USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1081 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 77 HIS : no HD1:sc= 0.894 K(o=2,f=-2.9) USER MOD Set 1.2: B 159 THR OG1 : rot -71:sc= 1.12 USER MOD Set 2.1: A 44 LYS NZ :NH3+ -177:sc= 1.13 (180deg=0) USER MOD Set 2.2: A 45 SER OG : rot -6:sc= 2.02 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ -162:sc= -0.129 (180deg=-0.456) USER MOD Single : A 5 THR OG1 : rot -47:sc= 0.287 USER MOD Single : A 7 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -102:sc= 0.135 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0215 (180deg=-0.158) USER MOD Single : A 17 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -170:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0115 (180deg=-0.171) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= -6.83! (180deg=-7.12!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 42 GLN : amide:sc= -3.67! C(o=-3.7!,f=-8.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -179:sc= -1.83! (180deg=-1.91!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 66 SER OG : rot 124:sc= 1.09 USER MOD Single : A 68 ASN : amide:sc= -0.962 K(o=-0.96,f=-7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 71 CYS SG : rot 90:sc= -1.52 USER MOD Single : A 75 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-5!) USER MOD Single : A 76 THR OG1 : rot -63:sc= 0.209 USER MOD Single : A 79 GLN : amide:sc= -0.0555 X(o=-0.055,f=-0.055) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc=-0.00283 (180deg=-0.102) USER MOD Single : A 85 GLN : amide:sc= -0.515! C(o=-0.52!,f=-6.3!) USER MOD Single : A 86 SER OG : rot 72:sc= 1.2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -8:sc= 0.0792 USER MOD Single : A 101 TYR OH : rot -63:sc= 0.0419 USER MOD Single : A 111 ASN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 112 THR OG1 : rot -109:sc= 1.09 USER MOD Single : A 113 SER OG : rot 96:sc= 1.03 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= -0.0538 (180deg=-0.308) USER MOD Single : B 152 SER OG : rot 14:sc= 0.995 USER MOD Single : B 153 SER OG : rot -179:sc= -0.214 USER MOD Single : B 155 THR OG1 : rot -27:sc= 0.214 USER MOD Single : B 160 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 120.141 16.414 -21.578 1.00 0.00 N ATOM 2 CA GLY A -3 118.678 16.402 -21.536 1.00 0.00 C ATOM 3 C GLY A -3 118.183 16.908 -20.213 1.00 0.00 C ATOM 4 O GLY A -3 118.950 16.957 -19.239 1.00 0.00 O ATOM 0 H1 GLY A -3 120.466 17.236 -22.126 1.00 0.00 H new ATOM 0 H2 GLY A -3 120.516 16.473 -20.610 1.00 0.00 H new ATOM 0 H3 GLY A -3 120.483 15.541 -22.028 1.00 0.00 H new ATOM 0 HA2 GLY A -3 118.281 17.022 -22.340 1.00 0.00 H new ATOM 0 HA3 GLY A -3 118.312 15.389 -21.704 1.00 0.00 H new ATOM 10 N ALA A -2 116.937 17.321 -20.157 1.00 0.00 N ATOM 11 CA ALA A -2 116.355 17.788 -18.918 1.00 0.00 C ATOM 12 C ALA A -2 115.717 16.618 -18.207 1.00 0.00 C ATOM 13 O ALA A -2 115.778 16.497 -16.989 1.00 0.00 O ATOM 14 CB ALA A -2 115.336 18.887 -19.179 1.00 0.00 C ATOM 0 H ALA A -2 116.305 17.343 -20.957 1.00 0.00 H new ATOM 0 HA ALA A -2 117.136 18.213 -18.287 1.00 0.00 H new ATOM 0 HB1 ALA A -2 114.912 19.222 -18.232 1.00 0.00 H new ATOM 0 HB2 ALA A -2 115.824 19.726 -19.675 1.00 0.00 H new ATOM 0 HB3 ALA A -2 114.540 18.502 -19.817 1.00 0.00 H new ATOM 20 N MET A -1 115.143 15.744 -18.987 1.00 0.00 N ATOM 21 CA MET A -1 114.517 14.550 -18.489 1.00 0.00 C ATOM 22 C MET A -1 115.281 13.346 -18.979 1.00 0.00 C ATOM 23 O MET A -1 116.319 13.494 -19.640 1.00 0.00 O ATOM 24 CB MET A -1 113.052 14.481 -18.919 1.00 0.00 C ATOM 25 CG MET A -1 112.194 15.565 -18.312 1.00 0.00 C ATOM 26 SD MET A -1 110.493 15.516 -18.890 1.00 0.00 S ATOM 27 CE MET A -1 109.820 16.884 -17.956 1.00 0.00 C ATOM 0 H MET A -1 115.096 15.842 -20.001 1.00 0.00 H new ATOM 0 HA MET A -1 114.536 14.565 -17.399 1.00 0.00 H new ATOM 0 HB2 MET A -1 112.997 14.551 -20.005 1.00 0.00 H new ATOM 0 HB3 MET A -1 112.645 13.509 -18.641 1.00 0.00 H new ATOM 0 HG2 MET A -1 112.207 15.466 -17.227 1.00 0.00 H new ATOM 0 HG3 MET A -1 112.625 16.538 -18.549 1.00 0.00 H new ATOM 0 HE1 MET A -1 108.762 17.000 -18.192 1.00 0.00 H new ATOM 0 HE2 MET A -1 109.934 16.688 -16.890 1.00 0.00 H new ATOM 0 HE3 MET A -1 110.353 17.799 -18.216 1.00 0.00 H new ATOM 37 N GLY A 0 114.800 12.177 -18.653 1.00 0.00 N ATOM 38 CA GLY A 0 115.487 10.970 -19.017 1.00 0.00 C ATOM 39 C GLY A 0 116.428 10.565 -17.912 1.00 0.00 C ATOM 40 O GLY A 0 117.484 9.971 -18.153 1.00 0.00 O ATOM 0 H GLY A 0 113.933 12.036 -18.135 1.00 0.00 H new ATOM 0 HA2 GLY A 0 114.767 10.173 -19.204 1.00 0.00 H new ATOM 0 HA3 GLY A 0 116.042 11.122 -19.943 1.00 0.00 H new ATOM 44 N LYS A 1 116.060 10.934 -16.702 1.00 0.00 N ATOM 45 CA LYS A 1 116.824 10.647 -15.509 1.00 0.00 C ATOM 46 C LYS A 1 115.969 9.830 -14.568 1.00 0.00 C ATOM 47 O LYS A 1 114.735 9.837 -14.689 1.00 0.00 O ATOM 48 CB LYS A 1 117.232 11.947 -14.765 1.00 0.00 C ATOM 49 CG LYS A 1 118.337 12.790 -15.395 1.00 0.00 C ATOM 50 CD LYS A 1 117.891 13.537 -16.633 1.00 0.00 C ATOM 51 CE LYS A 1 118.995 14.437 -17.164 1.00 0.00 C ATOM 52 NZ LYS A 1 119.433 15.438 -16.157 1.00 0.00 N ATOM 0 H LYS A 1 115.202 11.454 -16.519 1.00 0.00 H new ATOM 0 HA LYS A 1 117.724 10.111 -15.808 1.00 0.00 H new ATOM 0 HB2 LYS A 1 116.345 12.572 -14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 1 117.546 11.676 -13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 1 118.702 13.507 -14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 1 119.175 12.143 -15.652 1.00 0.00 H new ATOM 0 HD2 LYS A 1 117.598 12.825 -17.404 1.00 0.00 H new ATOM 0 HD3 LYS A 1 117.011 14.136 -16.401 1.00 0.00 H new ATOM 0 HE2 LYS A 1 119.847 13.827 -17.462 1.00 0.00 H new ATOM 0 HE3 LYS A 1 118.643 14.952 -18.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 119.946 16.207 -16.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 118.601 15.827 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 120.059 14.981 -15.463 1.00 0.00 H new ATOM 66 N PRO A 2 116.597 9.076 -13.645 1.00 0.00 N ATOM 67 CA PRO A 2 115.870 8.395 -12.599 1.00 0.00 C ATOM 68 C PRO A 2 115.251 9.432 -11.692 1.00 0.00 C ATOM 69 O PRO A 2 115.908 10.402 -11.278 1.00 0.00 O ATOM 70 CB PRO A 2 116.915 7.575 -11.857 1.00 0.00 C ATOM 71 CG PRO A 2 118.221 8.175 -12.225 1.00 0.00 C ATOM 72 CD PRO A 2 118.045 8.823 -13.567 1.00 0.00 C ATOM 0 HA PRO A 2 115.068 7.759 -12.973 1.00 0.00 H new ATOM 0 HB2 PRO A 2 116.754 7.615 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 2 116.869 6.525 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 2 118.532 8.908 -11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 2 118.998 7.412 -12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 2 118.618 9.747 -13.644 1.00 0.00 H new ATOM 0 HD3 PRO A 2 118.382 8.172 -14.373 1.00 0.00 H new ATOM 80 N PHE A 3 114.029 9.232 -11.395 1.00 0.00 N ATOM 81 CA PHE A 3 113.235 10.198 -10.721 1.00 0.00 C ATOM 82 C PHE A 3 113.306 10.111 -9.211 1.00 0.00 C ATOM 83 O PHE A 3 113.711 9.091 -8.630 1.00 0.00 O ATOM 84 CB PHE A 3 111.795 10.167 -11.242 1.00 0.00 C ATOM 85 CG PHE A 3 111.242 8.793 -11.407 1.00 0.00 C ATOM 86 CD1 PHE A 3 110.866 8.066 -10.316 1.00 0.00 C ATOM 87 CD2 PHE A 3 111.105 8.235 -12.664 1.00 0.00 C ATOM 88 CE1 PHE A 3 110.366 6.809 -10.451 1.00 0.00 C ATOM 89 CE2 PHE A 3 110.599 6.963 -12.816 1.00 0.00 C ATOM 90 CZ PHE A 3 110.227 6.245 -11.703 1.00 0.00 C ATOM 0 H PHE A 3 113.531 8.370 -11.617 1.00 0.00 H new ATOM 0 HA PHE A 3 113.665 11.172 -10.956 1.00 0.00 H new ATOM 0 HB2 PHE A 3 111.158 10.724 -10.555 1.00 0.00 H new ATOM 0 HB3 PHE A 3 111.755 10.682 -12.202 1.00 0.00 H new ATOM 0 HD1 PHE A 3 110.967 8.495 -9.330 1.00 0.00 H new ATOM 0 HD2 PHE A 3 111.398 8.802 -13.536 1.00 0.00 H new ATOM 0 HE1 PHE A 3 110.076 6.249 -9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 3 110.495 6.533 -13.801 1.00 0.00 H new ATOM 0 HZ PHE A 3 109.829 5.247 -11.808 1.00 0.00 H new ATOM 100 N PHE A 4 113.036 11.233 -8.623 1.00 0.00 N ATOM 101 CA PHE A 4 112.941 11.413 -7.198 1.00 0.00 C ATOM 102 C PHE A 4 111.923 12.505 -6.873 1.00 0.00 C ATOM 103 O PHE A 4 111.918 13.566 -7.504 1.00 0.00 O ATOM 104 CB PHE A 4 114.298 11.794 -6.571 1.00 0.00 C ATOM 105 CG PHE A 4 114.150 12.502 -5.241 1.00 0.00 C ATOM 106 CD1 PHE A 4 113.980 11.800 -4.066 1.00 0.00 C ATOM 107 CD2 PHE A 4 114.087 13.895 -5.199 1.00 0.00 C ATOM 108 CE1 PHE A 4 113.763 12.475 -2.885 1.00 0.00 C ATOM 109 CE2 PHE A 4 113.859 14.559 -4.034 1.00 0.00 C ATOM 110 CZ PHE A 4 113.698 13.854 -2.866 1.00 0.00 C ATOM 0 H PHE A 4 112.867 12.094 -9.143 1.00 0.00 H new ATOM 0 HA PHE A 4 112.623 10.460 -6.776 1.00 0.00 H new ATOM 0 HB2 PHE A 4 114.896 10.893 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 4 114.845 12.437 -7.261 1.00 0.00 H new ATOM 0 HD1 PHE A 4 114.017 10.721 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 4 114.222 14.458 -6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 4 113.643 11.921 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 4 113.805 15.638 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 4 113.521 14.376 -1.937 1.00 0.00 H new ATOM 120 N THR A 5 111.090 12.222 -5.926 1.00 0.00 N ATOM 121 CA THR A 5 110.205 13.181 -5.301 1.00 0.00 C ATOM 122 C THR A 5 109.468 12.508 -4.116 1.00 0.00 C ATOM 123 O THR A 5 108.339 12.869 -3.781 1.00 0.00 O ATOM 124 CB THR A 5 109.217 13.826 -6.330 1.00 0.00 C ATOM 125 OG1 THR A 5 108.465 14.923 -5.747 1.00 0.00 O ATOM 126 CG2 THR A 5 108.261 12.801 -6.908 1.00 0.00 C ATOM 0 H THR A 5 110.995 11.281 -5.543 1.00 0.00 H new ATOM 0 HA THR A 5 110.801 14.006 -4.911 1.00 0.00 H new ATOM 0 HB THR A 5 109.833 14.222 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.104 14.647 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.592 13.287 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 5 108.828 12.022 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.676 12.355 -6.104 1.00 0.00 H new ATOM 134 N ARG A 6 110.131 11.458 -3.549 1.00 0.00 N ATOM 135 CA ARG A 6 109.749 10.695 -2.305 1.00 0.00 C ATOM 136 C ARG A 6 108.368 10.074 -2.337 1.00 0.00 C ATOM 137 O ARG A 6 107.808 9.648 -1.320 1.00 0.00 O ATOM 138 CB ARG A 6 109.952 11.530 -1.074 1.00 0.00 C ATOM 139 CG ARG A 6 108.970 12.653 -0.878 1.00 0.00 C ATOM 140 CD ARG A 6 109.494 13.556 0.148 1.00 0.00 C ATOM 141 NE ARG A 6 108.608 14.679 0.449 1.00 0.00 N ATOM 142 CZ ARG A 6 108.801 15.545 1.451 1.00 0.00 C ATOM 143 NH1 ARG A 6 109.815 15.376 2.286 1.00 0.00 N ATOM 144 NH2 ARG A 6 107.975 16.563 1.622 1.00 0.00 N ATOM 0 H ARG A 6 110.991 11.097 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 6 110.431 9.845 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 6 109.907 10.877 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 6 110.957 11.952 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 6 108.818 13.191 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 6 108.000 12.259 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 6 109.672 12.989 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 6 110.459 13.943 -0.179 1.00 0.00 H new ATOM 0 HE ARG A 6 107.789 14.811 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 6 110.449 14.586 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 6 109.962 16.036 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 6 107.186 16.691 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 6 108.127 17.220 2.387 1.00 0.00 H new ATOM 158 N ASN A 7 107.852 10.040 -3.465 1.00 0.00 N ATOM 159 CA ASN A 7 106.557 9.447 -3.720 1.00 0.00 C ATOM 160 C ASN A 7 106.640 7.990 -4.128 1.00 0.00 C ATOM 161 O ASN A 7 107.286 7.624 -5.107 1.00 0.00 O ATOM 162 CB ASN A 7 105.783 10.214 -4.789 1.00 0.00 C ATOM 163 CG ASN A 7 104.937 11.329 -4.227 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.800 11.110 -3.841 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.462 12.507 -4.198 1.00 0.00 N ATOM 0 H ASN A 7 108.299 10.426 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 7 106.027 9.506 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.487 10.629 -5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.142 9.520 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.923 13.297 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.416 12.648 -4.530 1.00 0.00 H new ATOM 172 N PRO A 8 105.927 7.109 -3.395 1.00 0.00 N ATOM 173 CA PRO A 8 105.800 5.703 -3.779 1.00 0.00 C ATOM 174 C PRO A 8 105.159 5.629 -5.106 1.00 0.00 C ATOM 175 O PRO A 8 105.384 4.722 -5.900 1.00 0.00 O ATOM 176 CB PRO A 8 104.754 5.156 -2.861 1.00 0.00 C ATOM 177 CG PRO A 8 104.474 6.148 -1.806 1.00 0.00 C ATOM 178 CD PRO A 8 105.217 7.408 -2.130 1.00 0.00 C ATOM 0 HA PRO A 8 106.767 5.200 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 8 103.844 4.932 -3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.095 4.220 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.404 6.344 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.784 5.765 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.536 8.251 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.916 7.671 -1.336 1.00 0.00 H new ATOM 186 N SER A 9 104.311 6.588 -5.291 1.00 0.00 N ATOM 187 CA SER A 9 103.535 6.710 -6.410 1.00 0.00 C ATOM 188 C SER A 9 104.395 7.062 -7.655 1.00 0.00 C ATOM 189 O SER A 9 103.987 6.796 -8.795 1.00 0.00 O ATOM 190 CB SER A 9 102.470 7.753 -6.143 1.00 0.00 C ATOM 191 OG SER A 9 101.534 7.852 -7.207 1.00 0.00 O ATOM 0 H SER A 9 104.158 7.331 -4.609 1.00 0.00 H new ATOM 0 HA SER A 9 103.053 5.758 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 9 101.944 7.504 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 9 102.944 8.722 -5.988 1.00 0.00 H new ATOM 0 HG SER A 9 100.865 8.535 -6.992 1.00 0.00 H new ATOM 197 N GLU A 10 105.593 7.648 -7.441 1.00 0.00 N ATOM 198 CA GLU A 10 106.455 7.974 -8.565 1.00 0.00 C ATOM 199 C GLU A 10 107.142 6.708 -8.982 1.00 0.00 C ATOM 200 O GLU A 10 107.314 6.442 -10.174 1.00 0.00 O ATOM 201 CB GLU A 10 107.519 9.063 -8.227 1.00 0.00 C ATOM 202 CG GLU A 10 108.730 8.584 -7.437 1.00 0.00 C ATOM 203 CD GLU A 10 109.657 9.668 -7.111 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.084 10.381 -8.042 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.943 9.870 -5.908 1.00 0.00 O ATOM 0 H GLU A 10 105.965 7.894 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 10 105.841 8.390 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 10 107.869 9.504 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.031 9.857 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.393 8.110 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.256 7.822 -8.013 1.00 0.00 H new ATOM 212 N LEU A 11 107.508 5.916 -7.973 1.00 0.00 N ATOM 213 CA LEU A 11 108.196 4.673 -8.157 1.00 0.00 C ATOM 214 C LEU A 11 107.413 3.732 -9.045 1.00 0.00 C ATOM 215 O LEU A 11 106.198 3.524 -8.880 1.00 0.00 O ATOM 216 CB LEU A 11 108.552 4.056 -6.815 1.00 0.00 C ATOM 217 CG LEU A 11 109.546 4.852 -5.963 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.787 4.158 -4.646 1.00 0.00 C ATOM 219 CD2 LEU A 11 110.860 5.038 -6.706 1.00 0.00 C ATOM 0 H LEU A 11 107.324 6.140 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 11 109.133 4.870 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.635 3.923 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 108.965 3.063 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 11 109.116 5.834 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.495 4.737 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.846 4.071 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.194 3.163 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.552 5.606 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.291 4.063 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 11 110.679 5.579 -7.635 1.00 0.00 H new ATOM 231 N LYS A 12 108.123 3.228 -10.008 1.00 0.00 N ATOM 232 CA LYS A 12 107.605 2.395 -11.081 1.00 0.00 C ATOM 233 C LYS A 12 107.340 0.953 -10.648 1.00 0.00 C ATOM 234 O LYS A 12 107.614 0.580 -9.529 1.00 0.00 O ATOM 235 CB LYS A 12 108.604 2.389 -12.213 1.00 0.00 C ATOM 236 CG LYS A 12 109.943 1.865 -11.772 1.00 0.00 C ATOM 237 CD LYS A 12 110.878 1.598 -12.928 1.00 0.00 C ATOM 238 CE LYS A 12 111.302 2.880 -13.614 1.00 0.00 C ATOM 239 NZ LYS A 12 112.164 2.618 -14.774 1.00 0.00 N ATOM 0 H LYS A 12 109.128 3.386 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 12 106.649 2.819 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.224 1.775 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 12 108.719 3.401 -12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.405 2.585 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 12 109.799 0.944 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 12 111.760 1.069 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 110.387 0.945 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 12 110.418 3.430 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 111.832 3.515 -12.