOM 927 CB HIS A 59 -0.153 3.058 8.782 1.00 0.00 C ATOM 928 CG HIS A 59 -1.186 2.364 9.640 1.00 0.00 C ATOM 929 ND1 HIS A 59 -2.128 3.057 10.386 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.424 1.035 9.881 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.882 2.148 11.033 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.492 0.899 10.759 1.00 0.00 N ATOM 0 H HIS A 59 -2.032 4.708 6.805 1.00 0.00 H new ATOM 0 HA HIS A 59 0.202 2.965 6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.775 2.487 8.798 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.069 4.039 9.203 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.865 0.217 9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.701 2.397 11.692 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.893 0.032 11.118 1.00 0.00 H new ATOM 940 N ILE A 60 -1.508 1.139 6.364 1.00 0.00 N ATOM 941 CA ILE A 60 -2.566 0.186 6.002 1.00 0.00 C ATOM 942 C ILE A 60 -2.130 -1.260 6.188 1.00 0.00 C ATOM 943 O ILE A 60 -0.950 -1.593 6.079 1.00 0.00 O ATOM 944 CB ILE A 60 -2.997 0.408 4.546 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.757 0.490 3.636 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.791 1.708 4.441 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.163 0.971 2.237 1.00 0.00 C ATOM 0 H ILE A 60 -0.565 0.852 6.101 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.406 0.368 6.673 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.620 -0.428 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.025 1.173 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.280 -0.488 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.097 1.865 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.675 1.647 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.169 2.542 4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.280 1.026 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.879 0.271 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.620 1.958 2.310 1.00 0.00 H new ATOM 959 N ILE A 61 -3.118 -2.119 6.457 1.00 0.00 N ATOM 960 CA ILE A 61 -2.878 -3.548 6.650 1.00 0.00 C ATOM 961 C ILE A 61 -3.707 -4.355 5.651 1.00 0.00 C ATOM 962 O ILE A 61 -4.903 -4.561 5.852 1.00 0.00 O ATOM 963 CB ILE A 61 -3.295 -3.958 8.067 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.664 -3.018 9.106 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.858 -5.398 8.338 1.00 0.00 C ATOM 966 CD1 ILE A 61 -1.129 -3.006 9.001 1.00 0.00 C ATOM 0 H ILE A 61 -4.096 -1.845 6.546 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.817 -3.746 6.499 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.380 -3.888 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.047 -2.008 8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.958 -3.332 10.108 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.156 -5.685 9.346 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.331 -6.064 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.775 -5.473 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.718 -2.330 9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.745 -4.012 9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.835 -2.667 8.008 1.00 0.00 H new ATOM 978 N LEU A 62 -3.063 -4.827 4.585 1.00 0.00 N ATOM 979 CA LEU A 62 -3.754 -5.628 3.572 1.00 0.00 C ATOM 980 C LEU A 62 -3.627 -7.108 3.918 1.00 0.00 C ATOM 981 O LEU A 62 -2.554 -7.691 3.784 1.00 0.00 O ATOM 982 CB LEU A 62 -3.132 -5.361 2.192 1.00 0.00 C ATOM 983 CG LEU A 62 -3.695 -4.063 1.604 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.497 -2.906 2.584 1.00 0.00 C ATOM 985 CD2 LEU A 62 -2.967 -3.744 0.298 1.00 0.00 C ATOM 0 H LEU A 62 -2.072 -4.671 4.400 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.809 -5.354 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.048 -5.289 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.343 -6.195 1.522 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.761 -4.192 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.902 -1.990 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.015 -3.127 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.433 -2.774 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.364 -2.821 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.902 -3.624 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.115 -4.560 -0.410 1.00 0.00 H new ATOM 997 N GLU A 63 -4.728 -7.705 4.373 1.00 0.00 N ATOM 998 CA GLU A 63 -4.732 -9.120 4.754 1.00 0.00 C ATOM 999 C GLU A 63 -5.245 -9.998 3.615 1.00 0.00 C ATOM 1000 O GLU A 63 -6.089 -9.579 2.828 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.615 -9.316 5.998 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.252 -10.623 6.722 1.00 0.00 C ATOM 1003 CD GLU A 63 -5.767 -11.822 5.933 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -6.940 -11.828 5.599 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -4.979 -12.716 5.672 1.00 0.00 O ATOM 0 H GLU A 63 -5.626 -7.235 4.487 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.707 -9.417 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.489 -8.472 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.665 -9.336 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.171 -10.694 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.683 -10.625 7.723 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.718 -11.223 3.564 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.090 -12.218 2.552 1.00 0.00 C ATOM 1014 C HIS A 64 -4.149 -12.159 1.353 1.00 0.00 C ATOM 1015 O HIS A 64 -4.592 -12.145 0.204 