USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -156:sc=-0.00132 (180deg=-0.328) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -1.27 (180deg=-3.39!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= -0.163 (180deg=-0.386) USER MOD Single : A 49 TYR OH : rot 30:sc= -1.64 USER MOD Single : A 53 SER OG : rot 180:sc= -1.92! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 59 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.66) USER MOD Single : A 81 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.1!) USER MOD Single : A 82 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.087) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 114:sc= -2.45! USER MOD Single : A 91 MET CE :methyl -178:sc= -6.01! (180deg=-6.29!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.98! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -5.85! K(o=-5.9!,f=-4.5) USER MOD Single : A 99 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-7.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 51:sc= -3.51! USER MOD Single : A 110 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -7.163 15.143 10.906 1.00 0.00 N ATOM 2 CA GLY A 18 -6.432 14.609 9.721 1.00 0.00 C ATOM 3 C GLY A 18 -6.086 15.760 8.776 1.00 0.00 C ATOM 4 O GLY A 18 -5.047 15.769 8.149 1.00 0.00 O ATOM 0 HA2 GLY A 18 -5.522 14.100 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.045 13.871 9.204 1.00 0.00 H new ATOM 8 N GLU A 19 -6.949 16.733 8.670 1.00 0.00 N ATOM 9 CA GLU A 19 -6.664 17.884 7.767 1.00 0.00 C ATOM 10 C GLU A 19 -5.303 18.491 8.114 1.00 0.00 C ATOM 11 O GLU A 19 -4.696 19.179 7.317 1.00 0.00 O ATOM 12 CB GLU A 19 -7.784 18.887 8.042 1.00 0.00 C ATOM 13 CG GLU A 19 -8.129 19.634 6.752 1.00 0.00 C ATOM 14 CD GLU A 19 -8.040 21.141 6.994 1.00 0.00 C ATOM 15 OE1 GLU A 19 -6.935 21.628 7.173 1.00 0.00 O ATOM 16 OE2 GLU A 19 -9.076 21.784 6.995 1.00 0.00 O ATOM 0 H GLU A 19 -7.838 16.781 9.169 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.628 17.593 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.665 18.369 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.473 19.593 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.444 19.342 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.133 19.367 6.422 1.00 0.00 H new ATOM 23 N LYS A 20 -4.820 18.239 9.300 1.00 0.00 N ATOM 24 CA LYS A 20 -3.498 18.799 9.703 1.00 0.00 C ATOM 25 C LYS A 20 -2.363 18.008 9.049 1.00 0.00 C ATOM 26 O LYS A 20 -1.355 18.561 8.660 1.00 0.00 O ATOM 27 CB LYS A 20 -3.451 18.647 11.224 1.00 0.00 C ATOM 28 CG LYS A 20 -4.229 19.790 11.877 1.00 0.00 C ATOM 29 CD LYS A 20 -5.241 19.217 12.870 1.00 0.00 C ATOM 30 CE LYS A 20 -5.041 19.870 14.239 1.00 0.00 C ATOM 31 NZ LYS A 20 -6.245 19.485 15.027 1.00 0.00 N ATOM 0 H LYS A 20 -5.284 17.669 10.008 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.379 19.837 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.879 17.688 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.417 18.654 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.543 20.465 12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.743 20.376 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.256 19.396 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.117 18.137 12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.127 19.516 14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.956 20.953 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.182 19.896 15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.099 19.841 14.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.296 18.449 15.099 1.00 0.00 H new ATOM 45 N ILE A 21 -2.517 16.718 8.924 1.00 0.00 N ATOM 46 CA ILE A 21 -1.441 15.901 8.292 1.00 0.00 C ATOM 47 C ILE A 21 -1.197 16.388 6.863 1.00 0.00 C ATOM 48 O ILE A 21 -0.160 16.138 6.281 1.00 0.00 O ATOM 49 CB ILE A 21 -1.973 14.461 8.315 1.00 0.00 C ATOM 50 CG1 ILE A 21 -1.598 13.801 9.647 1.00 0.00 C ATOM 51 CG2 ILE A 21 -1.362 13.650 7.168 1.00 0.00 C ATOM 52 CD1 ILE A 21 -1.945 14.737 10.808 1.00 0.00 C ATOM 0 H ILE A 21 -3.338 16.196 9.231 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.486 15.976 8.813 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.057 14.485 8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.131 12.857 9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.533 13.569 9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.748 12.631 7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.625 14.111 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.277 13.630 7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.676 14.262 11.751 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.392 15.670 10.701 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.015 14.946 10.799 1.00 0.00 H new ATOM 64 N ARG A 22 -2.136 17.090 6.296 1.00 0.00 N ATOM 65 CA ARG A 22 -1.939 17.597 4.912 1.00 0.00 C ATOM 66 C ARG A 22 -1.245 18.960 4.953 1.00 0.00 C ATOM 67 O ARG A 22 -0.419 19.272 4.119 1.00 0.00 O ATOM 68 CB ARG A 22 -3.340 17.725 4.316 1.00 0.00 C ATOM 69 CG ARG A 22 -3.388 17.002 2.967 1.00 0.00 C ATOM 70 CD ARG A 22 -2.145 17.359 2.142 1.00 0.00 C ATOM 71 NE ARG A 22 -2.674 17.999 0.905 1.00 0.00 N ATOM 72 CZ ARG A 22 -3.166 17.262 -0.053 1.00 0.00 C ATOM 73 NH1 ARG A 22 -2.368 16.700 -0.919 1.00 0.00 N ATOM 74 NH2 ARG A 22 -4.457 17.087 -0.145 1.00 0.00 N ATOM 0 H ARG A 22 -3.027 17.334 6.729 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.314 16.932 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.077 17.298 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.597 18.776 4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.435 15.924 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.290 17.285 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.490 18.038 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.559 16.471 1.907 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.652 19.014 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.360 16.837 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.752 16.124 -1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.081 17.526 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.841 16.511 -0.894 1.00 0.00 H new ATOM 86 N LYS A 23 -1.566 19.769 5.925 1.00 0.00 N ATOM 87 CA LYS A 23 -0.914 21.102 6.027 1.00 0.00 C ATOM 88 C LYS A 23 0.577 20.905 6.324 1.00 0.00 C ATOM 89 O LYS A 23 1.422 21.628 5.836 1.00 0.00 O ATOM 90 CB LYS A 23 -1.651 21.801 7.183 1.00 0.00 C ATOM 91 CG LYS A 23 -0.671 22.586 8.060 1.00 0.00 C ATOM 92 CD LYS A 23 -1.446 23.542 8.967 1.00 0.00 C ATOM 93 CE LYS A 23 -0.929 24.968 8.766 1.00 0.00 C ATOM 94 NZ LYS A 23 0.452 24.956 9.323 1.00 0.00 N ATOM 0 H LYS A 23 -2.251 19.563 6.652 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.972 21.696 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.408 22.476 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.173 21.060 7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.076 21.899 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.024 23.146 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.511 23.494 8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.330 23.245 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.927 25.243 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.558 25.693 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.723 25.921 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.485 24.335 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.114 24.604 8.602 1.00 0.00 H new ATOM 108 N LYS A 24 0.899 19.920 7.118 1.00 0.00 N ATOM 109 CA LYS A 24 2.328 19.660 7.444 1.00 0.00 C ATOM 110 C LYS A 24 2.952 18.781 6.359 1.00 0.00 C ATOM 111 O LYS A 24 4.054 19.022 5.910 1.00 0.00 O ATOM 112 CB LYS A 24 2.320 18.918 8.786 1.00 0.00 C ATOM 113 CG LYS A 24 1.217 19.476 9.687 1.00 0.00 C ATOM 114 CD LYS A 24 1.784 19.754 11.080 1.00 0.00 C ATOM 115 CE LYS A 24 1.005 20.899 11.731 1.00 0.00 C ATOM 116 NZ LYS A 24 1.745 21.200 12.988 1.00 0.00 N ATOM 0 H LYS A 24 0.232 19.284 7.555 1.00 0.00 H new ATOM 0 HA LYS A 24 2.909 20.581 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.161 17.852 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.288 19.024 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.812 20.393 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.394 18.765 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.717 18.858 11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.840 20.013 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.965 21.771 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.025 20.608 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.271 21.977 13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.761 20.354 13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.720 21.480 12.758 1.00 0.00 H new ATOM 130 N TYR A 25 2.254 17.759 5.939 1.00 0.00 N ATOM 131 CA TYR A 25 2.812 16.864 4.887 1.00 0.00 C ATOM 132 C TYR A 25 1.980 16.952 3.600 1.00 0.00 C ATOM 133 O TYR A 25 1.417 15.967 3.162 1.00 0.00 O ATOM 134 CB TYR A 25 2.716 15.462 5.486 1.00 0.00 C ATOM 135 CG TYR A 25 3.235 15.482 6.905 1.00 0.00 C ATOM 136 CD1 TYR A 25 4.576 15.795 7.157 1.00 0.00 C ATOM 137 CD2 TYR A 25 2.374 15.185 7.969 1.00 0.00 C ATOM 138 CE1 TYR A 25 5.056 15.812 8.472 1.00 0.00 C ATOM 139 CE2 TYR A 25 2.854 15.203 9.284 1.00 0.00 C ATOM 140 CZ TYR A 25 4.195 15.516 9.535 1.00 0.00 C ATOM 141 OH TYR A 25 4.668 15.533 10.831 1.00 0.00 O ATOM 0 H TYR A 25 1.326 17.507 6.278 1.00 0.00 H new ATOM 0 HA TYR A 25 3.833 17.135 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.682 15.119 5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.294 14.759 4.886 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.240 16.023 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.340 14.942 7.775 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.091 16.053 8.666 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.190 14.975 10.105 1.00 0.00 H new ATOM 0 HH TYR A 25 3.941 15.306 11.448 1.00 0.00 H new ATOM 151 N PRO A 26 1.934 18.128 3.033 1.00 0.00 N ATOM 152 CA PRO A 26 1.163 18.336 1.781 1.00 0.00 C ATOM 153 C PRO A 26 1.886 17.690 0.596 1.00 0.00 C ATOM 154 O PRO A 26 1.389 17.673 -0.512 1.00 0.00 O ATOM 155 CB PRO A 26 1.129 19.854 1.628 1.00 0.00 C ATOM 156 CG PRO A 26 2.328 20.343 2.374 1.00 0.00 C ATOM 157 CD PRO A 26 2.581 19.364 3.491 1.00 0.00 C ATOM 0 HA PRO A 26 0.168 17.892 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.170 20.146 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.210 20.272 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.193 20.407 1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.154 21.344 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.648 19.217 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.155 19.713 4.432 1.00 0.00 H new ATOM 165 N ASP A 27 3.055 17.158 0.820 1.00 0.00 N ATOM 166 CA ASP A 27 3.807 16.519 -0.297 1.00 0.00 C ATOM 167 C ASP A 27 3.989 15.022 -0.032 1.00 0.00 C ATOM 168 O ASP A 27 4.772 14.359 -0.683 1.00 0.00 O ATOM 169 CB ASP A 27 5.162 17.227 -0.321 1.00 0.00 C ATOM 170 CG ASP A 27 6.038 16.612 -1.414 1.00 0.00 C ATOM 171 OD1 ASP A 27 5.750 16.845 -2.577 1.00 0.00 O ATOM 172 OD2 ASP A 27 6.982 15.920 -1.070 1.00 0.00 O ATOM 0 H ASP A 27 3.522 17.138 1.727 1.00 0.00 H new ATOM 0 HA ASP A 27 3.282 16.609 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.025 18.292 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.651 17.133 0.648 1.00 0.00 H new ATOM 177 N ARG A 28 3.273 14.480 0.916 1.00 0.00 N ATOM 178 CA ARG A 28 3.413 13.024 1.208 1.00 0.00 C ATOM 179 C ARG A 28 2.089 12.302 0.953 1.00 0.00 C ATOM 180 O ARG A 28 1.132 12.886 0.482 1.00 0.00 O ATOM 181 CB ARG A 28 3.788 12.944 2.689 1.00 0.00 C ATOM 182 CG ARG A 28 5.300 13.121 2.843 1.00 0.00 C ATOM 183 CD ARG A 28 5.638 14.611 2.891 1.00 0.00 C ATOM 184 NE ARG A 28 6.783 14.715 3.837 1.00 0.00 N ATOM 185 CZ ARG A 28 7.857 13.999 3.641 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.104 13.502 2.460 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.684 13.780 4.627 1.00 0.00 N ATOM 0 H ARG A 28 2.601 14.979 1.498 1.00 0.00 H new ATOM 0 HA ARG A 28 4.162 12.550 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.262 13.716 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.480 11.983 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.643 12.630 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.819 12.646 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.906 14.987 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.787 15.198 3.235 1.00 0.00 H new ATOM 0 HE ARG A 28 6.728 15.345 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.458 13.673 1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.943 12.943 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.491 14.168 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.523 13.221 4.474 1.00 0.00 H new ATOM 