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 112.433 3.520 -15.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 113.020 2.115 -14.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 111.650 2.033 -15.464 1.00 0.00 H new ATOM 253 N GLY A 13 106.826 0.166 -11.584 1.00 0.00 N ATOM 254 CA GLY A 13 106.552 -1.229 -11.362 1.00 0.00 C ATOM 255 C GLY A 13 105.306 -1.471 -10.539 1.00 0.00 C ATOM 256 O GLY A 13 104.204 -1.020 -10.892 1.00 0.00 O ATOM 0 H GLY A 13 106.589 0.490 -12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.446 -1.729 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.405 -1.684 -10.859 1.00 0.00 H new ATOM 260 N LYS A 14 105.479 -2.160 -9.450 1.00 0.00 N ATOM 261 CA LYS A 14 104.400 -2.534 -8.563 1.00 0.00 C ATOM 262 C LYS A 14 104.485 -1.744 -7.340 1.00 0.00 C ATOM 263 O LYS A 14 105.546 -1.405 -6.891 1.00 0.00 O ATOM 264 CB LYS A 14 104.488 -3.983 -8.135 1.00 0.00 C ATOM 265 CG LYS A 14 104.750 -4.932 -9.249 1.00 0.00 C ATOM 266 CD LYS A 14 103.645 -4.935 -10.265 1.00 0.00 C ATOM 267 CE LYS A 14 102.359 -5.504 -9.681 1.00 0.00 C ATOM 268 NZ LYS A 14 102.459 -6.943 -9.370 1.00 0.00 N ATOM 0 H LYS A 14 106.393 -2.489 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 14 103.472 -2.365 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 14 105.280 -4.084 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.555 -4.263 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.688 -4.667 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.873 -5.937 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 14 103.469 -3.919 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 14 103.946 -5.524 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 14 102.105 -4.958 -8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 14 101.544 -5.345 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 101.509 -7.326 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 102.885 -7.444 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 103.054 -7.075 -8.527 1.00 0.00 H new ATOM 282 N PHE A 15 103.391 -1.518 -6.799 1.00 0.00 N ATOM 283 CA PHE A 15 103.274 -0.787 -5.600 1.00 0.00 C ATOM 284 C PHE A 15 102.569 -1.684 -4.610 1.00 0.00 C ATOM 285 O PHE A 15 101.391 -1.999 -4.789 1.00 0.00 O ATOM 286 CB PHE A 15 102.484 0.489 -5.875 1.00 0.00 C ATOM 287 CG PHE A 15 102.363 1.449 -4.720 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.133 1.295 -3.587 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.483 2.506 -4.785 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.027 2.172 -2.532 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.368 3.401 -3.735 1.00 0.00 C ATOM 292 CZ PHE A 15 102.140 3.231 -2.603 1.00 0.00 C ATOM 0 H PHE A 15 102.500 -1.840 -7.176 1.00 0.00 H new ATOM 0 HA PHE A 15 104.242 -0.490 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 15 102.953 1.011 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.481 0.210 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 103.831 0.473 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 15 100.874 2.639 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.635 2.034 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 15 100.677 4.229 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.052 3.921 -1.777 1.00 0.00 H new ATOM 302 N ILE A 16 103.269 -2.118 -3.605 1.00 0.00 N ATOM 303 CA ILE A 16 102.707 -3.019 -2.646 1.00 0.00 C ATOM 304 C ILE A 16 102.908 -2.559 -1.220 1.00 0.00 C ATOM 305 O ILE A 16 103.848 -1.835 -0.896 1.00 0.00 O ATOM 306 CB ILE A 16 103.155 -4.516 -2.796 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.697 -4.725 -2.859 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.460 -5.192 -3.961 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.375 -4.325 -4.178 1.00 0.00 C ATOM 0 H ILE A 16 104.240 -1.859 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 16 101.642 -2.993 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 16 102.836 -4.999 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 16 105.155 -4.155 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.910 -5.777 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.795 -6.227 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.382 -5.170 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.703 -4.666 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.446 -4.513 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.956 -4.912 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 16 105.205 -3.265 -4.368 1.00 0.00 H new ATOM 321 N HIS A 17 102.003 -2.962 -0.396 1.00 0.00 N ATOM 322 CA HIS A 17 102.016 -2.665 0.999 1.00 0.00 C ATOM 323 C HIS A 17 101.739 -3.975 1.707 1.00 0.00 C ATOM 324 O HIS A 17 100.620 -4.480 1.686 1.00 0.00 O ATOM 325 CB HIS A 17 100.932 -1.615 1.284 1.00 0.00 C ATOM 326 CG HIS A 17 100.827 -1.106 2.699 1.00 0.00 C ATOM 327 ND1 HIS A 17 101.156 0.181 3.072 1.00 0.00 N ATOM 328 CD2 HIS A 17 100.338 -1.699 3.812 1.00 0.00 C ATOM 329 CE1 HIS A 17 100.866 0.326 4.362 1.00 0.00 C ATOM 330 NE2 HIS A 17 100.361 -0.789 4.862 1.00 0.00 N ATOM 0 H HIS A 17 101.204 -3.528 -0.683 1.00 0.00 H new ATOM 0 HA HIS A 17 102.965 -2.253 1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.107 -0.761 0.629 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.968 -2.039 1.004 1.00 0.00 H new ATOM 0 HD1 HIS A 17 101.553 0.897 2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.986 -2.718 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 17 101.022 1.234 4.926 1.00 0.00 H new ATOM 338 N THR A 18 102.761 -4.546 2.241 1.00 0.00 N ATOM 339 CA THR A 18 102.660 -5.834 2.891 1.00 0.00 C ATOM 340 C THR A 18 103.270 -5.796 4.296 1.00 0.00 C ATOM 341 O THR A 18 104.289 -5.163 4.530 1.00 0.00 O ATOM 342 CB THR A 18 103.337 -6.955 2.020 1.00 0.00 C ATOM 343 OG1 THR A 18 103.227 -8.244 2.656 1.00 0.00 O ATOM 344 CG2 THR A 18 104.810 -6.652 1.743 1.00 0.00 C ATOM 0 H THR A 18 103.698 -4.144 2.247 1.00 0.00 H new ATOM 0 HA THR A 18 101.601 -6.073 2.993 1.00 0.00 H new ATOM 0 HB THR A 18 102.804 -6.975 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 18 103.786 -8.893 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.239 -7.452 1.139 1.00 0.00 H new ATOM 0 HG22 THR A 18 104.892 -5.707 1.206 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.351 -6.581 2.687 1.00 0.00 H new ATOM 352 N LYS A 19 102.619 -6.457 5.215 1.00 0.00 N ATOM 353 CA LYS A 19 103.090 -6.574 6.578 1.00 0.00 C ATOM 354 C LYS A 19 104.264 -7.531 6.627 1.00 0.00 C ATOM 355 O LYS A 19 104.238 -8.574 5.980 1.00 0.00 O ATOM 356 CB LYS A 19 101.904 -7.025 7.497 1.00 0.00 C ATOM 357 CG LYS A 19 102.178 -7.384 8.993 1.00 0.00 C ATOM 358 CD LYS A 19 102.796 -8.791 9.164 1.00 0.00 C ATOM 359 CE LYS A 19 102.649 -9.333 10.585 1.00 0.00 C ATOM 360 NZ LYS A 19 101.233 -9.606 10.966 1.00 0.00 N ATOM 0 H LYS A 19 101.736 -6.937 5.041 1.00 0.00 H new ATOM 0 HA LYS A 19 103.443 -5.612 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.161 -6.228 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.445 -7.897 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.850 -6.642 9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 19 101.244 -7.331 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.319 -9.480 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.853 -8.753 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 19 103.227 -10.252 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 19 103.075 -8.616 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 101.211 -10.198 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.745 -8.707 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.754 -10.104 10.188 1.00 0.00 H new ATOM 374 N LEU A 20 105.300 -7.157 7.344 1.00 0.00 N ATOM 375 CA LEU A 20 106.428 -8.030 7.546 1.00 0.00 C ATOM 376 C LEU A 20 106.558 -8.262 9.024 1.00 0.00 C ATOM 377 O LEU A 20 106.694 -7.299 9.808 1.00 0.00 O ATOM 378 CB LEU A 20 107.726 -7.437 6.956 1.00 0.00 C ATOM 379 CG LEU A 20 108.427 -8.296 5.881 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.514 -8.636 4.731 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.667 -7.607 5.370 1.00 0.00 C ATOM 0 H LEU A 20 105.382 -6.248 7.798 1.00 0.00 H new ATOM 0 HA LEU A 20 106.265 -8.973 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.495 -6.464 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.428 -7.264 7.772 1.00 0.00 H new ATOM 0 HG LEU A 20 108.709 -9.232 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 108.055 -9.241 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.655 -9.196 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.170 -7.717 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.144 -8.230 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.395 -6.647 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.359 -7.444 6.196 1.00 0.00 H new ATOM 393 N ARG A 21 106.480 -9.498 9.426 1.00 0.00 N ATOM 394 CA ARG A 21 106.506 -9.850 10.801 1.00 0.00 C ATOM 395 C ARG A 21 107.912 -9.671 11.355 1.00 0.00 C ATOM 396 O ARG A 21 108.868 -10.103 10.772 1.00 0.00 O ATOM 397 CB ARG A 21 106.096 -11.300 10.966 1.00 0.00 C ATOM 398 CG ARG A 21 105.967 -11.735 12.407 1.00 0.00 C ATOM 399 CD ARG A 21 106.138 -13.229 12.534 1.00 0.00 C ATOM 400 NE ARG A 21 105.106 -14.023 11.858 1.00 0.00 N ATOM 401 CZ ARG A 21 105.146 -15.366 11.741 1.00 0.00 C ATOM 402 NH1 ARG A 21 106.177 -16.054 12.247 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.165 -16.015 11.114 1.00 0.00 N ATOM 0 H ARG A 21 106.396 -10.294 8.793 1.00 0.00 H new ATOM 0 HA ARG A 21 105.813 -9.205 11.342 1.00 0.00 H new ATOM 0 HB2 ARG A 21 105.143 -11.458 10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.829 -11.935 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.716 -11.226 13.014 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.991 -11.442 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 21 107.112 -13.505 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 21 106.145 -13.492 13.592 1.00 0.00 H new ATOM 0 HE ARG A 21 104.311 -13.530 11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 21 106.934 -15.563 12.722 1.00 0.00 H new ATOM 0 HH12 ARG A 21 106.205 -17.070 12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 21 103.380 -15.496 10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 21 104.199 -17.031 11.028 1.00 0.00 H new ATOM 417 N LYS A 22 108.032 -8.901 12.384 1.00 0.00 N ATOM 418 CA LYS A 22 109.247 -8.764 13.136 1.00 0.00 C ATOM 419 C LYS A 22 109.693 -10.057 13.650 1.00 0.00 C ATOM 420 O LYS A 22 109.191 -10.525 14.690 1.00 0.00 O ATOM 421 CB LYS A 22 109.046 -7.838 14.281 1.00 0.00 C ATOM 422 CG LYS A 22 109.061 -6.375 13.965 1.00 0.00 C ATOM 423 CD LYS A 22 108.032 -5.904 12.981 1.00 0.00 C ATOM 424 CE LYS A 22 108.589 -5.691 11.607 1.00 0.00 C ATOM 425 NZ LYS A 22 109.383 -6.815 11.097 1.00 0.00 N ATOM 0 H LYS A 22 107.267 -8.329 12.741 1.00 0.00 H new ATOM 0 HA LYS A 22 110.006 -8.363 12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.091 -8.076 14.750 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.822 -8.036 15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 22 108.926 -5.821 14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.048 -6.117 13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 22 107.225 -6.635 12.930 1.00 0.00 H new ATOM 0 HD3 LYS A 22 107.596 -4.971 13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 22 107.765 -5.501 10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 22 109.211 -4.796 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 109.788 -6.563 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 110.151 -7.029 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 108.773 -7.651 10.992 1.00 0.00 H new ATOM 439 N SER A 23 110.622 -10.602 12.941 1.00 0.00 N ATOM 440 CA SER A 23 111.162 -11.867 13.227 1.00 0.00 C ATOM 441 C SER A 23 112.563 -11.669 13.768 1.00 0.00 C ATOM 442 O SER A 23 113.370 -10.949 13.166 1.00 0.00 O ATOM 443 CB SER A 23 111.177 -12.718 11.939 1.00 0.00 C ATOM 444 OG SER A 23 111.547 -14.062 12.198 1.00 0.00 O ATOM 0 H SER A 23 111.033 -10.156 12.121 1.00 0.00 H new ATOM 0 HA SER A 23 110.561 -12.391 13.970 1.00 0.00 H new ATOM 0 HB2 SER A 23 110.190 -12.696 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 23 111.873 -12.281 11.223 1.00 0.00 H new ATOM 0 HG SER A 23 111.544 -14.570 11.360 1.00 0.00 H new ATOM 450 N SER A 24 112.797 -12.240 14.930 1.00 0.00 N ATOM 451 CA SER A 24 114.084 -12.240 15.629 1.00 0.00 C ATOM 452 C SER A 24 114.765 -10.845 15.698 1.00 0.00 C ATOM 453 O SER A 24 115.876 -10.668 15.199 1.00 0.00 O ATOM 454 CB SER A 24 114.994 -13.254 14.966 1.00 0.00 C ATOM 455 OG SER A 24 114.267 -14.447 14.681 1.00 0.00 O ATOM 0 H SER A 24 112.071 -12.741 15.443 1.00 0.00 H new ATOM 0 HA SER A 24 113.893 -12.513 16.667 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.405 -12.840 14.045 1.00 0.00 H new ATOM 0 HB3 SER A 24 115.838 -13.479 15.618 1.00 0.00 H new ATOM 0 HG SER A 24 114.861 -15.097 14.251 1.00 0.00 H new ATOM 461 N ARG A 25 114.049 -9.855 16.253 1.00 0.00 N ATOM 462 CA ARG A 25 114.610 -8.506 16.507 1.00 0.00 C ATOM 463 C ARG A 25 114.890 -7.764 15.238 1.00 0.00 C ATOM 464 O ARG A 25 115.937 -7.134 15.084 1.00 0.00 O ATOM 465 CB ARG A 25 115.869 -8.547 17.410 1.00 0.00 C ATOM 466 CG ARG A 25 115.588 -8.450 18.895 1.00 0.00 C ATOM 467 CD ARG A 25 115.148 -7.055 19.256 1.00 0.00 C ATOM 468 NE ARG A 25 114.808 -6.909 20.666 1.00 0.00 N ATOM 469 CZ ARG A 25 114.259 -5.813 21.200 1.00 0.00 C ATOM 470 NH1 ARG A 25 113.952 -4.775 20.421 1.00 0.00 N ATOM 471 NH2 ARG A 25 114.003 -5.759 22.500 1.00 0.00 N ATOM 0 H ARG A 25 113.075 -9.958 16.538 1.00 0.00 H new ATOM 0 HA ARG A 25 113.839 -7.959 17.049 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.408 -9.474 17.216 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.530 -7.729 17.125 1.00 0.00 H new ATOM 0 HG2 ARG A 25 114.814 -9.166 19.173 1.00 0.00 H new ATOM 0 HG3 ARG A 25 116.483 -8.713 19.459 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.944 -6.353 19.006 1.00 0.00 H new ATOM 0 HD3 ARG A 25 114.283 -6.785 18.650 1.00 0.00 H new ATOM 0 HE ARG A 25 115.002 -7.695 21.286 1.00 0.00 H new ATOM 0 HH11 ARG A 25 114.136 -4.818 19.419 1.00 0.00 H new ATOM 0 HH12 ARG A 25 113.533 -3.939 20.828 1.00 0.00 H new ATOM 0 HH21 ARG A 25 114.225 -6.556 23.097 1.00 0.00 H new ATOM 0 HH22 ARG A 25 113.584 -4.921 22.903 1.00 0.00 H new ATOM 485 N GLY A 26 113.978 -7.855 14.326 1.00 0.00 N ATOM 486 CA GLY A 26 114.132 -7.148 13.124 1.00 0.00 C ATOM 487 C GLY A 26 113.372 -7.759 12.015 1.00 0.00 C ATOM 488 O GLY A 26 112.115 -7.988 12.102 1.00 0.00 O ATOM 0 H GLY A 26 113.127 -8.412 14.401 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.801 -6.119 13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.189 -7.110 12.860 1.00 0.00 H new ATOM 492 N PHE A 27 114.074 -8.049 10.995 1.00 0.00 N ATOM 493 CA PHE A 27 113.502 -8.493 9.803 1.00 0.00 C ATOM 494 C PHE A 27 114.216 -9.719 9.258 1.00 0.00 C ATOM 495 O PHE A 27 113.871 -10.842 9.619 1.00 0.00 O ATOM 496 CB PHE A 27 113.556 -7.341 8.811 1.00 0.00 C ATOM 497 CG PHE A 27 112.622 -6.250 9.062 1.00 0.00 C ATOM 498 CD1 PHE A 27 111.315 -6.328 8.685 1.00 0.00 C ATOM 499 CD2 PHE A 27 113.064 -5.127 9.705 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.466 -5.296 8.961 1.00 0.00 C ATOM 501 CE2 PHE A 27 112.237 -4.113 9.972 1.00 0.00 C ATOM 502 CZ PHE A 27 110.938 -4.185 9.611 1.00 0.00 C ATOM 0 H PHE A 27 115.091 -7.981 10.970 1.00 0.00 H new ATOM 0 HA PHE A 27 112.470 -8.796 9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.568 -6.936 8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 27 113.367 -7.735 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.952 -7.204 8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 27 114.100 -5.059 10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 27 109.428 -5.354 8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.608 -3.234 10.478 1.00 0.00 H new ATOM 0 HZ PHE A 27 110.270 -3.366 9.835 1.00 0.00 H new ATOM 512 N GLY A 28 115.238 -9.510 8.501 1.00 0.00 N ATOM 513 CA GLY