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.544 -12.038 2.079 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.033 -13.320 1.456 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.092 -13.498 0.082 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.468 -14.500 2.006 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.545 -14.744 -0.145 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.789 -15.399 0.994 1.00 0.00 N ATOM 0 H HIS A 64 -4.017 -11.556 4.226 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.003 -13.196 3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.180 -11.765 2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.604 -11.224 1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.549 -14.700 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.694 -15.164 -1.129 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.136 -16.352 1.099 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.844 -12.144 1.630 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.833 -12.111 0.572 1.00 0.00 C ATOM 1031 C LEU A 65 -1.068 -13.436 0.589 1.00 0.00 C ATOM 1032 O LEU A 65 -0.124 -13.600 1.351 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.870 -10.937 0.810 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.666 -9.680 1.174 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.694 -8.531 1.454 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.580 -9.295 0.005 1.00 0.00 C ATOM 0 H LEU A 65 -2.463 -12.154 2.576 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.309 -11.975 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.173 -11.183 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.275 -10.755 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.271 -9.876 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.256 -7.634 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.040 -8.802 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.093 -8.338 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.146 -8.400 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.975 -9.097 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.270 -10.113 -0.202 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.504 -14.391 -0.230 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.861 -15.706 -0.257 1.00 0.00 C ATOM 1050 C GLN A 66 0.657 -15.570 -0.283 1.00 0.00 C ATOM 1051 O GLN A 66 1.199 -14.609 -0.821 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.331 -16.505 -1.474 1.00 0.00 C ATOM 1053 CG GLN A 66 -0.985 -17.984 -1.286 1.00 0.00 C ATOM 1054 CD GLN A 66 -1.536 -18.800 -2.451 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.421 -18.340 -3.171 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -1.058 -19.993 -2.683 1.00 0.00 N ATOM 0 H GLN A 66 -2.287 -14.284 -0.875 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.146 -16.238 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.407 -16.387 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.856 -16.123 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.096 -18.108 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.403 -18.347 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.324 -20.373 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.418 -20.544 -3.462 1.00 0.00 H new ATOM 1065 N TRP A 67 1.328 -16.543 0.320 1.00 0.00 N ATOM 1066 CA TRP A 67 2.789 -16.539 0.398 1.00 0.00 C ATOM 1067 C TRP A 67 3.430 -16.865 -0.952 1.00 0.00 C ATOM 1068 O TRP A 67 4.649 -16.773 -1.098 1.00 0.00 O ATOM 1069 CB TRP A 67 3.247 -17.585 1.419 1.00 0.00 C ATOM 1070 CG TRP A 67 2.674 -17.286 2.772 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.564 -17.867 3.281 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.164 -16.372 3.801 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.339 -17.370 4.552 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.298 -16.446 4.918 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.261 -15.494 3.874 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.513 -15.677 6.064 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.480 -14.719 5.026 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.606 -14.812 6.120 1.00 0.00 C ATOM 0 H TRP A 67 0.886 -17.348 0.764 1.00 0.00 H new ATOM 0 HA TRP A 67 3.101 -15.539 0.698 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.934 -18.578 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.336 -17.596 1.473 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.952 -18.600 2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.560 -17.652 5.147 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.940 -15.415 3.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.836 -15.752 6.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.325 -14.048 5.069 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.779 -14.215 7.003 1.00 0.00 H new ATOM 1089 N THR A 68 2.619 -17.272 -1.930 1.00 0.00 N ATOM 1090 CA THR A 68 3.138 -17.639 -3.257 1.00 0.00 C ATOM 1091 C THR A 68 2.674 -16.666 -4.338 1.00 0.00 C ATOM 1092 O THR A 68 2.697 -16.994 -5.524 1.00 0.00 O ATOM 1093 CB THR A 68 2.667 -19.050 -3.614 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.340 -18.992 -4.117 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.704 -19.932 -2.366 1.00 0.00 C ATOM 0 H THR A 68 1.607 -17.357 -1.834 1.00 0.00 H new ATOM 0 HA THR A 68 4.226 -17.599 -3.212 1.00 0.00 H new ATOM 0 HB THR A 68 3.325 -19.472 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.038 -19.895 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.368 -20.937 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.723 -19.976 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.047 -19.512 -1.604 1.00 0.00 H new ATOM 1103 N MET A 69 2.242 -15.473 -3.935 1.00 0.00 N ATOM 1104 CA MET A 69 1.770 -14.476 -4.899 1.00 0.00 C ATOM 1105 C MET A 69 2.142 -13.065 -4.479 1.00 0.00 C ATOM 1106 O MET A 69 1.936 -12.668 -3.331 1.00 0.00 O ATOM 1107 CB MET A 69 0.245 -14.563 -5.039 1.00 0.00 C ATOM 1108 CG MET A 69 -0.141 -15.694 -6.000 1.00 0.00 C ATOM 1109 SD MET A 69 -1.896 -15.559 -6.397 1.00 0.00 S ATOM 1110 CE MET A 69 -1.719 -14.346 -7.734 1.00 0.00 C ATOM 0 H MET A 69 2.208 -15.173 -2.961 1.00 0.00 H new ATOM 0 HA MET A 69 2.253 -14.693 -5.852 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.207 -14.737 -4.062 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.147 -13.615 -5.407 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.456 -15.634 -6.910 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.068 -16.662 -5.545 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.702 -14.106 -8.140 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.257 -13.439 -7.344 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.092 -14.762 -8.522 1.00 0.00 H new ATOM 1120 N GLY A 70 2.657 -12.302 -5.437 1.00 0.00 N ATOM 1121 CA GLY A 70 3.020 -10.923 -5.191 1.00 0.00 C ATOM 1122 C GLY A 70 1.830 -10.016 -5.448 1.00 0.00 C ATOM 1123 O GLY A 70 0.906 -10.375 -6.176 1.00 0.00 O ATOM 0 H GLY A 70 2.830 -12.621 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.360 -10.806 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.851 -10.637 -5.836 1.00 0.00 H new ATOM 1127 N TYR A 71 1.858 -8.838 -4.840 1.00 0.00 N ATOM 1128 CA TYR A 71 0.774 -7.871 -4.992 1.00 0.00 C ATOM 1129 C TYR A 71 1.327 -6.463 -5.175 1.00 0.00 C ATOM 1130 O TYR A 71 2.202 -6.027 -4.426 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.117 -7.901 -3.749 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.941 -9.166 -3.734 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.375 -10.369 -3.295 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.279 -9.132 -4.147 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.148 -11.539 -3.270 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.049 -10.300 -4.123 1.00 0.00 C ATOM 1137 CZ TYR A 71 -2.484 -11.502 -3.684 1.00 0.00 C ATOM 1138 OH TYR A 71 -3.251 -12.650 -3.652 1.00 0.00 O ATOM 0 H TYR A 71 2.619 -8.527 -4.236 1.00 0.00 H new ATOM 0 HA TYR A 71 0.195 -8.140 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.497 -7.847 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.773 -7.030 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.656 -10.396 -2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.716 -8.204 -4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.712 -12.468 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.080 -10.274 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.155 -12.448 -3.972 1.00 0.00 H new ATOM 1148 N GLU A 72 0.791 -5.747 -6.161 1.00 0.00 N ATOM 1149 CA GLU A 72 1.216 -4.372 -6.419 1.00 0.00 C ATOM 1150 C GLU A 72 0.303 -3.429 -5.648 1.00 0.00 C ATOM 1151 O GLU A 72 -0.871 -3.727 -5.457 1.00 0.00 O ATOM 1152 CB GLU A 72 1.151 -4.058 -7.930 1.00 0.00 C ATOM 1153 CG GLU A 72 1.268 -5.354 -8.728 1.00 0.00 C ATOM 1154 CD GLU A 72 1.596 -5.054 -10.184 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.390 -3.926 -10.600 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.039 -5.963 -10.867 1.00 0.00 O ATOM 0 H GLU A 72 0.067 -6.092 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 72 2.248 -4.242 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.213 -3.556 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.956 -3.376 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.045 -5.985 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.333 -5.912 -8.667 1.00 0.00 H new ATOM 1163 N VAL A 73 0.842 -2.299 -5.209 1.00 0.00 N ATOM 1164 CA VAL A 73 0.055 -1.318 -4.457 1.00 0.00 C ATOM 1165 C VAL A 73 0.251 0.068 -5.049 1.00 0.00 C ATOM 1166 O VAL A 73 1.370 0.472 -5.353 1.00 0.00 O ATOM 1167 CB VAL A 73 0.474 -1.320 -2.984 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.631 -0.679 -2.129 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.711 -2.764 -2.536 1.00 0.00 C ATOM 0 H VAL A 73 1.816 -2.036 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.999 -1.588 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 73 1.391 -0.745 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.329 -0.682 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.795 0.348 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.554 -1.247 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.010 -2.775 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.208 -3.338 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.500 -3.208 -3.143 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.849 0.788 -5.224 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.806 2.131 -5.793 1.00 0.00 C ATOM 1181 C GLN A 74 -1.464 3.120 -4.842 1.00 0.00 C ATOM 1182 O GLN A 74 -2.680 3.117 -4.659 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.519 2.112 -7.142 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.498 3.501 -7.780 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.208 3.461 -9.129 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -3.421 3.262 -9.186 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -1.518 3.619 -10.226 1.00 0.00 N ATOM 0 H GLN A 74 -1.785 0.465 