USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1110 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 728 SER OG : rot 180:sc= 0.142 USER MOD Set 1.2: B 729 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0244) USER MOD Single : A 4 GLN : amide:sc= -0.0616 X(o=-0.062,f=-0.34) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc=-0.00857 X(o=-0.0086,f=-0.23) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -131:sc= 0.0838 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 2.45 (180deg=2.03) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0707) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0.19 (180deg=0.129) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00399) 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+ 179:sc= 0 (180deg=-0.00153) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -1.35 (180deg=-2.29) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -26:sc= 1.28 USER MOD Single : A 53 SER OG : rot 180:sc= -0.434 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 59 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00678) USER MOD Single : A 69 HIS : no HD1:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 88 SER OG : rot -42:sc= 0.00116 USER MOD Single : A 90 THR OG1 : rot 180:sc= 2e-05 USER MOD Single : A 91 MET CE :methyl -177:sc= -1.21 (180deg=-1.29) USER MOD Single : A 93 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0023) USER MOD Single : A 95 TYR OH : rot 116:sc= 0.0237 USER MOD Single : A 98 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.8) USER MOD Single : A 99 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.4) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc=-0.000495 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl -172:sc= -0.265 (180deg=-0.316) USER MOD Single : B 726 SER OG : rot -104:sc= 0.127 USER MOD Single : B 732 TYR OH : rot 151:sc= 1.78 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 8.999 23.723 -8.243 1.00 0.00 N ATOM 2 CA GLY A -3 8.013 22.890 -8.941 1.00 0.00 C ATOM 3 C GLY A -3 6.630 23.499 -8.823 1.00 0.00 C ATOM 4 O GLY A -3 6.495 24.709 -8.634 1.00 0.00 O ATOM 0 H1 GLY A -3 9.814 23.893 -8.867 1.00 0.00 H new ATOM 0 H2 GLY A -3 8.565 24.632 -7.985 1.00 0.00 H new ATOM 0 H3 GLY A -3 9.318 23.235 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A -3 8.287 22.794 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A -3 8.012 21.885 -8.519 1.00 0.00 H new ATOM 8 N SER A -2 5.598 22.666 -8.935 1.00 0.00 N ATOM 9 CA SER A -2 4.198 23.062 -8.855 1.00 0.00 C ATOM 10 C SER A -2 3.432 22.077 -7.958 1.00 0.00 C ATOM 11 O SER A -2 3.897 20.947 -7.775 1.00 0.00 O ATOM 12 CB SER A -2 3.631 23.072 -10.283 1.00 0.00 C ATOM 13 OG SER A -2 4.265 24.068 -11.062 1.00 0.00 O ATOM 0 H SER A -2 5.719 21.665 -9.089 1.00 0.00 H new ATOM 0 HA SER A -2 4.096 24.055 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A -2 3.775 22.095 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A -2 2.557 23.255 -10.253 1.00 0.00 H new ATOM 0 HG SER A -2 3.893 24.060 -11.969 1.00 0.00 H new ATOM 19 N PRO A -1 2.267 22.466 -7.410 1.00 0.00 N ATOM 20 CA PRO A -1 1.460 21.606 -6.557 1.00 0.00 C ATOM 21 C PRO A -1 0.787 20.529 -7.412 1.00 0.00 C ATOM 22 O PRO A -1 -0.226 20.795 -8.066 1.00 0.00 O ATOM 23 CB PRO A -1 0.449 22.538 -5.884 1.00 0.00 C ATOM 24 CG PRO A -1 0.266 23.676 -6.887 1.00 0.00 C ATOM 25 CD PRO A -1 1.640 23.777 -7.548 1.00 0.00 C ATOM 0 HA PRO A -1 2.043 21.076 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -0.493 22.027 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A -1 0.821 22.906 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -0.516 23.452 -7.613 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -0.014 24.607 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A -1 1.545 24.052 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A -1 2.244 24.548 -7.070 1.00 0.00 H new ATOM 33 N GLU A 0 1.370 19.337 -7.479 1.00 0.00 N ATOM 34 CA GLU A 0 0.847 18.207 -8.234 1.00 0.00 C ATOM 35 C GLU A 0 1.226 16.958 -7.431 1.00 0.00 C ATOM 36 O GLU A 0 2.047 16.149 -7.859 1.00 0.00 O ATOM 37 CB GLU A 0 1.404 18.239 -9.672 1.00 0.00 C ATOM 38 CG GLU A 0 0.809 17.185 -10.625 1.00 0.00 C ATOM 39 CD GLU A 0 -0.669 17.378 -10.989 1.00 0.00 C ATOM 40 OE1 GLU A 0 -1.200 18.512 -10.851 1.00 0.00 O ATOM 41 OE2 GLU A 0 -1.276 16.401 -11.480 1.00 0.00 O ATOM 0 H GLU A 0 2.243 19.126 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 0 -0.236 18.227 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 0 1.226 19.229 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 0 2.484 18.100 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 0 1.394 17.182 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 0 0.927 16.202 -10.169 1.00 0.00 H new ATOM 48 N PHE A 1 0.681 16.836 -6.218 1.00 0.00 N ATOM 49 CA PHE A 1 0.905 15.723 -5.293 1.00 0.00 C ATOM 50 C PHE A 1 -0.456 15.298 -4.754 1.00 0.00 C ATOM 51 O PHE A 1 -1.358 16.132 -4.660 1.00 0.00 O ATOM 52 CB PHE A 1 1.874 16.137 -4.177 1.00 0.00 C ATOM 53 CG PHE A 1 3.254 16.483 -4.705 1.00 0.00 C ATOM 54 CD1 PHE A 1 4.185 15.462 -4.966 1.00 0.00 C ATOM 55 CD2 PHE A 1 3.570 17.813 -5.039 1.00 0.00 C ATOM 56 CE1 PHE A 1 5.415 15.762 -5.577 1.00 0.00 C ATOM 57 CE2 PHE A 1 4.796 18.113 -5.656 1.00 0.00 C ATOM 58 CZ PHE A 1 5.712 17.086 -5.942 1.00 0.00 C ATOM 0 H PHE A 1 0.046 17.538 -5.839 1.00 0.00 H new ATOM 0 HA PHE A 1 1.372 14.878 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 1 1.466 16.997 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 1 1.958 15.326 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 1 3.954 14.442 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 1 2.869 18.605 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 1 6.131 14.976 -5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.035 19.135 -5.911 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.642 17.314 -6.441 1.00 0.00 H new ATOM 68 N LYS A 2 -0.647 14.018 -4.434 1.00 0.00 N ATOM 69 CA LYS A 2 -1.917 13.500 -3.939 1.00 0.00 C ATOM 70 C LYS A 2 -1.657 12.652 -2.700 1.00 0.00 C ATOM 71 O LYS A 2 -1.437 11.451 -2.818 1.00 0.00 O ATOM 72 CB LYS A 2 -2.654 12.675 -5.027 1.00 0.00 C ATOM 73 CG LYS A 2 -3.071 13.372 -6.338 1.00 0.00 C ATOM 74 CD LYS A 2 -1.896 13.760 -7.253 1.00 0.00 C ATOM 75 CE LYS A 2 -2.247 13.890 -8.733 1.00 0.00 C ATOM 76 NZ LYS A 2 -2.541 12.592 -9.367 1.00 0.00 N ATOM 0 H LYS A 2 0.082 13.309 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.564 14.337 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.015 11.833 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.555 12.262 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.742 12.712 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.637 14.271 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.484 14.708 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.109 13.013 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.111 14.546 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.419 14.366 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.639 12.722 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.764 11.928 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.427 12.210 -8.980 1.00 0.00 H new ATOM 90 N PHE A 3 -1.666 13.260 -1.515 1.00 0.00 N ATOM 91 CA PHE A 3 -1.463 12.535 -0.259 1.00 0.00 C ATOM 92 C PHE A 3 -2.748 11.782 0.134 1.00 0.00 C ATOM 93 O PHE A 3 -3.807 11.959 -0.487 1.00 0.00 O ATOM 94 CB PHE A 3 -0.963 13.482 0.845 1.00 0.00 C ATOM 95 CG PHE A 3 0.504 13.867 0.737 1.00 0.00 C ATOM 96 CD1 PHE A 3 1.490 12.865 0.645 1.00 0.00 C ATOM 97 CD2 PHE A 3 0.904 15.217 0.798 1.00 0.00 C ATOM 98 CE1 PHE A 3 2.850 13.211 0.605 1.00 0.00 C ATOM 99 CE2 PHE A 3 2.269 15.558 0.769 1.00 0.00 C ATOM 100 CZ PHE A 3 3.245 14.555 0.676 1.00 0.00 C ATOM 0 H PHE A 3 -1.813 14.262 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.683 11.786 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.565 14.390 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.130 13.010 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.198 11.826 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.158 15.995 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.598 12.436 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.566 16.595 0.819 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.293 14.816 0.659 1.00 0.00 H new ATOM 110 N GLN A 4 -2.672 10.983 1.207 1.00 0.00 N ATOM 111 CA GLN A 4 -3.763 10.158 1.730 1.00 0.00 C ATOM 112 C GLN A 4 -5.020 10.962 2.024 1.00 0.00 C ATOM 113 O GLN A 4 -6.113 10.494 1.710 1.00 0.00 O ATOM 114 CB GLN A 4 -3.306 9.352 2.959 1.00 0.00 C ATOM 115 CG GLN A 4 -2.906 10.165 4.205 1.00 0.00 C ATOM 116 CD GLN A 4 -2.475 9.249 5.354 1.00 0.00 C ATOM 117 OE1 GLN A 4 -3.088 8.218 5.607 1.00 0.00 O ATOM 118 NE2 GLN A 4 -1.416 9.589 6.077 1.00 0.00 N ATOM 0 H GLN A 4 -1.815 10.892 1.753 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.030 9.453 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.110 8.672 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.456 8.736 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.091 10.843 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.746 10.781 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.908 10.447 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.110 8.992 6.845 1.00 0.00 H new ATOM 127 N TYR A 5 -4.887 12.205 2.480 1.00 0.00 N ATOM 128 CA TYR A 5 -6.000 13.096 2.789 1.00 0.00 C ATOM 129 C TYR A 5 -6.993 13.205 1.626 1.00 0.00 C ATOM 130 O TYR A 5 -8.192 13.394 1.838 1.00 0.00 O ATOM 131 CB TYR A 5 -5.423 14.477 3.094 1.00 0.00 C ATOM 132 CG TYR A 5 -4.415 14.482 4.217 1.00 0.00 C ATOM 133 CD1 TYR A 5 -4.848 14.287 5.541 1.00 0.00 C ATOM 134 CD2 TYR A 5 -3.046 14.656 3.939 1.00 0.00 C ATOM 135 CE1 TYR A 5 -3.917 14.266 6.589 1.00 0.00 C ATOM 136 CE2 TYR A 5 -2.110 14.637 4.983 1.00 0.00 C ATOM 137 CZ TYR A 5 -2.543 14.444 6.312 1.00 0.00 C ATOM 138 OH TYR A 5 -1.633 14.434 7.317 1.00 0.00 O ATOM 0 H TYR A 5 -3.976 12.631 2.649 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.546 12.693 3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.951 14.870 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.239 15.153 3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.899 14.153 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.716 14.804 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.249 14.114 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.060 14.770 4.770 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.736 14.569 6.947 1.00 0.00 H new ATOM 148 N LYS A 6 -6.517 13.092 0.382 1.00 0.00 N ATOM 149 CA LYS A 6 -7.370 13.188 -0.793 1.00 0.00 C ATOM 150 C LYS A 6 -8.299 11.983 -0.936 1.00 0.00 C ATOM 151 O LYS A 6 -9.371 12.122 -1.526 1.00 0.00 O ATOM 152 CB LYS A 6 -6.477 13.364 -2.029 1.00 0.00 C ATOM 153 CG LYS A 6 -7.234 14.079 -3.151 1.00 0.00 C ATOM 154 CD LYS A 6 -6.304 14.358 -4.332 1.00 0.00 C ATOM 155 CE LYS A 6 -6.983 15.346 -5.279 1.00 0.00 C ATOM 156 NZ LYS A 6 -6.117 15.692 -6.416 1.00 0.00 N ATOM 0 H LYS A 6 -5.533 12.932 0.168 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.025 14.053 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.588 13.936 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.136 12.389 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.074 13.466 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.649 15.015 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.358 14.767 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.074 13.431 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.914 14.915 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.246 16.252 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.611 16.364 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.240 16.126 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.887 14.831 -6.952 1.00 0.00 H new ATOM 170 N GLU A 7 -7.892 10.798 -0.481 1.00 0.00 N ATOM 171 CA GLU A 7 -8.686 9.570 -0.563 1.00 0.00 C ATOM 172 C GLU A 7 -9.321 9.181 0.772 1.00 0.00 C ATOM 173 O GLU A 7 -10.304 8.444 0.763 1.00 0.00 O ATOM 174 CB GLU A 7 -7.938 8.462 -1.316 1.00 0.00 C ATOM 175 CG GLU A 7 -6.473 8.167 -0.953 1.00 0.00 C ATOM 176 CD GLU A 7 -6.248 6.993 -0.010 1.00 0.00 C ATOM 177 OE1 GLU A 7 -7.008 5.998 -0.103 1.00 0.00 O ATOM 178 OE2 GLU A 7 -5.198 7.023 0.667 1.00 0.00 O ATOM 0 H GLU A 7 -6.984 10.661 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.559 9.766 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.501 7.538 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.970 8.707 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.921 7.980 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.044 9.060 -0.500 1.00 0.00 H new ATOM 185 N ASP A 8 -8.831 9.741 1.880 1.00 0.00 N ATOM 186 CA ASP A 8 -9.329 9.541 3.245 1.00 0.00 C ATOM 187 C ASP A 8 -10.578 10.404 3.451 1.00 0.00 C ATOM 188 O ASP A 8 -11.517 9.989 4.130 1.00 0.00 O ATOM 189 CB ASP A 8 -8.254 9.986 4.252 1.00 0.00 C ATOM 190 CG ASP A 8 -8.810 10.253 5.660 1.00 0.00 C ATOM 191 OD1 ASP A 8 -9.319 11.383 5.885 1.00 0.00 O ATOM 192 OD2 ASP A 8 -8.699 9.362 6.528 1.00 0.00 O ATOM 0 H ASP A 8 -8.036 10.379 1.849 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.566 8.488 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.484 9.217 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.772 10.891 3.882 1.00 0.00 H new ATOM 197 N HIS A 9 -10.627 11.570 2.789 1.00 0.00 N ATOM 198 CA HIS A 9 -11.721 12.529 2.880 1.00 0.00 C ATOM 199 C HIS A 9 -13.083 11.885 2.594 1.00 0.00 C ATOM 200 O HIS A 9 -13.940 11.988 3.473 1.00 0.00 O ATOM 201 CB HIS A 9 -11.446 13.729 1.962 1.00 0.00 C ATOM 202 CG HIS A 9 -12.625 14.653 1.814 1.00 0.00 C ATOM 203 ND1 HIS A 9 -13.465 15.048 2.829 1.00 0.00 N ATOM 204 CD2 HIS A 9 -13.082 15.207 0.649 1.00 0.00 C ATOM 205 CE1 HIS A 9 -14.419 15.820 2.291 1.00 0.00 C ATOM 206 NE2 HIS A 9 -14.225 15.950 0.964 1.00 0.00 N ATOM 0 H HIS A 9 -9.883 11.873 2.161 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.771 12.889 3.908 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.600 14.292 2.357 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.154 13.364 0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.642 15.092 -0.331 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.229 16.274 2.843 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.800 16.486 0.315 1.00 0.00 H new ATOM 214 N PRO A 10 -13.320 11.228 1.441 1.00 0.00 N ATOM 215 CA PRO A 10 -14.592 10.578 1.149 1.00 0.00 C ATOM 216 C PRO A 10 -14.683 9.284 1.986 1.00 0.00 C ATOM 217 O PRO A 10 -14.691 8.181 1.436 1.00 0.00 O ATOM 218 CB PRO A 10 -14.541 10.338 -0.369 1.00 0.00 C ATOM 219 CG PRO A 10 -13.068 10.045 -0.618 1.00 0.00 C ATOM 220 CD PRO A 10 -12.408 11.048 0.316 1.00 0.00 C ATOM 0 HA PRO A 10 -15.481 11.154 1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.175 9.503 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.879 11.211 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.805 9.017 -0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.787 10.204 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.439 10.682 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.230 11.995 -0.194 1.00 0.00 H new ATOM 228 N PHE A 11 -14.781 9.398 3.315 1.00 0.00 N ATOM 229 CA PHE A 11 -14.843 8.260 4.220 1.00 0.00 C ATOM 230 C PHE A 11 -16.019 7.340 3.902 1.00 0.00 C ATOM 231 O PHE A 11 -15.891 6.127 4.064 1.00 0.00 O ATOM 232 CB PHE A 11 -14.816 8.685 5.692 1.00 0.00 C ATOM 233 CG PHE A 11 -14.313 7.568 6.593 1.00 0.00 C ATOM 234 CD1 PHE A 11 -12.931 7.428 6.830 1.00 0.00 C ATOM 235 CD2 PHE A 11 -15.208 6.626 7.138 1.00 0.00 C ATOM 236 CE1 PHE A 11 -12.449 6.359 7.605 1.00 0.00 C ATOM 237 CE2 PHE A 11 -14.724 5.563 7.925 1.00 0.00 C ATOM 238 CZ PHE A 11 -13.344 5.424 8.152 1.00 0.00 C ATOM 0 H PHE A 11 -14.820 10.299 3.792 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.937 7.677 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.176 9.560 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.818 8.980 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.239 8.145 6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.268 6.719 6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.388 6.256 7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.415 4.853 8.355 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.973 4.601 8.745 1.00 0.00 H new ATOM 248 N GLU A 12 -17.150 7.875 3.419 1.00 0.00 N ATOM 249 CA GLU A 12 -18.284 7.020 3.079 1.00 0.00 C ATOM 250 C GLU A 12 -17.859 6.041 1.977 1.00 0.00 C ATOM 251 O GLU A 12 -18.273 4.885 1.978 1.00 0.00 O ATOM 252 CB GLU A 12 -19.525 7.836 2.664 1.00 0.00 C ATOM 253 CG GLU A 12 -19.429 8.511 1.287 1.00 0.00 C ATOM 254 CD GLU A 12 -20.732 9.163 0.843 1.00 0.00 C ATOM 255 OE1 GLU A 12 -21.537 8.470 0.173 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.935 10.377 1.070 1.00 0.00 O ATOM 0 H GLU A 12 -17.298 8.872 3.260 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.577 6.459 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.393 7.176 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.704 8.604 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.644 9.267 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.131 7.769 0.546 1.00 0.00 H new ATOM 263 N TYR A 13 -17.041 6.508 1.026 1.00 0.00 N ATOM 264 CA TYR A 13 -16.555 5.698 -0.069 1.00 0.00 C ATOM 265 C TYR A 13 -15.518 4.737 0.467 1.00 0.00 C ATOM 266 O TYR A 13 -15.611 3.560 0.148 1.00 0.00 O ATOM 267 CB TYR A 13 -15.973 6.539 -1.210 1.00 0.00 C ATOM 268 CG TYR A 13 -17.030 7.258 -2.020 1.00 0.00 C ATOM 269 CD1 TYR A 13 -17.627 8.438 -1.540 1.00 0.00 C ATOM 270 CD2 TYR A 13 -17.447 6.713 -3.245 1.00 0.00 C ATOM 271 CE1 TYR A 13 -18.676 9.045 -2.249 1.00 0.00 C ATOM 272 CE2 TYR A 13 -18.467 7.336 -3.978 1.00 0.00 C ATOM 273 CZ TYR A 13 -19.104 8.494 -3.474 1.00 0.00 C ATOM 274 OH TYR A 13 -20.126 9.078 -4.150 1.00 0.00 O ATOM 0 H TYR A 13 -16.702 7.470 1.006 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.397 5.151 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.281 7.272 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.395 5.893 -1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.276 8.880 -0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.982 5.814 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -19.153 9.931 -1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.768 6.930 -4.932 1.00 0.00 H new ATOM 0 HH TYR A 13 -20.300 8.579 -4.975 1.00 0.00 H new ATOM 284 N ARG A 14 -14.559 5.199 1.283 1.00 0.00 N ATOM 285 CA ARG A 14 -13.531 4.318 1.834 1.00 0.00 C ATOM 286 C ARG A 14 -14.172 3.154 2.579 1.00 0.00 C ATOM 287 O ARG A 14 -13.829 2.006 2.309 1.00 0.00 O ATOM 288 CB ARG A 14 -12.648 5.122 2.816 1.00 0.00 C ATOM 289 CG ARG A 14 -11.430 5.788 2.164 1.00 0.00 C ATOM 290 CD ARG A 14 -10.205 4.861 2.225 1.00 0.00 C ATOM 291 NE ARG A 14 -9.428 4.860 0.980 1.00 0.00 N ATOM 292 CZ ARG A 14 -9.684 4.092 -0.081 1.00 0.00 C ATOM 293 NH1 ARG A 14 -10.608 3.131 -0.049 1.00 0.00 N ATOM 294 NH2 ARG A 14 -9.005 4.344 -1.189 1.00 0.00 N ATOM 0 H ARG A 14 -14.478 6.174 1.572 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.926 3.926 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -13.258 5.891 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.304 4.456 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.656 6.033 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.207 6.727 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.562 5.171 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.535 3.845 2.443 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.632 5.495 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.143 2.966 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.780 2.561 -0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.320 5.099 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.167 3.783 -2.025 1.00 0.00 H new ATOM 308 N LYS A 15 -15.211 3.406 3.375 1.00 0.00 N ATOM 309 CA LYS A 15 -15.859 2.347 4.134 1.00 0.00 C ATOM 310 C LYS A 15 -16.676 1.440 3.224 1.00 0.00 C ATOM 311 O LYS A 15 -16.571 0.221 3.335 1.00 0.00 O ATOM 312 CB LYS A 15 -16.659 2.962 5.290 1.00 0.00 C ATOM 313 CG LYS A 15 -16.737 2.037 6.517 1.00 0.00 C ATOM 314 CD LYS A 15 -17.918 1.061 6.497 1.00 0.00 C ATOM 315 CE LYS A 15 -18.081 0.408 7.878 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.136 -0.708 8.099 1.00 0.00 N ATOM 0 H LYS A 15 -15.618 4.332 3.508 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.109 1.695 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.201 3.907 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.668 3.190 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.811 1.467 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.803 2.650 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.832 1.588 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.754 0.294 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.933 1.162 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.102 0.040 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.057 -0.899 9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.484 -1.559 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.202 -0.452 7.721 1.00 0.00 H new ATOM 330 N LYS A 16 -17.498 1.991 2.327 1.00 0.00 N ATOM 331 CA LYS A 16 -18.327 1.199 1.419 1.00 0.00 C ATOM 332 C LYS A 16 -17.482 0.348 0.475 1.00 0.00 C ATOM 333 O LYS A 16 -17.802 -0.829 0.277 1.00 0.00 O ATOM 334 CB LYS A 16 -19.243 2.124 0.594 1.00 0.00 C ATOM 335 CG LYS A 16 -20.375 2.736 1.435 1.00 0.00 C ATOM 336 CD LYS A 16 -21.560 1.770 1.584 1.00 0.00 C ATOM 337 CE LYS A 16 -22.674 2.401 2.428 1.00 0.00 C ATOM 338 NZ LYS A 16 -23.312 3.555 1.753 1.00 0.00 N ATOM 0 H LYS A 16 -17.606 2.999 2.211 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.931 0.529 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.646 2.925 