A 28 115.822 -10.571 7.736 1.00 0.00 C ATOM 514 C GLY A 28 115.858 -10.204 6.263 1.00 0.00 C ATOM 515 O GLY A 28 115.337 -10.927 5.404 1.00 0.00 O ATOM 0 H GLY A 28 115.695 -8.605 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.833 -10.771 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.248 -11.487 7.875 1.00 0.00 H new ATOM 519 N PHE A 29 116.406 -9.055 5.984 1.00 0.00 N ATOM 520 CA PHE A 29 116.640 -8.588 4.646 1.00 0.00 C ATOM 521 C PHE A 29 117.676 -7.503 4.703 1.00 0.00 C ATOM 522 O PHE A 29 117.731 -6.739 5.666 1.00 0.00 O ATOM 523 CB PHE A 29 115.350 -8.114 3.903 1.00 0.00 C ATOM 524 CG PHE A 29 114.627 -6.907 4.460 1.00 0.00 C ATOM 525 CD1 PHE A 29 115.130 -5.633 4.273 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.427 -7.046 5.117 1.00 0.00 C ATOM 527 CE1 PHE A 29 114.451 -4.521 4.733 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.747 -5.936 5.586 1.00 0.00 C ATOM 529 CZ PHE A 29 113.259 -4.676 5.393 1.00 0.00 C ATOM 0 H PHE A 29 116.711 -8.398 6.702 1.00 0.00 H new ATOM 0 HA PHE A 29 116.998 -9.429 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.618 -7.898 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.648 -8.947 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 29 116.071 -5.505 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.011 -8.031 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.858 -3.533 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.809 -6.061 6.106 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.725 -3.812 5.759 1.00 0.00 H new ATOM 539 N THR A 30 118.514 -7.440 3.745 1.00 0.00 N ATOM 540 CA THR A 30 119.484 -6.417 3.739 1.00 0.00 C ATOM 541 C THR A 30 119.147 -5.415 2.698 1.00 0.00 C ATOM 542 O THR A 30 118.780 -5.746 1.549 1.00 0.00 O ATOM 543 CB THR A 30 120.897 -6.994 3.627 1.00 0.00 C ATOM 544 OG1 THR A 30 120.920 -7.977 2.581 1.00 0.00 O ATOM 545 CG2 THR A 30 121.286 -7.654 4.941 1.00 0.00 C ATOM 0 H THR A 30 118.550 -8.083 2.954 1.00 0.00 H new ATOM 0 HA THR A 30 119.474 -5.888 4.692 1.00 0.00 H new ATOM 0 HB THR A 30 121.601 -6.193 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.823 -8.350 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.293 -8.064 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.260 -6.914 5.741 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.585 -8.457 5.166 1.00 0.00 H new ATOM 553 N VAL A 31 119.259 -4.199 3.091 1.00 0.00 N ATOM 554 CA VAL A 31 118.784 -3.129 2.332 1.00 0.00 C ATOM 555 C VAL A 31 119.839 -2.034 2.174 1.00 0.00 C ATOM 556 O VAL A 31 120.482 -1.682 3.110 1.00 0.00 O ATOM 557 CB VAL A 31 117.490 -2.635 3.005 1.00 0.00 C ATOM 558 CG1 VAL A 31 117.664 -2.351 4.484 1.00 0.00 C ATOM 559 CG2 VAL A 31 116.982 -1.462 2.358 1.00 0.00 C ATOM 0 H VAL A 31 119.695 -3.926 3.972 1.00 0.00 H new ATOM 0 HA VAL A 31 118.563 -3.443 1.312 1.00 0.00 H new ATOM 0 HB VAL A 31 116.775 -3.451 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 116.718 -2.006 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 31 117.976 -3.262 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 31 118.423 -1.580 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 31 116.068 -1.138 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 31 117.725 -0.667 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 31 116.765 -1.687 1.314 1.00 0.00 H new ATOM 569 N VAL A 32 119.943 -1.505 0.985 1.00 0.00 N ATOM 570 CA VAL A 32 120.951 -0.544 0.588 1.00 0.00 C ATOM 571 C VAL A 32 120.394 0.800 0.251 1.00 0.00 C ATOM 572 O VAL A 32 119.244 0.930 -0.113 1.00 0.00 O ATOM 573 CB VAL A 32 121.815 -1.047 -0.583 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.809 -2.079 -0.102 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.926 -1.629 -1.674 1.00 0.00 C ATOM 0 H VAL A 32 119.301 -1.739 0.228 1.00 0.00 H new ATOM 0 HA VAL A 32 121.581 -0.432 1.471 1.00 0.00 H new ATOM 0 HB VAL A 32 122.371 -0.205 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.411 -2.424 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.459 -1.635 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.275 -2.924 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.546 -1.982 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.351 -2.462 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 32 120.244 -0.860 -2.037 1.00 0.00 H new ATOM 585 N GLY A 33 121.220 1.789 0.405 1.00 0.00 N ATOM 586 CA GLY A 33 120.832 3.129 0.143 1.00 0.00 C ATOM 587 C GLY A 33 120.464 3.780 1.427 1.00 0.00 C ATOM 588 O GLY A 33 121.260 3.699 2.392 1.00 0.00 O ATOM 0 H GLY A 33 122.185 1.682 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 121.648 3.672 -0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.988 3.150 -0.546 1.00 0.00 H new ATOM 592 N GLY A 34 119.252 4.378 1.429 1.00 0.00 N ATOM 593 CA GLY A 34 118.636 5.058 2.552 1.00 0.00 C ATOM 594 C GLY A 34 119.570 5.861 3.315 1.00 0.00 C ATOM 595 O GLY A 34 119.991 5.491 4.390 1.00 0.00 O ATOM 0 H GLY A 34 118.661 4.391 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.833 5.697 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 34 118.180 4.319 3.210 1.00 0.00 H new ATOM 599 N ASP A 35 119.920 6.940 2.768 1.00 0.00 N ATOM 600 CA ASP A 35 120.880 7.767 3.397 1.00 0.00 C ATOM 601 C ASP A 35 120.420 9.162 3.459 1.00 0.00 C ATOM 602 O ASP A 35 120.844 9.949 4.318 1.00 0.00 O ATOM 603 CB ASP A 35 122.144 7.690 2.612 1.00 0.00 C ATOM 604 CG ASP A 35 123.323 8.365 3.332 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.579 8.066 4.519 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.035 9.184 2.714 1.00 0.00 O ATOM 0 H ASP A 35 119.561 7.287 1.878 1.00 0.00 H new ATOM 0 HA ASP A 35 121.037 7.423 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.388 6.645 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.995 8.163 1.642 1.00 0.00 H new ATOM 611 N GLU A 36 119.495 9.481 2.622 1.00 0.00 N ATOM 612 CA GLU A 36 119.196 10.849 2.419 1.00 0.00 C ATOM 613 C GLU A 36 117.827 11.020 1.905 1.00 0.00 C ATOM 614 O GLU A 36 117.198 10.037 1.565 1.00 0.00 O ATOM 615 CB GLU A 36 120.267 11.386 1.469 1.00 0.00 C ATOM 616 CG GLU A 36 120.537 10.442 0.341 1.00 0.00 C ATOM 617 CD GLU A 36 121.623 10.922 -0.549 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.593 12.094 -0.958 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.543 10.158 -0.851 1.00 0.00 O ATOM 0 H GLU A 36 118.941 8.822 2.075 1.00 0.00 H new ATOM 0 HA GLU A 36 119.216 11.412 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.947 12.348 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.189 11.562 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 36 120.806 9.466 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.626 10.306 -0.242 1.00 0.00 H new ATOM 626 N PRO A 37 117.326 12.238 1.833 1.00 0.00 N ATOM 627 CA PRO A 37 115.974 12.504 1.368 1.00 0.00 C ATOM 628 C PRO A 37 115.845 12.028 -0.043 1.00 0.00 C ATOM 629 O PRO A 37 114.865 11.381 -0.423 1.00 0.00 O ATOM 630 CB PRO A 37 115.914 14.027 1.459 1.00 0.00 C ATOM 631 CG PRO A 37 116.895 14.345 2.513 1.00 0.00 C ATOM 632 CD PRO A 37 118.019 13.488 2.144 1.00 0.00 C ATOM 0 HA PRO A 37 115.178 12.013 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 37 116.176 14.497 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.915 14.375 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 37 117.168 15.400 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.515 14.115 3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.571 13.877 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.734 13.372 2.959 1.00 0.00 H new ATOM 640 N ASP A 38 116.912 12.247 -0.746 1.00 0.00 N ATOM 641 CA ASP A 38 117.076 11.916 -2.120 1.00 0.00 C ATOM 642 C ASP A 38 117.222 10.406 -2.357 1.00 0.00 C ATOM 643 O ASP A 38 116.876 9.901 -3.432 1.00 0.00 O ATOM 644 CB ASP A 38 118.288 12.673 -2.645 1.00 0.00 C ATOM 645 CG ASP A 38 118.769 12.220 -4.027 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.111 12.538 -5.045 1.00 0.00 O ATOM 647 OD2 ASP A 38 119.840 11.550 -4.123 1.00 0.00 O ATOM 0 H ASP A 38 117.740 12.689 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 38 116.176 12.210 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.047 13.735 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 38 119.107 12.561 -1.934 1.00 0.00 H new ATOM 652 N GLU A 39 117.685 9.667 -1.368 1.00 0.00 N ATOM 653 CA GLU A 39 117.883 8.268 -1.592 1.00 0.00 C ATOM 654 C GLU A 39 117.198 7.423 -0.548 1.00 0.00 C ATOM 655 O GLU A 39 117.532 7.482 0.680 1.00 0.00 O ATOM 656 CB GLU A 39 119.361 7.923 -1.749 1.00 0.00 C ATOM 657 CG GLU A 39 119.612 6.501 -2.205 1.00 0.00 C ATOM 658 CD GLU A 39 120.998 6.320 -2.746 1.00 0.00 C ATOM 659 OE1 GLU A 39 121.392 7.123 -3.605 1.00 0.00 O ATOM 660 OE2 GLU A 39 121.677 5.343 -2.398 1.00 0.00 O ATOM 0 H GLU A 39 117.921 10.006 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 39 117.405 8.025 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.810 8.609 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.865 8.083 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 39 119.458 5.820 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 118.886 6.233 -2.972 1.00 0.00 H new ATOM 667 N PHE A 40 116.278 6.624 -1.088 1.00 0.00 N ATOM 668 CA PHE A 40 115.374 5.689 -0.404 1.00 0.00 C ATOM 669 C PHE A 40 116.078 4.358 -0.245 1.00 0.00 C ATOM 670 O PHE A 40 117.133 4.127 -0.872 1.00 0.00 O ATOM 671 CB PHE A 40 114.106 5.450 -1.245 1.00 0.00 C ATOM 672 CG PHE A 40 113.532 6.657 -1.961 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.353 7.870 -1.317 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.171 6.555 -3.299 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.821 8.954 -1.996 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.638 7.631 -3.979 1.00 0.00 C ATOM 677 CZ PHE A 40 112.461 8.831 -3.333 1.00 0.00 C ATOM 0 H PHE A 40 116.131 6.610 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 40 115.100 6.113 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.329 4.686 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.335 5.042 -0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.630 7.972 -0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.310 5.617 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.686 9.896 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.360 7.530 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 40 112.044 9.675 -3.862 1.00 0.00 H new ATOM 687 N LEU A 41 115.538 3.489 0.599 1.00 0.00 N ATOM 688 CA LEU A 41 116.221 2.233 0.854 1.00 0.00 C ATOM 689 C LEU A 41 115.771 1.187 -0.139 1.00 0.00 C ATOM 690 O LEU A 41 114.678 1.243 -0.580 1.00 0.00 O ATOM 691 CB LEU A 41 116.052 1.689 2.249 1.00 0.00 C ATOM 692 CG LEU A 41 116.634 2.420 3.437 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.833 3.661 3.817 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.741 1.463 4.598 1.00 0.00 C ATOM 0 H LEU A 41 114.661 3.624 1.102 1.00 0.00 H new ATOM 0 HA LEU A 41 117.281 2.460 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.981 1.589 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.471 0.683 2.254 1.00 0.00 H new ATOM 0 HG LEU A 41 117.626 2.780 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.298 4.145 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.815 4.354 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.813 3.372 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 41 117.160 1.982 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.751 1.084 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.390 0.631 4.325 1.00 0.00 H new ATOM 706 N GLN A 42 116.628 0.282 -0.528 1.00 0.00 N ATOM 707 CA GLN A 42 116.288 -0.704 -1.524 1.00 0.00 C ATOM 708 C GLN A 42 116.797 -2.068 -1.072 1.00 0.00 C ATOM 709 O GLN A 42 117.834 -2.164 -0.528 1.00 0.00 O ATOM 710 CB GLN A 42 117.018 -0.332 -2.759 1.00 0.00 C ATOM 711 CG GLN A 42 116.546 -1.027 -4.020 1.00 0.00 C ATOM 712 CD GLN A 42 117.491 -0.854 -5.205 1.00 0.00 C ATOM 713 OE1 GLN A 42 117.562 -1.695 -6.078 1.00 0.00 O ATOM 714 NE2 GLN A 42 118.240 0.219 -5.227 1.00 0.00 N ATOM 0 H GLN A 42 117.579 0.205 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 42 115.210 -0.745 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.932 0.745 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 42 118.076 -0.551 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.426 -2.091 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.563 -0.641 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 42 118.162 0.911 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.902 0.363 -5.989 1.00 0.00 H new ATOM 723 N ILE A 43 116.102 -3.088 -1.362 1.00 0.00 N ATOM 724 CA ILE A 43 116.470 -4.436 -0.873 1.00 0.00 C ATOM 725 C ILE A 43 117.515 -5.071 -1.763 1.00 0.00 C ATOM 726 O ILE A 43 117.241 -5.334 -2.922 1.00 0.00 O ATOM 727 CB ILE A 43 115.248 -5.383 -0.809 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.112 -4.718 -0.055 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.616 -6.721 -0.149 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.480 -4.259 1.322 1.00 0.00 C ATOM 0 H ILE A 43 115.260 -3.061 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 43 116.868 -4.297 0.132 1.00 0.00 H new ATOM 0 HB ILE A 43 114.925 -5.590 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.760 -3.862 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.279 -5.417 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.737 -7.365 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.403 -7.207 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 43 115.969 -6.541 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.614 -3.795 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.803 -5.114 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.291 -3.534 1.259 1.00 0.00 H new ATOM 742 N LYS A 44 118.693 -5.356 -1.211 1.00 0.00 N ATOM 743 CA LYS A 44 119.764 -5.953 -1.996 1.00 0.00 C ATOM 744 C LYS A 44 119.813 -7.453 -1.840 1.00 0.00 C ATOM 745 O LYS A 44 120.420 -8.142 -2.657 1.00 0.00 O ATOM 746 CB LYS A 44 121.145 -5.279 -1.757 1.00 0.00 C ATOM 747 CG LYS A 44 121.740 -5.343 -0.328 1.00 0.00 C ATOM 748 CD LYS A 44 122.264 -6.720 0.077 1.00 0.00 C ATOM 749 CE LYS A 44 123.386 -7.199 -0.829 1.00 0.00 C ATOM 750 NZ LYS A 44 123.904 -8.524 -0.426 1.00 0.00 N ATOM 0 H LYS A 44 118.926 -5.184 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 44 119.522 -5.755 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.863 -5.734 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.059 -4.229 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 44 122.554 -4.622 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 44 120.975 -5.035 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 44 122.622 -6.682 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 44 121.446 -7.440 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.025 -7.249 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.199 -6.473 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 124.701 -8.787 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 124.227 -8.485 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 123.149 -9.234 -0.515 1.00 0.00 H new ATOM 764 N SER A 45 119.205 -7.962 -0.793 1.00 0.00 N ATOM 765 CA SER A 45 119.078 -9.394 -0.590 1.00 0.00 C ATOM 766 C SER A 45 117.951 -9.672 0.370 1.00 0.00 C ATOM 767 O SER A 45 117.884 -9.060 1.444 1.00 0.00 O ATOM 768 CB SER A 45 120.375 -10.007 -0.016 1.00 0.00 C ATOM 769 OG SER A 45 121.477 -9.828 -0.893 1.00 0.00 O ATOM 0 H SER A 45 118.783 -7.398 -0.055 1.00 0.00 H new ATOM 0 HA SER A 45 118.878 -9.847 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.599 -9.548 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.224 -11.071 0.166 1.00 0.00 H new ATOM 0 HG SER A 45 121.165 -9.433 -1.734 1.00 0.00 H new ATOM 775 N LEU A 46 117.042 -10.532 -0.015 1.00 0.00 N ATOM 776 CA LEU A 46 116.077 -10.990 0.898 1.00 0.00 C ATOM 777 C LEU A 46 116.751 -12.095 1.670 1.00 0.00 C ATOM 778 O LEU A 46 117.226 -13.071 1.086 1.00 0.00 O ATOM 779 CB LEU A 46 114.771 -11.438 0.201 1.00 0.00 C ATOM 780 CG LEU A 46 114.797 -12.677 -0.695 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.375 -13.913 0.063 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.891 -12.464 -1.832 1.00 0.00 C ATOM 0 H LEU A 46 116.966 -10.917 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 46 115.747 -10.196 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.025 -11.609 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 46 114.417 -10.602 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 46 115.818 -12.830 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.404 -14.776 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 46 115.055 -14.077 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.361 -13.780 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 46 113.903 -13.343 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 46 112.878 -12.298 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.218 -11.593 -2.400 1.00 0.00 H new ATOM 794 N VAL A 47 116.901 -11.911 2.923 1.00 0.00 N ATOM 795 CA VAL A 47 117.605 -12.856 3.719 1.00 0.00 C ATOM 796 C VAL A 47 116.657 -13.973 4.110 1.00 0.00 C ATOM 797 O VAL A 47 115.521 -13.725 4.533 1.00 0.00 O ATOM 798 CB VAL A 47 118.222 -12.170 4.974 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.927 -13.177 5.849 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.197 -11.058 4.567 1.00 0.00 C ATOM 0 H VAL A 47 116.543 -11.104 3.434 1.00 0.00 H new ATOM 0 HA VAL A 47 118.431 -13.276 3.145 1.00 0.00 H new ATOM 0 HB VAL A 47 117.404 -11.727 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.349 -12.672 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.215 -13.934 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.727 -13.654 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.614 -10.595 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.003 -11.482 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.668 -10.306 3.982 1.00 0.00 H new ATOM 810 N LEU A 48 117.090 -15.197 3.876 1.00 0.00 N ATOM 811 CA LEU A 48 116.323 -16.366 4.253 1.00 0.00 C ATOM 812 C LEU A 48 116.113 -16.358 5.741 1.00 0.00 C ATOM 813 O LEU A 48 117.001 -15.932 6.480 1.00 0.00 O ATOM 814 CB LEU A 48 117.034 -17.637 3.806 1.00 0.00 C ATOM 815 CG LEU A 48 117.211 -17.806 2.293 1.00 0.00 C ATOM 816 CD1 LEU A 48 118.017 -19.054 1.986 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.856 -17.867 1.594 1.00 0.00 C ATOM 0 H LEU A 48 117.979 -15.407 3.422 1.00 0.00 H new ATOM 0 HA LEU A 48 115.352 -16.341 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 48 118.019 -17.663 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.478 -18.494 4.186 1.00 0.00 H new ATOM 0 HG LEU A 48 117.755 -16.940 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 48 118.132 -19.157 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 48 119.000 -18.975 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 48 117.499 -19.928 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.005 -17.987 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.286 -18.713 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.307 -16.944 1.783 1.00 0.00 H new ATOM 829 N ASP A 49 114.914 -16.787 6.161 1.00 0.00 N ATOM 830 CA ASP A 49 114.464 -16.779 7.579 1.00 0.00 C ATOM 831 C ASP A 49 113.996 -15.371 7.966 1.00 0.00 C ATOM 832 O ASP A 49 113.648 -15.090 9.105 1.00 0.00 O ATOM 833 CB ASP A 49 115.549 -17.341 8.535 1.00 0.00 C ATOM 834 CG ASP A 49 115.098 -17.569 9.977 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.220 -18.434 10.210 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.659 -16.922 10.920 1.00 0.00 O ATOM 0 H ASP A 49 114.211 -17.157 5.522 1.00 0.00 H new ATOM 0 HA ASP A 49 113.613 -17.452 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.910 -18.287 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.395 -16.654 8.541 1.00 0.00 H new ATOM 841 N GLY A 50 113.977 -14.505 6.978 1.00 0.00 N ATOM 842 CA GLY A 50 113.473 -13.171 7.129 1.00 0.00 C ATOM 843 C GLY A 50 112.041 -13.126 6.744 1.00 0.00 C ATOM 844 O GLY A 50 111.647 -13.919 5.930 1.00 0.00 O ATOM 0 H GLY A 50 114.316 -14.716 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.591 -12.843 8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 50 114.047 -12.483 6.508 1.00 0.00 H new ATOM 848 N PRO A 51 111.247 -12.123 7.153 1.00 0.00 N ATOM 849 CA PRO A 51 109.815 -12.188 6.971 1.00 0.00 C ATOM 850 C PRO A 51 109.462 -12.011 5.495 1.00 0.00 C ATOM 851 O PRO A 51 108.461 -12.496 5.013 1.00 0.00 O ATOM 852 CB PRO A 51 109.281 -11.106 7.915 1.00 0.00 C ATOM 853 CG PRO A 51 110.414 -10.157 8.158 1.00 0.00 C ATOM 854 CD PRO A 51 111.661 -10.774 7.584 1.00 0.00 C ATOM 0 HA PRO A 51 109.360 -13.147 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.430 -10.589 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.934 -11.544 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.213 -9.194 7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.535 -9.972 9.225 1.00 0.00 H new ATOM 0 HD2 PRO A 51 112.042 -10.190 6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.457 -10.823 8.327 1.00 0.00 H new ATOM 862 N ALA A 52 110.367 -11.341 4.803 1.00 0.00 N ATOM 863 CA ALA A 52 110.333 -11.139 3.379 1.00 0.00 C ATOM 864 C ALA A 52 110.385 -12.489 2.673 1.00 0.00 C ATOM 865 O ALA A 52 109.553 -12.800 1.816 1.00 0.00 O ATOM 866 CB ALA A 52 111.560 -10.346 3.006 1.00 0.00 C ATOM 0 H ALA A 52 111.178 -10.907 5.245 1.00 0.00 H new ATOM 0 HA ALA A 52 109.422 -10.616 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.568 -10.173 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.547 -9.389 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.453 -10.902 3.291 1.00 0.00 H new ATOM 872 N ALA A 53 111.347 -13.294 3.103 1.00 0.00 N ATOM 873 CA ALA A 53 111.597 -14.621 2.577 1.00 0.00 C ATOM 874 C ALA A 53 110.416 -15.498 2.815 1.00 0.00 C ATOM 875 O ALA A 53 109.919 -16.174 1.927 1.00 0.00 O ATOM 876 CB ALA A 53 112.794 -15.227 3.305 1.00 0.00 C ATOM 0 H ALA A 53 111.991 -13.031 3.849 1.00 0.00 H new ATOM 0 HA ALA A 53 111.791 -14.546 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.989 -16.226 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.671 -14.599 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.578 -15.289 4.372 1.00 0.00 H new ATOM 882 N LEU A 54 109.968 -15.418 4.014 1.00 0.00 N ATOM 883 CA LEU A 54 108.968 -16.242 4.559 1.00 0.00 C ATOM 884 C LEU A 54 107.590 -15.973 4.041 1.00 0.00 C ATOM 885 O LEU A 54 106.793 -16.903 3.835 1.00 0.00 O ATOM 886 CB LEU A 54 109.059 -16.066 5.975 1.00 0.00 C ATOM 887 CG LEU A 54 110.456 -16.391 6.462 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.451 -16.206 7.819 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.890 -17.804 6.118 1.00 0.00 C ATOM 0 H LEU A 54 110.317 -14.728 4.679 1.00 0.00 H new ATOM 0 HA LEU A 54 109.138 -17.277 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.806 -15.038 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.335 -16.709 6.475 1.00 0.00 H new ATOM 0 HG LEU A 54 111.174 -15.739 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.440 -16.428 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.192 -15.171 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.717 -16.871 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.899 -17.976 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.205 -18.517 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.878 -17.935 5.036 1.00 0.00 H new ATOM 901 N ASP A 55 107.283 -14.702 3.835 1.00 0.00 N ATOM 902 CA ASP A 55 106.011 -14.321 3.241 1.00 0.00 C ATOM 903 C ASP A 55 106.048 -14.698 1.782 1.00 0.00 C ATOM 904 O ASP A 55 105.028 -14.993 1.151 1.00 0.00 O ATOM 905 CB ASP A 55 105.748 -12.824 3.387 1.00 0.00 C ATOM 906 CG ASP A 55 104.340 -12.458 2.976 1.00 0.00 C ATOM 907 OD1 ASP A 55 104.062 -12.376 1.787 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.471 -12.290 3.857 1.00 0.00 O ATOM 0 H ASP A 55 107.894 -13.920 4.069 1.00 0.00 H new ATOM 0 HA ASP A 55 105.204 -14.841 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.914 -12.525 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.461 -12.269 2.777 1.00 0.00 H new ATOM 913 N GLY A 56 107.252 -14.718 1.263 1.00 0.00 N ATOM 914 CA GLY A 56 107.475 -15.127 -0.102 1.00 0.00 C ATOM 915 C GLY A 56 107.235 -14.057 -1.167 1.00 0.00 C ATOM 916 O GLY A 56 107.920 -14.063 -2.200 1.00 0.00 O ATOM 0 H GLY A 56 108.097 -14.454 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.503 -15.478 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 56 106.828 -15.977 -0.317 1.00 0.00 H new ATOM 920 N LYS A 57 106.290 -13.145 -0.958 1.00 0.00 N ATOM 921 CA LYS A 57 105.967 -12.179 -2.012 1.00 0.00 C ATOM 922 C LYS A 57 106.991 -11.064 -2.113 1.00 0.00 C ATOM 923 O LYS A 57 107.285 -10.594 -3.208 1.00 0.00 O ATOM 924 CB LYS A 57 104.541 -11.614 -1.881 1.00 0.00 C ATOM 925 CG LYS A 57 104.312 -10.669 -0.705 1.00 0.00 C ATOM 926 CD LYS A 57 102.847 -10.246 -0.583 1.00 0.00 C ATOM 927 CE LYS A 57 101.937 -11.447 -0.328 1.00 0.00 C ATOM 928 NZ LYS A 57 100.541 -11.054 -0.077 1.00 0.00 N ATOM 0 H LYS A 57 105.748 -13.051 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 57 106.006 -12.740 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.292 -11.086 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 57 103.845 -12.449 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.626 -11.157 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.936 -9.783 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.741 -9.528 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.536 -9.740 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 57 101.974 -12.115 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 57 102.313 -12.008 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 99.966 -11.904 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 100.499 -10.438 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 100.171 -10.542 -0.903 1.00 0.00 H new ATOM 942 N MET A 58 107.541 -10.671 -0.994 1.00 0.00 N ATOM 943 CA MET A 58 108.519 -9.586 -0.948 1.00 0.00 C ATOM 944 C MET A 58 109.882 -10.129 -1.382 1.00 0.00 C ATOM 945 O MET A 58 110.248 -11.263 -1.023 1.00 0.00 O ATOM 946 CB MET A 58 108.517 -8.961 0.459 1.00 0.00 C ATOM 947 CG MET A 58 109.397 -7.754 0.672 1.00 0.00 C ATOM 948 SD MET A 58 111.143 -8.111 0.782 1.00 0.00 S ATOM 949 CE MET A 58 111.701 -6.590 1.493 1.00 0.00 C ATOM 0 H MET A 58 107.333 -11.085 -0.085 1.00 0.00 H new ATOM 0 HA MET A 58 108.264 -8.785 -1.642 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.492 -8.681 0.704 1.00 0.00 H new ATOM 0 HB3 MET A 58 108.817 -9.729 1.172 1.00 0.00 H new ATOM 0 HG2 MET A 58 109.234 -7.054 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.085 -7.251 1.587 1.00 0.00 H new ATOM 0 HE1 MET A 58 112.783 -6.623 1.619 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.437 -5.762 0.835 1.00 0.00 H new ATOM 0 HE3 MET A 58 111.227 -6.447 2.464 1.00 0.00 H new ATOM 959 N GLU A 59 110.607 -9.351 -2.171 1.00 0.00 N ATOM 960 CA GLU A 59 111.822 -9.814 -2.812 1.00 0.00 C ATOM 961 C GLU A 59 112.878 -8.729 -2.892 1.00 0.00 C ATOM 962 O GLU A 59 112.636 -7.553 -2.632 1.00 0.00 O ATOM 963 CB GLU A 59 111.545 -10.291 -4.247 1.00 0.00 C ATOM 964 CG GLU A 59 110.629 -11.485 -4.367 1.00 0.00 C ATOM 965 CD GLU A 59 110.384 -11.864 -5.796 1.00 0.00 C ATOM 966 OE1 GLU A 59 111.266 -12.482 -6.433 1.00 0.00 O ATOM 967 OE2 GLU A 59 109.307 -11.545 -6.325 1.00 0.00 O ATOM 0 H GLU A 59 110.368 -8.382 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 59 112.187 -10.635 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.112 -9.464 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.496 -10.535 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.066 -12.332 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.678 -11.262 -3.883 1.00 0.00 H new ATOM 974 N THR A 60 114.059 -9.163 -3.230 1.00 0.00 N ATOM 975 CA THR A 60 115.168 -8.334 -3.496 1.00 0.00 C ATOM 976 C THR A 60 114.828 -7.431 -4.687 1.00 0.00 C ATOM 977 O THR A 60 114.266 -7.895 -5.687 1.00 0.00 O ATOM 978 CB THR A 60 116.324 -9.246 -3.868 1.00 0.00 C ATOM 979 OG1 THR A 60 116.434 -10.296 -2.886 1.00 0.00 O ATOM 980 CG2 THR A 60 117.579 -8.478 -3.890 1.00 0.00 C ATOM 0 H THR A 60 114.270 -10.156 -3.328 1.00 0.00 H new ATOM 0 HA THR A 60 115.423 -7.715 -2.636 1.00 0.00 H new ATOM 0 HB THR A 60 116.142 -9.673 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.178 -10.889 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.405 -9.138 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.502 -7.676 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 60 117.761 -8.050 -2.904 1.00 0.00 H new ATOM 988 N GLY A 61 115.146 -6.179 -4.582 1.00 0.00 N ATOM 989 CA GLY A 61 114.812 -5.262 -5.619 1.00 0.00 C ATOM 990 C GLY A 61 113.661 -4.380 -5.203 1.00 0.00 C ATOM 991 O GLY A 61 113.367 -3.380 -5.858 1.00 0.00 O ATOM 0 H GLY A 61 115.637 -5.771 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.679 -4.647 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.548 -5.809 -6.524 1.00 0.00 H new ATOM 995 N ASP A 62 112.953 -4.782 -4.157 1.00 0.00 N ATOM 996 CA ASP A 62 111.912 -3.935 -3.604 1.00 0.00 C ATOM 997 C ASP A 62 112.551 -2.710 -3.012 1.00 0.00 C ATOM 998 O ASP A 62 113.556 -2.798 -2.331 1.00 0.00 O ATOM 999 CB ASP A 62 111.073 -4.624 -2.504 1.00 0.00 C ATOM 1000 CG ASP A 62 109.928 -5.494 -3.005 1.00 0.00 C ATOM 1001 OD1 ASP A 62 109.096 -4.995 -3.775 1.00 0.00 O ATOM 1002 OD2 ASP A 62 109.831 -6.702 -2.638 1.00 0.00 O ATOM 0 H ASP A 62 113.079 -5.676 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 62 111.235 -3.693 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.736 -5.240 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.663 -3.856 -1.848 1.00 0.00 H new ATOM 1007 N VAL A 63 112.034 -1.586 -3.302 1.00 0.00 N ATOM 1008 CA VAL A 63 112.533 -0.388 -2.713 1.00 0.00 C ATOM 1009 C VAL A 63 111.640 0.065 -1.583 1.00 0.00 C ATOM 1010 O VAL A 63 110.440 0.270 -1.762 1.00 0.00 O ATOM 1011 CB VAL A 63 112.922 0.735 -3.755 1.00 0.00 C ATOM 1012 CG1 VAL A 63 112.036 0.700 -4.966 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.915 2.134 -3.135 1.00 0.00 C ATOM 0 H VAL A 63 111.257 -1.456 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 63 113.498 -0.624 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 63 113.943 0.516 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.335 1.487 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 63 112.128 -0.269 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 63 111.001 0.857 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.189 2.869 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.918 2.359 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.633 2.172 -2.316 1.00 0.00 H new ATOM 1023 N ILE A 64 112.242 0.150 -0.418 1.00 0.00 N ATOM 1024 CA ILE A 64 111.594 0.502 0.803 1.00 0.00 C ATOM 1025 C ILE A 64 111.266 1.979 0.812 1.00 0.00 C ATOM 1026 O ILE A 64 112.205 2.881 0.799 1.00 0.00 O ATOM 1027 CB ILE A 64 112.435 0.134 2.058 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.693 -1.374 2.126 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.765 0.619 3.350 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.436 -2.226 2.208 1.00 0.00 C ATOM 0 H ILE A 64 113.239 -0.034 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 64 110.674 -0.080 0.854 1.00 0.00 H new ATOM 0 HB ILE A 64 113.393 0.645 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.262 -1.672 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.317 -1.584 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.382 0.344 4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.653 1.703 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.783 0.156 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.713 -3.279 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.874 -1.960 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.819 -2.050 1.327 1.00 0.00 H new ATOM 1042 N VAL A 65 109.958 2.204 0.838 1.00 0.00 N ATOM 1043 CA VAL A 65 109.330 3.489 0.781 1.00 0.00 C ATOM 1044 C VAL A 65 108.869 3.907 2.188 1.00 0.00 C ATOM 1045 O VAL A 65 109.325 4.911 2.730 1.00 0.00 O ATOM 1046 CB VAL A 65 108.083 3.393 -0.170 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.336 4.699 -0.288 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.488 2.902 -1.547 1.00 0.00 C ATOM 0 H VAL A 65 109.282 1.443 0.903 1.00 0.00 H new ATOM 0 HA VAL A 65 110.036 4.230 0.405 1.00 0.00 H new ATOM 0 HB VAL A 65 107.406 2.671 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.485 4.572 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.981 5.005 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.001 5.464 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.607 2.844 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.208 3.595 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.940 1.914 -1.462 1.00 0.00 H new ATOM 1058 N SER A 66 