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 74 0.227 2.446 -5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.036 1.394 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.549 1.782 -7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.987 4.220 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.469 3.836 -7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.513 3.784 -10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.984 3.578 -11.132 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.630 3.949 -4.225 1.00 0.00 N ATOM 1197 CA ILE A 75 -1.088 4.942 -3.259 1.00 0.00 C ATOM 1198 C ILE A 75 -1.343 6.282 -3.935 1.00 0.00 C ATOM 1199 O ILE A 75 -0.532 6.761 -4.718 1.00 0.00 O ATOM 1200 CB ILE A 75 -0.016 5.102 -2.152 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.202 4.034 -1.071 1.00 0.00 C ATOM 1202 CG2 ILE A 75 -0.090 6.485 -1.490 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.248 2.679 -1.603 1.00 0.00 C ATOM 0 H ILE A 75 0.378 3.953 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.027 4.603 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 75 0.957 4.989 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.375 4.297 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.248 3.987 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.677 6.561 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.074 7.257 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.073 6.620 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.114 1.922 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.348 2.415 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.300 2.729 -1.883 1.00 0.00 H new ATOM 1215 N THR A 76 -2.460 6.905 -3.582 1.00 0.00 N ATOM 1216 CA THR A 76 -2.789 8.225 -4.114 1.00 0.00 C ATOM 1217 C THR A 76 -3.306 9.099 -2.979 1.00 0.00 C ATOM 1218 O THR A 76 -4.334 8.809 -2.375 1.00 0.00 O ATOM 1219 CB THR A 76 -3.828 8.133 -5.237 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.561 6.989 -6.036 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.749 9.388 -6.113 1.00 0.00 C ATOM 0 H THR A 76 -3.150 6.523 -2.935 1.00 0.00 H new ATOM 0 HA THR A 76 -1.889 8.668 -4.542 1.00 0.00 H new ATOM 0 HB THR A 76 -4.824 8.053 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.226 6.929 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.488 9.322 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.950 10.270 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.752 9.467 -6.547 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.574 10.163 -2.689 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.941 11.076 -1.613 1.00 0.00 C ATOM 1231 C ALA A 77 -3.847 12.174 -2.174 1.00 0.00 C ATOM 1232 O ALA A 77 -3.498 12.814 -3.164 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.642 11.663 -1.029 1.00 0.00 C ATOM 0 H ALA A 77 -1.719 10.418 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.488 10.562 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.885 12.352 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.019 10.856 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.101 12.198 -1.810 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.024 12.378 -1.566 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.971 13.386 -2.062 1.00 0.00 C ATOM 1241 C ALA A 78 -6.037 14.616 -1.166 1.00 0.00 C ATOM 1242 O ALA A 78 -6.535 14.563 -0.044 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.367 12.767 -2.175 1.00 0.00 C ATOM 0 H ALA A 78 -5.340 11.867 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.615 13.710 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.068 13.516 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.337 11.926 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.691 12.418 -1.194 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.565 15.745 -1.699 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.596 17.016 -0.978 1.00 0.00 C ATOM 1251 C ASN A 79 -6.532 17.972 -1.706 1.00 0.00 C ATOM 1252 O ASN A 79 -7.303 17.561 -2.574 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.171 17.617 -0.887 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.308 17.127 -2.047 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -2.096 16.984 -1.899 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -3.863 16.861 -3.197 1.00 0.00 N ATOM 0 H ASN A 79 -5.155 15.803 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.959 16.854 0.037 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.227 18.705 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.711 17.335 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.291 16.534 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.869 16.980 -3.318 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.454 19.242 -1.358 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.292 20.247 -1.995 1.00 0.00 C ATOM 1265 C ARG A 80 -7.208 20.105 -3.514 1.00 0.00 C ATOM 1266 O ARG A 80 -8.179 20.353 -4.228 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.828 21.646 -1.583 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.885 22.676 -1.982 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.413 24.075 -1.585 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.481 25.047 -1.797 1.00 0.00 N ATOM 1271 CZ ARG A 80 -8.291 26.338 -1.552 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -7.133 26.753 -1.115 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -9.256 27.191 -1.755 1.00 0.00 N ATOM 0 H ARG A 80 -5.824 19.604 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.325 20.103 