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.674 1.559 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.994 2.999 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.716 3.660 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.948 1.508 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.224 0.844 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.431 1.648 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.262 2.725 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -24.152 3.850 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.637 4.345 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.595 3.281 0.790 1.00 0.00 H new ATOM 352 N GLU A 17 -16.489 0.943 -0.172 1.00 0.00 N ATOM 353 CA GLU A 17 -15.580 0.295 -1.097 1.00 0.00 C ATOM 354 C GLU A 17 -14.785 -0.781 -0.362 1.00 0.00 C ATOM 355 O GLU A 17 -14.789 -1.930 -0.783 1.00 0.00 O ATOM 356 CB GLU A 17 -14.694 1.359 -1.756 1.00 0.00 C ATOM 357 CG GLU A 17 -13.741 0.790 -2.804 1.00 0.00 C ATOM 358 CD GLU A 17 -12.292 0.840 -2.325 1.00 0.00 C ATOM 359 OE1 GLU A 17 -11.699 1.947 -2.321 1.00 0.00 O ATOM 360 OE2 GLU A 17 -11.744 -0.217 -1.952 1.00 0.00 O ATOM 0 H GLU A 17 -16.289 1.937 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.125 -0.209 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.329 2.111 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.114 1.866 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.017 -0.241 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.839 1.354 -3.731 1.00 0.00 H new ATOM 367 N GLY A 18 -14.217 -0.419 0.798 1.00 0.00 N ATOM 368 CA GLY A 18 -13.435 -1.297 1.645 1.00 0.00 C ATOM 369 C GLY A 18 -14.278 -2.488 2.055 1.00 0.00 C ATOM 370 O GLY A 18 -13.845 -3.626 1.914 1.00 0.00 O ATOM 0 H GLY A 18 -14.299 0.526 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.545 -1.634 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.094 -0.758 2.529 1.00 0.00 H new ATOM 374 N GLU A 19 -15.513 -2.267 2.489 1.00 0.00 N ATOM 375 CA GLU A 19 -16.433 -3.325 2.890 1.00 0.00 C ATOM 376 C GLU A 19 -16.676 -4.268 1.707 1.00 0.00 C ATOM 377 O GLU A 19 -16.715 -5.491 1.883 1.00 0.00 O ATOM 378 CB GLU A 19 -17.739 -2.671 3.358 1.00 0.00 C ATOM 379 CG GLU A 19 -18.913 -3.630 3.594 1.00 0.00 C ATOM 380 CD GLU A 19 -20.210 -2.830 3.691 1.00 0.00 C ATOM 381 OE1 GLU A 19 -20.819 -2.598 2.625 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.587 -2.430 4.822 1.00 0.00 O ATOM 0 H GLU A 19 -15.910 -1.331 2.574 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.016 -3.915 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.542 -2.131 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.041 -1.932 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.978 -4.351 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.754 -4.198 4.510 1.00 0.00 H new ATOM 389 N LYS A 20 -16.843 -3.722 0.496 1.00 0.00 N ATOM 390 CA LYS A 20 -17.104 -4.540 -0.674 1.00 0.00 C ATOM 391 C LYS A 20 -15.890 -5.387 -1.033 1.00 0.00 C ATOM 392 O LYS A 20 -16.078 -6.595 -1.239 1.00 0.00 O ATOM 393 CB LYS A 20 -17.531 -3.626 -1.835 1.00 0.00 C ATOM 394 CG LYS A 20 -18.376 -4.328 -2.905 1.00 0.00 C ATOM 395 CD LYS A 20 -17.567 -5.079 -3.969 1.00 0.00 C ATOM 396 CE LYS A 20 -18.449 -5.591 -5.120 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.246 -4.528 -5.771 1.00 0.00 N ATOM 0 H LYS A 20 -16.801 -2.720 0.311 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.914 -5.237 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.098 -2.786 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.639 -3.213 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.047 -5.033 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.001 -3.585 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.798 -4.419 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.054 -5.921 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.816 -6.069 -5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.123 -6.357 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.891 -4.954 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.799 -4.020 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.609 -3.862 -6.252 1.00 0.00 H new ATOM 411 N ILE A 21 -14.677 -4.820 -1.076 1.00 0.00 N ATOM 412 CA ILE A 21 -13.500 -5.610 -1.425 1.00 0.00 C ATOM 413 C ILE A 21 -13.128 -6.555 -0.280 1.00 0.00 C ATOM 414 O ILE A 21 -12.777 -7.701 -0.547 1.00 0.00 O ATOM 415 CB ILE A 21 -12.332 -4.679 -1.846 1.00 0.00 C ATOM 416 CG1 ILE A 21 -11.128 -5.426 -2.449 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.822 -3.803 -0.691 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.463 -6.328 -3.640 1.00 0.00 C ATOM 0 H ILE A 21 -14.491 -3.837 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.728 -6.239 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.774 -4.049 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.384 -4.694 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.668 -6.033 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.006 -3.173 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.634 -3.174 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.464 -4.440 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.554 -6.812 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.181 -7.088 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.893 -5.728 -4.442 1.00 0.00 H new ATOM 430 N ARG A 22 -13.413 -6.180 0.975 1.00 0.00 N ATOM 431 CA ARG A 22 -13.141 -6.994 2.154 1.00 0.00 C ATOM 432 C ARG A 22 -14.026 -8.215 2.068 1.00 0.00 C ATOM 433 O ARG A 22 -13.568 -9.331 2.248 1.00 0.00 O ATOM 434 CB ARG A 22 -13.399 -6.172 3.436 1.00 0.00 C ATOM 435 CG ARG A 22 -13.290 -6.928 4.771 1.00 0.00 C ATOM 436 CD ARG A 22 -11.957 -7.669 4.911 1.00 0.00 C ATOM 437 NE ARG A 22 -11.414 -7.615 6.281 1.00 0.00 N ATOM 438 CZ ARG A 22 -11.432 -8.583 7.203 1.00 0.00 C ATOM 439 NH1 ARG A 22 -12.179 -9.670 7.027 1.00 0.00 N ATOM 440 NH2 ARG A 22 -10.702 -8.451 8.305 1.00 0.00 N ATOM 0 H ARG A 22 -13.847 -5.284 1.196 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.098 -7.307 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.694 -5.341 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.398 -5.741 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.400 -6.223 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.110 -7.642 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.093 -8.711 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.232 -7.237 4.221 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.974 -6.737 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.744 -9.770 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.187 -10.404 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.133 -7.616 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.710 -9.185 9.013 1.00 0.00 H new ATOM 454 N LYS A 23 -15.300 -8.033 1.738 1.00 0.00 N ATOM 455 CA LYS A 23 -16.208 -9.159 1.629 1.00 0.00 C ATOM 456 C LYS A 23 -15.946 -9.991 0.370 1.00 0.00 C ATOM 457 O LYS A 23 -16.269 -11.180 0.357 1.00 0.00 O ATOM 458 CB LYS A 23 -17.642 -8.638 1.714 1.00 0.00 C ATOM 459 CG LYS A 23 -17.961 -8.192 3.142 1.00 0.00 C ATOM 460 CD LYS A 23 -19.346 -7.538 3.201 1.00 0.00 C ATOM 461 CE LYS A 23 -19.778 -7.191 4.632 1.00 0.00 C ATOM 462 NZ LYS A 23 -20.104 -8.391 5.429 1.00 0.00 N ATOM 0 H LYS A 23 -15.720 -7.124 1.544 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.039 -9.847 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.774 -7.802 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.338 -9.418 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.928 -9.050 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.204 -7.488 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.340 -6.630 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.080 -8.211 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.980 -6.637 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.647 -6.534 4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.422 -8.103 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.861 -8.926 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.259 -8.990 5.516 1.00 0.00 H new ATOM 476 N LYS A 24 -15.386 -9.404 -0.695 1.00 0.00 N ATOM 477 CA LYS A 24 -15.099 -10.150 -1.931 1.00 0.00 C ATOM 478 C LYS A 24 -13.812 -10.977 -1.800 1.00 0.00 C ATOM 479 O LYS A 24 -13.804 -12.143 -2.180 1.00 0.00 O ATOM 480 CB LYS A 24 -15.085 -9.259 -3.185 1.00 0.00 C ATOM 481 CG LYS A 24 -15.339 -10.151 -4.421 1.00 0.00 C ATOM 482 CD LYS A 24 -15.751 -9.340 -5.650 1.00 0.00 C ATOM 483 CE LYS A 24 -16.290 -10.211 -6.797 1.00 0.00 C ATOM 484 NZ LYS A 24 -15.280 -11.094 -7.417 1.00 0.00 N ATOM 0 H LYS A 24 -15.123 -8.419 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.927 -10.845 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.851 -8.487 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.126 -8.748 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.436 -10.717 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.120 -10.875 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.514 -8.617 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.892 -8.771 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.108 -10.824 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.708 -9.561 -7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.723 -11.646 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.509 -10.517 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.897 -11.741 -6.699 1.00 0.00 H new ATOM 498 N TYR A 25 -12.739 -10.391 -1.267 1.00 0.00 N ATOM 499 CA TYR A 25 -11.430 -11.000 -1.045 1.00 0.00 C ATOM 500 C TYR A 25 -10.986 -10.610 0.378 1.00 0.00 C ATOM 501 O TYR A 25 -10.153 -9.716 0.536 1.00 0.00 O ATOM 502 CB TYR A 25 -10.400 -10.540 -2.104 1.00 0.00 C ATOM 503 CG TYR A 25 -10.530 -11.118 -3.504 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.572 -10.694 -4.345 1.00 0.00 C ATOM 505 CD2 TYR A 25 -9.564 -12.014 -4.008 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.695 -11.215 -5.643 1.00 0.00 C ATOM 507 CE2 TYR A 25 -9.666 -12.524 -5.315 1.00 0.00 C ATOM 508 CZ TYR A 25 -10.744 -12.134 -6.139 1.00 0.00 C ATOM 509 OH TYR A 25 -10.895 -12.642 -7.391 1.00 0.00 O ATOM 0 H TYR A 25 -12.764 -9.418 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.495 -12.084 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.458 -9.454 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.404 -10.780 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.283 -9.962 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.736 -12.312 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.523 -10.911 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.922 -13.212 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.158 -13.259 -7.585 1.00 0.00 H new ATOM 519 N PRO A 26 -11.492 -11.255 1.443 1.00 0.00 N ATOM 520 CA PRO A 26 -11.117 -10.922 2.826 1.00 0.00 C ATOM 521 C PRO A 26 -9.662 -11.231 3.136 1.00 0.00 C ATOM 522 O PRO A 