108.025 3.109 2.801 1.00 0.00 N ATOM 1059 CA SER A 66 107.474 3.470 4.093 1.00 0.00 C ATOM 1060 C SER A 66 107.253 2.227 4.955 1.00 0.00 C ATOM 1061 O SER A 66 107.385 1.093 4.488 1.00 0.00 O ATOM 1062 CB SER A 66 106.126 4.219 3.936 1.00 0.00 C ATOM 1063 OG SER A 66 106.193 5.297 3.001 1.00 0.00 O ATOM 0 H SER A 66 107.705 2.213 2.433 1.00 0.00 H new ATOM 0 HA SER A 66 108.194 4.128 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.360 3.514 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.816 4.606 4.907 1.00 0.00 H new ATOM 0 HG SER A 66 105.509 5.174 2.310 1.00 0.00 H new ATOM 1069 N VAL A 67 106.914 2.463 6.187 1.00 0.00 N ATOM 1070 CA VAL A 67 106.592 1.456 7.154 1.00 0.00 C ATOM 1071 C VAL A 67 105.488 2.068 8.006 1.00 0.00 C ATOM 1072 O VAL A 67 105.364 3.284 7.992 1.00 0.00 O ATOM 1073 CB VAL A 67 107.853 1.084 8.008 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.349 2.222 8.856 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.616 -0.131 8.847 1.00 0.00 C ATOM 0 H VAL A 67 106.851 3.409 6.563 1.00 0.00 H new ATOM 0 HA VAL A 67 106.265 0.524 6.693 1.00 0.00 H new ATOM 0 HB VAL A 67 108.639 0.858 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.223 1.900 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 67 108.621 3.061 8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 67 107.564 2.531 9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.513 -0.356 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 67 106.784 0.053 9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.377 -0.977 8.203 1.00 0.00 H new ATOM 1085 N ASN A 68 104.646 1.249 8.631 1.00 0.00 N ATOM 1086 CA ASN A 68 103.524 1.714 9.489 1.00 0.00 C ATOM 1087 C ASN A 68 103.818 2.998 10.271 1.00 0.00 C ATOM 1088 O ASN A 68 104.702 3.051 11.135 1.00 0.00 O ATOM 1089 CB ASN A 68 103.008 0.619 10.458 1.00 0.00 C ATOM 1090 CG ASN A 68 104.026 0.110 11.473 1.00 0.00 C ATOM 1091 OD1 ASN A 68 105.219 0.023 11.205 1.00 0.00 O ATOM 1092 ND2 ASN A 68 103.560 -0.200 12.647 1.00 0.00 N ATOM 0 H ASN A 68 104.711 0.233 8.565 1.00 0.00 H new ATOM 0 HA ASN A 68 102.736 1.946 8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.147 1.013 10.999 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.655 -0.227 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 68 104.193 -0.527 13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.561 -0.116 12.838 1.00 0.00 H new ATOM 1099 N ASP A 69 103.105 4.046 9.883 1.00 0.00 N ATOM 1100 CA ASP A 69 103.138 5.365 10.509 1.00 0.00 C ATOM 1101 C ASP A 69 104.479 6.068 10.400 1.00 0.00 C ATOM 1102 O ASP A 69 104.753 7.012 11.143 1.00 0.00 O ATOM 1103 CB ASP A 69 102.687 5.320 11.974 1.00 0.00 C ATOM 1104 CG ASP A 69 101.210 5.080 12.141 1.00 0.00 C ATOM 1105 OD1 ASP A 69 100.438 6.059 12.125 1.00 0.00 O ATOM 1106 OD2 ASP A 69 100.780 3.906 12.267 1.00 0.00 O ATOM 0 H ASP A 69 102.462 4.001 9.093 1.00 0.00 H new ATOM 0 HA ASP A 69 102.424 5.956 9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 69 103.236 4.532 12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 69 102.951 6.261 12.456 1.00 0.00 H new ATOM 1111 N THR A 70 105.336 5.610 9.533 1.00 0.00 N ATOM 1112 CA THR A 70 106.607 6.236 9.360 1.00 0.00 C ATOM 1113 C THR A 70 107.053 6.261 7.896 1.00 0.00 C ATOM 1114 O THR A 70 107.125 5.234 7.204 1.00 0.00 O ATOM 1115 CB THR A 70 107.675 5.586 10.257 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.262 5.687 11.631 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.012 6.272 10.092 1.00 0.00 C ATOM 0 H THR A 70 105.173 4.801 8.934 1.00 0.00 H new ATOM 0 HA THR A 70 106.490 7.274 9.670 1.00 0.00 H new ATOM 0 HB THR A 70 107.782 4.541 9.966 1.00 0.00 H new ATOM 0 HG1 THR A 70 107.938 5.273 12.207 1.00 0.00 H new ATOM 0 HG21 THR A 70 109.749 5.793 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.334 6.196 9.054 1.00 0.00 H new ATOM 0 HG23 THR A 70 108.918 7.323 10.366 1.00 0.00 H new ATOM 1125 N CYS A 71 107.343 7.434 7.452 1.00 0.00 N ATOM 1126 CA CYS A 71 107.834 7.682 6.136 1.00 0.00 C ATOM 1127 C CYS A 71 109.314 7.379 6.126 1.00 0.00 C ATOM 1128 O CYS A 71 110.102 8.096 6.725 1.00 0.00 O ATOM 1129 CB CYS A 71 107.581 9.146 5.798 1.00 0.00 C ATOM 1130 SG CYS A 71 107.971 9.610 4.107 1.00 0.00 S ATOM 0 H CYS A 71 107.242 8.280 8.014 1.00 0.00 H new ATOM 0 HA CYS A 71 107.334 7.057 5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.532 9.372 5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.169 9.767 6.474 1.00 0.00 H new ATOM 0 HG CYS A 71 106.921 9.444 3.358 1.00 0.00 H new ATOM 1136 N VAL A 72 109.684 6.301 5.472 1.00 0.00 N ATOM 1137 CA VAL A 72 111.059 5.878 5.401 1.00 0.00 C ATOM 1138 C VAL A 72 111.732 6.603 4.234 1.00 0.00 C ATOM 1139 O VAL A 72 112.941 6.475 3.991 1.00 0.00 O ATOM 1140 CB VAL A 72 111.161 4.318 5.260 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.597 3.832 5.295 1.00 0.00 C ATOM 1142 CG2 VAL A 72 110.382 3.642 6.362 1.00 0.00 C ATOM 0 H VAL A 72 109.035 5.692 4.973 1.00 0.00 H new ATOM 0 HA VAL A 72 111.576 6.138 6.325 1.00 0.00 H new ATOM 0 HB VAL A 72 110.740 4.058 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.616 2.747 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 72 113.154 4.283 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.054 4.116 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 72 110.461 2.560 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 72 110.787 3.939 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 72 109.335 3.937 6.301 1.00 0.00 H new ATOM 1152 N LEU A 73 110.947 7.394 3.515 1.00 0.00 N ATOM 1153 CA LEU A 73 111.519 8.202 2.478 1.00 0.00 C ATOM 1154 C LEU A 73 112.395 9.227 3.087 1.00 0.00 C ATOM 1155 O LEU A 73 111.977 9.996 3.962 1.00 0.00 O ATOM 1156 CB LEU A 73 110.523 8.896 1.563 1.00 0.00 C ATOM 1157 CG LEU A 73 109.643 8.035 0.677 1.00 0.00 C ATOM 1158 CD1 LEU A 73 110.409 6.900 0.027 1.00 0.00 C ATOM 1159 CD2 LEU A 73 108.405 7.570 1.387 1.00 0.00 C ATOM 0 H LEU A 73 109.938 7.485 3.635 1.00 0.00 H new ATOM 0 HA LEU A 73 112.068 7.506 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 73 109.871 9.509 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 73 111.080 9.576 0.919 1.00 0.00 H new ATOM 0 HG LEU A 73 109.304 8.673 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.733 6.315 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 73 111.210 7.308 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 73 110.836 6.260 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.807 6.957 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.686 6.980 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.822 8.434 1.705 1.00 0.00 H new ATOM 1171 N GLY A 74 113.599 9.209 2.665 1.00 0.00 N ATOM 1172 CA GLY A 74 114.556 10.127 3.155 1.00 0.00 C ATOM 1173 C GLY A 74 115.156 9.732 4.469 1.00 0.00 C ATOM 1174 O GLY A 74 115.886 10.529 5.080 1.00 0.00 O ATOM 0 H GLY A 74 113.953 8.555 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 74 115.353 10.233 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 74 114.087 11.105 3.260 1.00 0.00 H new ATOM 1178 N HIS A 75 114.885 8.518 4.918 1.00 0.00 N ATOM 1179 CA HIS A 75 115.390 8.066 6.142 1.00 0.00 C ATOM 1180 C HIS A 75 116.836 7.729 5.978 1.00 0.00 C ATOM 1181 O HIS A 75 117.197 6.812 5.255 1.00 0.00 O ATOM 1182 CB HIS A 75 114.610 6.873 6.624 1.00 0.00 C ATOM 1183 CG HIS A 75 113.824 7.094 7.861 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.576 7.672 7.907 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.135 6.788 9.121 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.183 7.697 9.171 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.100 7.170 9.959 1.00 0.00 N ATOM 0 H HIS A 75 114.306 7.841 4.422 1.00 0.00 H new ATOM 0 HA HIS A 75 115.290 8.851 6.892 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.931 6.558 5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.304 6.050 6.795 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.047 8.020 7.108 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.052 6.315 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.239 8.095 9.511 1.00 0.00 H new ATOM 1195 N THR A 76 117.638 8.529 6.596 1.00 0.00 N ATOM 1196 CA THR A 76 119.070 8.375 6.611 1.00 0.00 C ATOM 1197 C THR A 76 119.424 7.056 7.273 1.00 0.00 C ATOM 1198 O THR A 76 118.663 6.629 8.137 1.00 0.00 O ATOM 1199 CB THR A 76 119.694 9.542 7.420 1.00 0.00 C ATOM 1200 OG1 THR A 76 119.346 10.794 6.820 1.00 0.00 O ATOM 1201 CG2 THR A 76 121.211 9.442 7.559 1.00 0.00 C ATOM 0 H THR A 76 117.313 9.338 7.125 1.00 0.00 H new ATOM 0 HA THR A 76 119.456 8.386 5.592 1.00 0.00 H new ATOM 0 HB THR A 76 119.281 9.475 8.427 1.00 0.00 H new ATOM 0 HG1 THR A 76 119.733 10.845 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 76 121.580 10.290 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 76 121.469 8.515 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.668 9.449 6.570 1.00 0.00 H new ATOM 1209 N HIS A 77 120.524 6.421 6.892 1.00 0.00 N ATOM 1210 CA HIS A 77 120.921 5.124 7.449 1.00 0.00 C ATOM 1211 C HIS A 77 120.839 5.115 8.969 1.00 0.00 C ATOM 1212 O HIS A 77 120.259 4.220 9.546 1.00 0.00 O ATOM 1213 CB HIS A 77 122.338 4.759 6.974 1.00 0.00 C ATOM 1214 CG HIS A 77 122.945 3.536 7.654 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.618 2.233 7.353 1.00 0.00 N ATOM 1216 CD2 HIS A 77 123.859 3.458 8.658 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.321 1.431 8.151 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.093 2.125 8.967 1.00 0.00 N ATOM 0 H HIS A 77 121.169 6.785 6.190 1.00 0.00 H new ATOM 0 HA HIS A 77 120.221 4.372 7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.312 4.584 5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.994 5.613 7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.330 4.302 9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.267 0.353 8.133 1.00 0.00 H new ATOM 0 HE2 HIS A 77 124.728 1.758 9.676 1.00 0.00 H new ATOM 1226 N ALA A 78 121.316 6.176 9.574 1.00 0.00 N ATOM 1227 CA ALA A 78 121.341 6.317 11.007 1.00 0.00 C ATOM 1228 C ALA A 78 119.917 6.343 11.586 1.00 0.00 C ATOM 1229 O ALA A 78 119.648 5.770 12.641 1.00 0.00 O ATOM 1230 CB ALA A 78 122.088 7.586 11.356 1.00 0.00 C ATOM 0 H ALA A 78 121.703 6.977 9.075 1.00 0.00 H new ATOM 0 HA ALA A 78 121.850 5.459 11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.115 7.706 12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.106 7.526 10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.581 8.441 10.909 1.00 0.00 H new ATOM 1236 N GLN A 79 119.004 6.952 10.853 1.00 0.00 N ATOM 1237 CA GLN A 79 117.645 7.097 11.312 1.00 0.00 C ATOM 1238 C GLN A 79 116.876 5.800 11.103 1.00 0.00 C ATOM 1239 O GLN A 79 116.196 5.298 12.011 1.00 0.00 O ATOM 1240 CB GLN A 79 116.923 8.229 10.578 1.00 0.00 C ATOM 1241 CG GLN A 79 117.541 9.620 10.709 1.00 0.00 C ATOM 1242 CD GLN A 79 117.864 10.010 12.131 1.00 0.00 C ATOM 1243 OE1 GLN A 79 117.035 10.547 12.855 1.00 0.00 O ATOM 1244 NE2 GLN A 79 119.091 9.794 12.513 1.00 0.00 N ATOM 0 H GLN A 79 119.185 7.354 9.933 1.00 0.00 H new ATOM 0 HA GLN A 79 117.684 7.339 12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.874 7.974 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.897 8.274 10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.454 9.660 10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.854 10.354 10.288 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.751 9.344 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 79 119.392 10.075 13.446 1.00 0.00 H new ATOM 1253 N VAL A 80 116.997 5.261 9.906 1.00 0.00 N ATOM 1254 CA VAL A 80 116.319 4.039 9.548 1.00 0.00 C ATOM 1255 C VAL A 80 116.817 2.861 10.396 1.00 0.00 C ATOM 1256 O VAL A 80 116.010 2.072 10.896 1.00 0.00 O ATOM 1257 CB VAL A 80 116.385 3.738 8.011 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.804 3.507 7.532 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.483 2.565 7.668 1.00 0.00 C ATOM 0 H VAL A 80 117.567 5.659 9.159 1.00 0.00 H new ATOM 0 HA VAL A 80 115.262 4.181 9.775 1.00 0.00 H new ATOM 0 HB VAL A 80 116.023 4.620 7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.798 3.302 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.403 4.396 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.233 2.656 8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.537 2.365 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 80 115.808 1.683 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.455 2.804 7.941 1.00 0.00 H new ATOM 1269 N VAL A 81 118.138 2.800 10.634 1.00 0.00 N ATOM 1270 CA VAL A 81 118.721 1.733 11.449 1.00 0.00 C ATOM 1271 C VAL A 81 118.208 1.840 12.874 1.00 0.00 C ATOM 1272 O VAL A 81 117.923 0.839 13.512 1.00 0.00 O ATOM 1273 CB VAL A 81 120.306 1.689 11.412 1.00 0.00 C ATOM 1274 CG1 VAL A 81 120.963 2.826 12.182 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.835 0.357 11.891 1.00 0.00 C ATOM 0 H VAL A 81 118.814 3.474 10.274 1.00 0.00 H new ATOM 0 HA VAL A 81 118.399 0.789 11.010 1.00 0.00 H new ATOM 0 HB VAL A 81 120.576 1.821 10.364 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.047 2.733 12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.653 3.780 11.756 1.00 0.00 H new ATOM 0 HG13 VAL A 81 120.660 2.780 13.228 1.00 0.00 H new ATOM 0 HG21 VAL A 81 121.924 0.363 11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.509 0.184 12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.453 -0.438 11.250 1.00 0.00 H new ATOM 1285 N LYS A 82 118.033 3.065 13.331 1.00 0.00 N ATOM 1286 CA LYS A 82 117.500 3.333 14.635 1.00 0.00 C ATOM 1287 C LYS A 82 116.110 2.685 14.821 1.00 0.00 C ATOM 1288 O LYS A 82 115.887 1.975 15.792 1.00 0.00 O ATOM 1289 CB LYS A 82 117.513 4.868 14.865 1.00 0.00 C ATOM 1290 CG LYS A 82 116.793 5.405 16.114 1.00 0.00 C ATOM 1291 CD LYS A 82 115.308 5.697 15.856 1.00 0.00 C ATOM 1292 CE LYS A 82 115.106 6.895 14.915 1.00 0.00 C ATOM 1293 NZ LYS A 82 115.559 8.174 15.519 1.00 0.00 N ATOM 0 H LYS A 82 118.261 3.903 12.796 1.00 0.00 H new ATOM 0 HA LYS A 82 118.123 2.874 15.403 1.00 0.00 H new ATOM 0 HB2 LYS A 82 118.553 5.193 14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.069 5.343 13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 82 116.882 4.678 16.922 1.00 0.00 H new ATOM 0 HG3 LYS A 82 117.286 6.317 16.450 1.00 0.00 H new ATOM 0 HD2 LYS A 82 114.836 4.815 15.424 1.00 0.00 H new ATOM 0 HD3 LYS A 82 114.808 5.894 16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 82 115.652 6.721 13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 82 114.051 6.974 14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 115.236 8.969 14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 115.162 8.266 16.