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.659 21.682 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.878 21.881 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.062 22.632 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.832 22.448 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.109 24.081 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.538 24.352 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.388 24.729 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.377 26.086 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.985 27.744 -0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.159 26.867 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.108 28.182 -1.566 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.037 19.696 -3.999 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.832 19.517 -5.434 1.00 0.00 C ATOM 1289 C LEU A 81 -6.730 18.394 -5.944 1.00 0.00 C ATOM 1290 O LEU A 81 -7.341 18.498 -7.008 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.365 19.157 -5.721 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.463 20.401 -5.628 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.746 21.377 -6.785 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.693 21.098 -4.284 1.00 0.00 C ATOM 0 H LEU A 81 -5.222 19.484 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.080 20.449 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.026 18.404 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.283 18.717 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.423 20.083 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.095 22.247 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.556 20.879 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.787 21.697 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.055 21.979 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.737 21.400 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.451 20.412 -3.472 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.795 17.313 -5.166 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.604 16.146 -5.515 1.00 0.00 C ATOM 1308 C GLY A 82 -6.762 14.877 -5.438 1.00 0.00 C ATOM 1309 O GLY A 82 -7.161 13.888 -4.824 1.00 0.00 O ATOM 0 H GLY A 82 -6.292 17.222 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.454 16.068 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.008 16.262 -6.521 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.590 14.926 -6.058 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.666 13.795 -6.053 1.00 0.00 C ATOM 1315 C TYR A 83 -3.248 14.319 -6.241 1.00 0.00 C ATOM 1316 O TYR A 83 -3.021 15.222 -7.047 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.021 12.806 -7.168 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.523 12.690 -7.274 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.213 11.750 -6.498 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.225 13.528 -8.147 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.607 11.650 -6.598 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.617 13.427 -8.245 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.308 12.489 -7.472 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.681 12.393 -7.571 1.00 0.00 O ATOM 0 H TYR A 83 -5.254 15.740 -6.573 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.740 13.268 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.603 13.144 -8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.584 11.830 -6.957 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.671 11.103 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.693 14.253 -8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.141 10.926 -6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.159 14.075 -8.919 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.009 13.048 -8.222 1.00 0.00 H new ATOM 1334 N SER A 84 -2.296 13.779 -5.488 1.00 0.00 N ATOM 1335 CA SER A 84 -0.919 14.247 -5.598 1.00 0.00 C ATOM 1336 C SER A 84 0.067 13.231 -5.051 1.00 0.00 C ATOM 1337 O SER A 84 -0.301 12.309 -4.324 1.00 0.00 O ATOM 1338 CB SER A 84 -0.758 15.563 -4.836 1.00 0.00 C ATOM 1339 OG SER A 84 -1.548 16.568 -5.460 1.00 0.00 O ATOM 0 H SER A 84 -2.446 13.033 -4.809 1.00 0.00 H new ATOM 0 HA SER A 84 -0.705 14.394 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.065 15.435 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.290 15.863 -4.824 1.00 0.00 H new ATOM 0 HG SER A 84 -1.864 16.243 -6.329 1.00 0.00 H new ATOM 1345 N GLU A 85 1.329 13.434 -5.409 1.00 0.00 N ATOM 1346 CA GLU A 85 2.414 12.572 -4.968 1.00 0.00 C ATOM 1347 C GLU A 85 1.975 11.118 -4.811 1.00 0.00 C ATOM 1348 O GLU A 85 2.097 10.538 -3.732 1.00 0.00 O ATOM 1349 CB GLU A 85 2.984 13.096 -3.647 1.00 0.00 C ATOM 1350 CG GLU A 85 1.862 13.281 -2.623 1.00 0.00 C ATOM 1351 CD GLU A 85 2.455 13.546 -1.245 1.00 0.00 C ATOM 1352 OE1 GLU A 85 3.590 13.986 -1.184 1.00 0.00 O ATOM 1353 OE2 GLU A 85 1.765 13.304 -0.268 1.00 0.00 O ATOM 0 H GLU A 85 1.627 14.200 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 85 3.184 12.592 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.727 12.398 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.494 14.045 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.222 14.112 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.235 12.390 -2.593 1.00 0.00 H new ATOM 1360 N PRO A 86 1.498 10.511 -5.869 1.00 0.00 N ATOM 1361 CA PRO A 86 1.071 9.082 -5.838 1.00 0.00 C ATOM 1362 C PRO A 86 2.283 8.181 -5.629 1.00 0.00 C ATOM 1363 O PRO A 86 3.398 8.543 -6.003 1.00 0.00 