26 -9.032 -10.569 3.960 1.00 0.00 O ATOM 523 CB PRO A 26 -12.062 -11.725 3.721 1.00 0.00 C ATOM 524 CG PRO A 26 -12.484 -12.887 2.827 1.00 0.00 C ATOM 525 CD PRO A 26 -12.478 -12.318 1.416 1.00 0.00 C ATOM 0 HA PRO A 26 -11.212 -9.849 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.562 -12.073 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.918 -11.130 4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.794 -13.726 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.473 -13.256 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.215 -13.082 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.461 -11.937 1.140 1.00 0.00 H new ATOM 533 N ASP A 27 -9.128 -12.221 2.435 1.00 0.00 N ATOM 534 CA ASP A 27 -7.765 -12.722 2.511 1.00 0.00 C ATOM 535 C ASP A 27 -6.757 -11.752 1.879 1.00 0.00 C ATOM 536 O ASP A 27 -5.563 -12.025 1.791 1.00 0.00 O ATOM 537 CB ASP A 27 -7.793 -14.044 1.748 1.00 0.00 C ATOM 538 CG ASP A 27 -6.453 -14.760 1.699 1.00 0.00 C ATOM 539 OD1 ASP A 27 -5.898 -15.064 2.774 1.00 0.00 O ATOM 540 OD2 ASP A 27 -6.027 -15.117 0.578 1.00 0.00 O ATOM 0 H ASP A 27 -9.679 -12.733 1.746 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.444 -12.841 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.528 -14.703 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.130 -13.856 0.729 1.00 0.00 H new ATOM 545 N ARG A 28 -7.241 -10.626 1.352 1.00 0.00 N ATOM 546 CA ARG A 28 -6.463 -9.589 0.701 1.00 0.00 C ATOM 547 C ARG A 28 -6.656 -8.291 1.460 1.00 0.00 C ATOM 548 O ARG A 28 -7.645 -8.127 2.179 1.00 0.00 O ATOM 549 CB ARG A 28 -6.913 -9.439 -0.757 1.00 0.00 C ATOM 550 CG ARG A 28 -6.351 -10.503 -1.704 1.00 0.00 C ATOM 551 CD ARG A 28 -6.599 -11.978 -1.393 1.00 0.00 C ATOM 552 NE ARG A 28 -6.229 -12.925 -2.464 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.218 -12.900 -3.347 1.00 0.00 C ATOM 554 NH1 ARG A 28 -4.617 -11.777 -3.733 1.00 0.00 N ATOM 555 NH2 ARG A 28 -4.802 -14.047 -3.854 1.00 0.00 N ATOM 0 H ARG A 28 -8.237 -10.409 1.373 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.406 -9.853 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.002 -9.475 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.614 -8.455 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.753 -10.304 -2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.273 -10.356 -1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.043 -12.240 -0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.657 -12.110 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.845 -13.734 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.921 -10.880 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.853 -11.813 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.247 -14.920 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.036 -14.059 -4.527 1.00 0.00 H new ATOM 569 N VAL A 29 -5.736 -7.362 1.251 1.00 0.00 N ATOM 570 CA VAL A 29 -5.746 -6.065 1.887 1.00 0.00 C ATOM 571 C VAL A 29 -5.384 -4.998 0.852 1.00 0.00 C ATOM 572 O VAL A 29 -4.409 -5.179 0.106 1.00 0.00 O ATOM 573 CB VAL A 29 -4.789 -6.089 3.101 1.00 0.00 C ATOM 574 CG1 VAL A 29 -3.437 -6.780 2.847 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.535 -4.683 3.663 1.00 0.00 C ATOM 0 H VAL A 29 -4.947 -7.497 0.620 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.737 -5.817 2.268 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.322 -6.694 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.835 -6.747 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.607 -7.818 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.910 -6.265 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.857 -4.748 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.088 -4.058 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.479 -4.243 3.984 1.00 0.00 H new ATOM 585 N PRO A 30 -6.182 -3.921 0.733 1.00 0.00 N ATOM 586 CA PRO A 30 -5.862 -2.841 -0.176 1.00 0.00 C ATOM 587 C PRO A 30 -4.752 -2.054 0.546 1.00 0.00 C ATOM 588 O PRO A 30 -4.902 -1.608 1.694 1.00 0.00 O ATOM 589 CB PRO A 30 -7.162 -2.061 -0.358 1.00 0.00 C ATOM 590 CG PRO A 30 -7.917 -2.289 0.954 1.00 0.00 C ATOM 591 CD PRO A 30 -7.366 -3.601 1.513 1.00 0.00 C ATOM 0 HA PRO A 30 -5.505 -3.120 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.971 -1.002 -0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.730 -2.426 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.754 -1.466 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.992 -2.355 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.118 -3.498 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.107 -4.396 1.436 1.00 0.00 H new ATOM 599 N VAL A 31 -3.637 -1.862 -0.152 1.00 0.00 N ATOM 600 CA VAL A 31 -2.471 -1.179 0.372 1.00 0.00 C ATOM 601 C VAL A 31 -2.196 0.050 -0.464 1.00 0.00 C ATOM 602 O VAL A 31 -2.131 -0.015 -1.695 1.00 0.00 O ATOM 603 CB VAL A 31 -1.256 -2.129 0.376 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.003 -1.435 0.923 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.494 -3.388 1.213 1.00 0.00 C ATOM 0 H VAL A 31 -3.522 -2.184 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.657 -0.870 1.400 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.111 -2.412 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.839 -2.135 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.243 -0.573 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.179 -1.105 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.607 -4.020 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.700 -3.105 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.345 -3.937 0.811 1.00 0.00 H new ATOM 615 N ILE A 32 -2.003 1.169 0.217 1.00 0.00 N ATOM 616 CA ILE A 32 -1.702 2.432 -0.419 1.00 0.00 C ATOM 617 C ILE A 32 -0.225 2.665 -0.114 1.00 0.00 C ATOM 618 O ILE A 32 0.205 2.548 1.036 1.00 0.00 O ATOM 619 CB ILE A 32 -2.649 3.555 0.027 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.153 3.229 -0.116 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.398 4.752 -0.900 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.731 2.250 0.908 1.00 0.00 C ATOM 0 H ILE A 32 -2.052 1.221 1.234 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.867 2.420 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.443 3.729 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.713 4.162 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.322 2.822 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.053 5.576 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.359 5.069 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.603 4.463 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.792 2.099 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.208 1.296 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.605 2.657 1.911 1.00 0.00 H new ATOM 634 N VAL A 33 0.568 2.923 -1.154 1.00 0.00 N ATOM 635 CA VAL A 33 2.007 3.141 -1.045 1.00 0.00 C ATOM 636 C VAL A 33 2.315 4.595 -1.402 1.00 0.00 C ATOM 637 O VAL A 33 1.889 5.063 -2.463 1.00 0.00 O ATOM 638 CB VAL A 33 2.750 2.135 -1.954 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.264 2.191 -1.707 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.289 0.680 -1.753 1.00 0.00 C ATOM 0 H VAL A 33 0.221 2.987 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 33 2.353 2.969 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 33 2.511 2.434 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.766 1.475 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.631 3.195 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.472 1.943 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.849 0.025 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.466 0.382 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.225 0.601 -1.977 1.00 0.00 H new ATOM 650 N GLU A 34 3.072 5.303 -0.558 1.00 0.00 N ATOM 651 CA GLU A 34 3.453 6.696 -0.772 1.00 0.00 C ATOM 652 C GLU A 34 4.965 6.857 -0.595 1.00 0.00 C ATOM 653 O GLU A 34 5.579 6.191 0.237 1.00 0.00 O ATOM 654 CB GLU A 34 2.613 7.600 0.145 1.00 0.00 C ATOM 655 CG GLU A 34 3.078 7.698 1.614 1.00 0.00 C ATOM 656 CD GLU A 34 3.952 8.926 1.912 1.00 0.00 C ATOM 657 OE1 GLU A 34 3.566 10.053 1.503 1.00 0.00 O ATOM 658 OE2 GLU A 34 5.005 8.811 2.572 1.00 0.00 O ATOM 0 H GLU A 34 3.442 4.913 0.309 1.00 0.00 H new ATOM 0 HA GLU A 34 3.238 7.007 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.603 8.604 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.585 7.239 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.201 7.723 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.636 6.797 1.869 1.00 0.00 H new ATOM 665 N LYS A 35 5.589 7.725 -1.389 1.00 0.00 N ATOM 666 CA LYS A 35 7.028 7.963 -1.317 1.00 0.00 C ATOM 667 C LYS A 35 7.308 9.027 -0.269 1.00 0.00 C ATOM 668 O LYS A 35 6.561 10.005 -0.182 1.00 0.00 O ATOM 669 CB LYS A 35 7.590 8.313 -2.705 1.00 0.00 C ATOM 670 CG LYS A 35 7.217 9.695 -3.277 1.00 0.00 C ATOM 671 CD LYS A 35 8.167 10.835 -2.879 1.00 0.00 C ATOM 672 CE LYS A 35 9.617 10.620 -3.322 1.00 0.00 C ATOM 673 NZ LYS A 35 9.770 10.407 -4.777 1.00 0.00 N ATOM 0 H LYS A 35 5.112 8.282 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 35 7.545 7.055 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.677 8.247 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.254 7.552 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.189 9.627 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.209 9.949 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.801 11.767 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.142 10.953 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.210 11.486 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.025 9.759 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.777 10.286 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.245 9.555 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.395 11.231 -5.290 1.00 0.00 H new ATOM 687 N ALA A 36 8.362 8.861 0.513 1.00 0.00 N ATOM 688 CA ALA A 36 8.756 9.805 1.546 1.00 0.00 C ATOM 689 C ALA A 36 9.746 10.821 0.951 1.00 0.00 C ATOM 690 O ALA A 36 10.249 10.631 -0.166 1.00 0.00 O ATOM 691 CB ALA A 36 9.400 8.983 2.663 1.00 0.00 C ATOM 0 H ALA A 36 8.979 8.052 0.446 1.00 0.00 H new ATOM 0 HA ALA A 36 7.908 10.367 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.715 9.647 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.677 8.264 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.267 8.452 2.270 1.00 0.00 H new ATOM 697 N PRO A 37 9.996 11.945 1.640 1.00 0.00 N ATOM 698 CA PRO A 37 10.944 12.940 1.172 1.00 0.00 C ATOM 699 C PRO A 37 12.350 12.338 1.277 1.00 0.00 C ATOM 700 O PRO A 37 12.560 11.398 2.037 1.00 0.00 O ATOM 701 CB PRO A 37 10.719 14.166 2.061 1.00 0.00 C ATOM 702 CG PRO A 37 10.086 13.617 3.340 1.00 0.00 C ATOM 703 CD PRO A 37 9.464 12.290 2.946 1.00 0.00 C ATOM 0 HA PRO A 37 10.818 13.237 0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.658 14.677 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.064 