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 116.598 8.184 15.573 1.00 0.00 H new ATOM 1307 N ILE A 83 115.218 2.865 13.862 1.00 0.00 N ATOM 1308 CA ILE A 83 113.859 2.343 14.006 1.00 0.00 C ATOM 1309 C ILE A 83 113.867 0.832 13.852 1.00 0.00 C ATOM 1310 O ILE A 83 113.359 0.070 14.706 1.00 0.00 O ATOM 1311 CB ILE A 83 112.884 2.958 12.968 1.00 0.00 C ATOM 1312 CG1 ILE A 83 112.878 4.487 13.085 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.466 2.388 13.140 1.00 0.00 C ATOM 1314 CD1 ILE A 83 111.882 5.173 12.185 1.00 0.00 C ATOM 0 H ILE A 83 115.399 3.359 12.988 1.00 0.00 H new ATOM 0 HA ILE A 83 113.509 2.619 15.001 1.00 0.00 H new ATOM 0 HB ILE A 83 113.230 2.690 11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 83 112.665 4.760 14.118 1.00 0.00 H new ATOM 0 HG13 ILE A 83 113.876 4.861 12.856 1.00 0.00 H new ATOM 0 HG21 ILE A 83 110.802 2.835 12.400 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.489 1.307 13.001 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.101 2.617 14.141 1.00 0.00 H new ATOM 0 HD11 ILE A 83 111.943 6.252 12.330 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.106 4.934 11.145 1.00 0.00 H new ATOM 0 HD13 ILE A 83 110.876 4.831 12.428 1.00 0.00 H new ATOM 1326 N PHE A 84 114.492 0.428 12.791 1.00 0.00 N ATOM 1327 CA PHE A 84 114.544 -0.930 12.355 1.00 0.00 C ATOM 1328 C PHE A 84 115.260 -1.864 13.321 1.00 0.00 C ATOM 1329 O PHE A 84 114.836 -2.994 13.505 1.00 0.00 O ATOM 1330 CB PHE A 84 115.130 -0.973 10.950 1.00 0.00 C ATOM 1331 CG PHE A 84 114.118 -0.702 9.850 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.296 0.416 9.886 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.968 -1.587 8.799 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.358 0.641 8.898 1.00 0.00 C ATOM 1335 CE2 PHE A 84 113.030 -1.370 7.813 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.227 -0.257 7.863 1.00 0.00 C ATOM 0 H PHE A 84 115.002 1.065 12.179 1.00 0.00 H new ATOM 0 HA PHE A 84 113.525 -1.316 12.333 1.00 0.00 H new ATOM 0 HB2 PHE A 84 115.933 -0.239 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.578 -1.953 10.784 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.392 1.120 10.699 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.597 -2.464 8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.729 1.518 8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.926 -2.075 7.001 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.492 -0.086 7.090 1.00 0.00 H new ATOM 1346 N GLN A 85 116.323 -1.404 13.940 1.00 0.00 N ATOM 1347 CA GLN A 85 117.038 -2.244 14.877 1.00 0.00 C ATOM 1348 C GLN A 85 116.444 -2.172 16.284 1.00 0.00 C ATOM 1349 O GLN A 85 116.662 -3.066 17.104 1.00 0.00 O ATOM 1350 CB GLN A 85 118.539 -1.958 14.853 1.00 0.00 C ATOM 1351 CG GLN A 85 119.170 -2.160 13.480 1.00 0.00 C ATOM 1352 CD GLN A 85 119.108 -3.583 12.938 1.00 0.00 C ATOM 1353 OE1 GLN A 85 118.213 -4.373 13.248 1.00 0.00 O ATOM 1354 NE2 GLN A 85 120.036 -3.901 12.101 1.00 0.00 N ATOM 0 H GLN A 85 116.708 -0.468 13.816 1.00 0.00 H new ATOM 0 HA GLN A 85 116.912 -3.276 14.551 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.711 -0.932 15.177 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.037 -2.607 15.573 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.676 -1.497 12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.215 -1.853 13.530 1.00 0.00 H new ATOM 0 HE21 GLN A 85 120.763 -3.226 11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 85 120.043 -4.828 11.675 1.00 0.00 H new ATOM 1363 N SER A 86 115.681 -1.114 16.570 1.00 0.00 N ATOM 1364 CA SER A 86 114.987 -1.030 17.854 1.00 0.00 C ATOM 1365 C SER A 86 113.773 -1.954 17.871 1.00 0.00 C ATOM 1366 O SER A 86 113.227 -2.261 18.947 1.00 0.00 O ATOM 1367 CB SER A 86 114.583 0.399 18.173 1.00 0.00 C ATOM 1368 OG SER A 86 115.734 1.223 18.279 1.00 0.00 O ATOM 0 H SER A 86 115.531 -0.322 15.945 1.00 0.00 H new ATOM 0 HA SER A 86 115.680 -1.358 18.629 1.00 0.00 H new ATOM 0 HB2 SER A 86 113.924 0.781 17.393 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.021 0.426 19.106 1.00 0.00 H new ATOM 0 HG SER A 86 116.115 1.369 17.388 1.00 0.00 H new ATOM 1374 N ILE A 87 113.351 -2.361 16.673 1.00 0.00 N ATOM 1375 CA ILE A 87 112.290 -3.317 16.462 1.00 0.00 C ATOM 1376 C ILE A 87 112.383 -4.563 17.394 1.00 0.00 C ATOM 1377 O ILE A 87 113.468 -5.121 17.604 1.00 0.00 O ATOM 1378 CB ILE A 87 112.240 -3.748 14.963 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.431 -2.765 14.121 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.788 -5.156 14.739 1.00 0.00 C ATOM 1381 CD1 ILE A 87 110.971 -3.348 12.798 1.00 0.00 C ATOM 0 H ILE A 87 113.758 -2.017 15.803 1.00 0.00 H new ATOM 0 HA ILE A 87 111.360 -2.813 16.726 1.00 0.00 H new ATOM 0 HB ILE A 87 113.277 -3.721 14.627 1.00 0.00 H new ATOM 0 HG12 ILE A 87 110.560 -2.441 14.690 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.035 -1.878 13.929 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.783 -5.371 13.670 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.469 -5.841 15.244 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.782 -5.283 15.139 1.00 0.00 H new ATOM 0 HD11 ILE A 87 110.402 -2.598 12.248 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.839 -3.647 12.211 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.341 -4.218 12.983 1.00 0.00 H new ATOM 1393 N PRO A 88 111.240 -4.985 17.977 1.00 0.00 N ATOM 1394 CA PRO A 88 111.151 -6.140 18.871 1.00 0.00 C ATOM 1395 C PRO A 88 110.669 -7.408 18.136 1.00 0.00 C ATOM 1396 O PRO A 88 110.042 -7.346 17.081 1.00 0.00 O ATOM 1397 CB PRO A 88 110.093 -5.670 19.873 1.00 0.00 C ATOM 1398 CG PRO A 88 109.207 -4.707 19.112 1.00 0.00 C ATOM 1399 CD PRO A 88 109.915 -4.366 17.813 1.00 0.00 C ATOM 0 HA PRO A 88 112.109 -6.419 19.311 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.517 -6.512 20.258 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.556 -5.182 20.731 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.234 -5.157 18.912 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.027 -3.806 19.699 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.387 -4.769 16.949 1.00 0.00 H new ATOM 0 HD3 PRO A 88 109.990 -3.288 17.666 1.00 0.00 H new ATOM 1407 N ILE A 89 111.041 -8.544 18.667 1.00 0.00 N ATOM 1408 CA ILE A 89 110.660 -9.841 18.120 1.00 0.00 C ATOM 1409 C ILE A 89 109.153 -10.080 18.316 1.00 0.00 C ATOM 1410 O ILE A 89 108.594 -9.673 19.335 1.00 0.00 O ATOM 1411 CB ILE A 89 111.411 -10.984 18.837 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.870 -10.605 19.069 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.308 -12.272 18.043 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.702 -11.654 19.724 1.00 0.00 C ATOM 0 H ILE A 89 111.624 -8.606 19.502 1.00 0.00 H new ATOM 0 HA ILE A 89 110.914 -9.834 17.060 1.00 0.00 H new ATOM 0 HB ILE A 89 110.943 -11.146 19.808 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.320 -10.354 18.109 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.902 -9.704 19.681 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.844 -13.065 18.565 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.260 -12.551 17.937 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.747 -12.127 17.056 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.721 -11.287 19.844 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.284 -11.891 20.702 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.710 -12.551 19.105 1.00 0.00 H new ATOM 1426 N GLY A 90 108.509 -10.716 17.347 1.00 0.00 N ATOM 1427 CA GLY A 90 107.112 -11.063 17.498 1.00 0.00 C ATOM 1428 C GLY A 90 106.211 -9.941 17.081 1.00 0.00 C ATOM 1429 O GLY A 90 105.001 -9.970 17.329 1.00 0.00 O ATOM 0 H GLY A 90 108.929 -10.997 16.461 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.891 -11.948 16.901 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.912 -11.322 18.538 1.00 0.00 H new ATOM 1433 N ALA A 91 106.776 -8.956 16.438 1.00 0.00 N ATOM 1434 CA ALA A 91 106.015 -7.738 16.147 1.00 0.00 C ATOM 1435 C ALA A 91 105.609 -7.656 14.666 1.00 0.00 C ATOM 1436 O ALA A 91 105.776 -8.620 13.918 1.00 0.00 O ATOM 1437 CB ALA A 91 106.777 -6.509 16.625 1.00 0.00 C ATOM 0 H ALA A 91 107.740 -8.955 16.105 1.00 0.00 H new ATOM 0 HA ALA A 91 105.079 -7.774 16.705 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.199 -5.613 16.402 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.940 -6.577 17.701 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.739 -6.456 16.115 1.00 0.00 H new ATOM 1443 N SER A 92 105.092 -6.528 14.241 1.00 0.00 N ATOM 1444 CA SER A 92 104.512 -6.412 12.907 1.00 0.00 C ATOM 1445 C SER A 92 104.648 -5.015 12.338 1.00 0.00 C ATOM 1446 O SER A 92 104.461 -4.047 13.056 1.00 0.00 O ATOM 1447 CB SER A 92 103.042 -6.823 12.972 1.00 0.00 C ATOM 1448 OG SER A 92 102.332 -6.097 13.976 1.00 0.00 O ATOM 0 H SER A 92 105.057 -5.671 14.794 1.00 0.00 H new ATOM 0 HA SER A 92 105.060 -7.074 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.574 -6.654 12.002 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.972 -7.891 13.178 1.00 0.00 H new ATOM 0 HG SER A 92 101.395 -6.385 13.987 1.00 0.00 H new ATOM 1454 N VAL A 93 104.980 -4.911 11.065 1.00 0.00 N ATOM 1455 CA VAL A 93 104.951 -3.623 10.400 1.00 0.00 C ATOM 1456 C VAL A 93 104.278 -3.741 9.106 1.00 0.00 C ATOM 1457 O VAL A 93 104.297 -4.796 8.490 1.00 0.00 O ATOM 1458 CB VAL A 93 106.320 -2.951 10.130 1.00 0.00 C ATOM 1459 CG1 VAL A 93 107.067 -2.588 11.373 1.00 0.00 C ATOM 1460 CG2 VAL A 93 107.180 -3.719 9.116 1.00 0.00 C ATOM 0 H VAL A 93 105.269 -5.693 10.477 1.00 0.00 H new ATOM 0 HA VAL A 93 104.424 -2.988 11.112 1.00 0.00 H new ATOM 0 HB VAL A 93 106.078 -2.000 9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 93 108.015 -2.122 11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 93 106.474 -1.889 11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 93 107.257 -3.487 11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 93 108.125 -3.196 8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.375 -4.724 9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.651 -3.783 8.165 1.00 0.00 H new ATOM 1470 N ASP A 94 103.715 -2.673 8.706 1.00 0.00 N ATOM 1471 CA ASP A 94 103.123 -2.530 7.428 1.00 0.00 C ATOM 1472 C ASP A 94 104.182 -1.930 6.573 1.00 0.00 C ATOM 1473 O ASP A 94 104.526 -0.779 6.749 1.00 0.00 O ATOM 1474 CB ASP A 94 101.948 -1.569 7.523 1.00 0.00 C ATOM 1475 CG ASP A 94 100.805 -2.089 8.359 1.00 0.00 C ATOM 1476 OD1 ASP A 94 99.968 -2.869 7.849 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.715 -1.732 9.554 1.00 0.00 O ATOM 0 H ASP A 94 103.648 -1.833 9.281 1.00 0.00 H new ATOM 0 HA ASP A 94 102.760 -3.478 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 94 102.295 -0.626 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.583 -1.354 6.518 1.00 0.00 H new ATOM 1482 N LEU A 95 104.733 -2.684 5.702 1.00 0.00 N ATOM 1483 CA LEU A 95 105.822 -2.212 4.937 1.00 0.00 C ATOM 1484 C LEU A 95 105.353 -1.830 3.550 1.00 0.00 C ATOM 1485 O LEU A 95 104.758 -2.639 2.826 1.00 0.00 O ATOM 1486 CB LEU A 95 106.883 -3.288 4.879 1.00 0.00 C ATOM 1487 CG LEU A 95 108.304 -2.826 4.651 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.780 -1.985 5.840 1.00 0.00 C ATOM 1489 CD2 LEU A 95 109.181 -4.034 4.482 1.00 0.00 C ATOM 0 H LEU A 95 104.445 -3.641 5.499 1.00 0.00 H new ATOM 0 HA LEU A 95 106.248 -1.322 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.853 -3.847 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.619 -3.984 4.083 1.00 0.00 H new ATOM 0 HG LEU A 95 108.354 -2.208 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.805 -1.657 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 95 108.134 -1.114 5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.740 -2.585 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 95 110.210 -3.716 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 95 109.131 -4.648 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.839 -4.615 3.626 1.00 0.00 H new ATOM 1501 N GLU A 96 105.605 -0.614 3.201 1.00 0.00 N ATOM 1502 CA GLU A 96 105.217 -0.067 1.937 1.00 0.00 C ATOM 1503 C GLU A 96 106.450 -0.017 1.064 1.00 0.00 C ATOM 1504 O GLU A 96 107.427 0.688 1.382 1.00 0.00 O ATOM 1505 CB GLU A 96 104.648 1.322 2.165 1.00 0.00 C ATOM 1506 CG GLU A 96 104.127 2.030 0.937 1.00 0.00 C ATOM 1507 CD GLU A 96 103.522 3.357 1.297 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.306 3.396 1.609 1.00 0.00 O ATOM 1509 OE2 GLU A 96 104.248 4.374 1.331 1.00 0.00 O ATOM 0 H GLU A 96 106.099 0.048 3.800 1.00 0.00 H new ATOM 0 HA GLU A 96 104.454 -0.673 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 96 103.837 1.247 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 96 105.423 1.941 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.940 2.178 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.380 1.408 0.443 1.00 0.00 H new ATOM 1516 N LEU A 97 106.439 -0.772 0.013 1.00 0.00 N ATOM 1517 CA LEU A 97 107.587 -0.883 -0.836 1.00 0.00 C ATOM 1518 C LEU A 97 107.170 -0.962 -2.285 1.00 0.00 C ATOM 1519 O LEU A 97 106.013 -1.273 -2.595 1.00 0.00 O ATOM 1520 CB LEU A 97 108.517 -2.057 -0.391 1.00 0.00 C ATOM 1521 CG LEU A 97 108.059 -3.541 -0.531 1.00 0.00 C ATOM 1522 CD1 LEU A 97 109.013 -4.402 0.253 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.654 -3.792 -0.017 1.00 0.00 C ATOM 0 H LEU A 97 105.637 -1.329 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 97 108.188 0.021 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.448 -1.956 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.756 -1.894 0.660 1.00 0.00 H new ATOM 0 HG LEU A 97 108.058 -3.781 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.713 -5.447 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 97 110.021 -4.282 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.997 -4.102 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.402 -4.845 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.602 -3.533 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.947 -3.179 -0.576 1.00 0.00 H new ATOM 1535 N CYS A 98 108.064 -0.651 -3.154 1.00 0.00 N ATOM 1536 CA CYS A 98 107.739 -0.612 -4.536 1.00 0.00 C ATOM 1537 C CYS A 98 108.658 -1.563 -5.295 1.00 0.00 C ATOM 1538 O CYS A 98 109.851 -1.649 -5.011 1.00 0.00 O ATOM 1539 CB CYS A 98 107.866 0.828 -5.031 1.00 0.00 C ATOM 1540 SG CYS A 98 106.980 1.190 -6.550 1.00 0.00 S ATOM 0 H CYS A 98 109.032 -0.418 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 98 106.713 -0.939 -4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 98 107.506 1.498 -4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 98 108.922 1.053 -5.182 1.00 0.00 H new ATOM 0 HG CYS A 98 106.511 0.087 -7.052 1.00 0.00 H new ATOM 1546 N ARG A 99 108.108 -2.249 -6.239 1.00 0.00 N ATOM 1547 CA ARG A 99 108.816 -3.254 -6.984 1.00 0.00 C ATOM 1548 C ARG A 99 109.017 -2.764 -8.397 1.00 0.00 C ATOM 1549 O ARG A 99 108.131 -2.172 -8.950 1.00 0.00 O ATOM 1550 CB ARG A 99 107.968 -4.512 -7.044 1.00 0.00 C ATOM 1551 CG ARG A 99 108.651 -5.682 -7.694 1.00 0.00 C ATOM 1552 CD ARG A 99 109.727 -6.230 -6.807 1.00 0.00 C ATOM 1553 NE ARG A 99 109.167 -6.829 -5.639 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.879 -8.083 -5.473 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.875 -8.922 -6.506 1.00 0.00 N ATOM 1556 NH2 ARG A 99 108.579 -8.492 -4.271 1.00 0.00 N ATOM 0 H ARG A 99 107.136 -2.131 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 99 109.774 -3.458 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.679 -4.791 -6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 99 107.050 -4.293 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.920 -6.461 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.081 -5.374 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.314 -6.968 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.409 -5.430 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 99 108.973 -6.207 -4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.100 -8.581 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.647 -9.906 -6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.575 -7.832 -3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.348 -9.472 -4.109 1.00 0.00 H new ATOM 1570 N GLY A 100 110.142 -3.047 -8.983 1.00 0.00 N ATOM 1571 CA GLY A 100 110.371 -2.624 -10.339 1.00 0.00 C ATOM 1572 C GLY A 100 111.804 -2.295 -10.584 1.00 0.00 C ATOM 1573 O GLY A 100 112.254 -2.257 -11.725 1.00 0.00 O ATOM 0 H GLY A 100 110.910 -3.563 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 100 110.057 -3.413 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.756 -1.751 -10.556 1.00 0.00 H new ATOM 1577 N TYR A 101 112.526 -2.077 -9.526 1.00 0.00 N ATOM 1578 CA TYR A 101 113.921 -1.727 -9.608 1.00 0.00 C ATOM 1579 C TYR A 101 114.819 -2.927 -9.414 1.00 0.00 C ATOM 1580 O TYR A 101 114.818 -3.534 -8.353 1.00 0.00 O ATOM 1581 CB TYR A 101 114.273 -0.668 -8.561 1.00 0.00 C ATOM 1582 CG TYR A 101 113.738 0.701 -8.868 1.00 0.00 C ATOM 1583 CD1 TYR A 101 112.415 1.028 -8.627 1.00 0.00 C ATOM 1584 CD2 TYR A 101 114.568 1.669 -9.411 1.00 0.00 C ATOM 1585 CE1 TYR A 101 111.934 2.279 -8.917 1.00 0.00 C ATOM 1586 CE2 TYR A 101 114.093 2.922 -9.705 1.00 0.00 C ATOM 1587 CZ TYR A 101 112.779 3.223 -9.456 1.00 0.00 C ATOM 1588 OH TYR A 101 112.301 4.462 -9.753 1.00 0.00 O ATOM 0 H TYR A 101 112.166 -2.136 -8.574 1.00 0.00 H new ATOM 0 HA TYR A 101 114.087 -1.330 -10.609 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.888 -0.988 -7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.358 -0.610 -8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 101 111.752 0.287 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 101 115.604 1.433 -9.606 1.00 0.00 H new ATOM 0 HE1 TYR A 101 110.900 2.522 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 101 114.750 3.666 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 101 111.615 4.390 -10.449 1.00 0.00 H new ATOM 1598 N PRO A 102 115.530 -3.349 -10.441 1.00 0.00 N ATOM 1599 CA PRO A 102 116.584 -4.315 -10.273 1.00 0.00 C ATOM 1600 C PRO A 102 117.781 -3.546 -9.747 1.00 0.00 C ATOM 1601 O PRO A 102 118.085 -2.489 -10.296 1.00 0.00 O ATOM 1602 CB PRO A 102 116.862 -4.822 -11.704 1.00 0.00 C ATOM 1603 CG PRO A 102 115.843 -4.162 -12.581 1.00 0.00 C ATOM 1604 CD PRO A 102 115.376 -2.945 -11.843 1.00 0.00 C ATOM 0 HA PRO A 102 116.354 -5.139 -9.597 1.00 0.00 H new ATOM 0 HB2 PRO A 102 117.873 -4.565 -12.019 1.00 0.00 H new ATOM 0 HB3 PRO A 102 116.778 -5.907 -11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 102 116.276 -3.890 -13.544 1.00 0.00 H new ATOM 0 HG3 PRO A 102 115.011 -4.836 -12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 102 115.979 -2.069 -12.082 1.00 0.00 H new ATOM 0 HD3 PRO A 102 114.342 -2.696 -12.083 1.00 0.00 H new ATOM 1612 N LEU A 103 118.406 -4.058 -8.671 1.00 0.00 N ATOM 1613 CA LEU A 103 119.554 -3.418 -7.963 1.00 0.00 C ATOM 1614 C LEU A 103 120.535 -2.816 -8.997 1.00 0.00 C ATOM 1615 O LEU A 103 121.348 -3.538 -9.593 1.00 0.00 O ATOM 1616 CB LEU A 103 120.263 -4.508 -7.135 1.00 0.00 C ATOM 1617 CG LEU A 103 120.558 -4.234 -5.652 1.00 0.00 C ATOM 1618 CD1 LEU A 103 121.466 -3.034 -5.445 1.00 0.00 C ATOM 1619 CD2 LEU A 103 119.266 -4.077 -4.881 1.00 0.00 C ATOM 0 H LEU A 103 118.129 -4.946 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 103 119.205 -2.616 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 103 119.656 -5.412 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 103 121.211 -4.731 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 103 121.099 -5.098 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 103 121.640 -2.889 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 103 122.418 -3.207 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 103 120.993 -2.144 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 103 119.490 -3.883 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.697 -3.243 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.679 -4.992 -4.964 1.00 0.00 H new ATOM 1631 N PRO A 104 120.465 -1.481 -9.224 1.00 0.00 N ATOM 1632 CA PRO A 104 121.178 -0.807 -10.311 1.00 0.00 C ATOM 1633 C PRO A 104 122.606 -0.428 -9.968 1.00 0.00 C ATOM 1634 O PRO A 104 123.194 0.484 -10.576 1.00 0.00 O ATOM 1635 CB PRO A 104 120.329 0.436 -10.553 1.00 0.00 C ATOM 1636 CG PRO A 104 119.738 0.766 -9.220 1.00 0.00 C ATOM 1637 CD PRO A 104 119.662 -0.525 -8.435 1.00 0.00 C ATOM 0 HA PRO A 104 121.288 -1.456 -11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 104 120.934 1.260 -10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 104 119.552 0.245 -11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 104 120.352 1.499 -8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 104 118.747 1.205 -9.336 1.00 0.00 H new ATOM 0 HD2 PRO A 104 120.064 -0.403 -7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 104 118.632 -0.865 -8.327 1.00 0.00 H new ATOM 1645 N PHE A 105 123.153 -1.115 -9.030 1.00 0.00 N ATOM 1646 CA PHE A 105 124.494 -0.932 -8.604 1.00 0.00 C ATOM 1647 C PHE A 105 124.871 -2.155 -7.847 1.00 0.00 C ATOM 1648 O PHE A 105 123.995 -2.894 -7.375 1.00 0.00 O ATOM 1649 CB PHE A 105 124.661 0.343 -7.729 1.00 0.00 C ATOM 1650 CG PHE A 105 123.854 0.386 -6.453 1.00 0.00 C ATOM 1651 CD1 PHE A 105 122.544 0.830 -6.462 1.00 0.00 C ATOM 1652 CD2 PHE A 105 124.417 -0.001 -5.245 1.00 0.00 C ATOM 1653 CE1 PHE A 105 121.810 0.884 -5.300 1.00 0.00 C ATOM 1654 CE2 PHE A 105 123.686 0.055 -4.078 1.00 0.00 C ATOM 1655 CZ PHE A 105 122.380 0.498 -4.107 1.00 0.00 C ATOM 0 H PHE A 105 122.660 -1.847 -8.519 1.00 0.00 H new ATOM 0 HA PHE A 105 125.146 -0.785 -9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 105 125.715 0.446 -7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 105 124.394 1.210 -8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 105 122.092 1.138 -7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 105 125.439 -0.350 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 105 120.787 1.229 -5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 105 124.135 -0.247 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 105 121.804 0.542 -3.194 1.00 0.00 H new ATOM 1665 N ASP A 106 126.113 -2.421 -7.765 1.00 0.00 N ATOM 1666 CA ASP A 106 126.550 -3.546 -7.023 1.00 0.00 C ATOM 1667 C ASP A 106 127.078 -3.025 -5.739 1.00 0.00 C ATOM 1668 O ASP A 106 127.920 -2.135 -5.735 1.00 0.00 O ATOM 1669 CB ASP A 106 127.660 -4.286 -7.715 1.00 0.00 C ATOM 1670 CG ASP A 106 127.334 -4.745 -9.128 1.00 0.00 C ATOM 1671 OD1 ASP A 106 127.370 -3.915 -10.074 1.00 0.00 O ATOM 1672 OD2 ASP A 106 127.065 -5.952 -9.325 1.00 0.00 O ATOM 0 H ASP A 106 126.855 -1.875 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 106 125.717 -4.238 -6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 106 128.540 -3.644 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 106 127.925 -5.158 -7.117 1.00 0.00 H new ATOM 1677 N PRO A 107 126.632 -3.539 -4.621 1.00 0.00 N ATOM 1678 CA PRO A 107 127.067 -3.093 -3.333 1.00 0.00 C ATOM 1679 C PRO A 107 128.223 -3.987 -2.901 1.00 0.00 C ATOM 1680 O PRO A 107 128.778 -3.872 -1.813 1.00 0.00 O ATOM 1681 CB PRO A 107 125.776 -3.317 -2.492 1.00 0.00 C ATOM 1682 CG PRO A 107 124.804 -3.923 -3.473 1.00 0.00 C ATOM 1683 CD PRO A 107 125.675 -4.591 -4.436 1.00 0.00 C ATOM 0 HA PRO A 107 127.435 -2.070 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 107 125.959 -3.983 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 107 125.398 -2.380 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 107 124.127 -4.626 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 107 124.186 -3.162 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 107 126.121 -5.504 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 107 125.159 -4.861 -5.357 1.00 0.00 H new ATOM 1691 N ASP A 108 128.551 -4.905 -3.813 1.00 0.00 N ATOM 1692 CA ASP A 108 129.639 -5.784 -3.694 1.00 0.00 C ATOM 1693 C ASP A 108 130.861 -5.069 -4.250 1.00 0.00 C ATOM 1694 O ASP A 108 132.011 -5.390 -3.956 1.00 0.00 O ATOM 1695 CB ASP A 108 129.381 -7.077 -4.482 1.00 0.00 C ATOM 1696 CG ASP A 108 128.291 -7.947 -3.889 1.00 0.00 C ATOM 1697 OD1 ASP A 108 127.089 -7.665 -4.100 1.00 0.00 O ATOM 1698 OD2 ASP A 108 128.604 -8.920 -3.178 1.00 0.00 O ATOM 0 H ASP A 108 128.024 -5.034 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 108 129.790 -6.060 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 108 129.111 -6.820 -5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 108 130.306 -7.652 -4.531 1.00 0.00 H new ATOM 1703 N ASP A 109 130.552 -4.070 -5.045 1.00 0.00 N ATOM 1704 CA ASP A 109 131.468 -3.211 -5.735 1.00 0.00 C ATOM 1705 C ASP A 109 131.672 -1.987 -4.827 1.00 0.00 C ATOM 1706 O ASP A 109 130.869 -1.822 -3.891 1.00 0.00 O ATOM 1707 CB ASP A 109 130.796 -2.847 -7.093 1.00 0.00 C ATOM 1708 CG ASP A 109 131.609 -2.034 -8.070 1.00 0.00 C ATOM 1709 OD1 ASP A 109 132.556 -2.584 -8.675 1.00 0.00 O ATOM 1710 OD2 ASP A 109 131.274 -0.858 -8.306 1.00 0.00 O ATOM 0 H ASP A 109 129.580 -3.825 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 109 132.441 -3.657 -5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 109 130.506 -3.775 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 109 129.878 -2.299 -6.879 1.00 0.00 H new ATOM 1715 N PRO A 110 132.768 -1.208 -4.977 1.00 0.00 N ATOM 1716 CA PRO A 110 133.072 -0.002 -4.154 1.00 0.00 C ATOM 1717 C PRO A 110 131.921 1.005 -3.904 1.00 0.00 C ATOM 1718 O PRO A 110 130.732 0.745 -4.129 1.00 0.00 O ATOM 1719 CB PRO A 110 134.147 0.679 -4.981 1.00 0.00 C ATOM 1720 CG PRO A 110 134.913 -0.453 -5.533 1.00 0.00 C ATOM 1721 CD PRO A 110 133.869 -1.466 -5.919 1.00 0.00 C ATOM 0 HA PRO A 110 133.330 -0.316 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 110 133.718 1.297 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 110 134.773 1.330 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 110 135.506 -0.147 -6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 110 135.606 -0.859 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 110 133.550 -1.338 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 110 134.246 -2.485 -5.826 1.00 0.00 H new ATOM 1729 N ASN A 111 132.329 2.178 -3.447 1.00 0.00 N ATOM 1730 CA ASN A 111 131.464 3.262 -3.058 1.00 0.00 C ATOM 1731 C ASN A 111 130.746 2.839 -1.808 1.00 0.00 C ATOM 1732 O ASN A 111 129.528 2.612 -1.778 1.00 0.00 O ATOM 1733 CB ASN A 111 130.504 3.717 -4.161 1.00 0.00 C ATOM 1734 CG ASN A 111 131.180 3.988 -5.507 1.00 0.00 C ATOM 1735 OD1 ASN A 111 130.559 3.844 -6.557 1.00 0.00 O ATOM 1736 ND2 ASN A 111 132.437 4.392 -5.502 1.00 0.00 N ATOM 0 H ASN A 111 133.318 2.403 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 111 132.070 4.148 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 111 129.738 2.954 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 111 129.995 4.624 -3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 111 132.912 4.592 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 111 132.933 4.505 -4.618 1.00 0.00 H new ATOM 1743 N THR A 112 131.536 2.701 -0.792 1.00 0.00 N ATOM 1744 CA THR A 112 131.130 2.145 0.447 1.00 0.00 C ATOM 1745 C THR A 112 130.528 3.220 1.369 1.00 0.00 C ATOM 1746 O THR A 112 130.497 4.419 1.037 1.00 0.00 O ATOM 1747 CB THR A 112 132.356 1.452 1.112 1.00 0.00 C ATOM 1748 OG1 THR A 112 131.947 0.646 2.227 1.00 0.00 O ATOM 1749 CG2 THR A 112 133.393 2.477 1.572 1.00 0.00 C ATOM 0 H THR A 112 132.516 2.984 -0.809 1.00 0.00 H new ATOM 0 HA THR A 112 130.348 1.405 0.273 1.00 0.00 H new ATOM 0 HB THR A 112 132.812 0.810 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 112 132.241 1.068 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 112 134.236 1.961 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 112 133.743 3.051 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 112 132.940 3.151 2.299 1.00 0.00 H new ATOM 1757 N SER A 113 130.088 2.770 2.517 1.00 0.00 N ATOM 1758 CA SER A 113 129.410 3.568 3.485 1.00 0.00 C ATOM 1759 C SER A 113 130.405 4.226 4.384 1.00 0.00 C ATOM 1760 O SER A 113 130.967 3.589 5.279 1.00 0.00 O ATOM 1761 CB SER A 113 128.513 2.658 4.336 1.00 0.00 C ATOM 1762 OG SER A 113 127.742 3.372 5.272 1.00 0.00 O ATOM 0 H SER A 113 130.201 1.798 2.806 1.00 0.00 H new ATOM 0 HA SER A 113 128.816 4.327 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 113 127.849 2.094 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 113 129.134 1.933 4.862 1.00 0.00 H new ATOM 0 HG SER A 113 126.851 3.541 4.901 1.00 0.00 H new ATOM 1768 N LEU A 114 130.654 5.462 4.142 1.00 0.00 N ATOM 1769 CA LEU A 114 131.407 6.211 5.027 1.00 0.00 C ATOM 1770 C LEU A 114 130.466 6.841 6.047 1.00 0.00 C ATOM 1771 O LEU A 114 129.456 7.480 5.707 1.00 0.00 O ATOM 1772 CB LEU A 114 132.358 7.207 4.298 1.00 0.00 C ATOM 1773 CG LEU A 114 131.807 8.280 3.297 1.00 0.00 C ATOM 1774 CD1 LEU A 114 131.036 7.728 2.106 1.00 0.00 C ATOM 1775 CD2 LEU A 114 131.059 9.386 3.990 1.00 0.00 C ATOM 0 H LEU A 114 130.331 5.967 3.316 1.00 0.00 H new ATOM 0 HA LEU A 114 132.098 5.571 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 114 132.905 7.746 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 114 133.086 6.608 3.751 1.00 0.00 H new ATOM 0 HG LEU A 114 132.708 8.711 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 114 130.699 8.552 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 114 131.684 7.070 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 114 130.172 7.166 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 114 130.699 10.101 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 114 130.211 8.968 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 114 131.724 9.892 4.690 1.00 0.00 H new ATOM 1787 N VAL A 115 130.725 6.587 7.268 1.00 0.00 N ATOM 1788 CA VAL A 115 129.906 7.089 8.324 1.00 0.00 C ATOM 1789 C VAL A 115 130.492 8.382 8.773 1.00 0.00 C ATOM 1790 O VAL A 115 131.563 8.420 9.395 1.00 0.00 O ATOM 1791 CB VAL A 115 129.811 6.103 9.515 1.00 0.00 C ATOM 1792 CG1 VAL A 115 128.876 6.641 10.592 1.00 0.00 C ATOM 1793 CG2 VAL A 115 129.347 4.735 9.036 1.00 0.00 C ATOM 0 H VAL A 115 131.515 6.021 7.578 1.00 0.00 H new ATOM 0 HA VAL A 115 128.890 7.223 7.953 1.00 0.00 H new ATOM 0 HB VAL A 115 130.804 5.998 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 115 128.826 5.931 11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 115 129.253 7.596 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 115 127.880 6.781 10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 115 129.285 4.054 9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 115 128.365 4.826 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 115 130.058 4.344 8.308 1.00 0.00 H new ATOM 1803 N THR A 116 129.847 9.445 8.405 1.00 0.00 N ATOM 1804 CA THR A 116 130.329 10.724 8.741 1.00 0.00 C ATOM 1805 C THR A 116 130.134 10.937 10.239 1.00 0.00 C ATOM 1806 O THR A 116 129.146 10.465 10.834 1.00 0.00 O ATOM 1807 CB THR A 116 129.655 11.845 7.902 1.00 0.00 C ATOM 1808 OG1 THR A 116 130.368 13.068 8.063 1.00 0.00 O ATOM 1809 CG2 THR A 116 128.213 12.057 8.319 1.00 0.00 C ATOM 0 H THR A 116 128.980 9.439 7.868 1.00 0.00 H new ATOM 0 HA THR A 116 131.391 10.780 8.502 1.00 0.00 H new ATOM 0 HB THR A 116 129.674 11.533 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 116 129.939 13.770 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 116 127.771 12.848 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 116 127.653 11.133 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 116 128.177 12.343 9.370 1.00 0.00 H new ATOM 1817 N SER A 117 131.070 11.564 10.847 1.00 0.00 N ATOM 1818 CA SER A 117 131.002 11.776 12.248 1.00 0.00 C ATOM 1819 C SER A 117 130.745 13.238 12.468 1.00 0.00 C ATOM 1820 O SER A 117 131.663 14.051 12.615 1.00 0.00 O ATOM 1821 CB SER A 117 132.308 11.322 12.866 1.00 0.00 C ATOM 1822 OG SER A 117 132.663 10.045 12.332 1.00 0.00 O ATOM 0 H SER A 117 131.901 11.944 10.394 1.00 0.00 H new ATOM 0 HA SER A 117 130.200 11.206 12.718 1.00 0.00 H new ATOM 0 HB2 SER A 117 133.094 12.048 12.658 1.00 0.00 H new ATOM 0 HB3 SER A 117 132.209 11.261 13.950 1.00 0.00 H new ATOM 0 HG SER A 117 133.509 9.748 12.728 1.00 0.00 H new ATOM 1828 N VAL A 118 129.499 13.559 12.505 1.00 0.00 N ATOM 1829 CA VAL A 118 129.087 14.910 12.566 1.00 0.00 C ATOM 1830 C VAL A 118 128.549 15.253 13.942 1.00 0.00 C ATOM 1831 O VAL A 118 127.421 14.924 14.309 1.00 0.00 O ATOM 1832 CB VAL A 118 128.069 15.223 11.418 1.00 0.00 C ATOM 1833 CG1 VAL A 118 126.926 14.208 11.395 1.00 0.00 C ATOM 1834 CG2 VAL A 118 127.544 16.656 11.506 1.00 0.00 C ATOM 0 H VAL A 118 128.735 12.884 12.494 1.00 0.00 H new ATOM 0 HA VAL A 118 129.953 15.553 12.407 1.00 0.00 H new ATOM 0 HB VAL A 118 128.606 15.133 10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 118 126.237 14.454 10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 118 127.330 13.208 11.236 1.00 0.00 H new ATOM 0 HG13 VAL A 118 126.394 14.237 12.346 1.00 0.00 H new ATOM 0 HG21 VAL A 118 126.840 16.836 10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 118 127.040 16.801 12.461 1.00 0.00 H new ATOM 0 HG23 VAL A 118 128.377 17.354 11.426 1.00 0.00 H new ATOM 1844 N ALA A 119 129.365 15.888 14.709 1.00 0.00 N ATOM 1845 CA ALA A 119 128.975 16.325 16.006 1.00 0.00 C ATOM 1846 C ALA A 119 129.021 17.825 16.016 1.00 0.00 C ATOM 1847 O ALA A 119 129.922 18.445 16.571 1.00 0.00 O ATOM 1848 CB ALA A 119 129.875 15.710 17.070 1.00 0.00 C ATOM 0 H ALA A 119 130.325 16.120 14.455 1.00 0.00 H new ATOM 0 HA ALA A 119 127.962 15.998 16.239 1.00 0.00 H new ATOM 0 HB1 ALA A 119 129.562 16.055 18.055 1.00 0.00 H new ATOM 0 HB2 ALA A 119 129.801 14.623 17.026 1.00 0.00 H new ATOM 0 HB3 ALA A 119 130.907 16.011 16.891 1.00 0.00 H new ATOM 1854 N ILE A 120 128.056 18.392 15.350 1.00 0.00 N ATOM 1855 CA ILE A 120 127.918 19.829 15.214 1.00 0.00 C ATOM 1856 C ILE A 120 126.498 20.188 15.667 1.00 0.00 C ATOM 1857 O ILE A 120 126.122 21.351 15.794 1.00 0.00 O ATOM 1858 CB ILE A 120 128.131 20.244 13.708 1.00 0.00 C ATOM 1859 CG1 ILE A 120 129.495 19.759 13.176 1.00 0.00 C ATOM 1860 CG2 ILE A 120 127.999 21.755 13.491 1.00 0.00 C ATOM 1861 CD1 ILE A 120 130.694 20.349 13.887 1.00 0.00 C ATOM 0 H ILE A 120 127.324 17.865 14.874 1.00 0.00 H new ATOM 0 HA ILE A 120 128.659 20.355 15.817 1.00 0.00 H new ATOM 0 HB ILE A 120 127.336 19.754 13.146 1.00 0.00 H new ATOM 0 HG12 ILE A 120 129.538 18.673 13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 120 129.563 20.000 12.115 1.00 0.00 H new ATOM 0 HG21 ILE A 120 128.155 21.986 12.437 1.00 0.00 H new ATOM 0 HG22 ILE A 120 127.003 22.080 13.790 1.00 0.00 H new ATOM 0 HG23 ILE A 120 128.746 22.275 14.091 1.00 0.00 H new ATOM 0 HD11 ILE A 120 131.609 19.952 13.447 1.00 0.00 H new ATOM 0 