O ATOM 1364 CB PRO A 86 0.427 8.865 -7.215 1.00 0.00 C ATOM 1365 CG PRO A 86 1.064 9.885 -8.100 1.00 0.00 C ATOM 1366 CD PRO A 86 1.320 11.103 -7.208 1.00 0.00 C ATOM 0 HA PRO A 86 0.383 8.847 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.609 7.855 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.654 8.999 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.994 9.508 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.412 10.141 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.205 11.655 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.484 11.802 -7.231 1.00 0.00 H new ATOM 1374 N THR A 87 2.068 7.015 -5.024 1.00 0.00 N ATOM 1375 CA THR A 87 3.156 6.077 -4.765 1.00 0.00 C ATOM 1376 C THR A 87 2.848 4.720 -5.365 1.00 0.00 C ATOM 1377 O THR A 87 1.979 3.994 -4.884 1.00 0.00 O ATOM 1378 CB THR A 87 3.384 5.930 -3.240 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.521 6.811 -2.548 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.820 6.258 -2.876 1.00 0.00 C ATOM 0 H THR A 87 1.152 6.698 -4.705 1.00 0.00 H new ATOM 0 HA THR A 87 4.061 6.470 -5.229 1.00 0.00 H new ATOM 0 HB THR A 87 3.175 4.898 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.663 6.717 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.957 6.148 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.492 5.578 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.044 7.284 -3.167 1.00 0.00 H new ATOM 1388 N VAL A 88 3.599 4.365 -6.392 1.00 0.00 N ATOM 1389 CA VAL A 88 3.436 3.069 -7.025 1.00 0.00 C ATOM 1390 C VAL A 88 4.429 2.100 -6.409 1.00 0.00 C ATOM 1391 O VAL A 88 5.595 2.054 -6.799 1.00 0.00 O ATOM 1392 CB VAL A 88 3.665 3.174 -8.534 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.543 1.786 -9.166 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.608 4.099 -9.143 1.00 0.00 C ATOM 0 H VAL A 88 4.324 4.952 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 88 2.419 2.710 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 88 4.660 3.576 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.706 1.860 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.289 1.121 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.547 1.386 -8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.768 4.176 -10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.615 3.692 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.687 5.088 -8.692 1.00 0.00 H new ATOM 1404 N TYR A 89 3.956 1.340 -5.424 1.00 0.00 N ATOM 1405 CA TYR A 89 4.807 0.378 -4.719 1.00 0.00 C ATOM 1406 C TYR A 89 4.538 -1.041 -5.212 1.00 0.00 C ATOM 1407 O TYR A 89 3.387 -1.434 -5.389 1.00 0.00 O ATOM 1408 CB TYR A 89 4.547 0.463 -3.213 1.00 0.00 C ATOM 1409 CG TYR A 89 5.374 -0.576 -2.482 1.00 0.00 C ATOM 1410 CD1 TYR A 89 6.774 -0.581 -2.596 1.00 0.00 C ATOM 1411 CD2 TYR A 89 4.737 -1.536 -1.683 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.528 -1.544 -1.919 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.497 -2.497 -1.006 1.00 0.00 C ATOM 1414 CZ TYR A 89 6.891 -2.502 -1.124 1.00 0.00 C ATOM 1415 OH TYR A 89 7.635 -3.454 -0.456 1.00 0.00 O ATOM 0 H TYR A 89 2.991 1.370 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 89 5.850 0.623 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.796 1.460 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.488 0.305 -3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.268 0.160 -3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.661 -1.534 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.604 -1.548 -2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.006 -3.237 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 89 7.132 -4.294 -0.418 1.00 0.00 H new ATOM 1425 N GLU A 90 5.605 -1.812 -5.435 1.00 0.00 N ATOM 1426 CA GLU A 90 5.469 -3.191 -5.911 1.00 0.00 C ATOM 1427 C GLU A 90 6.445 -4.116 -5.186 1.00 0.00 C ATOM 1428 O GLU A 90 7.620 -3.791 -5.018 1.00 0.00 O ATOM 1429 CB GLU A 90 5.726 -3.252 -7.420 1.00 0.00 C ATOM 1430 CG GLU A 90 6.988 -2.457 -7.766 1.00 0.00 C ATOM 1431 CD GLU A 90 7.414 -2.756 -9.199 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.779 -3.891 -9.461 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.365 -1.848 -10.012 1.00 0.00 O ATOM 0 H GLU A 90 6.568 -1.507 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 90 4.453 -3.525 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.840 -4.289 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.871 -2.846 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.799 -1.390 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.792 -2.716 -7.077 1.00 0.00 H new ATOM 1440 N PHE A 91 5.948 -5.272 -4.760 1.00 0.00 N ATOM 1441 CA PHE A 91 6.783 -6.243 -4.058 1.00 0.00 C ATOM 1442 C PHE A 91 6.133 -7.621 -4.069 1.00 0.00 C ATOM 1443 O PHE A 91 4.909 -7.740 -4.129 1.00 0.00 O ATOM 1444 CB PHE A 91 7.006 -5.787 -2.611 1.00 0.00 C ATOM 1445 CG PHE A 91 5.722 -5.936 -1.817 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.619 -5.130 -2.117 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.638 -6.881 -0.784 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.432 -5.265 -1.385 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.451 -7.014 -0.052 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.348 -6.207 -0.353 1.00 0.00 C ATOM 0 H PHE A 91 4.978 -5.560 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 91 7.743 -6.308 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.798 -6.379 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.335 -4.748 