199 N VAL A 29 2.026 11.036 1.258 1.00 0.00 N ATOM 200 CA VAL A 29 0.765 10.278 1.031 1.00 0.00 C ATOM 201 C VAL A 29 0.597 9.192 2.100 1.00 0.00 C ATOM 202 O VAL A 29 1.286 8.188 2.081 1.00 0.00 O ATOM 203 CB VAL A 29 0.925 9.650 -0.356 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.076 8.503 -0.525 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.663 10.709 -1.431 1.00 0.00 C ATOM 0 H VAL A 29 2.793 10.494 1.655 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.117 10.916 1.090 1.00 0.00 H new ATOM 0 HB VAL A 29 1.939 9.265 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.042 8.060 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.107 7.745 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.091 8.887 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.777 10.261 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.351 11.095 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.376 11.526 -1.318 1.00 0.00 H new ATOM 215 N PRO A 30 -0.324 9.433 2.994 1.00 0.00 N ATOM 216 CA PRO A 30 -0.607 8.466 4.078 1.00 0.00 C ATOM 217 C PRO A 30 -1.397 7.278 3.522 1.00 0.00 C ATOM 218 O PRO A 30 -2.616 7.255 3.540 1.00 0.00 O ATOM 219 CB PRO A 30 -1.448 9.267 5.067 1.00 0.00 C ATOM 220 CG PRO A 30 -2.084 10.350 4.253 1.00 0.00 C ATOM 221 CD PRO A 30 -1.177 10.623 3.079 1.00 0.00 C ATOM 0 HA PRO A 30 0.291 8.053 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.201 8.639 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.830 9.683 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.072 10.043 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.219 11.251 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.747 10.770 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.586 11.526 3.235 1.00 0.00 H new ATOM 229 N VAL A 31 -0.709 6.298 3.010 1.00 0.00 N ATOM 230 CA VAL A 31 -1.403 5.116 2.438 1.00 0.00 C ATOM 231 C VAL A 31 -1.843 4.160 3.551 1.00 0.00 C ATOM 232 O VAL A 31 -1.099 3.872 4.468 1.00 0.00 O ATOM 233 CB VAL A 31 -0.372 4.445 1.513 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.508 5.502 0.835 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.516 3.480 2.306 1.00 0.00 C ATOM 0 H VAL A 31 0.309 6.266 2.964 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.306 5.397 1.895 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.916 3.887 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.231 5.010 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.117 6.170 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.036 6.078 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.238 3.015 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.045 4.029 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.103 2.708 2.763 1.00 0.00 H new ATOM 245 N ILE A 32 -3.039 3.651 3.464 1.00 0.00 N ATOM 246 CA ILE A 32 -3.521 2.695 4.500 1.00 0.00 C ATOM 247 C ILE A 32 -3.194 1.276 4.043 1.00 0.00 C ATOM 248 O ILE A 32 -3.002 1.028 2.869 1.00 0.00 O ATOM 249 CB ILE A 32 -5.033 2.910 4.579 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.319 4.261 5.240 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.665 1.793 5.412 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.563 4.350 6.566 1.00 0.00 C ATOM 0 H ILE A 32 -3.705 3.856 2.719 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.055 2.847 5.474 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.456 2.897 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.014 5.073 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.389 4.375 5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.743 1.946 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.459 0.830 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.244 1.806 6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.766 5.312 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.890 3.546 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.493 4.255 6.382 1.00 0.00 H new ATOM 264 N VAL A 33 -3.107 0.343 4.946 1.00 0.00 N ATOM 265 CA VAL A 33 -2.764 -1.039 4.522 1.00 0.00 C ATOM 266 C VAL A 33 -3.682 -2.069 5.185 1.00 0.00 C ATOM 267 O VAL A 33 -4.022 -1.975 6.348 1.00 0.00 O ATOM 268 CB VAL A 33 -1.304 -1.213 4.956 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.985 -2.688 5.220 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.397 -0.691 3.841 1.00 0.00 C ATOM 0 H VAL A 33 -3.256 0.474 5.946 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.894 -1.193 3.451 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.138 -0.656 5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.056 -2.786 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.633 -3.064 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.151 -3.265 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.646 -0.808 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.582 -1.256 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.608 0.364 3.664 1.00 0.00 H new ATOM 280 N GLU A 34 -4.066 -3.060 4.432 1.00 0.00 N ATOM 281 CA GLU A 34 -4.949 -4.134 4.962 1.00 0.00 C ATOM 282 C GLU A 34 -4.756 -5.400 4.121 1.00 0.00 C ATOM 283 O GLU A 34 -4.121 -5.373 3.084 1.00 0.00 O ATOM 284 CB GLU A 34 -6.372 -3.594 4.813 1.00 0.00 C ATOM 285 CG GLU A 34 -6.953 -3.299 6.197 1.00 0.00 C ATOM 286 CD GLU A 34 -7.552 -4.578 6.784 1.00 0.00 C ATOM 287 OE1 GLU A 34 -6.787 -5.410 7.244 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.766 -4.704 6.762 1.00 0.00 O ATOM 0 H GLU A 34 -3.800 -3.173 3.454 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.731 -4.391 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.367 -2.687 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.996 -4.321 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.174 -2.915 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.719 -2.527 6.124 1.00 0.00 H new ATOM 295 N LYS A 35 -5.288 -6.509 4.550 1.00 0.00 N ATOM 296 CA LYS A 35 -5.113 -7.758 3.756 1.00 0.00 C ATOM 297 C LYS A 35 -6.436 -8.172 3.109 1.00 0.00 C ATOM 298 O LYS A 35 -7.499 -7.736 3.503 1.00 0.00 O ATOM 299 CB LYS A 35 -4.661 -8.813 4.763 1.00 0.00 C ATOM 300 CG LYS A 35 -3.453 -9.567 4.204 1.00 0.00 C ATOM 301 CD LYS A 35 -2.266 -8.609 4.073 1.00 0.00 C ATOM 302 CE LYS A 35 -1.965 -7.972 5.433 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.053 -9.090 6.414 1.00 0.00 N ATOM 0 H LYS A 35 -5.832 -6.606 5.408 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.393 -7.628 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.401 -8.340 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.475 -9.509 4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.193 -10.397 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.697 -9.995 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.390 -9.147 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.490 -7.835 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.975 -7.515 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.682 -7.185 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.410 -8.905 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.028 -9.166 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.783 -9.981 5.950 1.00 0.00 H new ATOM 317 N ALA A 36 -6.372 -9.023 2.123 1.00 0.00 N ATOM 318 CA ALA A 36 -7.622 -9.482 1.449 1.00 0.00 C ATOM 319 C ALA A 36 -8.501 -10.223 2.462 1.00 0.00 C ATOM 320 O ALA A 36 -8.199 -10.234 3.638 1.00 0.00 O ATOM 321 CB ALA A 36 -7.145 -10.425 0.341 1.00 0.00 C ATOM 0 H ALA A 36 -5.509 -9.421 1.754 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.217 -8.663 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.006 -10.809 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.493 -9.882 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.596 -11.256 0.782 1.00 0.00 H new ATOM 327 N PRO A 37 -9.561 -10.824 1.984 1.00 0.00 N ATOM 328 CA PRO A 37 -10.467 -11.566 2.891 1.00 0.00 C ATOM 329 C PRO A 37 -9.787 -12.852 3.366 1.00 0.00 C ATOM 330 O PRO A 37 -9.576 -13.775 2.603 1.00 0.00 O ATOM 331 CB PRO A 37 -11.685 -11.866 2.023 1.00 0.00 C ATOM 332 CG PRO A 37 -11.176 -11.838 0.618 1.00 0.00 C ATOM 333 CD PRO A 37 -10.015 -10.876 0.586 1.00 0.00 C ATOM 0 HA PRO A 37 -10.733 -11.012 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.114 -12.838 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.469 -11.124 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.861 -12.833 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.960 -11.519 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.225 -11.226 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.320 -9.893 0.228 1.00 0.00 H new ATOM 341 N LYS A 38 -9.433 -12.916 4.621 1.00 0.00 N ATOM 342 CA LYS A 38 -8.758 -14.134 5.144 1.00 0.00 C ATOM 343 C LYS A 38 -7.428 -14.350 4.416 1.00 0.00 C ATOM 344 O LYS A 38 -7.081 -15.456 4.050 1.00 0.00 O ATOM 345 CB LYS A 38 -9.731 -15.272 4.851 1.00 0.00 C ATOM 346 CG LYS A 38 -10.337 -15.775 6.162 1.00 0.00 C ATOM 347 CD LYS A 38 -11.863 -15.712 6.080 1.00 0.00 C ATOM 348 CE LYS A 38 -12.410 -14.966 7.298 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.704 -15.635 7.609 1.00 0.00 N ATOM 0 H LYS A 38 -9.583 -12.175 5.306 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.525 -14.063 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.520 -14.927 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.214 -16.085 4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.015 -16.799 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.982 -15.168 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.168 -15.206 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.277 -16.719 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.721 -15.027 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.555 -13.908 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.141 -15.178 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.342 -15.555 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.534 -16.639 7.818 1.00 0.00 H new ATOM 363 N ALA A 39 -6.681 -13.299 4.203 1.00 0.00 N ATOM 364 CA ALA A 39 -5.374 -13.439 3.498 1.00 0.00 C ATOM 365 C ALA A 39 -4.456 -14.390 4.267 1.00 0.00 C ATOM 366 O ALA A 39 -4.813 -14.908 5.306 1.00 0.00 O ATOM 367 CB ALA A 39 -4.783 -12.029 3.473 1.00 0.00 C ATOM 0 H ALA A 39 -6.920 -12.349 4.487 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.490 -13.851 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.817 -12.048 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.458 -11.361 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.652 -11.671 4.494 1.00 0.00 H new ATOM 373 N ARG A 40 -3.275 -14.629 3.763 1.00 0.00 N ATOM 374 CA ARG A 40 -2.340 -15.553 4.468 1.00 0.00 C ATOM 375 C ARG A 40 -0.882 -15.159 4.204 1.00 0.00 C ATOM 376 O ARG A 40 0.001 -15.994 4.200 1.00 0.00 O ATOM 377 CB ARG A 40 -2.630 -16.929 3.872 1.00 0.00 C ATOM 378 CG ARG A 40 -2.309 -16.906 2.378 1.00 0.00 C ATOM 379 CD ARG A 40 -2.400 -18.325 1.812 1.00 0.00 C ATOM 380 NE ARG A 40 -0.987 -18.767 1.652 1.00 0.00 N ATOM 381 CZ ARG A 40 -0.724 -19.930 1.120 1.00 0.00 C ATOM 382 NH1 ARG A 40 -1.656 -20.583 0.484 1.00 0.00 N ATOM 383 NH2 ARG A 40 0.474 -20.439 1.225 1.00 0.00 N ATOM 0 H ARG A 40 -2.918 -14.226 2.897 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.480 -15.527 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.031 -17.689 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.676 -17.193 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.006 -16.250 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.309 -16.503 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.946 -18.985 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.928 -18.337 0.858 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.225 -18.162 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.592 -20.185 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.449 -21.491 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.203 -19.928 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.680 -21.348 0.810 1.00 0.00 H new ATOM 395 N ILE A 41 -0.617 -13.899 3.987 1.00 0.00 N ATOM 396 CA ILE A 41 0.791 -13.481 3.728 1.00 0.00 C ATOM 397 C ILE A 41 1.530 -13.240 5.051 1.00 0.00 C ATOM 398 O ILE A 41 0.972 -13.388 6.121 1.00 0.00 O ATOM 399 CB ILE A 41 0.725 -12.208 2.857 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.041 -11.064 3.544 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.025 -12.541 1.541 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.724 -10.570 4.765 1.00 0.00 C ATOM 0 H ILE A 41 -1.307 -13.148 3.978 1.00 0.00 H new ATOM 0 HA ILE A 41 1.350 -14.257 3.206 1.00 0.00 H new ATOM 0 HB ILE A 41 1.749 -11.873 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.187 -10.243 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.031 -11.409 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.026 -11.647 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.585 -13.316 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.984 -12.898 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.169 -9.761 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.847 -11.389 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.704 -10.206 4.457 1.00 0.00 H new ATOM 414 N GLY A 42 2.790 -12.903 4.983 1.00 0.00 N ATOM 415 CA GLY A 42 3.589 -12.686 6.229 1.00 0.00 C ATOM 416 C GLY A 42 2.840 -11.786 7.212 1.00 0.00 C ATOM 417 O GLY A 42 1.735 -11.359 6.969 1.00 0.00 O ATOM 0 H GLY A 42 3.305 -12.767 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.803 -13.646 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.548 -12.235 5.976 1.00 0.00 H new ATOM 421 N ASP A 43 3.446 -11.493 8.329 1.00 0.00 N ATOM 422 CA ASP A 43 2.777 -10.616 9.331 1.00 0.00 C ATOM 423 C ASP A 43 3.027 -9.147 8.985 1.00 0.00 C ATOM 424 O ASP A 43 3.669 -8.833 8.003 1.00 0.00 O ATOM 425 CB ASP A 43 3.430 -10.969 10.669 1.00 0.00 C ATOM 426 CG ASP A 43 2.447 -10.681 11.805 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.295 -11.058 11.676 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.864 -10.086 12.786 1.00 0.00 O ATOM 0 H ASP A 43 4.375 -11.823 8.591 1.00 0.00 H new ATOM 0 HA ASP A 43 1.697 -10.763 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.718 -12.020 10.680 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.342 -10.388 10.806 1.00 0.00 H new ATOM 433 N LEU A 44 2.524 -8.242 9.779 1.00 0.00 N ATOM 434 CA LEU A 44 2.738 -6.797 9.484 1.00 0.00 C ATOM 435 C LEU A 44 3.048 -6.026 10.768 1.00 0.00 C ATOM 436 O LEU A 44 2.394 -6.192 11.778 1.00 0.00 O ATOM 437 CB LEU A 44 1.417 -6.312 8.885 1.00 0.00 C ATOM 438 CG LEU A 44 1.551 -6.183 7.367 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.766 -5.317 7.028 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.727 -7.572 6.751 1.00 0.00 C ATOM 0 H LEU A 44 1.976 -8.439 10.616 1.00 0.00 H new ATOM 0 HA LEU A 44 3.579 -6.642 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.618 -7.011 9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.143 -5.350 9.318 1.00 0.00 H new ATOM 0 HG LEU A 44 0.652 -5.716 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.858 -5.227 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.640 -4.326 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.667 -5.780 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.823 -7.481 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.625 -8.039 7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.859 -8.188 6.988 1.00 0.00 H new ATOM 452 N ASP A 45 4.036 -5.175 10.732 1.00 0.00 N ATOM 453 CA ASP A 45 4.381 -4.380 11.944 1.00 0.00 C ATOM 454 C ASP A 45 3.517 -3.119 11.989 1.00 0.00 C ATOM 455 O ASP A 45 3.283 -2.547 13.035 1.00 0.00 O ATOM 456 CB ASP A 45 5.857 -4.018 11.776 1.00 0.00 C ATOM 457 CG ASP A 45 6.403 -3.477 13.098 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.248 -4.153 14.102 1.00 0.00 O ATOM 459 OD2 ASP A 45 6.969 -2.396 13.084 1.00 0.00 O ATOM 0 H ASP A 45 4.620 -4.996 9.915 1.00 0.00 H new ATOM 0 HA ASP A 45 4.206 -4.927 12.870 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.425 -4.896 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.972 -3.272 10.990 1.00 0.00 H new ATOM 464 N LYS A 46 3.039 -2.689 10.854 1.00 0.00 N ATOM 465 CA LYS A 46 2.182 -1.471 10.808 1.00 0.00 C ATOM 466 C LYS A 46 1.314 -1.501 9.546 1.00 0.00 C ATOM 467 O LYS A 46 1.668 -2.115 8.558 1.00 0.00 O ATOM 468 CB LYS A 46 3.160 -0.298 10.760 1.00 0.00 C ATOM 469 CG LYS A 46 3.926 -0.323 9.435 1.00 0.00 C ATOM 470 CD LYS A 46 5.428 -0.383 9.715 1.00 0.00 C ATOM 471 CE LYS A 46 6.058 0.980 9.423 1.00 0.00 C ATOM 472 NZ LYS A 46 6.737 0.814 8.108 1.00 0.00 N ATOM 0 H LYS A 46 3.206 -3.132 9.951 1.00 0.00 H new ATOM 0 HA LYS A 46 1.509 -1.399 11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.620 0.643 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.857 -0.358 11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.621 -1.186 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.690 0.565 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.604 -0.661 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.893 -1.150 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.302 1.764 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.767 1.262 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.194 1.708 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.456 0.066 8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.036 0.552 7.386 1.00 0.00 H new ATOM 486 N LYS A 47 0.186 -0.845 9.560 1.00 0.00 N ATOM 487 CA LYS A 47 -0.683 -0.848 8.348 1.00 0.00 C ATOM 488 C LYS A 47 -0.854 0.578 7.823 1.00 0.00 C ATOM 489 O LYS A 47 -1.933 0.990 7.450 1.00 0.00 O ATOM 490 CB LYS A 47 -2.023 -1.437 8.805 1.00 0.00 C ATOM 491 CG LYS A 47 -2.743 -0.457 9.735 1.00 0.00 C ATOM 492 CD LYS A 47 -2.251 -0.654 11.170 1.00 0.00 C ATOM 493 CE LYS A 47 -3.452 -0.801 12.107 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.360 0.360 13.035 1.00 0.00 N ATOM 0 H LYS A 47 -0.170 -0.310 10.352 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.255 -1.432 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.648 -1.653 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.856 -2.383 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.557 0.568 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.820 -0.617 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.619 -1.540 11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.640 0.195 11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.390 -0.789 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.415 -1.745 12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.151 0.329 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.460 0.319 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.404 1.245 12.490 1.00 0.00 H new ATOM 508 N LYS A 48 0.214 1.327 7.787 1.00 0.00 N ATOM 509 CA LYS A 48 0.137 2.728 7.281 1.00 0.00 C ATOM 510 C LYS A 48 1.526 3.189 6.836 1.00 0.00 C ATOM 511 O LYS A 48 2.404 3.404 7.649 1.00 0.00 O ATOM 512 CB LYS A 48 -0.338 3.564 8.471 1.00 0.00 C ATOM 513 CG LYS A 48 -1.713 3.078 8.930 1.00 0.00 C ATOM 514 CD LYS A 48 -2.332 4.112 9.870 1.00 0.00 C ATOM 515 CE LYS A 48 -3.857 4.041 9.774 1.00 0.00 C ATOM 516 NZ LYS A 48 -4.296 5.452 9.589 1.00 0.00 N ATOM 0 H LYS A 48 1.142 1.028 8.088 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.534 2.823 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.377 3.487 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.389 4.616 8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.361 2.921 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.620 2.118 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.012 3.924 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.987 5.112 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.171 3.417 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.290 3.608 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.314 5.474 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.110 5.990 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.771 5.878 8.799 1.00 0.00 H new ATOM 530 N TYR A 49 1.740 3.344 5.559 1.00 0.00 N ATOM 531 CA TYR A 49 3.084 3.792 5.093 1.00 0.00 C ATOM 532 C TYR A 49 3.043 5.265 4.695 1.00 0.00 C ATOM 533 O TYR A 49 2.097 5.738 4.096 1.00 0.00 O ATOM 534 CB TYR A 49 3.413 2.931 3.872 1.00 0.00 C ATOM 535 CG TYR A 49 3.650 1.503 4.297 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.598 0.740 4.817 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.926 0.943 4.176 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.823 -0.582 5.219 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.151 -0.379 4.575 1.00 0.00 C ATOM 540 CZ TYR A 49 4.100 -1.142 5.099 1.00 0.00 C ATOM 541 OH TYR A 49 4.324 -2.444 5.494 1.00 0.00 O ATOM 0 H TYR A 49 1.051 3.182 4.824 1.00 0.00 H new ATOM 0 HA TYR A 49 3.833 3.685 5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.594 2.974 3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.298 3.321 3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.612 1.171 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.738 1.531 3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.011 -1.170 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.136 -0.811 4.479 1.00 0.00 H new ATOM 0 HH TYR A 49 3.504 -2.967 5.376 1.00 0.00 H new ATOM 551 N LEU A 50 4.076 5.985 5.011 1.00 0.00 N ATOM 552 CA LEU A 50 4.130 7.426 4.643 1.00 0.00 C ATOM 553 C LEU A 50 5.067 7.591 3.449 1.00 0.00 C ATOM 554 O LEU A 50 6.268 7.693 3.600 1.00 0.00 O ATOM 555 CB LEU A 50 4.693 8.134 5.875 1.00 0.00 C ATOM 556 CG LEU A 50 3.773 9.293 6.263 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.406 8.746 6.675 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.389 10.060 7.437 1.00 0.00 C ATOM 0 H LEU A 50 4.893 5.637 5.512 1.00 0.00 H new ATOM 0 HA LEU A 50 3.158 7.834 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.779 7.431 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.696 8.506 5.667 1.00 0.00 H new ATOM 0 HG LEU A 50 3.654 9.962 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.752 9.573 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.967 8.198 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.524 8.076 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.735 10.886 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.508 9.389 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.364 10.451 7.145 1.00 0.00 H new ATOM 570 N VAL A 51 4.534 7.597 2.260 1.00 0.00 N ATOM 571 CA VAL A 51 5.412 7.730 1.065 1.00 0.00 C ATOM 572 C VAL A 51 5.089 9.009 0.292 1.00 0.00 C ATOM 573 O VAL A 51 3.966 9.469 0.288 1.00 0.00 O ATOM 574 CB VAL A 51 5.106 6.494 0.219 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.281 5.233 1.072 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.664 6.568 -0.289 1.00 0.00 C ATOM 0 H VAL A 51 3.536 7.516 2.064 1.00 0.00 H new ATOM 0 HA VAL A 51 6.466 7.795 1.335 1.00 0.00 H new ATOM 0 HB VAL A 51 5.790 6.457 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.063 4.352 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.307 5.179 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.598 5.270 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.445 5.687 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.981 6.606 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.538 7.464 -0.896 1.00 0.00 H new ATOM 586 N PRO A 52 6.101 9.539 -0.338 1.00 0.00 N ATOM 587 CA PRO A 52 5.940 10.782 -1.131 1.00 0.00 C ATOM 588 C PRO A 52 5.121 10.497 -2.396 1.00 0.00 C ATOM 589 O PRO A 52 5.139 9.403 -2.923 1.00 0.00 O ATOM 590 CB PRO A 52 7.378 11.178 -1.466 1.00 0.00 C ATOM 591 CG PRO A 52 8.152 9.900 -1.405 1.00 0.00 C ATOM 592 CD PRO A 52 7.477 9.033 -0.376 1.00 0.00 C ATOM 0 HA PRO A 52 5.407 11.573 -0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.443 11.632 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.763 11.908 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.164 9.408 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.190 10.089 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.508 7.980 -0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.961 9.117 0.597 1.00 0.00 H new ATOM 600 N SER A 53 4.389 11.466 -2.868 1.00 0.00 N ATOM 601 CA SER A 53 3.548 11.255 -4.084 1.00 0.00 C ATOM 602 C SER A 53 4.409 10.919 -5.309 1.00 0.00 C ATOM 603 O SER A 53 3.916 10.431 -6.307 1.00 0.00 O ATOM 604 CB SER A 53 2.829 12.586 -4.293 1.00 0.00 C ATOM 605 OG SER A 53 1.583 12.560 -3.608 1.00 0.00 O ATOM 0 H SER A 53 4.335 12.401 -2.464 1.00 0.00 H new ATOM 0 HA SER A 53 2.860 10.419 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.444 13.406 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.669 12.763 -5.357 1.00 0.00 H new ATOM 0 HG SER A 53 1.120 13.414 -3.739 1.00 0.00 H new ATOM 611 N ASP A 54 5.683 11.189 -5.251 1.00 0.00 N ATOM 612 CA ASP A 54 6.561 10.900 -6.423 1.00 0.00 C ATOM 613 C ASP A 54 7.024 9.437 -6.428 1.00 0.00 C ATOM 614 O ASP A 54 7.580 8.964 -7.399 1.00 0.00 O ATOM 615 CB ASP A 54 7.757 11.838 -6.255 1.00 0.00 C ATOM 616 CG ASP A 54 8.326 12.193 -7.630 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.732 11.284 -8.335 1.00 0.00 O ATOM 618 OD2 ASP A 54 8.344 13.369 -7.955 1.00 0.00 O ATOM 0 H ASP A 54 6.156 11.597 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 54 6.037 11.055 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.451 12.744 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.524 11.361 -5.645 1.00 0.00 H new ATOM 623 N LEU A 55 6.818 8.718 -5.358 1.00 0.00 N ATOM 624 CA LEU A 55 7.272 7.295 -5.331 1.00 0.00 C ATOM 625 C LEU A 55 6.571 6.474 -6.406 1.00 0.00 C ATOM 626 O LEU A 55 5.391 6.621 -6.652 1.00 0.00 O ATOM 627 CB LEU A 55 6.876 6.746 -3.960 1.00 0.00 C ATOM 628 CG LEU A 55 8.106 6.608 -3.066 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.760 5.713 -1.875 