HD12 ILE A 120 130.682 21.434 13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 120 130.656 20.086 14.944 1.00 0.00 H new ATOM 1873 N LEU A 121 125.743 19.161 15.976 1.00 0.00 N ATOM 1874 CA LEU A 121 124.375 19.305 16.340 1.00 0.00 C ATOM 1875 C LEU A 121 124.103 18.488 17.582 1.00 0.00 C ATOM 1876 O LEU A 121 124.918 17.618 17.953 1.00 0.00 O ATOM 1877 CB LEU A 121 123.435 18.924 15.144 1.00 0.00 C ATOM 1878 CG LEU A 121 123.366 17.463 14.595 1.00 0.00 C ATOM 1879 CD1 LEU A 121 124.710 16.850 14.236 1.00 0.00 C ATOM 1880 CD2 LEU A 121 122.515 16.535 15.446 1.00 0.00 C ATOM 0 H LEU A 121 126.075 18.197 15.978 1.00 0.00 H new ATOM 0 HA LEU A 121 124.160 20.348 16.572 1.00 0.00 H new ATOM 0 HB2 LEU A 121 122.422 19.201 15.436 1.00 0.00 H new ATOM 0 HB3 LEU A 121 123.712 19.565 14.307 1.00 0.00 H new ATOM 0 HG LEU A 121 122.847 17.574 13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 121 124.560 15.836 13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 121 125.190 17.452 13.464 1.00 0.00 H new ATOM 0 HD13 LEU A 121 125.345 16.822 15.121 1.00 0.00 H new ATOM 0 HD21 LEU A 121 122.512 15.538 15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 121 122.927 16.485 16.454 1.00 0.00 H new ATOM 0 HD23 LEU A 121 121.494 16.915 15.490 1.00 0.00 H new ATOM 1892 N ASP A 122 123.003 18.756 18.216 1.00 0.00 N ATOM 1893 CA ASP A 122 122.627 18.099 19.412 1.00 0.00 C ATOM 1894 C ASP A 122 121.625 17.043 19.059 1.00 0.00 C ATOM 1895 O ASP A 122 120.706 17.270 18.258 1.00 0.00 O ATOM 1896 CB ASP A 122 122.048 19.089 20.442 1.00 0.00 C ATOM 1897 CG ASP A 122 120.709 19.697 20.061 1.00 0.00 C ATOM 1898 OD1 ASP A 122 120.667 20.595 19.188 1.00 0.00 O ATOM 1899 OD2 ASP A 122 119.675 19.284 20.615 1.00 0.00 O ATOM 0 H ASP A 122 122.331 19.456 17.901 1.00 0.00 H new ATOM 0 HA ASP A 122 123.504 17.647 19.876 1.00 0.00 H new ATOM 0 HB2 ASP A 122 121.939 18.575 21.397 1.00 0.00 H new ATOM 0 HB3 ASP A 122 122.766 19.895 20.594 1.00 0.00 H new ATOM 1904 N LYS A 123 121.819 15.903 19.600 1.00 0.00 N ATOM 1905 CA LYS A 123 120.976 14.772 19.314 1.00 0.00 C ATOM 1906 C LYS A 123 119.789 14.733 20.235 1.00 0.00 C ATOM 1907 O LYS A 123 119.903 14.353 21.396 1.00 0.00 O ATOM 1908 CB LYS A 123 121.748 13.429 19.334 1.00 0.00 C ATOM 1909 CG LYS A 123 122.557 13.125 18.057 1.00 0.00 C ATOM 1910 CD LYS A 123 123.732 14.072 17.832 1.00 0.00 C ATOM 1911 CE LYS A 123 124.882 13.829 18.804 1.00 0.00 C ATOM 1912 NZ LYS A 123 125.474 12.472 18.650 1.00 0.00 N ATOM 0 H LYS A 123 122.570 15.710 20.262 1.00 0.00 H new ATOM 0 HA LYS A 123 120.612 14.904 18.295 1.00 0.00 H new ATOM 0 HB2 LYS A 123 122.428 13.431 20.186 1.00 0.00 H new ATOM 0 HB3 LYS A 123 121.036 12.620 19.496 1.00 0.00 H new ATOM 0 HG2 LYS A 123 122.931 12.103 18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 123 121.891 13.176 17.196 1.00 0.00 H new ATOM 0 HD2 LYS A 123 124.095 13.957 16.811 1.00 0.00 H new ATOM 0 HD3 LYS A 123 123.388 15.101 17.934 1.00 0.00 H new ATOM 0 HE2 LYS A 123 125.655 14.581 18.644 1.00 0.00 H new ATOM 0 HE3 LYS A 123 124.524 13.953 19.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 126.401 12.442 19.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 124.843 11.767 19.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 125.592 12.257 17.639 1.00 0.00 H new ATOM 1926 N GLU A 124 118.667 15.154 19.722 1.00 0.00 N ATOM 1927 CA GLU A 124 117.433 15.140 20.456 1.00 0.00 C ATOM 1928 C GLU A 124 116.784 13.775 20.203 1.00 0.00 C ATOM 1929 O GLU A 124 116.409 13.475 19.053 1.00 0.00 O ATOM 1930 CB GLU A 124 116.522 16.269 19.943 1.00 0.00 C ATOM 1931 CG GLU A 124 115.295 16.535 20.807 1.00 0.00 C ATOM 1932 CD GLU A 124 115.665 17.023 22.189 1.00 0.00 C ATOM 1933 OE1 GLU A 124 115.861 18.244 22.373 1.00 0.00 O ATOM 1934 OE2 GLU A 124 115.789 16.203 23.110 1.00 0.00 O ATOM 0 H GLU A 124 118.583 15.520 18.774 1.00 0.00 H new ATOM 0 HA GLU A 124 117.598 15.295 21.522 1.00 0.00 H new ATOM 0 HB2 GLU A 124 117.107 17.186 19.873 1.00 0.00 H new ATOM 0 HB3 GLU A 124 116.193 16.022 18.934 1.00 0.00 H new ATOM 0 HG2 GLU A 124 114.663 17.277 20.319 1.00 0.00 H new ATOM 0 HG3 GLU A 124 114.707 15.621 20.892 1.00 0.00 H new ATOM 1941 N PRO A 125 116.714 12.900 21.220 1.00 0.00 N ATOM 1942 CA PRO A 125 116.145 11.562 21.073 1.00 0.00 C ATOM 1943 C PRO A 125 114.623 11.600 20.883 1.00 0.00 C ATOM 1944 O PRO A 125 114.076 10.691 20.254 1.00 0.00 O ATOM 1945 CB PRO A 125 116.499 10.856 22.397 1.00 0.00 C ATOM 1946 CG PRO A 125 117.486 11.747 23.074 1.00 0.00 C ATOM 1947 CD PRO A 125 117.195 13.130 22.594 1.00 0.00 C ATOM 1948 OXT PRO A 125 113.990 12.538 21.368 1.00 0.00 O ATOM 0 HA PRO A 125 116.538 11.054 20.193 1.00 0.00 H new ATOM 0 HB2 PRO A 125 115.612 10.713 23.014 1.00 0.00 H new ATOM 0 HB3 PRO A 125 116.923 9.869 22.214 1.00 0.00 H new ATOM 0 HG2 PRO A 125 117.389 11.683 24.158 1.00 0.00 H new ATOM 0 HG3 PRO A 125 118.507 11.456 22.827 1.00 0.00 H new ATOM 0 HD2 PRO A 125 116.442 13.623 23.210 1.00 0.00 H new ATOM 0 HD3 PRO A 125 118.084 13.761 22.612 1.00 0.00 H new TER 1956 PRO A 125 ATOM 1957 N ARG B 151 121.931 9.750 -3.427 1.00 0.00 N ATOM 1958 CA ARG B 151 123.290 9.443 -3.875 1.00 0.00 C ATOM 1959 C ARG B 151 124.266 10.540 -3.548 1.00 0.00 C ATOM 1960 O ARG B 151 123.885 11.687 -3.343 1.00 0.00 O ATOM 1961 CB ARG B 151 123.339 9.094 -5.358 1.00 0.00 C ATOM 1962 CG ARG B 151 122.683 10.096 -6.275 1.00 0.00 C ATOM 1963 CD ARG B 151 122.843 9.666 -7.715 1.00 0.00 C ATOM 1964 NE ARG B 151 122.418 8.271 -7.921 1.00 0.00 N ATOM 1965 CZ ARG B 151 122.981 7.429 -8.801 1.00 0.00 C ATOM 1966 NH1 ARG B 151 123.928 7.872 -9.629 1.00 0.00 N ATOM 1967 NH2 ARG B 151 122.588 6.159 -8.862 1.00 0.00 N ATOM 0 HA ARG B 151 123.598 8.560 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG B 151 124.382 8.982 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG B 151 122.861 8.125 -5.503 1.00 0.00 H new ATOM 0 HG2 ARG B 151 121.625 10.186 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG B 151 123.129 11.080 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG B 151 122.257 10.323 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG B 151 123.886 9.776 -8.013 1.00 0.00 H new ATOM 0 HE ARG B 151 121.644 7.921 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG B 151 124.222 8.848 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG B 151 124.358 7.235 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG B 151 121.855 5.821 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG B 151 123.019 5.523 -9.533 1.00 0.00 H new ATOM 1983 N SER B 152 125.538 10.165 -3.496 1.00 0.00 N ATOM 1984 CA SER B 152 126.673 11.040 -3.222 1.00 0.00 C ATOM 1985 C SER B 152 126.642 11.709 -1.836 1.00 0.00 C ATOM 1986 O SER B 152 127.351 12.684 -1.607 1.00 0.00 O ATOM 1987 CB SER B 152 126.956 12.051 -4.382 1.00 0.00 C ATOM 1988 OG SER B 152 125.819 12.851 -4.718 1.00 0.00 O ATOM 0 H SER B 152 125.820 9.197 -3.651 1.00 0.00 H new ATOM 0 HA SER B 152 127.532 10.370 -3.182 1.00 0.00 H new ATOM 0 HB2 SER B 152 127.780 12.704 -4.094 1.00 0.00 H new ATOM 0 HB3 SER B 152 127.279 11.500 -5.265 1.00 0.00 H new ATOM 0 HG SER B 152 125.145 12.775 -4.011 1.00 0.00 H new ATOM 1994 N SER B 153 125.828 11.204 -0.916 1.00 0.00 N ATOM 1995 CA SER B 153 125.855 11.745 0.411 1.00 0.00 C ATOM 1996 C SER B 153 126.880 11.062 1.319 1.00 0.00 C ATOM 1997 O SER B 153 128.075 11.300 1.157 1.00 0.00 O ATOM 1998 CB SER B 153 124.477 11.902 1.050 1.00 0.00 C ATOM 1999 OG SER B 153 123.723 12.934 0.400 1.00 0.00 O ATOM 0 H SER B 153 125.165 10.444 -1.069 1.00 0.00 H new ATOM 0 HA SER B 153 126.212 12.768 0.289 1.00 0.00 H new ATOM 0 HB2 SER B 153 123.935 10.958 0.990 1.00 0.00 H new ATOM 0 HB3 SER B 153 124.588 12.139 2.108 1.00 0.00 H new ATOM 0 HG SER B 153 122.850 13.025 0.836 1.00 0.00 H new ATOM 2005 N ARG B 154 126.473 10.193 2.242 1.00 0.00 N ATOM 2006 CA ARG B 154 127.459 9.659 3.169 1.00 0.00 C ATOM 2007 C ARG B 154 127.359 8.148 3.407 1.00 0.00 C ATOM 2008 O ARG B 154 128.006 7.360 2.729 1.00 0.00 O ATOM 2009 CB ARG B 154 127.502 10.419 4.550 1.00 0.00 C ATOM 2010 CG ARG B 154 127.935 11.906 4.518 1.00 0.00 C ATOM 2011 CD ARG B 154 126.819 12.839 4.057 1.00 0.00 C ATOM 2012 NE ARG B 154 127.284 14.223 3.869 1.00 0.00 N ATOM 2013 CZ ARG B 154 126.496 15.267 3.562 1.00 0.00 C ATOM 2014 NH1 ARG B 154 125.180 15.118 3.503 1.00 0.00 N ATOM 2015 NH2 ARG B 154 127.032 16.460 3.341 1.00 0.00 N ATOM 0 H ARG B 154 125.517 9.859 2.364 1.00 0.00 H new ATOM 0 HA ARG B 154 128.401 9.839 2.651 1.00 0.00 H new ATOM 0 HB2 ARG B 154 126.510 10.364 4.999 1.00 0.00 H new ATOM 0 HB3 ARG B 154 128.181 9.882 5.212 1.00 0.00 H new ATOM 0 HG2 ARG B 154 128.264 12.205 5.513 1.00 0.00 H new ATOM 0 HG3 ARG B 154 128.792 12.016 3.853 1.00 0.00 H new ATOM 0 HD2 ARG B 154 126.403 12.468 3.120 1.00 0.00 H new ATOM 0 HD3 ARG B 154 126.013 12.826 4.790 1.00 0.00 H new ATOM 0 HE ARG B 154 128.282 14.403 3.980 1.00 0.00 H new ATOM 0 HH11 ARG B 154 124.761 14.207 3.691 1.00 0.00 H new ATOM 0 HH12 ARG B 154 124.587 15.914 3.269 1.00 0.00 H new ATOM 0 HH21 ARG B 154 128.042 16.585 3.404 1.00 0.00 H new ATOM 0 HH22 ARG B 154 126.434 17.253 3.108 1.00 0.00 H new ATOM 2029 N THR B 155 126.488 7.764 4.295 1.00 0.00 N ATOM 2030 CA THR B 155 126.466 6.432 4.867 1.00 0.00 C ATOM 2031 C THR B 155 125.601 5.431 4.031 1.00 0.00 C ATOM 2032 O THR B 155 125.319 4.304 4.459 1.00 0.00 O ATOM 2033 CB THR B 155 125.955 6.599 6.316 1.00 0.00 C ATOM 2034 OG1 THR B 155 126.713 7.684 6.901 1.00 0.00 O ATOM 2035 CG2 THR B 155 126.212 5.368 7.145 1.00 0.00 C ATOM 0 H THR B 155 125.754 8.375 4.655 1.00 0.00 H new ATOM 0 HA THR B 155 127.461 5.988 4.857 1.00 0.00 H new ATOM 0 HB THR B 155 124.881 6.783 6.298 1.00 0.00 H new ATOM 0 HG1 THR B 155 127.584 7.751 6.457 1.00 0.00 H new ATOM 0 HG21 THR B 155 125.838 5.526 8.157 1.00 0.00 H new ATOM 0 HG22 THR B 155 125.701 4.515 6.698 1.00 0.00 H new ATOM 0 HG23 THR B 155 127.283 5.171 7.181 1.00 0.00 H new ATOM 2043 N ARG B 156 125.258 5.851 2.834 1.00 0.00 N ATOM 2044 CA ARG B 156 124.488 5.062 1.864 1.00 0.00 C ATOM 2045 C ARG B 156 125.071 3.655 1.601 1.00 0.00 C ATOM 2046 O ARG B 156 126.133 3.516 0.998 1.00 0.00 O ATOM 2047 CB ARG B 156 124.283 5.880 0.547 1.00 0.00 C ATOM 2048 CG ARG B 156 125.460 6.804 0.125 1.00 0.00 C ATOM 2049 CD ARG B 156 126.708 6.045 -0.294 1.00 0.00 C ATOM 2050 NE ARG B 156 127.839 6.937 -0.577 1.00 0.00 N ATOM 2051 CZ ARG B 156 128.523 6.955 -1.734 1.00 0.00 C ATOM 2052 NH1 ARG B 156 128.210 6.108 -2.712 1.00 0.00 N ATOM 2053 NH2 ARG B 156 129.536 7.805 -1.899 1.00 0.00 N ATOM 0 H ARG B 156 125.508 6.777 2.486 1.00 0.00 H new ATOM 0 HA ARG B 156 123.512 4.872 2.310 1.00 0.00 H new ATOM 0 HB2 ARG B 156 124.089 5.179 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG B 156 123.389 6.493 0.660 1.00 0.00 H new ATOM 0 HG2 ARG B 156 125.136 7.438 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG B 156 125.708 7.465 0.956 1.00 0.00 H new ATOM 0 HD2 ARG B 156 126.988 5.348 0.496 1.00 0.00 H new ATOM 0 HD3 ARG B 156 126.487 5.450 -1.181 1.00 0.00 H new ATOM 0 HE ARG B 156 128.125 7.588 0.154 1.00 0.00 H new ATOM 0 HH11 ARG B 156 127.448 5.442 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG B 156 128.732 6.125 -3.588 1.00 0.00 H new ATOM 0 HH21 ARG B 156 129.794 8.444 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG B 156 130.054 7.817 -2.778 1.00 0.00 H new ATOM 2067 N ARG B 157 124.365 2.621 2.076 1.00 0.00 N ATOM 2068 CA ARG B 157 124.793 1.210 1.893 1.00 0.00 C ATOM 2069 C ARG B 157 123.814 0.326 2.655 1.00 0.00 C ATOM 2070 O ARG B 157 122.674 0.743 2.839 1.00 0.00 O ATOM 2071 CB ARG B 157 126.253 0.966 2.369 1.00 0.00 C ATOM 2072 CG ARG B 157 127.044 -0.062 1.529 1.00 0.00 C ATOM 2073 CD ARG B 157 128.458 -0.309 2.089 1.00 0.00 C ATOM 2074 NE ARG B 157 128.405 -1.025 3.370 1.00 0.00 N ATOM 2075 CZ ARG B 157 129.312 -1.038 4.359 1.00 0.00 C ATOM 2076 NH1 ARG B 157 130.494 -0.454 4.222 1.00 0.00 N ATOM 2077 NH2 ARG B 157 129.042 -1.714 5.469 1.00 0.00 N ATOM 0 H ARG B 157 123.492 2.726 2.592 1.00 0.00 H new ATOM 0 HA ARG B 157 124.784 0.967 0.830 1.00 0.00 H new ATOM 0 HB2 ARG B 157 126.789 1.915 2.355 1.00 0.00 H new ATOM 0 HB3 ARG B 157 126.231 0.628 3.405 1.00 0.00 H new ATOM 0 HG2 ARG B 157 126.497 -1.004 1.502 1.00 0.00 H new ATOM 0 HG3 ARG B 157 127.119 0.293 0.501 1.00 0.00 H new ATOM 0 HD2 ARG B 157 129.041 -0.886 1.371 1.00 0.00 H new ATOM 0 HD3 ARG B 157 128.970 0.644 2.223 1.00 0.00 H new ATOM 0 HE ARG B 157 127.568 -1.587 3.529 1.00 0.00 H new ATOM 0 HH11 ARG B 157 130.731 0.019 3.350 1.00 0.00 H new ATOM 0 HH12 ARG B 157 131.166 -0.478 4.989 1.00 0.00 H new ATOM 0 HH21 ARG B 157 128.157 -2.213 5.560 1.00 0.00 H new ATOM 0 HH22 ARG B 157 129.720 -1.735 6.231 1.00 0.00 H new ATOM 2091 N GLU B 158 124.217 -0.855 3.101 1.00 0.00 N ATOM 2092 CA GLU B 158 123.266 -1.756 3.712 1.00 0.00 C ATOM 2093 C GLU B 158 122.984 -1.480 5.191 1.00 0.00 C ATOM 2094 O GLU B 158 123.854 -1.080 5.971 1.00 0.00 O ATOM 2095 CB GLU B 158 123.621 -3.257 3.493 1.00 0.00 C ATOM 2096 CG GLU B 158 124.713 -3.842 4.400 1.00 0.00 C ATOM 2097 CD GLU B 158 125.984 -3.053 4.382 1.00 0.00 C ATOM 2098 OE1 GLU B 158 126.404 -2.645 3.302 1.00 0.00 O ATOM 2099 OE2 GLU B 158 126.557 -2.779 5.466 1.00 0.00 O ATOM 0 H GLU B 158 125.175 -1.201 3.051 1.00 0.00 H new ATOM 0 HA GLU B 158 122.339 -1.545 3.179 1.00 0.00 H new ATOM 0 HB2 GLU B 158 122.714 -3.845 3.628 1.00 0.00 H new ATOM 0 HB3 GLU B 158 123.933 -3.386 2.457 1.00 0.00 H new ATOM 0 HG2 GLU B 158 124.338 -3.891 5.422 1.00 0.00 H new ATOM 0 HG3 GLU B 158 124.924 -4.865 4.089 1.00 0.00 H new ATOM 2106 N THR B 159 121.759 -1.664 5.518 1.00 0.00 N ATOM 2107 CA THR B 159 121.260 -1.697 6.842 1.00 0.00 C ATOM 2108 C THR B 159 120.793 -3.154 6.986 1.00 0.00 C ATOM 2109 O THR B 159 119.886 -3.589 6.264 1.00 0.00 O ATOM 2110 CB THR B 159 120.064 -0.703 6.969 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.460 0.571 6.403 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.646 -0.485 8.437 1.00 0.00 C ATOM 0 H THR B 159 121.029 -1.805 4.820 1.00 0.00 H new ATOM 0 HA THR B 159 121.981 -1.408 7.606 1.00 0.00 H new ATOM 0 HB THR B 159 119.213 -1.128 6.437 1.00 0.00 H new ATOM 0 HG1 THR B 159 121.118 0.999 6.990 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.810 0.214 8.477 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.345 -1.437 8.875 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.487 -0.078 8.998 1.00 0.00 H new ATOM 2120 N GLN B 160 121.489 -3.928 7.778 1.00 0.00 N ATOM 2121 CA GLN B 160 121.195 -5.349 7.888 1.00 0.00 C ATOM 2122 C GLN B 160 120.134 -5.604 8.927 1.00 0.00 C ATOM 2123 O GLN B 160 120.416 -5.721 10.124 1.00 0.00 O ATOM 2124 CB GLN B 160 122.469 -6.157 8.140 1.00 0.00 C ATOM 2125 CG GLN B 160 122.248 -7.632 8.417 1.00 0.00 C ATOM 2126 CD GLN B 160 123.535 -8.362 8.702 1.00 0.00 C ATOM 2127 OE1 GLN B 160 124.603 -8.013 8.181 1.00 0.00 O ATOM 2128 NE2 GLN B 160 123.454 -9.353 9.540 1.00 0.00 N ATOM 0 H GLN B 160 122.264 -3.607 8.359 1.00 0.00 H new ATOM 0 HA GLN B 160 120.790 -5.690 6.935 1.00 0.00 H new ATOM 0 HB2 GLN B 160 123.121 -6.059 7.272 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.998 -5.719 8.987 1.00 0.00 H new ATOM 0 HG2 GLN B 160 121.575 -7.742 9.267 1.00 0.00 H new ATOM 0 HG3 GLN B 160 121.756 -8.090 7.559 1.00 0.00 H new ATOM 0 HE21 GLN B 160 122.553 -9.606 9.945 1.00 0.00 H new ATOM 0 HE22 GLN B 160 124.292 -9.877 9.792 1.00 0.00 H new ATOM 2137 N VAL B 161 118.928 -5.712 8.474 1.00 0.00 N ATOM 2138 CA VAL B 161 117.824 -5.818 9.358 1.00 0.00 C ATOM 2139 C VAL B 161 117.268 -7.219 9.331 1.00 0.00 C ATOM 2140 O VAL B 161 116.843 -7.750 10.379 1.00 0.00 O ATOM 2141 CB VAL B 161 116.722 -4.771 9.058 1.00 0.00 C ATOM 2142 CG1 VAL B 161 117.292 -3.384 9.102 1.00 0.00 C ATOM 2143 CG2 VAL B 161 116.081 -4.997 7.714 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.313 -7.833 8.280 1.00 0.00 O ATOM 0 H VAL B 161 118.685 -5.729 7.483 1.00 0.00 H new ATOM 0 HA VAL B 161 118.187 -5.603 10.363 1.00 0.00 H new ATOM 0 HB VAL B 161 115.958 -4.884 9.827 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.505 -2.660 8.889 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.704 -3.191 10.093 1.00 0.00 H new ATOM 0 HG13 VAL B 161 118.082 -3.291 8.356 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.315 -4.241 7.545 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.838 -4.927 6.933 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.625 -5.987 7.690 1.00 0.00 H new TER 2154 VAL B 161