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.682 -4.403 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.488 -7.506 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.581 -4.642 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.387 -7.740 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.433 -6.311 0.211 1.00 0.00 H new ATOM 1460 N SER A 92 6.961 -8.664 -3.991 1.00 0.00 N ATOM 1461 CA SER A 92 6.458 -10.036 -3.969 1.00 0.00 C ATOM 1462 C SER A 92 6.415 -10.552 -2.535 1.00 0.00 C ATOM 1463 O SER A 92 6.909 -9.894 -1.618 1.00 0.00 O ATOM 1464 CB SER A 92 7.334 -10.939 -4.856 1.00 0.00 C ATOM 1465 OG SER A 92 8.643 -10.390 -4.940 1.00 0.00 O ATOM 0 H SER A 92 7.977 -8.585 -3.942 1.00 0.00 H new ATOM 0 HA SER A 92 5.444 -10.052 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.376 -11.946 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.898 -11.023 -5.852 1.00 0.00 H new ATOM 0 HG SER A 92 9.203 -10.964 -5.503 1.00 0.00 H new ATOM 1471 N MET A 93 5.802 -11.721 -2.336 1.00 0.00 N ATOM 1472 CA MET A 93 5.681 -12.297 -0.996 1.00 0.00 C ATOM 1473 C MET A 93 6.643 -13.476 -0.804 1.00 0.00 C ATOM 1474 O MET A 93 6.873 -14.249 -1.733 1.00 0.00 O ATOM 1475 CB MET A 93 4.258 -12.805 -0.793 1.00 0.00 C ATOM 1476 CG MET A 93 3.292 -11.628 -0.664 1.00 0.00 C ATOM 1477 SD MET A 93 1.808 -12.207 0.164 1.00 0.00 S ATOM 1478 CE MET A 93 2.361 -11.916 1.861 1.00 0.00 C ATOM 0 H MET A 93 5.385 -12.283 -3.079 1.00 0.00 H new ATOM 0 HA MET A 93 5.927 -11.519 -0.274 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.965 -13.435 -1.633 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.209 -13.425 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.752 -10.819 -0.097 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.047 -11.228 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.919 -12.662 2.521 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.448 -11.989 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.051 -10.921 2.179 1.00 0.00 H new ATOM 1488 N PRO A 94 7.173 -13.658 0.387 1.00 0.00 N ATOM 1489 CA PRO A 94 8.084 -14.803 0.691 1.00 0.00 C ATOM 1490 C PRO A 94 7.288 -16.095 0.872 1.00 0.00 C ATOM 1491 O PRO A 94 6.084 -16.053 1.111 1.00 0.00 O ATOM 1492 CB PRO A 94 8.735 -14.382 2.011 1.00 0.00 C ATOM 1493 CG PRO A 94 7.686 -13.561 2.689 1.00 0.00 C ATOM 1494 CD PRO A 94 6.977 -12.798 1.573 1.00 0.00 C ATOM 0 HA PRO A 94 8.804 -15.003 -0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.014 -15.248 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.644 -13.806 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.987 -14.193 3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.130 -12.876 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.919 -12.655 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.409 -11.808 1.427 1.00 0.00 H new ATOM 1502 N PRO A 95 7.928 -17.229 0.785 1.00 0.00 N ATOM 1503 CA PRO A 95 7.244 -18.543 0.972 1.00 0.00 C ATOM 1504 C PRO A 95 6.756 -18.703 2.412 1.00 0.00 C ATOM 1505 O PRO A 95 7.290 -18.069 3.323 1.00 0.00 O ATOM 1506 CB PRO A 95 8.332 -19.570 0.619 1.00 0.00 C ATOM 1507 CG PRO A 95 9.621 -18.856 0.875 1.00 0.00 C ATOM 1508 CD PRO A 95 9.365 -17.397 0.501 1.00 0.00 C ATOM 0 HA PRO A 95 6.353 -18.656 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.246 -20.466 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.255 -19.888 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.918 -18.946 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.428 -19.278 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.976 -16.715 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.595 -17.203 -0.547 1.00 0.00 H new ATOM 1516 N LYS A 96 5.732 -19.535 2.610 1.00 0.00 N ATOM 1517 CA LYS A 96 5.174 -19.750 3.949 1.00 0.00 C ATOM 1518 C LYS A 96 6.294 -19.769 5.004 1.00 0.00 C ATOM 1519 O LYS A 96 7.302 -20.449 4.813 1.00 0.00 O ATOM 1520 CB LYS A 96 4.403 -21.084 3.983 1.00 0.00 C ATOM 1521 CG LYS A 96 3.768 -21.331 5.374 1.00 0.00 C ATOM 1522 CD LYS A 96 2.416 -20.595 5.487 1.00 0.00 C ATOM 1523 CE LYS A 96 1.287 -21.458 4.904 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.157 -20.578 4.494 1.00 0.00 N ATOM 0 H LYS A 96 5.275 -20.067 1.869 1.00 0.00 H new ATOM 0 HA LYS A 96 4.493 -18.931 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.623 -21.076 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.079 -21.904 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.621 -22.400 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.444 -20.985 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.205 -20.366 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.467 -19.644 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.652 -22.024 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.949 -22.183 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.356 -21.017 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.491 -20.448 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.528 -19.653 4.195 1.00 0.00 H new ATOM 1538 N PRO A 97 6.155 -19.050 6.102 1.00 0.00 N ATOM 1539 CA PRO A 97 7.208 -19.023 7.160 1.00 0.00 C ATOM 1540 C PRO A 97 7.345 -20.358 7.894 1.00 0.00 C ATOM 1541 O PRO A 97 6.362 -21.072 8.101 1.00 0.00 O ATOM 1542 CB PRO A 97 6.741 -17.909 8.111 1.00 0.00 C ATOM 1543 CG PRO A 97 5.261 -17.851 7.935 1.00 0.00 C ATOM 1544 CD PRO A 97 5.002 -18.193 6.470 1.00 0.00 C ATOM 0 HA PRO A 97 8.198 -18.844 6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.008 -18.133 9.144 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.206 -16.955 