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.259 5.967 -3.842 1.00 0.00 C ATOM 0 H LEU A 55 6.360 9.048 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 55 8.345 7.238 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.150 7.411 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.392 5.776 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 55 8.408 7.599 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.634 5.610 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.943 6.161 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.456 4.730 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.129 5.875 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.959 4.978 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.512 6.591 -4.700 1.00 0.00 H new ATOM 642 N THR A 56 7.289 5.585 -7.023 1.00 0.00 N ATOM 643 CA THR A 56 6.675 4.717 -8.062 1.00 0.00 C ATOM 644 C THR A 56 6.156 3.434 -7.407 1.00 0.00 C ATOM 645 O THR A 56 6.647 3.009 -6.376 1.00 0.00 O ATOM 646 CB THR A 56 7.804 4.403 -9.045 1.00 0.00 C ATOM 647 OG1 THR A 56 9.012 4.194 -8.325 1.00 0.00 O ATOM 648 CG2 THR A 56 7.980 5.570 -10.016 1.00 0.00 C ATOM 0 H THR A 56 8.281 5.420 -6.852 1.00 0.00 H new ATOM 0 HA THR A 56 5.833 5.193 -8.564 1.00 0.00 H new ATOM 0 HB THR A 56 7.556 3.503 -9.608 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.736 3.991 -8.953 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.785 5.343 -10.715 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.053 5.727 -10.568 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.227 6.473 -9.458 1.00 0.00 H new ATOM 656 N VAL A 57 5.173 2.810 -7.990 1.00 0.00 N ATOM 657 CA VAL A 57 4.640 1.556 -7.390 1.00 0.00 C ATOM 658 C VAL A 57 5.782 0.559 -7.173 1.00 0.00 C ATOM 659 O VAL A 57 5.679 -0.353 -6.380 1.00 0.00 O ATOM 660 CB VAL A 57 3.642 1.022 -8.413 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.318 -0.439 -8.097 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.359 1.854 -8.355 1.00 0.00 C ATOM 0 H VAL A 57 4.717 3.111 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 57 4.172 1.721 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 57 4.074 1.089 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.605 -0.820 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.232 -1.032 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.886 -0.508 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.645 1.473 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.927 1.787 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.590 2.895 -8.582 1.00 0.00 H new ATOM 672 N GLY A 58 6.871 0.728 -7.877 1.00 0.00 N ATOM 673 CA GLY A 58 8.020 -0.208 -7.711 1.00 0.00 C ATOM 674 C GLY A 58 8.696 0.040 -6.358 1.00 0.00 C ATOM 675 O GLY A 58 9.096 -0.884 -5.677 1.00 0.00 O ATOM 0 H GLY A 58 7.013 1.473 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.673 -1.240 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.738 -0.065 -8.519 1.00 0.00 H new ATOM 679 N GLN A 59 8.825 1.277 -5.958 1.00 0.00 N ATOM 680 CA GLN A 59 9.473 1.574 -4.645 1.00 0.00 C ATOM 681 C GLN A 59 8.582 1.074 -3.509 1.00 0.00 C ATOM 682 O GLN A 59 9.033 0.416 -2.586 1.00 0.00 O ATOM 683 CB GLN A 59 9.600 3.094 -4.595 1.00 0.00 C ATOM 684 CG GLN A 59 10.453 3.573 -5.769 1.00 0.00 C ATOM 685 CD GLN A 59 11.866 3.893 -5.276 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.059 4.227 -4.124 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.869 3.805 -6.106 1.00 0.00 N ATOM 0 H GLN A 59 8.511 2.094 -6.482 1.00 0.00 H new ATOM 0 HA GLN A 59 10.442 1.086 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.613 3.554 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.054 3.401 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.491 2.805 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.005 4.458 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.707 3.525 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.815 4.017 -5.787 1.00 0.00 H new ATOM 696 N PHE A 60 7.317 1.379 -3.569 1.00 0.00 N ATOM 697 CA PHE A 60 6.402 0.911 -2.493 1.00 0.00 C ATOM 698 C PHE A 60 6.414 -0.618 -2.444 1.00 0.00 C ATOM 699 O PHE A 60 6.526 -1.211 -1.393 1.00 0.00 O ATOM 700 CB PHE A 60 5.012 1.429 -2.872 1.00 0.00 C ATOM 701 CG PHE A 60 4.070 1.192 -1.714 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.417 1.641 -0.436 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.861 0.516 -1.913 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.559 1.415 0.646 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.003 0.286 -0.830 1.00 0.00 C ATOM 706 CZ PHE A 60 2.353 0.736 0.450 1.00 0.00 C ATOM 0 H PHE A 60 6.880 1.927 -4.310 1.00 0.00 H new ATOM 0 HA PHE A 60 6.701 1.274 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.057 2.492 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.649 0.918 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.350 2.164 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.590 0.172 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.828 1.765 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.071 -0.238 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.691 0.558 1.285 1.00 0.00 H new ATOM 716 N TYR A 61 6.317 -1.266 -3.574 1.00 0.00 N ATOM 717 CA TYR A 61 6.338 -2.753 -3.579 1.00 0.00 C ATOM 718 C TYR A 61 7.536 -3.259 -2.778 1.00 0.00 C ATOM 719 O TYR A 61 7.548 -4.373 -2.290 1.00 0.00 O ATOM 720 CB TYR A 61 6.474 -3.129 -5.052 1.00 0.00 C ATOM 721 CG TYR A 61 5.424 -4.153 -5.410 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.467 -5.433 -4.845 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.403 -3.819 -6.307 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.491 -6.380 -5.179 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.426 -4.764 -6.641 1.00 0.00 C ATOM 726 CZ TYR A 61 3.470 -6.045 -6.078 1.00 0.00 C ATOM 727 OH TYR A 61 2.508 -6.977 -6.409 1.00 0.00 O ATOM 0 H TYR A 61 6.224 -0.829 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 61 5.448 -3.190 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.361 -2.243 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.469 -3.530 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.253 -5.690 -4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.369 -2.831 -6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.525 -7.368 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.638 -4.505 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 61 1.874 -6.582 -7.043 1.00 0.00 H new ATOM 737 N PHE A 62 8.540 -2.445 -2.633 1.00 0.00 N ATOM 738 CA PHE A 62 9.739 -2.869 -1.861 1.00 0.00 C ATOM 739 C PHE A 62 9.481 -2.731 -0.358 1.00 0.00 C ATOM 740 O PHE A 62 9.658 -3.665 0.397 1.00 0.00 O ATOM 741 CB PHE A 62 10.852 -1.919 -2.303 1.00 0.00 C ATOM 742 CG PHE A 62 12.145 -2.686 -2.439 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.326 -3.571 -3.508 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.165 -2.510 -1.495 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.525 -4.282 -3.634 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.364 -3.221 -1.621 1.00 0.00 C ATOM 747 CZ PHE A 62 14.545 -4.107 -2.690 1.00 0.00 C ATOM 0 H PHE A 62 8.583 -1.501 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 62 9.997 -3.912 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.591 -1.454 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.968 -1.115 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.540 -3.705 -4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.026 -1.826 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.664 -4.965 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.150 -3.086 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.471 -4.655 -2.787 1.00 0.00 H new ATOM 757 N LEU A 63 9.087 -1.566 0.091 1.00 0.00 N ATOM 758 CA LEU A 63 8.855 -1.392 1.562 1.00 0.00 C ATOM 759 C LEU A 63 7.778 -2.353 2.102 1.00 0.00 C ATOM 760 O LEU A 63 7.765 -2.656 3.279 1.00 0.00 O ATOM 761 CB LEU A 63 8.477 0.082 1.803 1.00 0.00 C ATOM 762 CG LEU A 63 7.348 0.557 0.879 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.993 0.155 1.460 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.424 2.083 0.778 1.00 0.00 C ATOM 0 H LEU A 63 8.918 -0.740 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 63 9.764 -1.642 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.171 0.210 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.356 0.709 1.650 1.00 0.00 H new ATOM 0 HG LEU A 63 7.457 0.102 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.197 0.496 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.945 -0.930 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.868 0.611 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.630 2.444 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.305 2.520 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.391 2.373 0.367 1.00 0.00 H new ATOM 776 N ILE A 64 6.900 -2.876 1.278 1.00 0.00 N ATOM 777 CA ILE A 64 5.892 -3.848 1.827 1.00 0.00 C ATOM 778 C ILE A 64 6.462 -5.257 1.725 1.00 0.00 C ATOM 779 O ILE A 64 6.272 -6.083 2.594 1.00 0.00 O ATOM 780 CB ILE A 64 4.629 -3.768 0.967 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.370 -2.336 0.511 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.434 -4.266 1.789 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.950 -2.231 -0.049 1.00 0.00 C ATOM 0 H ILE A 64 6.834 -2.682 0.279 1.00 0.00 H new ATOM 0 HA ILE A 64 5.663 -3.611 2.866 1.00 0.00 H new ATOM 0 HB ILE A 64 4.766 -4.390 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.495 -1.648 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.095 -2.048 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.529 -4.213 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.607 -5.298 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.316 -3.641 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.762 -1.208 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.842 -2.908 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.232 -2.502 0.726 1.00 0.00 H new ATOM 795 N ARG A 65 7.151 -5.533 0.650 1.00 0.00 N ATOM 796 CA ARG A 65 7.743 -6.890 0.450 1.00 0.00 C ATOM 797 C ARG A 65 8.239 -7.466 1.781 1.00 0.00 C ATOM 798 O ARG A 65 7.757 -8.480 2.243 1.00 0.00 O ATOM 799 CB ARG A 65 8.914 -6.669 -0.509 1.00 0.00 C ATOM 800 CG ARG A 65 8.882 -7.733 -1.608 1.00 0.00 C ATOM 801 CD ARG A 65 8.982 -7.057 -2.977 1.00 0.00 C ATOM 802 NE ARG A 65 9.858 -7.952 -3.783 1.00 0.00 N ATOM 803 CZ ARG A 65 9.891 -7.836 -5.082 1.00 0.00 C ATOM 804 NH1 ARG A 65 9.954 -6.653 -5.630 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.861 -8.902 -5.834 1.00 0.00 N ATOM 0 H ARG A 65 7.331 -4.871 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 65 7.016 -7.600 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.854 -5.674 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.858 -6.721 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.707 -8.433 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.960 -8.311 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.000 -6.947 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.408 -6.057 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 65 10.432 -8.656 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.977 -5.819 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.980 -6.562 -6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.812 -9.827 -5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.887 -8.811 -6.850 1.00 0.00 H new ATOM 817 N LYS A 66 9.193 -6.828 2.403 1.00 0.00 N ATOM 818 CA LYS A 66 9.704 -7.347 3.706 1.00 0.00 C ATOM 819 C LYS A 66 8.612 -7.243 4.770 1.00 0.00 C ATOM 820 O LYS A 66 8.544 -8.043 5.682 1.00 0.00 O ATOM 821 CB LYS A 66 10.892 -6.452 4.057 1.00 0.00 C ATOM 822 CG LYS A 66 12.139 -6.950 3.322 1.00 0.00 C ATOM 823 CD LYS A 66 12.572 -5.909 2.287 1.00 0.00 C ATOM 824 CE LYS A 66 13.979 -6.243 1.784 1.00 0.00 C ATOM 825 NZ LYS A 66 14.770 -5.000 2.004 1.00 0.00 N ATOM 0 H LYS A 66 9.639 -5.974 2.068 1.00 0.00 H new ATOM 0 HA LYS A 66 9.997 -8.395 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.679 -5.420 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.063 -6.461 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.946 -7.129 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.930 -7.901 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.870 -5.896 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.560 -4.913 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.405 -7.084 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.966 -6.522 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.748 -5.150 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.345 -4.218 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.770 -4.763 3.017 1.00 0.00 H new ATOM 839 N ARG A 67 7.752 -6.270 4.657 1.00 0.00 N ATOM 840 CA ARG A 67 6.657 -6.131 5.655 1.00 0.00 C ATOM 841 C ARG A 67 5.680 -7.300 5.507 