14.890 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.833 13.483 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.334 14.302 3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.705 11.518 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.377 12.368 2.912 1.00 0.00 H new ATOM 711 N LYS A 38 13.318 12.894 0.543 1.00 0.00 N ATOM 712 CA LYS A 38 14.726 12.468 0.480 1.00 0.00 C ATOM 713 C LYS A 38 14.919 11.172 -0.321 1.00 0.00 C ATOM 714 O LYS A 38 16.058 10.826 -0.627 1.00 0.00 O ATOM 715 CB LYS A 38 15.386 12.410 1.875 1.00 0.00 C ATOM 716 CG LYS A 38 15.379 13.782 2.571 1.00 0.00 C ATOM 717 CD LYS A 38 15.303 13.674 4.095 1.00 0.00 C ATOM 718 CE LYS A 38 13.888 13.292 4.563 1.00 0.00 C ATOM 719 NZ LYS A 38 13.583 13.813 5.914 1.00 0.00 N ATOM 0 H LYS A 38 13.134 13.698 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 38 15.254 13.243 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.859 11.685 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.413 12.058 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.280 14.329 2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.530 14.363 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.017 12.928 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.591 14.625 4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.156 13.678 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.789 12.207 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.554 13.916 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.942 13.150 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.039 14.739 6.040 1.00 0.00 H new ATOM 733 N ALA A 39 13.848 10.482 -0.730 1.00 0.00 N ATOM 734 CA ALA A 39 13.959 9.256 -1.512 1.00 0.00 C ATOM 735 C ALA A 39 14.616 9.560 -2.868 1.00 0.00 C ATOM 736 O ALA A 39 14.446 10.661 -3.409 1.00 0.00 O ATOM 737 CB ALA A 39 12.565 8.660 -1.732 1.00 0.00 C ATOM 0 H ALA A 39 12.888 10.760 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 39 14.576 8.539 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.649 7.744 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.109 8.435 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.943 9.377 -2.268 1.00 0.00 H new ATOM 743 N ARG A 40 15.300 8.569 -3.449 1.00 0.00 N ATOM 744 CA ARG A 40 15.994 8.664 -4.736 1.00 0.00 C ATOM 745 C ARG A 40 15.592 7.454 -5.580 1.00 0.00 C ATOM 746 O ARG A 40 16.438 6.683 -6.014 1.00 0.00 O ATOM 747 CB ARG A 40 17.514 8.801 -4.469 1.00 0.00 C ATOM 748 CG ARG A 40 18.354 9.376 -5.630 1.00 0.00 C ATOM 749 CD ARG A 40 18.889 8.382 -6.678 1.00 0.00 C ATOM 750 NE ARG A 40 19.780 7.359 -6.104 1.00 0.00 N ATOM 751 CZ ARG A 40 21.092 7.465 -5.869 1.00 0.00 C ATOM 752 NH1 ARG A 40 21.746 8.584 -6.172 1.00 0.00 N ATOM 753 NH2 ARG A 40 21.743 6.433 -5.336 1.00 0.00 N ATOM 0 H ARG A 40 15.388 7.647 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 40 15.713 9.547 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.654 9.437 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 40 17.908 7.818 -4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 40 17.748 10.119 -6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.206 9.904 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.048 7.890 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 40 19.427 8.932 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 40 19.347 6.469 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 40 21.246 9.370 -6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 40 22.747 8.655 -5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.241 5.574 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.744 6.501 -5.152 1.00 0.00 H new ATOM 767 N VAL A 41 14.291 7.211 -5.731 1.00 0.00 N ATOM 768 CA VAL A 41 13.760 6.088 -6.505 1.00 0.00 C ATOM 769 C VAL A 41 12.607 6.521 -7.418 1.00 0.00 C ATOM 770 O VAL A 41 11.926 7.508 -7.110 1.00 0.00 O ATOM 771 CB VAL A 41 13.370 4.927 -5.564 1.00 0.00 C ATOM 772 CG1 VAL A 41 14.618 4.108 -5.226 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.683 5.384 -4.265 1.00 0.00 C ATOM 0 H VAL A 41 13.566 7.795 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 41 14.545 5.724 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 41 12.639 4.323 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.346 3.288 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.048 3.705 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.350 4.747 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.439 4.513 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.354 6.039 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.768 5.924 -4.508 1.00 0.00 H new ATOM 783 N PRO A 42 12.346 5.791 -8.516 1.00 0.00 N ATOM 784 CA PRO A 42 11.279 6.120 -9.452 1.00 0.00 C ATOM 785 C PRO A 42 9.890 5.943 -8.844 1.00 0.00 C ATOM 786 O PRO A 42 9.700 5.263 -7.832 1.00 0.00 O ATOM 787 CB PRO A 42 11.479 5.198 -10.658 1.00 0.00 C ATOM 788 CG PRO A 42 12.201 3.991 -10.070 1.00 0.00 C ATOM 789 CD PRO A 42 13.070 4.612 -8.980 1.00 0.00 C ATOM 0 HA PRO A 42 11.331 7.172 -9.734 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.528 4.916 -11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.071 5.679 -11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.502 3.261 -9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.801 3.474 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.235 3.909 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.051 4.884 -9.370 1.00 0.00 H new ATOM 797 N ASP A 43 8.926 6.639 -9.439 1.00 0.00 N ATOM 798 CA ASP A 43 7.520 6.617 -9.065 1.00 0.00 C ATOM 799 C ASP A 43 6.806 5.486 -9.804 1.00 0.00 C ATOM 800 O ASP A 43 7.359 4.860 -10.716 1.00 0.00 O ATOM 801 CB ASP A 43 6.836 7.954 -9.370 1.00 0.00 C ATOM 802 CG ASP A 43 6.781 8.247 -10.867 1.00 0.00 C ATOM 803 OD1 ASP A 43 7.736 8.899 -11.345 1.00 0.00 O ATOM 804 OD2 ASP A 43 5.780 7.908 -11.533 1.00 0.00 O ATOM 0 H ASP A 43 9.113 7.259 -10.227 1.00 0.00 H new ATOM 0 HA ASP A 43 7.460 6.448 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.823 7.942 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.371 8.757 -8.864 1.00 0.00 H new ATOM 809 N LEU A 44 5.593 5.167 -9.351 1.00 0.00 N ATOM 810 CA LEU A 44 4.758 4.129 -9.930 1.00 0.00 C ATOM 811 C LEU A 44 3.456 4.763 -10.392 1.00 0.00 C ATOM 812 O LEU A 44 2.979 5.742 -9.819 1.00 0.00 O ATOM 813 CB LEU A 44 4.523 2.992 -8.929 1.00 0.00 C ATOM 814 CG LEU A 44 5.782 2.133 -8.708 1.00 0.00 C ATOM 815 CD1 LEU A 44 5.661 1.348 -7.405 1.00 0.00 C ATOM 816 CD2 LEU A 44 6.002 1.139 -9.851 1.00 0.00 C ATOM 0 H LEU A 44 5.160 5.636 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 44 5.258 3.681 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.201 3.412 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.712 2.358 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 44 6.631 2.816 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.557 0.744 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.551 2.042 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.788 0.697 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.900 0.553 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.143 0.472 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.120 1.683 -10.788 1.00 0.00 H new ATOM 828 N ASP A 45 2.855 4.133 -11.394 1.00 0.00 N ATOM 829 CA ASP A 45 1.621 4.504 -12.079 1.00 0.00 C ATOM 830 C ASP A 45 0.466 4.891 -11.178 1.00 0.00 C ATOM 831 O ASP A 45 -0.241 5.859 -11.465 1.00 0.00 O ATOM 832 CB ASP A 45 1.173 3.327 -12.948 1.00 0.00 C ATOM 833 CG ASP A 45 2.044 3.232 -14.182 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.233 2.857 -14.034 1.00 0.00 O ATOM 835 OD2 ASP A 45 1.520 3.553 -15.270 1.00 0.00 O ATOM 0 H ASP A 45 3.251 3.277 -11.782 1.00 0.00 H new ATOM 0 HA ASP A 45 1.864 5.396 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.234 2.400 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.130 3.455 -13.238 1.00 0.00 H new ATOM 840 N LYS A 46 0.226 4.116 -10.121 1.00 0.00 N ATOM 841 CA LYS A 46 -0.864 4.374 -9.193 1.00 0.00 C ATOM 842 C LYS A 46 -0.380 4.192 -7.768 1.00 0.00 C ATOM 843 O LYS A 46 0.632 3.535 -7.524 1.00 0.00 O ATOM 844 CB LYS A 46 -2.042 3.429 -9.479 1.00 0.00 C ATOM 845 CG LYS A 46 -2.646 3.594 -10.883 1.00 0.00 C ATOM 846 CD LYS A 46 -3.970 2.832 -10.977 1.00 0.00 C ATOM 847 CE LYS A 46 -4.541 2.886 -12.395 1.00 0.00 C ATOM 848 NZ LYS A 46 -5.809 2.137 -12.486 1.00 0.00 N ATOM 0 H LYS A 46 0.783 3.294 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.204 5.401 -9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.707 2.399 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.821 3.601 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.809 4.651 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.949 3.222 -11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.816 1.794 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.688 3.258 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.706 3.924 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.818 2.471 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.174 2.190 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.644 1.142 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.504 2.550 -11.832 1.00 0.00 H new ATOM 862 N ARG A 47 -1.150 4.728 -6.822 1.00 0.00 N ATOM 863 CA ARG A 47 -0.846 4.634 -5.398 1.00 0.00 C ATOM 864 C ARG A 47 -1.595 3.488 -4.719 1.00 0.00 C ATOM 865 O ARG A 47 -1.167 3.058 -3.652 1.00 0.00 O ATOM 866 CB ARG A 47 -1.122 5.988 -4.715 1.00 0.00 C ATOM 867 CG ARG A 47 -2.580 6.475 -4.749 1.00 0.00 C ATOM 868 CD ARG A 47 -2.683 7.891 -4.166 1.00 0.00 C ATOM 869 NE ARG A 47 -4.049 8.418 -4.267 1.00 0.00 N ATOM 870 CZ ARG A 47 -4.576 9.443 -3.592 1.00 0.00 C ATOM 871 NH1 ARG A 47 -3.840 10.145 -2.740 1.00 0.00 N ATOM 872 NH2 ARG A 47 -5.852 9.756 -3.779 1.00 0.00 N ATOM 0 H ARG A 47 -2.007 5.242 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 47 0.213 4.401 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.807 5.918 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.496 6.745 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.949 6.469 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.212 5.793 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.373 7.878 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.997 8.553 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.667 7.948 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.860 9.904 -2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.255 10.926 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.419 9.216 -4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.266 10.537 -3.269 1.00 0.00 H new ATOM 886 N LYS A 48 -2.688 2.995 -5.317 1.00 0.00 N ATOM 887 CA LYS A 48 -3.521 1.922 -4.770 1.00 0.00 C ATOM 888 C LYS A 48 -3.098 0.557 -5.293 1.00 0.00 C ATOM 889 O LYS A 48 -3.009 0.375 -6.513 1.00 0.00 O ATOM 890 CB LYS A 48 -5.019 2.107 -5.107 1.00 0.00 C ATOM 891 CG LYS A 48 -5.516 3.525 -5.428 1.00 0.00 C ATOM 892 CD LYS A 48 -5.521 3.790 -6.944 1.00 0.00 C ATOM 893 CE LYS A 48 -5.806 5.251 -7.306 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.208 5.644 -7.071 1.00 0.00 N ATOM 0 H LYS A 48 -3.023 3.341 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.380 1.974 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.250 1.471 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.600 1.732 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.522 3.658 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.878 4.256 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.555 3.503 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.271 3.154 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.151 5.898 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.561 5.413 -8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.338 6.642 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.837 5.049 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.440 5.519 -6.065 1.00 0.00 H new ATOM 908 N TYR A 49 -2.924 -0.396 -4.386 1.00 0.00 N ATOM 909 CA TYR A 49 -2.541 -1.765 -4.667 1.00 0.00 C ATOM 910 C TYR A 49 -3.442 -2.694 -3.861 1.00 0.00 C ATOM 911 O TYR A 49 -4.137 -2.264 -2.940 1.00 0.00 O ATOM 912 CB TYR A 49 -1.064 -2.004 -4.311 1.00 0.00 C ATOM 913 CG TYR A 49 -0.107 -1.158 -5.121 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.137 0.176 -4.746 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.489 -1.685 -6.282 1.00 0.00 C ATOM 916 CE1 TYR A 49 0.912 1.007 -5.567 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.282 -0.863 -7.099 1.00 0.00 C ATOM 918 CZ TYR A 49 1.459 0.496 -6.763 1.00 0.00 C ATOM 919 OH TYR A 49 2.124 1.319 -7.608 1.00 0.00 O ATOM 0 H TYR A 49 -3.053 -0.223 -3.389 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.658 -1.966 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.915 -1.795 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.826 -3.057 -4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.274 0.560 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.336 -2.721 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.090 2.034 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.755 -1.269 -7.981 1.00 0.00 H new ATOM 0 HH TYR A 49 1.800 2.237 -7.493 1.00 0.00 H new ATOM 929 N LEU A 50 -3.419 -3.980 -4.187 1.00 0.00 N ATOM 930 CA LEU A 50 -4.186 -5.029 -3.534 1.00 0.00 C ATOM 931 C LEU A 50 -3.240 -6.214 -3.444 1.00 0.00 C ATOM 932 O LEU A 50 -2.822 -6.722 -4.487 1.00 0.00 O ATOM 933 CB LEU A 50 -5.462 -5.354 -4.345 1.00 0.00 C ATOM 934 CG LEU A 50 -6.734 -4.735 -3.739 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.884 -4.807 -4.747 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.167 -5.472 -2.463 1.00 0.00 C ATOM 0 H LEU A 50 -2.839 -4.334 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.538 -4.738 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.339 -4.992 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.583 -6.436 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.504 -3.699 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.780 -4.367 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.613 -4.257 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.079 -5.849 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.068 -5.008 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.371 -6.517 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.370 -5.415 -1.722 1.00 0.00 H new ATOM 948 N VAL A 51 -2.931 -6.680 -2.231 1.00 0.00 N ATOM 949 CA VAL A 51 -2.016 -7.811 -2.026 1.00 0.00 C ATOM 950 C VAL A 51 -2.624 -8.841 -1.065 1.00 0.00 C ATOM 951 O VAL A 51 -3.524 -8.473 -0.301 1.00 0.00 O ATOM 952 CB VAL A 51 -0.648 -7.295 -1.521 1.00 0.00 C ATOM 953 CG1 VAL A 51 -0.036 -6.276 -2.486 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.723 -6.665 -0.126 1.00 0.00 C ATOM 0 H VAL A 51 -3.304 -6.288 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.858 -8.317 -2.978 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.013 -8.179 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.924 -5.937 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.112 -6.741 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.707 -5.423 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.268 -6.323 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.409 -5.818 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.081 -7.406 0.589 1.00 0.00 H new ATOM 964 N PRO A 52 -2.189 -10.115 -1.106 1.00 0.00 N ATOM 965 CA PRO A 52 -2.696 -11.139 -0.207 1.00 0.00 C ATOM 966 C PRO A 52 -2.090 -10.935 1.190 1.00 0.00 C ATOM 967 O PRO A 52 -0.982 -10.416 1.338 1.00 0.00 O ATOM 968 CB PRO A 52 -2.277 -12.469 -0.831 1.00 0.00 C ATOM 969 CG PRO A 52 -1.012 -12.145 -1.614 1.00 0.00 C ATOM 970 CD PRO A 52 -1.153 -10.668 -1.973 1.00 0.00 C ATOM 0 HA PRO A 52 -3.778 -11.103 -0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.088 -13.223 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.056 -12.864 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.118 -12.325 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.928 -12.764 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.208 -10.144 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.425 -10.550 -3.022 1.00 0.00 H new ATOM 978 N SER A 53 -2.814 -11.366 2.218 1.00 0.00 N ATOM 979 CA SER A 53 -2.431 -11.264 3.620 1.00 0.00 C ATOM 980 C SER A 53 -1.233 -12.178 3.939 1.00 0.00 C ATOM 981 O SER A 53 -0.338 -11.805 4.698 1.00 0.00 O ATOM 982 CB SER A 53 -3.679 -11.665 4.420 1.00 0.00 C ATOM 983 OG SER A 53 -3.772 -11.153 5.719 1.00 0.00 O ATOM 0 H SER A 53 -3.721 -11.814 2.090 1.00 0.00 H new ATOM 0 HA SER A 53 -2.106 -10.255 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.560 -11.347 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.714 -12.753 4.477 1.00 0.00 H new ATOM 0 HG SER A 53 -4.601 -11.467 6.136 1.00 0.00 H new ATOM 989 N ASP A 54 -1.149 -13.342 3.288 1.00 0.00 N ATOM 990 CA ASP A 54 -0.082 -14.324 3.509 1.00 0.00 C ATOM 991 C ASP A 54 1.289 -13.870 2.975 1.00 0.00 C ATOM 992 O ASP A 54 2.295 -14.533 3.232 1.00 0.00 O ATOM 993 CB ASP A 54 -0.457 -15.678 2.871 1.00 0.00 C ATOM 994 CG ASP A 54 -1.710 -16.352 3.447 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.015 -16.173 4.642 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.430 -17.017 2.657 1.00 0.00 O ATOM 0 H ASP A 54 -1.828 -13.633 2.584 1.00 0.00 H new ATOM 0 HA ASP A 54 0.013 -14.427 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.605 -15.528 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.386 -16.360 2.984 1.00 0.00 H new ATOM 1001 N LEU A 55 1.367 -12.764 2.224 1.00 0.00 N ATOM 1002 CA LEU A 55 2.614 -12.260 1.649 1.00 0.00 C ATOM 1003 C LEU A 55 3.611 -11.808 2.723 1.00 0.00 C ATOM 1004 O LEU A 55 3.380 -10.802 3.397 1.00 0.00 O ATOM 1005 CB LEU A 55 2.309 -11.110 0.670 1.00 0.00 C ATOM 1006 CG LEU A 55 3.545 -10.468 0.003 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.368 -11.480 -0.804 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.078 -9.347 -0.937 1.00 0.00 C ATOM 0 H LEU A 55 0.555 -12.190 1.998 1.00 0.00 H new ATOM 0 HA LEU A 55 3.086 -13.081 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.648 -11.485 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.761 -10.334 1.205 1.00 0.00 H new ATOM 0 HG LEU A 55 4.183 -10.080 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.225 -10.977 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.717 -12.274 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.747 -11.909 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.944 -8.887 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.422 -9.763 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.536 -8.594 -0.364 1.00 0.00 H new ATOM 1020 N THR A 56 4.739 -12.509 2.852 1.00 0.00 N ATOM 1021 CA THR A 56 5.787 -12.181 3.809 1.00 0.00 C ATOM 1022 C THR A 56 6.317 -10.766 3.502 1.00 0.00 C ATOM 1023 O THR A 56 6.482 -10.402 2.333 1.00 0.00 O ATOM 1024 CB THR A 56 6.915 -13.230 3.747 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.400 -14.529 3.520 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.710 -13.244 5.055 1.00 0.00 C ATOM 0 H THR A 56 4.949 -13.331 2.285 1.00 0.00 H new ATOM 0 HA THR A 56 5.385 -12.195 4.822 1.00 0.00 H new ATOM 0 HB THR A 56 7.566 -12.952 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.139 -15.172 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.502 -13.991 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.151 -12.261 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.045 -13.490 5.883 1.00 0.00 H new ATOM 1034 N VAL A 57 6.628 -9.977 4.525 1.00 0.00 N ATOM 1035 CA VAL A 57 7.137 -8.610 4.394 1.00 0.00 C ATOM 1036 C VAL A 57 8.406 -8.604 3.529 1.00 0.00 C ATOM 1037 O VAL A 57 8.506 -7.786 2.609 1.00 0.00 O ATOM 1038 CB VAL A 57 7.316 -7.994 5.800 1.00 0.00 C ATOM 1039 CG1 VAL A 57 7.918 -6.590 5.732 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.978 -7.846 6.546 1.00 0.00 C ATOM 0 H VAL A 57 6.532 -10.276 5.496 1.00 0.00 H new ATOM 0 HA VAL A 57 6.424 -7.973 3.871 1.00 0.00 H new ATOM 0 HB VAL A 57 7.978 -8.683 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.028 -6.192 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.895 -6.636 5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.261 -5.940 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.156 -7.409 7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.313 -7.198 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.516 -8.826 6.663 1.00 0.00 H new ATOM 1050 N GLY A 58 9.333 -9.547 3.725 1.00 0.00 N ATOM 1051 CA GLY A 58 10.553 -9.617 2.929 1.00 0.00 C ATOM 1052 C GLY A 58 10.232 -9.816 1.443 1.00 0.00 C ATOM 1053 O GLY A 58 10.877 -9.220 0.586 1.00 0.00 O ATOM 0 H GLY A 58 9.256 -10.276 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.130 -8.701 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.175 -10.439 3.283 1.00 0.00 H new ATOM 1057 N GLN A 59 9.241 -10.657 1.121 1.00 0.00 N ATOM 1058 CA GLN A 59 8.838 -10.905 -0.260 1.00 0.00 C ATOM 1059 C GLN A 59 8.245 -9.637 -0.865 1.00 0.00 C ATOM 1060 O GLN A 59 8.545 -9.328 -2.015 1.00 0.00 O ATOM 1061 CB GLN A 59 7.897 -12.111 -0.336 1.00 0.00 C ATOM 1062 CG GLN A 59 8.695 -13.423 -0.287 1.00 0.00 C ATOM 1063 CD GLN A 59 9.334 -13.810 -1.626 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.666 -12.984 -2.477 1.00 0.00 O ATOM 1065 NE2 GLN A 59 9.505 -15.091 -1.871 1.00 0.00 N ATOM 0 H GLN A 59 8.701 -11.180 1.810 1.00 0.00 H new ATOM 0 HA GLN A 59 9.711 -11.162 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.188 -12.079 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.315 -12.067 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.478 -13.333 0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.034 -14.227 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.234 -15.784 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.909 -15.391 -2.758 1.00 0.00 H new ATOM 1074 N PHE A 60 7.436 -8.890 -0.104 1.00 0.00 N ATOM 1075 CA PHE A 60 6.856 -7.640 -0.583 1.00 0.00 C ATOM 1076 C PHE A 60 8.013 -6.701 -0.950 1.00 0.00 C ATOM 1077 O PHE A 60 8.005 -6.137 -2.049 1.00 0.00 O ATOM 1078 CB PHE A 60 5.906 -7.047 0.477 1.00 0.00 C ATOM 1079 CG PHE A 60 5.536 -5.583 0.299 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.912 -5.140 -0.882 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.802 -4.655 1.325 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.557 -3.788 -1.034 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.425 -3.306 1.185 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.803 -2.870 0.001 1.00 0.00 C ATOM 0 H PHE A 60 7.170 -9.135 0.850 1.00 0.00 H new ATOM 0 HA PHE A 60 6.244 -7.800 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.988 -7.635 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.367 -7.168 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.705 -5.842 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.299 -4.981 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.093 -3.454 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.613 -2.606 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.516 -1.835 -0.112 1.00 0.00 H new ATOM 1094 N TYR A 61 9.031 -6.587 -0.086 1.00 0.00 N ATOM 1095 CA TYR A 61 10.185 -5.731 -0.343 1.00 0.00 C ATOM 1096 C TYR A 61 10.890 -6.162 -1.628 1.00 0.00 C ATOM 1097 O TYR A 61 11.149 -5.319 -2.482 1.00 0.00 O ATOM 1098 CB TYR A 61 11.173 -5.737 0.840 1.00 0.00 C ATOM 1099 CG TYR A 61 10.726 -5.154 2.174 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.482 -4.514 2.342 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.610 -5.246 3.268 1.00 0.00 C ATOM 1102 CE1 TYR A 61 9.119 -3.979 3.590 1.00 0.00 C ATOM 1103 CE2 TYR A 61 11.253 -4.713 4.516 1.00 0.00 C ATOM 1104 CZ TYR A 61 10.005 -4.075 4.685 1.00 0.00 C ATOM 1105 OH TYR A 61 9.683 -3.561 5.904 1.00 0.00 O ATOM 0 H TYR A 61 9.073 -7.084 0.804 1.00 0.00 H new ATOM 0 HA TYR A 61 9.820 -4.711 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.471 -6.771 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.066 -5.196 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.803 -4.434 1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.568 -5.730 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.162 -3.494 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.935 -4.791 5.350 1.00 0.00 H new ATOM 0 HH TYR A 61 10.417 -3.724 6.532 1.00 0.00 H new ATOM 1115 N PHE A 62 11.142 -7.463 -1.828 1.00 0.00 N ATOM 1116 CA PHE A 62 11.806 -7.954 -3.036 1.00 0.00 C ATOM 1117 C PHE A 62 11.009 -7.590 -4.292 1.00 0.00 C ATOM 1118 O PHE A 62 11.595 -7.137 -5.281 1.00 0.00 O ATOM 1119 CB PHE A 62 12.005 -9.479 -2.984 1.00 0.00 C ATOM 1120 CG PHE A 62 13.087 -9.974 -2.043 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.403 -9.487 -2.161 1.00 0.00 C ATOM 1122 CD2 PHE A 62 12.810 -10.986 -1.104 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.416 -9.982 -1.323 1.00 0.00 C ATOM 1124 CE2 PHE A 62 13.822 -11.477 -0.262 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.127 -10.972 -0.373 1.00 0.00 C ATOM 0 H PHE A 62 10.893 -8.195 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 62 12.782 -7.471 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.060 -9.940 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.236 -9.830 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.634 -8.731 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.811 -11.388 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.422 -9.598 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.597 -12.240 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.908 -11.346 0.273 1.00 0.00 H new ATOM 1135 N LEU A 63 9.687 -7.774 -4.255 1.00 0.00 N ATOM 1136 CA LEU A 63 8.789 -7.485 -5.365 1.00 0.00 C ATOM 1137 C LEU A 63 8.845 -6.011 -5.747 1.00 0.00 C ATOM 1138 O LEU A 63 9.018 -5.712 -6.935 1.00 0.00 O ATOM 1139 CB LEU A 63 7.360 -7.945 -5.018 1.00 0.00 C ATOM 1140 CG LEU A 63 6.983 -9.306 -5.637 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.029 -10.414 -5.441 1.00 0.00 C ATOM 1142 CD2 LEU A 63 5.652 -9.789 -5.048 1.00 0.00 C ATOM 0 H LEU A 63 9.205 -8.136 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 63 9.115 -8.045 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.260 -8.008 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.651 -7.191 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 63 6.916 -9.126 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.677 -11.333 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.971 -10.111 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.182 -10.585 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.388 -10.751 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.750 -9.898 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.871 -9.062 -5.270 1.00 0.00 H new ATOM 1154 N ILE A 64 8.721 -5.088 -4.787 1.00 0.00 N ATOM 1155 CA ILE A 64 8.771 -3.661 -5.104 1.00 0.00 C ATOM 1156 C ILE A 64 10.193 -3.265 -5.505 1.00 0.00 C ATOM 1157 O ILE A 64 10.344 -2.536 -6.483 1.00 0.00 O ATOM 1158 CB ILE A 64 8.177 -2.791 -3.977 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.743 -3.227 -3.591 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.162 -1.306 -4.391 1.00 0.00 C ATOM 1161 CD1 ILE A 64 5.741 -3.353 -4.747 1.00 0.00 C ATOM 0 H ILE A 64 8.587 -5.301 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 64 8.130 -3.469 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 64 8.818 -2.928 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.802 -4.189 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.348 -2.510 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.740 -0.707 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.180 -0.975 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.555 -1.185 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.772 -3.664 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.639 -2.390 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.100 -4.095 -5.460 1.00 0.00 H new ATOM 1173 N ARG A 65 11.238 -3.771 -4.833 1.00 0.00 N ATOM 1174 CA ARG A 65 12.637 -3.464 -5.159 1.00 0.00 C ATOM 1175 C ARG A 65 12.882 -3.786 -6.632 1.00 0.00 C ATOM 1176 O ARG A 65 13.438 -2.978 -7.376 1.00 0.00 O ATOM 1177 CB ARG A 65 13.588 -4.270 -4.255 1.00 0.00 C ATOM 1178 CG ARG A 65 15.049 -3.823 -4.417 1.00 0.00 C ATOM 1179 CD ARG A 65 16.072 -4.922 -4.119 1.00 0.00 C ATOM 1180 NE ARG A 65 16.005 -5.435 -2.742 1.00 0.00 N ATOM 1181 CZ ARG A 65 16.568 -6.573 -2.326 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.160 -7.396 -3.182 1.00 0.00 N ATOM 1183 NH2 ARG A 65 16.539 -6.879 -1.040 1.00 0.00 N ATOM 0 H ARG A 65 11.134 -4.408 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 65 12.833 -2.406 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.286 -4.153 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.504 -5.330 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.199 -3.468 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.235 -2.978 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 65 15.917 -5.748 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.074 -4.534 -4.304 1.00 0.00 H new ATOM 0 HE ARG A 65 15.492 -4.882 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.190 -7.164 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.585 -8.261 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.090 -6.249 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.966 -7.745 -0.712 1.00 0.00 H new ATOM 1197 N LYS A 66 12.445 -4.969 -7.073 1.00 0.00 N ATOM 1198 CA LYS A 66 12.596 -5.386 -8.456 1.00 0.00 C ATOM 1199 C LYS A 66 11.798 -4.444 -9.360 1.00 0.00 C ATOM 1200 O LYS A 66 12.310 -4.046 -10.404 1.00 0.00 O ATOM 1201 CB LYS A 66 12.182 -6.864 -8.576 1.00 0.00 C ATOM 1202 CG LYS A 66 12.298 -7.480 -9.978 1.00 0.00 C ATOM 1203 CD LYS A 66 13.648 -7.227 -10.675 1.00 0.00 C ATOM 1204 CE LYS A 66 13.831 -8.012 -11.981 1.00 0.00 C ATOM 1205 NZ LYS A 66 12.742 -7.799 -12.957 1.00 0.00 N ATOM 0 H LYS A 66 11.980 -5.656 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 66 13.633 -5.320 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.795 -7.450 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.149 -6.960 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.138 -8.556 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.500 -7.081 -10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.742 -6.162 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.454 -7.488 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.778 -7.725 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.898 -9.075 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.955 -8.318 -13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.846 -8.145 -12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.658 -6.784 -13.167 1.00 0.00 H new ATOM 1219 N ARG A 67 10.591 -4.024 -8.960 1.00 0.00 N ATOM 1220 CA ARG A 67 9.753 -3.131 -9.763 1.00 0.00 C ATOM 1221 C ARG A 67 10.413 -1.780 -10.022 1.00 0.00 C ATOM 1222 O ARG A 67 10.332 -1.280 -11.138 1.00 0.00 O ATOM 1223 CB ARG A 67 8.379 -2.918 -9.092 1.00 0.00 C ATOM 1224 CG ARG A 67 7.252 -2.730 -10.121 1.00 0.00 C ATOM 1225 CD ARG A 67 6.882 -4.099 -10.700 1.00 0.00 C ATOM 1226 NE ARG A 67 5.827 -4.053 -11.726 1.00 0.00 N ATOM 1227 CZ ARG A 67 5.381 -5.141 -12.366 1.00 0.00 C ATOM 1228 NH1 ARG A 67 5.947 -6.314 -12.103 1.00 0.00 N ATOM 1229 NH2 ARG A 67 4.381 -5.082 -13.235 1.00 0.00 N ATOM 0 H ARG A 67 10.170 -4.295 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 67 9.617 -3.621 -10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.150 -3.774 -8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.425 -2.044 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.383 -2.272 -9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.575 -2.058 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.774 -4.552 -11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.556 -4.749 -9.888 1.00 0.00 H new ATOM 0 HE ARG A 67 5.416 -3.149 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.706 -6.373 -11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.622 -7.155 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.929 -4.189 -13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.064 -5.929 -13.706 1.00 0.00 H new ATOM 1243 N ILE A 68 11.080 -1.201 -9.025 1.00 0.00 N ATOM 1244 CA ILE A 68 11.745 0.097 -9.159 1.00 0.00 C ATOM 1245 C ILE A 68 13.139 -0.021 -9.792 1.00 0.00 C ATOM 1246 O ILE A 68 13.746 0.997 -10.113 1.00 0.00 O ATOM 1247 CB ILE A 68 11.755 0.832 -7.802 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.582 0.075 -6.746 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.303 1.068 -7.347 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.506 0.668 -5.343 1.00 0.00 C ATOM 0 H ILE A 68 11.176 -1.618 -8.099 1.00 0.00 H new ATOM 0 HA ILE A 