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.761 -18.559 8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.877 -16.861 8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.055 -18.718 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.955 -17.297 5.851 1.00 0.00 H new ATOM 1552 N ASN A 98 8.573 -20.668 8.298 1.00 0.00 N ATOM 1553 CA ASN A 98 8.865 -21.898 9.033 1.00 0.00 C ATOM 1554 C ASN A 98 9.957 -21.617 10.058 1.00 0.00 C ATOM 1555 O ASN A 98 9.865 -22.031 11.215 1.00 0.00 O ATOM 1556 CB ASN A 98 9.319 -22.998 8.070 1.00 0.00 C ATOM 1557 CG ASN A 98 9.257 -24.354 8.764 1.00 0.00 C ATOM 1558 OD1 ASN A 98 8.469 -24.544 9.690 1.00 0.00 O ATOM 1559 ND2 ASN A 98 10.050 -25.316 8.372 1.00 0.00 N ATOM 0 H ASN A 98 9.389 -20.080 8.128 1.00 0.00 H new ATOM 0 HA ASN A 98 7.963 -22.238 9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.683 -23.003 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.336 -22.800 7.731 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.016 -26.225 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.703 -25.158 7.604 1.00 0.00 H new ATOM 1566 N ILE A 99 10.975 -20.883 9.621 1.00 0.00 N ATOM 1567 CA ILE A 99 12.086 -20.503 10.491 1.00 0.00 C ATOM 1568 C ILE A 99 11.786 -19.157 11.139 1.00 0.00 C ATOM 1569 O ILE A 99 12.531 -18.682 11.992 1.00 0.00 O ATOM 1570 CB ILE A 99 13.372 -20.417 9.666 1.00 0.00 C ATOM 1571 CG1 ILE A 99 13.171 -19.426 8.514 1.00 0.00 C ATOM 1572 CG2 ILE A 99 13.702 -21.797 9.098 1.00 0.00 C ATOM 1573 CD1 ILE A 99 14.480 -19.267 7.736 1.00 0.00 C ATOM 0 H ILE A 99 11.055 -20.537 8.665 1.00 0.00 H new ATOM 0 HA ILE A 99 12.215 -21.252 11.272 1.00 0.00 H new ATOM 0 HB ILE A 99 14.192 -20.078 10.300 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.383 -19.781 7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.849 -18.460 8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 99 14.618 -21.739 8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 99 13.841 -22.504 9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.883 -22.134 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.334 -18.562 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 99 15.257 -18.893 8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.783 -20.233 7.332 1.00 0.00 H new ATOM 1585 N ILE A 100 10.669 -18.569 10.707 1.00 0.00 N ATOM 1586 CA ILE A 100 10.189 -17.273 11.195 1.00 0.00 C ATOM 1587 C ILE A 100 11.301 -16.224 11.324 1.00 0.00 C ATOM 1588 O ILE A 100 12.312 -16.412 11.996 1.00 0.00 O ATOM 1589 CB ILE A 100 9.427 -17.424 12.519 1.00 0.00 C ATOM 1590 CG1 ILE A 100 10.323 -18.020 13.605 1.00 0.00 C ATOM 1591 CG2 ILE A 100 8.225 -18.341 12.296 1.00 0.00 C ATOM 1592 CD1 ILE A 100 9.596 -17.961 14.950 1.00 0.00 C ATOM 0 H ILE A 100 10.064 -18.984 9.999 1.00 0.00 H new ATOM 0 HA ILE A 100 9.501 -16.903 10.435 1.00 0.00 H new ATOM 0 HB ILE A 100 9.100 -16.438 12.849 1.00 0.00 H new ATOM 0 HG12 ILE A 100 10.574 -19.052 13.359 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.261 -17.468 13.661 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.676 -18.455 13.231 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.570 -17.905 11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.570 -19.317 11.956 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.232 -18.385 15.727 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.367 -16.924 15.195 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.669 -18.532 14.888 1.00 0.00 H new ATOM 1604 N LYS A 101 11.072 -15.101 10.665 1.00 0.00 N ATOM 1605 CA LYS A 101 12.007 -13.982 10.681 1.00 0.00 C ATOM 1606 C LYS A 101 11.412 -12.795 9.928 1.00 0.00 C ATOM 1607 O LYS A 101 11.103 -12.898 8.740 1.00 0.00 O ATOM 1608 CB LYS A 101 13.343 -14.380 10.036 1.00 0.00 C ATOM 1609 CG LYS A 101 14.439 -13.409 10.488 1.00 0.00 C ATOM 1610 CD LYS A 101 15.799 -13.885 9.970 1.00 0.00 C ATOM 1611 CE LYS A 101 15.893 -13.676 8.454 1.00 0.00 C ATOM 1612 NZ LYS A 101 17.324 -13.693 8.037 1.00 0.00 N ATOM 0 H LYS A 101 10.236 -14.936 10.104 1.00 0.00 H new ATOM 0 HA LYS A 101 12.188 -13.703 11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.606 -15.399 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.254 -14.364 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.227 -12.407 10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.456 -13.346 11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.598 -13.338 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.938 -14.940 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.342 -14.459 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.434 -12.727 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.388 -13.551 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.837 -12.930 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.748 -14.609 8.287 1.00 0.00 H new ATOM 1626 N ASP A 102 11.251 -11.669 10.618 1.00 0.00 N ATOM 1627 CA ASP A 102 10.690 -10.472 9.992 1.00 0.00 C ATOM 1628 C ASP A 102 11.790 -9.647 9.332 1.00 0.00 C ATOM 1629 O ASP A 102 11.942 -8.495 9.701 1.00 0.00 O ATOM 1630 CB ASP A 102 9.969 -9.620 11.038 1.00 0.00 C ATOM 1631 CG ASP A 102 10.877 -9.378 12.240 1.00 0.00 C ATOM 1632 OD1 ASP A 102 11.994 -8.932 12.036 1.00 0.00 O ATOM 1633 OD2 ASP A 102 10.441 -9.642 13.349 1.00 0.00 O ATOM 0 H ASP A 102 11.498 -11.559 11.602 1.00 0.00 H new ATOM 0 HA ASP A 102 9.978 -10.786 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.673 -8.667 10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.056 -10.121 11.358 1.00 0.00 H new TER 1638 ASP A 102