1.00 0.00 C ATOM 842 O ARG A 67 4.852 -7.546 6.361 1.00 0.00 O ATOM 843 CB ARG A 67 5.971 -4.808 5.313 1.00 0.00 C ATOM 844 CG ARG A 67 6.945 -3.651 5.543 1.00 0.00 C ATOM 845 CD ARG A 67 7.141 -3.437 7.046 1.00 0.00 C ATOM 846 NE ARG A 67 8.366 -2.596 7.159 1.00 0.00 N ATOM 847 CZ ARG A 67 9.353 -2.979 7.921 1.00 0.00 C ATOM 848 NH1 ARG A 67 10.218 -3.851 7.479 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.476 -2.490 9.125 1.00 0.00 N ATOM 0 H ARG A 67 7.760 -5.567 3.918 1.00 0.00 H new ATOM 0 HA ARG A 67 7.021 -6.139 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.639 -4.816 4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.082 -4.677 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.902 -3.868 5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.560 -2.741 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.278 -2.940 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.264 -4.386 7.567 1.00 0.00 H new ATOM 0 HE ARG A 67 8.433 -1.720 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.122 -4.233 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.990 -4.151 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.800 -1.808 9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.248 -2.790 9.721 1.00 0.00 H new ATOM 861 N ILE A 68 5.778 -8.024 4.424 1.00 0.00 N ATOM 862 CA ILE A 68 4.867 -9.184 4.209 1.00 0.00 C ATOM 863 C ILE A 68 5.619 -10.484 4.492 1.00 0.00 C ATOM 864 O ILE A 68 5.186 -11.560 4.130 1.00 0.00 O ATOM 865 CB ILE A 68 4.466 -9.102 2.738 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.517 -7.918 2.535 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.760 -10.393 2.323 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.386 -7.611 1.043 1.00 0.00 C ATOM 0 H ILE A 68 6.453 -7.861 3.677 1.00 0.00 H new ATOM 0 HA ILE A 68 3.997 -9.165 4.865 1.00 0.00 H new ATOM 0 HB ILE A 68 5.359 -8.966 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.538 -8.148 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.894 -7.043 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.475 -10.331 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.433 -11.238 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.867 -10.532 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.710 -6.768 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.366 -7.362 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.989 -8.484 0.525 1.00 0.00 H new ATOM 880 N HIS A 69 6.752 -10.384 5.130 1.00 0.00 N ATOM 881 CA HIS A 69 7.553 -11.600 5.446 1.00 0.00 C ATOM 882 C HIS A 69 7.687 -12.486 4.213 1.00 0.00 C ATOM 883 O HIS A 69 7.836 -13.688 4.308 1.00 0.00 O ATOM 884 CB HIS A 69 6.778 -12.319 6.550 1.00 0.00 C ATOM 885 CG HIS A 69 7.746 -12.901 7.544 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.878 -12.218 7.959 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.763 -14.099 8.215 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.524 -13.003 8.841 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.886 -14.161 9.033 1.00 0.00 N ATOM 0 H HIS A 69 7.160 -9.505 5.448 1.00 0.00 H new ATOM 0 HA HIS A 69 8.566 -11.351 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.103 -11.623 7.048 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.161 -13.109 6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.018 -14.875 8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.446 -12.730 9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.163 -14.926 9.648 1.00 0.00 H new ATOM 897 N LEU A 70 7.656 -11.898 3.055 1.00 0.00 N ATOM 898 CA LEU A 70 7.804 -12.704 1.811 1.00 0.00 C ATOM 899 C LEU A 70 9.148 -12.390 1.152 1.00 0.00 C ATOM 900 O LEU A 70 9.715 -11.335 1.352 1.00 0.00 O ATOM 901 CB LEU A 70 6.635 -12.304 0.906 1.00 0.00 C ATOM 902 CG LEU A 70 6.758 -10.833 0.485 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.819 -10.696 -0.609 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.412 -10.353 -0.062 1.00 0.00 C ATOM 0 H LEU A 70 7.535 -10.895 2.913 1.00 0.00 H new ATOM 0 HA LEU A 70 7.787 -13.776 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.618 -12.941 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.692 -12.461 1.430 1.00 0.00 H new ATOM 0 HG LEU A 70 7.046 -10.233 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.903 -9.650 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.780 -11.044 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.531 -11.296 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.493 -9.308 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.133 -10.958 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.650 -10.450 0.711 1.00 0.00 H new ATOM 916 N ARG A 71 9.671 -13.300 0.378 1.00 0.00 N ATOM 917 CA ARG A 71 10.988 -13.042 -0.275 1.00 0.00 C ATOM 918 C ARG A 71 11.259 -14.059 -1.388 1.00 0.00 C ATOM 919 O ARG A 71 10.411 -14.852 -1.742 1.00 0.00 O ATOM 920 CB ARG A 71 12.014 -13.203 0.850 1.00 0.00 C ATOM 921 CG ARG A 71 12.229 -14.694 1.141 1.00 0.00 C ATOM 922 CD ARG A 71 13.375 -14.860 2.142 1.00 0.00 C ATOM 923 NE ARG A 71 13.194 -16.224 2.711 1.00 0.00 N ATOM 924 CZ ARG A 71 14.233 -16.989 2.914 1.00 0.00 C ATOM 925 NH1 ARG A 71 15.423 -16.463 3.001 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.079 -18.280 3.031 1.00 0.00 N ATOM 0 H ARG A 71 9.249 -14.205 0.170 1.00 0.00 H new ATOM 0 HA ARG A 71 11.025 -12.057 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.958 -12.738 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.666 -12.693 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.315 -15.132 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.459 -15.226 0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.344 -14.762 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.332 -14.098 2.921 1.00 0.00 H new ATOM 0 HE ARG A 71 12.259 -16.561 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.542 -15.454 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.234 -17.060 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.148 -18.691 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.890 -18.878 3.190 1.00 0.00 H new ATOM 938 N ALA A 72 12.449 -14.047 -1.925 1.00 0.00 N ATOM 939 CA ALA A 72 12.801 -15.017 -3.000 1.00 0.00 C ATOM 940 C ALA A 72 11.796 -14.940 -4.150 1.00 0.00 C ATOM 941 O ALA A 72 11.982 -14.207 -5.100 1.00 0.00 O ATOM 942 CB ALA A 72 12.744 -16.387 -2.326 1.00 0.00 C ATOM 0 H ALA A 72 13.196 -13.403 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 72 13.780 -14.811 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.992 -17.161 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.460 -16.418 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.740 -16.561 -1.939 1.00 0.00 H new ATOM 948 N GLU A 73 10.739 -15.701 -4.082 1.00 0.00 N ATOM 949 CA GLU A 73 9.739 -15.676 -5.184 1.00 0.00 C ATOM 950 C GLU A 73 8.329 -15.953 -4.650 1.00 0.00 C ATOM 951 O GLU A 73 7.508 -16.544 -5.323 1.00 0.00 O ATOM 952 CB GLU A 73 10.194 -16.785 -6.135 1.00 0.00 C ATOM 953 CG GLU A 73 9.718 -18.149 -5.622 1.00 0.00 C ATOM 954 CD GLU A 73 8.522 -18.619 -6.452 1.00 0.00 C ATOM 955 OE1 GLU A 73 8.489 -18.312 -7.631 1.00 0.00 O ATOM 956 OE2 GLU A 73 7.660 -19.277 -5.894 1.00 0.00 O ATOM 0 H GLU A 73 10.525 -16.337 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 73 9.687 -14.705 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.796 -16.604 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.281 -16.779 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.527 -18.876 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.438 -18.076 -4.571 1.00 0.00 H new ATOM 963 N ASP A 74 8.036 -15.528 -3.452 1.00 0.00 N ATOM 964 CA ASP A 74 6.676 -15.770 -2.897 1.00 0.00 C ATOM 965 C ASP A 74 5.627 -15.180 -3.828 1.00 0.00 C ATOM 966 O ASP A 74 5.929 -14.553 -4.825 1.00 0.00 O ATOM 967 CB ASP A 74 6.669 -15.080 -1.523 1.00 0.00 C ATOM 968 CG ASP A 74 5.304 -14.450 -1.213 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.462 -15.147 -0.674 1.00 0.00 O ATOM 970 OD2 ASP A 74 5.129 -13.282 -1.520 1.00 0.00 O ATOM 0 H ASP A 74 8.676 -15.026 -2.837 1.00 0.00 H new ATOM 0 HA ASP A 74 6.443 -16.830 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.919 -15.806 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.440 -14.310 -1.498 1.00 0.00 H new ATOM 975 N ALA A 75 4.399 -15.379 -3.491 1.00 0.00 N ATOM 976 CA ALA A 75 3.291 -14.841 -4.328 1.00 0.00 C ATOM 977 C ALA A 75 2.659 -13.627 -3.647 1.00 0.00 C ATOM 978 O ALA A 75 2.454 -13.611 -2.450 1.00 0.00 O ATOM 979 CB ALA A 75 2.279 -15.977 -4.441 1.00 0.00 C ATOM 0 H ALA A 75 4.102 -15.896 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 75 3.640 -14.514 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.433 -15.652 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.751 -16.839 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.929 -16.253 -3.446 1.00 0.00 H new ATOM 985 N LEU A 76 2.347 -12.612 -4.402 1.00 0.00 N ATOM 986 CA LEU A 76 1.725 -11.400 -3.798 1.00 0.00 C ATOM 987 C LEU A 76 1.103 -10.522 -4.881 1.00 0.00 C ATOM 988 O LEU A 76 1.527 -10.521 -6.019 1.00 0.00 O ATOM 989 CB LEU A 76 2.869 -10.661 -3.108 1.00 0.00 C ATOM 990 CG LEU A 76 2.384 -9.289 -2.638 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.532 -9.452 -1.379 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.591 -8.402 -2.325 1.00 0.00 C ATOM 0 H LEU A 76 2.495 -12.568 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 76 0.927 -11.658 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.230 -11.241 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.708 -10.546 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 76 1.786 -8.827 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.187 -8.474 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.672 -10.084 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.129 -9.914 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.246 -7.424 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.189 -8.865 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.199 -8.285 -3.222 1.00 0.00 H new ATOM 1004 N PHE A 77 0.102 -9.770 -4.524 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.564 -8.879 -5.512 1.00 0.00 C ATOM 1006 C PHE A 77 -1.311 -7.759 -4.783 1.00 0.00 C ATOM 1007 O PHE A 77 -2.168 -8.013 -3.957 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.559 -9.776 -6.245 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.824 -10.888 -6.953 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.162 -10.634 -8.160 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.809 -12.175 -6.403 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.517 -11.667 -8.816 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.131 -13.209 -7.059 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.532 -12.955 -8.266 1.00 0.00 C ATOM 0 H PHE A 77 -0.287 -9.734 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 77 0.148 -8.411 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.275 -10.194 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.129 -9.189 -6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.175 -9.641 -8.585 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.321 -12.370 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.029 -11.471 -9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.119 -14.202 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.055 -13.752 -8.773 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.991 -6.524 -5.067 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.683 -5.405 -4.382 1.00 0.00 C ATOM 1026 C PHE A 78 -2.987 -5.037 -5.094 1.00 0.00 C ATOM 1027 O PHE A 78 -3.027 -4.857 -6.295 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.706 -4.248 -4.480 1.00 0.00 C ATOM 1029 CG PHE A 78 0.520 -4.531 -3.652 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.587 -5.650 -2.811 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.586 -3.648 -3.718 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.730 -5.872 -2.034 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.731 -3.865 -2.947 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.804 -4.977 -2.100 1.00 0.00 C ATOM 0 H PHE A 78 -0.280 -6.247 -5.744 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.950 -5.662 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.422 -4.089 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.182 -3.330 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.242 -6.340 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.532 -2.788 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.783 -6.733 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.560 -3.175 -3.005 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.686 -5.144 -1.499 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.046 -4.898 -4.350 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.347 -4.511 -4.955 1.00 0.00 C ATOM 1046 C PHE A 79 -5.811 -3.189 -4.347 1.00 0.00 C ATOM 1047 O PHE A 79 -5.986 -3.071 -3.149 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.315 -5.622 -4.577 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.739 -6.962 -4.970 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.903 -7.436 -6.278 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.043 -7.732 -4.029 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.373 -8.679 -6.644 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.513 -8.975 -4.397 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.678 -9.448 -5.704 1.00 0.00 C ATOM 0 H PHE A 79 -4.066 -5.037 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.281 -4.383 -6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.507 -5.599 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.272 -5.468 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.438 -6.842 -7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.915 -7.367 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.501 -9.045 -7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.977 -9.569 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.269 -10.407 -5.987 1.00 0.00 H new ATOM 1064 N VAL A 80 -6.011 -2.198 -5.159 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.467 -0.882 -4.626 1.00 0.00 C ATOM 1066 C VAL A 80 -7.806 -0.496 -5.256 1.00 0.00 C ATOM 1067 O VAL A 80 -7.936 -0.422 -6.461 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.379 0.120 -5.017 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.480 1.349 -4.111 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.998 -0.521 -4.847 1.00 0.00 C ATOM 0 H VAL A 80 -5.880 -2.237 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.616 -0.908 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.514 0.413 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.707 2.067 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.461 1.809 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.344 1.048 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.227 0.197 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.859 -0.816 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.924 -1.401 -5.486 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.803 -0.254 -4.453 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.133 0.121 -5.012 1.00 0.00 C ATOM 1082 C ASN A 81 -10.547 -0.883 -6.093 1.00 0.00 C ATOM 1083 O ASN A 81 -11.179 -0.533 -7.070 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.931 1.510 -5.619 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.139 2.390 -5.293 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.776 2.215 -4.273 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.485 3.337 -6.123 1.00 0.00 N ATOM 0 H ASN A 81 -8.756 -0.299 -3.435 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.918 0.119 -4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.021 1.962 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.805 1.432 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.289 3.929 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.951 3.485 -6.979 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.194 -2.129 -5.927 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.566 -3.155 -6.945 1.00 0.00 C ATOM 1096 C ASN A 82 -9.825 -2.888 -8.258 1.00 0.00 C ATOM 1097 O ASN A 82 -10.363 -3.068 -9.333 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.074 -2.994 -7.139 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.672 -4.317 -7.619 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.105 -4.983 -8.462 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.802 -4.729 -7.114 1.00 0.00 N ATOM 0 H ASN A 82 -9.664 -2.482 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.302 -4.164 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.541 -2.690 -6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.276 -2.207 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.209 -5.610 -7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.278 -4.170 -6.406 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.597 -2.458 -8.179 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.818 -2.175 -9.420 1.00 0.00 C ATOM 1110 C VAL A 83 -6.403 -2.752 -9.289 1.00 0.00 C ATOM 1111 O VAL A 83 -5.993 -3.165 -8.223 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.774 -0.644 -9.523 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.448 -0.230 -10.960 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.136 -0.059 -9.132 1.00 0.00 C ATOM 0 H VAL A 83 -8.096 -2.289 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.266 -2.625 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.005 -0.267 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.418 0.857 -11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.478 -0.638 -11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.215 -0.614 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.100 1.028 -9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.904 -0.444 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.374 -0.345 -8.107 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.655 -2.769 -10.361 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.265 -3.316 -10.311 1.00 0.00 C ATOM 1126 C ILE A 84 -3.431 -2.675 -11.424 1.00 0.00 C ATOM 1127 O ILE A 84 -3.131 -3.303 -12.419 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.386 -4.821 -10.591 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.663 -5.407 -9.977 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.173 -5.542 -10.000 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -6.864 -5.077 -10.866 1.00 0.00 C ATOM 0 H ILE A 84 -5.949 -2.425 -11.275 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.792 -3.117 -9.350 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.429 -4.962 -11.671 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.564 -6.487 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.816 -5.001 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.254 -6.611 -10.196 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.262 -5.157 -10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.137 -5.372 -8.924 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.769 -5.496 -10.425 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.968 -3.995 -10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.712 -5.505 -11.857 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.093 -1.433 -11.212 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.291 -0.677 -12.207 1.00 0.00 C ATOM 1145 C PRO A 85 -0.842 -1.178 -12.237 1.00 0.00 C ATOM 1146 O PRO A 85 -0.355 -1.732 -11.272 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.357 0.762 -11.697 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.625 0.640 -10.230 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.424 -0.622 -10.034 1.00 0.00 C ATOM 0 HA PRO A 85 -2.665 -0.786 -13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.423 1.291 -11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.147 1.322 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.691 0.597 -9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.176 1.507 -9.865 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.150 -1.129 -9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.493 -0.414 -9.979 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.205 -0.959 -13.356 1.00 0.00 N ATOM 1158 CA PRO A 86 1.206 -1.384 -13.533 1.00 0.00 C ATOM 1159 C PRO A 86 2.136 -0.483 -12.722 1.00 0.00 C ATOM 1160 O PRO A 86 1.698 0.413 -12.028 1.00 0.00 O ATOM 1161 CB PRO A 86 1.446 -1.210 -15.032 1.00 0.00 C ATOM 1162 CG PRO A 86 0.456 -0.176 -15.464 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.737 -0.298 -14.554 1.00 0.00 C ATOM 0 HA PRO A 86 1.396 -2.402 -13.193 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.467 -0.887 -15.233 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.297 -2.148 -15.567 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.889 0.822 -15.400 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.165 -0.331 -16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.159 0.678 -14.317 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.531 -0.885 -15.014 1.00 0.00 H new ATOM 1171 N THR A 87 3.416 -0.716 -12.797 1.00 0.00 N ATOM 1172 CA THR A 87 4.370 0.128 -12.019 1.00 0.00 C ATOM 1173 C THR A 87 4.741 1.388 -12.799 1.00 0.00 C ATOM 1174 O THR A 87 5.723 2.044 -12.515 1.00 0.00 O ATOM 1175 CB THR A 87 5.605 -0.742 -11.806 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.807 -1.566 -12.947 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.413 -1.617 -10.567 1.00 0.00 C ATOM 0 H THR A 87 3.844 -1.451 -13.360 1.00 0.00 H new ATOM 0 HA THR A 87 3.933 0.457 -11.076 1.00 0.00 H new ATOM 0 HB THR A 87 6.476 -0.103 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.601 -2.124 -12.811 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.297 -2.237 -10.419 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.264 -0.983 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.541 -2.256 -10.705 1.00 0.00 H new ATOM 1185 N SER A 88 3.957 1.733 -13.770 1.00 0.00 N ATOM 1186 CA SER A 88 4.244 2.956 -14.574 1.00 0.00 C ATOM 1187 C SER A 88 3.549 4.163 -13.941 1.00 0.00 C ATOM 1188 O SER A 88 3.125 5.078 -14.619 1.00 0.00 O ATOM 1189 CB SER A 88 3.667 2.668 -15.958 1.00 0.00 C ATOM 1190 OG SER A 88 4.327 1.541 -16.516 1.00 0.00 O ATOM 0 H SER A 88 3.121 1.220 -14.049 1.00 0.00 H new ATOM 0 HA SER A 88 5.309 3.184 -14.622 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.596 2.478 -15.886 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.794 3.536 -16.605 1.00 0.00 H new ATOM 0 HG SER A 88 3.958 1.352 -17.404 1.00 0.00 H new ATOM 1196 N ALA A 89 3.427 4.163 -12.642 1.00 0.00 N ATOM 1197 CA ALA A 89 2.755 5.299 -11.949 1.00 0.00 C ATOM 1198 C ALA A 89 3.402 5.540 -10.590 1.00 0.00 C ATOM 1199 O ALA A 89 4.393 4.930 -10.240 1.00 0.00 O ATOM 1200 CB ALA A 89 1.303 4.852 -11.779 1.00 0.00 C ATOM 0 H ALA A 89 3.765 3.422 -12.028 1.00 0.00 H new ATOM 0 HA ALA A 89 2.833 6.231 -12.508 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.738 5.636 -11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.864 4.661 -12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.270 3.940 -11.183 1.00 0.00 H new ATOM 1206 N THR A 90 2.844 6.425 -9.824 1.00 0.00 N ATOM 1207 CA THR A 90 3.418 6.714 -8.481 1.00 0.00 C ATOM 1208 C THR A 90 2.297 6.889 -7.454 1.00 0.00 C ATOM 1209 O THR A 90 1.202 7.311 -7.774 1.00 0.00 O ATOM 1210 CB THR A 90 4.206 8.017 -8.651 1.00 0.00 C ATOM 1211 OG1 THR A 90 3.323 9.062 -9.029 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.273 7.833 -9.730 1.00 0.00 C ATOM 0 H THR A 90 2.013 6.964 -10.067 1.00 0.00 H new ATOM 0 HA THR A 90 4.053 5.904 -8.122 1.00 0.00 H new ATOM 0 HB THR A 90 4.686 8.274 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.279 9.728 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.833 8.761 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.954 7.034 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.795 7.573 -10.674 1.00 0.00 H new ATOM 1220 N MET A 91 2.560 6.553 -6.223 1.00 0.00 N ATOM 1221 CA MET A 91 1.512 6.688 -5.175 1.00 0.00 C ATOM 1222 C MET A 91 0.869 8.072 -5.248 1.00 0.00 C ATOM 1223 O MET A 91 -0.336 8.214 -5.163 1.00 0.00 O ATOM 1224 CB MET A 91 2.248 6.504 -3.847 1.00 0.00 C ATOM 1225 CG MET A 91 2.774 5.071 -3.750 1.00 0.00 C ATOM 1226 SD MET A 91 1.938 4.211 -2.394 1.00 0.00 S ATOM 1227 CE MET A 91 1.576 2.681 -3.289 1.00 0.00 C ATOM 0 H MET A 91 3.456 6.190 -5.897 1.00 0.00 H new ATOM 0 HA MET A 91 0.710 5.960 -5.297 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.074 7.212 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.576 6.713 -3.015 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.602 4.545 -4.689 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.851 5.078 -3.581 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.019 2.004 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.981 2.909 -4.173 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.510 2.207 -3.593 1.00 0.00 H new ATOM 1237 N GLY A 92 1.663 9.094 -5.406 1.00 0.00 N ATOM 1238 CA GLY A 92 1.098 10.471 -5.485 1.00 0.00 C ATOM 1239 C GLY A 92 -0.101 10.486 -6.431 1.00 0.00 C ATOM 1240 O GLY A 92 -1.125 11.069 -6.139 1.00 0.00 O ATOM 0 H GLY A 92 2.678 9.036 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.794 10.807 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.860 11.167 -5.838 1.00 0.00 H new ATOM 1244 N GLN A 93 0.017 9.846 -7.559 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.127 9.826 -8.519 1.00 0.00 C ATOM 1246 C GLN A 93 -2.293 9.065 -7.902 1.00 0.00 C ATOM 1247 O GLN A 93 -3.425 9.506 -7.933 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.626 9.084 -9.760 1.00 0.00 C ATOM 1249 CG GLN A 93 0.774 9.565 -10.127 1.00 0.00 C ATOM 1250 CD GLN A 93 0.820 9.917 -11.615 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.474 11.017 -12.000 1.00 0.00 O ATOM 1252 NE2 GLN A 93 1.234 9.026 -12.471 1.00 0.00 N ATOM 0 H GLN A 93 0.849 9.338 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.467 10.832 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.613 8.011 -9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.307 9.252 -10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.039 10.436 -9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.507 8.790 -9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.524 8.103 -12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.268 9.251 -13.465 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.023 7.921 -7.346 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.121 7.124 -6.731 1.00 0.00 C ATOM 1263 C LEU A 94 -3.842 7.946 -5.664 1.00 0.00 C ATOM 1264 O LEU A 94 -4.978 7.689 -5.332 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.429 5.897 -6.129 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.258 6.038 -4.612 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.542 5.591 -3.912 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.097 5.159 -4.154 1.00 0.00 C ATOM 0 H LEU A 94 -1.094 7.503 -7.290 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.884 6.834 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.013 5.004 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.453 5.763 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.051 7.078 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.422 5.691 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.373 6.214 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.748 4.550 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.971 5.256 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.308 4.119 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.182 5.474 -4.656 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.195 8.928 -5.115 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.868 9.735 -4.069 1.00 0.00 C ATOM 1282 C TYR A 95 -5.259 10.160 -4.554 1.00 0.00 C ATOM 1283 O TYR A 95 -6.253 9.882 -3.920 1.00 0.00 O ATOM 1284 CB TYR A 95 -2.961 10.951 -3.856 1.00 0.00 C ATOM 1285 CG TYR A 95 -2.967 11.319 -2.396 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.686 10.346 -1.436 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.260 12.630 -2.004 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.696 10.680 -0.076 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.270 12.968 -0.646 1.00 0.00 C ATOM 1290 CZ TYR A 95 -2.988 11.993 0.319 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.001 12.327 1.658 1.00 0.00 O ATOM 0 H TYR A 95 -2.240 9.205 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.014 9.182 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.946 10.725 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.310 11.791 -4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.461 9.335 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.478 13.381 -2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.479 9.927 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.495 13.980 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.221 13.277 1.756 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.340 10.820 -5.676 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.675 11.251 -6.197 1.00 0.00 C ATOM 1303 C GLN A 96 -7.496 10.055 -6.702 1.00 0.00 C ATOM 1304 O GLN A 96 -8.688 10.159 -6.913 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.366 12.212 -7.349 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.243 13.458 -7.221 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.563 14.002 -8.615 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -6.914 14.915 -9.087 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -8.542 13.476 -9.298 1.00 0.00 N ATOM 0 H GLN A 96 -4.543 11.081 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.272 11.720 -5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.313 12.492 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.549 11.722 -8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.165 13.214 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.730 14.218 -6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.086 12.710 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.763 13.831 -10.228 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.868 8.933 -6.938 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.620 7.754 -7.473 1.00 0.00 C ATOM 1320 C GLU A 97 -8.244 6.900 -6.358 1.00 0.00 C ATOM 1321 O GLU A 97 -9.449 6.775 -6.268 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.580 6.941 -8.245 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.681 7.264 -9.736 1.00 0.00 C ATOM 1324 CD GLU A 97 -6.666 5.965 -10.541 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -7.710 5.340 -10.637 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -5.613 5.617 -11.048 1.00 0.00 O ATOM 0 H GLU A 97 -5.871 8.780 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.455 8.077 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.579 7.171 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.742 5.876 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.597 7.819 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.850 7.901 -10.038 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.441 6.277 -5.538 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.992 5.401 -4.474 1.00 0.00 C ATOM 1335 C HIS A 98 -8.044 6.125 -3.126 1.00 0.00 C ATOM 1336 O HIS A 98 -7.747 5.558 -2.089 1.00 0.00 O ATOM 1337 CB HIS A 98 -7.003 4.245 -4.428 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.831 3.689 -5.813 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.837 3.747 -6.765 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.775 3.062 -6.419 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.366 3.169 -7.885 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.113 2.733 -7.728 1.00 0.00 N ATOM 0 H HIS A 98 -6.423 6.340 -5.563 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.016 5.086 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.044 4.586 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.363 3.469 -3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.824 2.854 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.932 3.070 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.530 2.261 -8.419 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.438 7.368 -3.134 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.534 8.132 -1.854 1.00 0.00 C ATOM 1352 C HIS A 99 -9.664 7.565 -0.998 1.00 0.00 C ATOM 1353 O HIS A 99 -9.714 7.757 0.200 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.831 9.573 -2.274 1.00 0.00 C ATOM 1355 CG HIS A 99 -10.101 9.641 -3.063 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -11.321 9.213 -2.568 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -10.347 10.108 -4.318 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -12.242 9.428 -3.527 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -11.699 9.974 -4.619 1.00 0.00 N ATOM 0 H HIS A 99 -8.698 7.890 -3.971 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.624 8.070 -1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.911 10.206 -1.390 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.005 9.961 -2.870 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.602 10.522 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.290 9.189 -3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.172 10.235 -5.484 1.00 0.00 H new ATOM 1367 N GLU A 100 -10.566 6.861 -1.621 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.719 6.247 -0.881 1.00 0.00 C ATOM 1369 C GLU A 100 -12.761 7.312 -0.517 1.00 0.00 C ATOM 1370 O GLU A 100 -13.802 7.408 -1.134 1.00 0.00 O ATOM 1371 CB GLU A 100 -11.115 5.630 0.385 1.00 0.00 C ATOM 1372 CG GLU A 100 -11.608 4.189 0.533 1.00 0.00 C ATOM 1373 CD GLU A 100 -12.893 4.173 1.364 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -12.791 4.260 2.577 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -13.956 4.072 0.774 1.00 0.00 O ATOM 0 H GLU A 100 -10.559 6.679 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.233 5.502 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.027 5.650 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.400 6.215 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.792 3.753 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.843 3.579 1.014 1.00 0.00 H new ATOM 1382 N GLU A 101 -12.490 8.114 0.477 1.00 0.00 N ATOM 1383 CA GLU A 101 -13.469 9.167 0.870 1.00 0.00 C ATOM 1384 C GLU A 101 -12.807 10.175 1.814 1.00 0.00 C ATOM 1385 O GLU A 101 -13.365 10.551 2.827 1.00 0.00 O ATOM 1386 CB GLU A 101 -14.594 8.418 1.586 1.00 0.00 C ATOM 1387 CG GLU A 101 -15.915 9.159 1.374 1.00 0.00 C ATOM 1388 CD GLU A 101 -16.911 8.746 2.458 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -16.529 7.975 3.324 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -18.040 9.208 2.405 1.00 0.00 O ATOM 0 H GLU A 101 -11.635 8.086 1.033 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.838 9.729 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.670 7.401 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.374 8.342 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.750 10.236 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.319 8.930 0.388 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.622 10.612 1.491 1.00 0.00 N ATOM 1398 CA ASP A 102 -10.923 11.593 2.367 1.00 0.00 C ATOM 1399 C ASP A 102 -9.532 11.902 1.806 1.00 0.00 C ATOM 1400 O ASP A 102 -9.339 11.976 0.608 1.00 0.00 O ATOM 1401 CB ASP A 102 -10.813 10.902 3.727 1.00 0.00 C ATOM 1402 CG ASP A 102 -11.094 11.914 4.838 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -11.008 13.101 4.568 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -11.391 11.486 5.942 1.00 0.00 O ATOM 0 H ASP A 102 -11.106 10.332 0.657 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.456 12.541 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.522 10.076 3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.817 10.477 3.851 1.00 0.00 H new ATOM 1409 N PHE A 103 -8.561 12.080 2.659 1.00 0.00 N ATOM 1410 CA PHE A 103 -7.182 12.382 2.160 1.00 0.00 C ATOM 1411 C PHE A 103 -6.376 11.086 2.041 1.00 0.00 C ATOM 1412 O PHE A 103 -5.897 10.736 0.981 1.00 0.00 O ATOM 1413 CB PHE A 103 -6.529 13.323 3.191 1.00 0.00 C ATOM 1414 CG PHE A 103 -7.585 14.111 3.936 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -8.156 15.246 3.349 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -7.992 13.703 5.213 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -9.134 15.975 4.038 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -8.969 14.431 5.901 1.00 0.00 C ATOM 1419 CZ PHE A 103 -9.541 15.567 5.315 1.00 0.00 C ATOM 0 H PHE A 103 -8.657 12.031 3.673 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.213 12.848 1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.935 12.742 3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.846 14.006 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.843 15.560 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.552 12.827 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.574 16.851 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.282 14.116 6.885 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.295 16.128 5.847 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.226 10.368 3.121 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.454 9.094 3.064 1.00 0.00 C ATOM 1431 C PHE A 104 -6.038 8.173 1.992 1.00 0.00 C ATOM 1432 O PHE A 104 -7.121 8.399 1.488 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.607 8.468 4.452 1.00 0.00 C ATOM 1434 CG PHE A 104 -7.048 8.561 4.896 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -8.028 7.782 4.270 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -7.403 9.428 5.938 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -9.363 7.869 4.684 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -8.737 9.515 6.352 1.00 0.00 C ATOM 1439 CZ PHE A 104 -9.717 8.736 5.726 1.00 0.00 C ATOM 0 H PHE A 104 -6.603 10.608 4.038 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.407 9.258 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.290 7.425 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.962 8.981 5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.754 7.113 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.647 10.029 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.119 7.268 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.010 10.184 7.155 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.746 8.803 6.046 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.331 7.138 1.634 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.851 6.208 0.589 1.00 0.00 C ATOM 1451 C LEU A 105 -5.950 4.784 1.163 1.00 0.00 C ATOM 1452 O LEU A 105 -5.505 4.528 2.262 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.829 6.324 -0.563 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.850 5.143 -0.572 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.327 4.096 -1.581 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.463 5.642 -0.979 1.00 0.00 C ATOM 0 H LEU A 105 -4.418 6.895 2.018 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.855 6.449 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.357 6.366 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.274 7.257 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.804 4.698 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.633 3.256 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.319 3.744 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.369 4.541 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.763 4.806 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.513 6.083 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.123 6.393 -0.266 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.541 3.859 0.450 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.660 2.472 1.000 1.00 0.00 C ATOM 1470 C TYR A 106 -6.013 1.441 0.063 1.00 0.00 C ATOM 1471 O TYR A 106 -6.335 1.365 -1.107 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.164 2.223 1.112 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.587 2.350 2.557 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.249 3.496 3.287 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.316 1.322 3.165 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.641 3.613 4.625 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -9.709 1.440 4.504 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.372 2.585 5.233 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.758 2.700 6.553 1.00 0.00 O ATOM 0 H TYR A 106 -6.942 4.000 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.148 2.374 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.709 2.939 0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.408 1.230 0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.686 4.289 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.576 0.438 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.380 4.496 5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.272 0.647 4.974 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.258 1.900 6.818 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.111 0.636 0.573 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.455 -0.398 -0.286 1.00 0.00 C ATOM 1491 C ILE A 107 -4.318 -1.719 0.480 1.00 0.00 C ATOM 1492 O ILE A 107 -3.932 -1.741 1.632 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.070 0.161 -0.609 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.202 1.593 -1.120 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.410 -0.703 -1.685 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.862 2.056 -1.697 1.00 0.00 C ATOM 0 H ILE A 107 -4.802 0.651 1.545 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.036 -0.602 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.458 0.153 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.977 1.647 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.508 2.253 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.422 -0.305 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.313 -1.726 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.024 -0.695 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.957 3.079 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.098 2.017 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.575 1.402 -2.521 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.619 -2.822 -0.152 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.489 -4.134 0.547 1.00 0.00 C ATOM 1510 C ALA A 108 -3.710 -5.111 -0.331 1.00 0.00 C ATOM 1511 O ALA A 108 -3.407 -4.818 -1.466 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.924 -4.620 0.755 1.00 0.00 C ATOM 0 H ALA A 108 -4.947 -2.872 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.952 -4.052 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.912 -5.583 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.469 -3.896 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.415 -4.728 -0.212 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.379 -6.269 0.173 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.627 -7.238 -0.675 1.00 0.00 C ATOM 1520 C TYR A 109 -2.934 -8.677 -0.279 1.00 0.00 C ATOM 1521 O TYR A 109 -3.488 -8.951 0.769 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.141 -6.934 -0.474 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.834 -6.638 0.977 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.254 -5.433 1.549 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.105 -7.559 1.744 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.948 -5.149 2.883 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.198 -7.273 3.078 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.223 -6.069 3.648 1.00 0.00 C ATOM 1529 OH TYR A 109 0.078 -5.785 4.962 1.00 0.00 O ATOM 0 H TYR A 109 -3.592 -6.583 1.120 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.916 -7.134 -1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.545 -7.783 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.855 -6.081 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.815 -4.722 0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.222 -8.489 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.272 -4.218 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.758 -7.983 3.669 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.738 -5.517 5.434 1.00 0.00 H new ATOM 1539 N SER A 110 -2.574 -9.599 -1.126 1.00 0.00 N ATOM 1540 CA SER A 110 -2.836 -11.037 -0.829 1.00 0.00 C ATOM 1541 C SER A 110 -1.771 -11.916 -1.492 1.00 0.00 C ATOM 1542 O SER A 110 -0.859 -11.426 -2.126 1.00 0.00 O ATOM 1543 CB SER A 110 -4.211 -11.320 -1.430 1.00 0.00 C ATOM 1544 OG SER A 110 -4.858 -12.330 -0.668 1.00 0.00 O ATOM 0 H SER A 110 -2.108 -9.419 -2.015 1.00 0.00 H new ATOM 0 HA SER A 110 -2.805 -11.251 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.812 -10.411 -1.435 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.108 -11.640 -2.467 1.00 0.00 H new ATOM 0 HG SER A 110 -5.742 -12.513 -1.050 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.882 -13.210 -1.353 1.00 0.00 N ATOM 1551 CA ASP A 111 -0.876 -14.118 -1.979 1.00 0.00 C ATOM 1552 C ASP A 111 -1.582 -15.195 -2.808 1.00 0.00 C ATOM 1553 O ASP A 111 -1.094 -16.298 -2.953 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.126 -14.752 -0.808 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.119 -15.465 0.111 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -1.860 -14.779 0.797 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -1.123 -16.685 0.113 1.00 0.00 O ATOM 0 H ASP A 111 -2.625 -13.678 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.203 -13.586 -2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.615 -15.460 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.415 -13.986 -0.252 1.00 0.00 H new ATOM 1562 N GLU A 112 -2.727 -14.885 -3.350 1.00 0.00 N ATOM 1563 CA GLU A 112 -3.461 -15.894 -4.166 1.00 0.00 C ATOM 1564 C GLU A 112 -4.260 -15.203 -5.273 1.00 0.00 C ATOM 1565 O GLU A 112 -4.739 -14.098 -5.111 1.00 0.00 O ATOM 1566 CB GLU A 112 -4.401 -16.590 -3.181 1.00 0.00 C ATOM 1567 CG GLU A 112 -3.927 -18.025 -2.950 1.00 0.00 C ATOM 1568 CD GLU A 112 -4.748 -18.659 -1.824 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -4.875 -18.032 -0.786 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -5.234 -19.760 -2.021 1.00 0.00 O ATOM 0 H GLU A 112 -3.186 -13.978 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.787 -16.598 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.422 -16.046 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.419 -16.590 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.035 -18.607 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.868 -18.032 -2.691 1.00 0.00 H new ATOM 1577 N SER A 113 -4.407 -15.847 -6.399 1.00 0.00 N ATOM 1578 CA SER A 113 -5.174 -15.229 -7.518 1.00 0.00 C ATOM 1579 C SER A 113 -6.180 -16.234 -8.087 1.00 0.00 C ATOM 1580 O SER A 113 -6.658 -16.090 -9.194 1.00 0.00 O ATOM 1581 CB SER A 113 -4.124 -14.869 -8.566 1.00 0.00 C ATOM 1582 OG SER A 113 -3.610 -16.061 -9.145 1.00 0.00 O ATOM 0 H SER A 113 -4.029 -16.774 -6.592 1.00 0.00 H new ATOM 0 HA SER A 113 -5.744 -14.357 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.565 -14.237 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.318 -14.297 -8.108 1.00 0.00 H new ATOM 0 HG SER A 113 -2.937 -15.833 -9.820 1.00 0.00 H new ATOM 1588 N VAL A 114 -6.504 -17.251 -7.337 1.00 0.00 N ATOM 1589 CA VAL A 114 -7.478 -18.265 -7.835 1.00 0.00 C ATOM 1590 C VAL A 114 -8.832 -18.081 -7.143 1.00 0.00 C ATOM 1591 O VAL A 114 -8.968 -17.301 -6.222 1.00 0.00 O ATOM 1592 CB VAL A 114 -6.866 -19.616 -7.467 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -6.984 -19.835 -5.956 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -7.615 -20.731 -8.201 1.00 0.00 C ATOM 0 H VAL A 114 -6.137 -17.424 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.655 -18.177 -8.907 1.00 0.00 H new ATOM 0 HB VAL A 114 -5.815 -19.630 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -6.548 -20.799 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -6.454 -19.041 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -8.035 -19.822 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -7.179 -21.695 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -8.665 -20.716 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.534 -20.576 -9.277 1.00 0.00 H new ATOM 1604 N TYR A 115 -9.835 -18.793 -7.581 1.00 0.00 N ATOM 1605 CA TYR A 115 -11.178 -18.657 -6.948 1.00 0.00 C ATOM 1606 C TYR A 115 -11.254 -19.515 -5.682 1.00 0.00 C ATOM 1607 O TYR A 115 -10.327 -20.223 -5.345 1.00 0.00 O ATOM 1608 CB TYR A 115 -12.165 -19.164 -8.001 1.00 0.00 C ATOM 1609 CG TYR A 115 -13.437 -18.354 -7.930 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -13.488 -17.079 -8.509 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -14.566 -18.876 -7.288 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -14.668 -16.328 -8.445 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -15.745 -18.125 -7.224 1.00 0.00 C ATOM 1614 CZ TYR A 115 -15.796 -16.852 -7.802 1.00 0.00 C ATOM 1615 OH TYR A 115 -16.959 -16.111 -7.739 1.00 0.00 O ATOM 0 H TYR A 115 -9.783 -19.462 -8.349 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.393 -17.631 -6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.725 -19.084 -8.995 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -12.383 -20.219 -7.833 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -12.617 -16.676 -9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -14.527 -19.859 -6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -14.708 -15.345 -8.891 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -16.616 -18.528 -6.728 1.00 0.00 H new ATOM 0 HH TYR A 115 -17.646 -16.620 -7.260 1.00 0.00 H new ATOM 1625 N GLY A 116 -12.353 -19.457 -4.980 1.00 0.00 N ATOM 1626 CA GLY A 116 -12.486 -20.269 -3.738 1.00 0.00 C ATOM 1627 C GLY A 116 -11.210 -20.141 -2.903 1.00 0.00 C ATOM 1628 O GLY A 116 -10.621 -19.083 -2.811 1.00 0.00 O ATOM 0 H GLY A 116 -13.163 -18.883 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -13.346 -19.931 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -12.664 -21.314 -3.992 1.00 0.00 H new ATOM 1632 N LEU A 117 -10.778 -21.212 -2.297 1.00 0.00 N ATOM 1633 CA LEU A 117 -9.538 -21.151 -1.469 1.00 0.00 C ATOM 1634 C LEU A 117 -8.345 -21.692 -2.264 1.00 0.00 C ATOM 1635 O LEU A 117 -8.547 -22.087 -3.401 1.00 0.00 O ATOM 1636 CB LEU A 117 -9.824 -22.042 -0.260 1.00 0.00 C ATOM 1637 CG LEU A 117 -9.931 -23.499 -0.712 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -8.603 -24.214 -0.454 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -11.045 -24.194 0.074 1.00 0.00 C ATOM 1640 OXT LEU A 117 -7.252 -21.699 -1.722 1.00 0.00 O ATOM 0 H LEU A 117 -11.228 -22.126 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 117 -9.288 -20.132 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -9.029 -21.937 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.751 -21.731 0.223 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.160 -23.533 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.680 -25.252 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.809 -23.719 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.373 -24.181 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -11.123 -25.233 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.815 -24.159 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.992 -23.686 -0.110 1.00 0.00 H new TER 1652 LEU A 117