68 11.170 0.705 -9.857 1.00 0.00 H new ATOM 0 HB ILE A 68 12.244 1.798 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.242 -0.960 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.625 0.056 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.302 1.587 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.783 1.674 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.795 0.110 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.117 0.074 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.876 1.693 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.471 0.661 -5.001 1.00 0.00 H new ATOM 1262 N HIS A 69 13.643 -1.244 -10.006 1.00 0.00 N ATOM 1263 CA HIS A 69 14.941 -1.540 -10.609 1.00 0.00 C ATOM 1264 C HIS A 69 16.131 -0.808 -9.951 1.00 0.00 C ATOM 1265 O HIS A 69 17.082 -0.441 -10.646 1.00 0.00 O ATOM 1266 CB HIS A 69 14.878 -1.298 -12.130 1.00 0.00 C ATOM 1267 CG HIS A 69 13.836 -2.091 -12.887 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.061 -3.259 -13.586 1.00 0.00 N ATOM 1269 CD2 HIS A 69 12.566 -1.670 -13.185 1.00 0.00 C ATOM 1270 CE1 HIS A 69 12.950 -3.536 -14.289 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.018 -2.591 -14.088 1.00 0.00 N ATOM 0 H HIS A 69 13.131 -2.088 -9.751 1.00 0.00 H new ATOM 0 HA HIS A 69 15.141 -2.595 -10.422 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.693 -0.237 -12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.856 -1.524 -12.554 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.077 -0.789 -12.795 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.824 -4.398 -14.927 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.091 -2.551 -14.511 1.00 0.00 H new ATOM 1279 N LEU A 70 16.105 -0.560 -8.634 1.00 0.00 N ATOM 1280 CA LEU A 70 17.209 0.118 -7.933 1.00 0.00 C ATOM 1281 C LEU A 70 18.524 -0.682 -8.041 1.00 0.00 C ATOM 1282 O LEU A 70 18.507 -1.874 -8.374 1.00 0.00 O ATOM 1283 CB LEU A 70 16.828 0.557 -6.508 1.00 0.00 C ATOM 1284 CG LEU A 70 16.373 -0.516 -5.505 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.467 -1.519 -5.152 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.979 0.177 -4.203 1.00 0.00 C ATOM 0 H LEU A 70 15.327 -0.820 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 70 17.405 1.058 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.689 1.069 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.028 1.293 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 70 15.550 -1.055 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.077 -2.247 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.794 -2.034 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.312 -0.994 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.653 -0.569 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.837 0.719 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.165 0.876 -4.395 1.00 0.00 H new ATOM 1298 N ARG A 71 19.676 -0.018 -7.901 1.00 0.00 N ATOM 1299 CA ARG A 71 20.994 -0.654 -7.993 1.00 0.00 C ATOM 1300 C ARG A 71 21.235 -1.524 -6.750 1.00 0.00 C ATOM 1301 O ARG A 71 20.597 -1.319 -5.720 1.00 0.00 O ATOM 1302 CB ARG A 71 22.085 0.431 -8.146 1.00 0.00 C ATOM 1303 CG ARG A 71 21.840 1.485 -9.246 1.00 0.00 C ATOM 1304 CD ARG A 71 21.549 0.911 -10.642 1.00 0.00 C ATOM 1305 NE ARG A 71 22.611 0.011 -11.120 1.00 0.00 N ATOM 1306 CZ ARG A 71 22.493 -0.910 -12.081 1.00 0.00 C ATOM 1307 NH1 ARG A 71 21.404 -1.012 -12.840 1.00 0.00 N ATOM 1308 NH2 ARG A 71 23.513 -1.730 -12.276 1.00 0.00 N ATOM 0 H ARG A 71 19.720 0.985 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 71 21.035 -1.300 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.192 0.948 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.035 -0.063 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.001 2.113 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.715 2.131 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.603 0.369 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.428 1.731 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 71 23.525 0.099 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.622 -0.373 -12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 71 21.352 -1.729 -13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.352 -1.646 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 71 23.460 -2.446 -13.000 1.00 0.00 H new ATOM 1322 N PRO A 72 22.185 -2.472 -6.771 1.00 0.00 N ATOM 1323 CA PRO A 72 22.438 -3.324 -5.612 1.00 0.00 C ATOM 1324 C PRO A 72 23.059 -2.555 -4.444 1.00 0.00 C ATOM 1325 O PRO A 72 22.959 -2.989 -3.300 1.00 0.00 O ATOM 1326 CB PRO A 72 23.375 -4.426 -6.108 1.00 0.00 C ATOM 1327 CG PRO A 72 24.107 -3.759 -7.268 1.00 0.00 C ATOM 1328 CD PRO A 72 23.041 -2.853 -7.878 1.00 0.00 C ATOM 0 HA PRO A 72 21.504 -3.727 -5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.065 -4.750 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.824 -5.308 -6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 72 24.971 -3.190 -6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.473 -4.491 -7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.490 -1.978 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.476 -3.375 -8.651 1.00 0.00 H new ATOM 1336 N GLU A 73 23.738 -1.448 -4.731 1.00 0.00 N ATOM 1337 CA GLU A 73 24.396 -0.609 -3.740 1.00 0.00 C ATOM 1338 C GLU A 73 23.444 0.405 -3.090 1.00 0.00 C ATOM 1339 O GLU A 73 23.821 1.036 -2.098 1.00 0.00 O ATOM 1340 CB GLU A 73 25.650 -0.011 -4.398 1.00 0.00 C ATOM 1341 CG GLU A 73 26.634 -1.168 -4.660 1.00 0.00 C ATOM 1342 CD GLU A 73 27.913 -0.761 -5.380 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.944 -0.855 -6.630 1.00 0.00 O ATOM 1344 OE2 GLU A 73 28.936 -0.578 -4.686 1.00 0.00 O ATOM 0 H GLU A 73 23.847 -1.103 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 73 24.717 -1.201 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.391 0.490 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.103 0.738 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.899 -1.625 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.128 -1.932 -5.250 1.00 0.00 H new ATOM 1351 N ASP A 74 22.241 0.586 -3.649 1.00 0.00 N ATOM 1352 CA ASP A 74 21.214 1.498 -3.138 1.00 0.00 C ATOM 1353 C ASP A 74 20.566 0.862 -1.911 1.00 0.00 C ATOM 1354 O ASP A 74 20.652 -0.355 -1.712 1.00 0.00 O ATOM 1355 CB ASP A 74 20.115 1.773 -4.178 1.00 0.00 C ATOM 1356 CG ASP A 74 20.568 2.659 -5.338 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.350 3.621 -5.141 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.171 2.371 -6.491 1.00 0.00 O ATOM 0 H ASP A 74 21.949 0.089 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 74 21.696 2.445 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.760 0.823 -4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.268 2.247 -3.681 1.00 0.00 H new ATOM 1363 N ALA A 75 19.976 1.680 -1.043 1.00 0.00 N ATOM 1364 CA ALA A 75 19.301 1.209 0.157 1.00 0.00 C ATOM 1365 C ALA A 75 17.799 1.120 -0.118 1.00 0.00 C ATOM 1366 O ALA A 75 17.326 1.486 -1.193 1.00 0.00 O ATOM 1367 CB ALA A 75 19.637 2.139 1.315 1.00 0.00 C ATOM 0 H ALA A 75 19.954 2.694 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 75 19.640 0.211 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.134 1.792 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.715 2.142 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.303 3.149 1.079 1.00 0.00 H new ATOM 1373 N LEU A 76 17.038 0.573 0.828 1.00 0.00 N ATOM 1374 CA LEU A 76 15.596 0.428 0.712 1.00 0.00 C ATOM 1375 C LEU A 76 15.032 0.266 2.110 1.00 0.00 C ATOM 1376 O LEU A 76 15.447 -0.650 2.821 1.00 0.00 O ATOM 1377 CB LEU A 76 15.258 -0.796 -0.163 1.00 0.00 C ATOM 1378 CG LEU A 76 13.739 -1.090 -0.241 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.329 -1.411 -1.679 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.281 -2.246 0.661 1.00 0.00 C ATOM 0 H LEU A 76 17.414 0.215 1.706 1.00 0.00 H new ATOM 0 HA LEU A 76 15.157 1.305 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.642 -0.632 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.771 -1.672 0.235 1.00 0.00 H new ATOM 0 HG LEU A 76 13.252 -0.182 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.259 -1.615 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.558 -0.561 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.877 -2.287 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.206 -2.390 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.801 -3.160 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.510 -2.010 1.700 1.00 0.00 H new ATOM 1392 N PHE A 77 14.093 1.127 2.493 1.00 0.00 N ATOM 1393 CA PHE A 77 13.430 1.102 3.786 1.00 0.00 C ATOM 1394 C PHE A 77 11.948 1.397 3.575 1.00 0.00 C ATOM 1395 O PHE A 77 11.575 2.148 2.667 1.00 0.00 O ATOM 1396 CB PHE A 77 14.095 2.097 4.747 1.00 0.00 C ATOM 1397 CG PHE A 77 15.506 1.685 5.120 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.714 0.509 5.865 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.613 2.412 4.645 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.018 0.053 6.113 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.920 1.969 4.916 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.123 0.783 5.643 1.00 0.00 C ATOM 0 H PHE A 77 13.765 1.883 1.891 1.00 0.00 H new ATOM 0 HA PHE A 77 13.524 0.118 4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.118 3.084 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.493 2.182 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.868 -0.044 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.459 3.313 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.173 -0.861 6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.767 2.540 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.126 0.434 5.840 1.00 0.00 H new ATOM 1412 N PHE A 78 11.104 0.779 4.399 1.00 0.00 N ATOM 1413 CA PHE A 78 9.651 0.910 4.377 1.00 0.00 C ATOM 1414 C PHE A 78 9.166 1.092 5.814 1.00 0.00 C ATOM 1415 O PHE A 78 9.784 0.562 6.743 1.00 0.00 O ATOM 1416 CB PHE A 78 9.008 -0.346 3.755 1.00 0.00 C ATOM 1417 CG PHE A 78 8.900 -0.353 2.238 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.050 -0.463 1.435 1.00 0.00 C ATOM 1419 CD2 PHE A 78 7.639 -0.242 1.621 1.00 0.00 C ATOM 1420 CE1 PHE A 78 9.940 -0.396 0.036 1.00 0.00 C ATOM 1421 CE2 PHE A 78 7.526 -0.202 0.220 1.00 0.00 C ATOM 1422 CZ PHE A 78 8.684 -0.254 -0.573 1.00 0.00 C ATOM 0 H PHE A 78 11.429 0.147 5.131 1.00 0.00 H new ATOM 0 HA PHE A 78 9.365 1.770 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.586 -1.217 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.008 -0.463 4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.018 -0.599 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.749 -0.187 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 78 10.829 -0.454 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.553 -0.132 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.608 -0.185 -1.648 1.00 0.00 H new ATOM 1432 N PHE A 79 8.053 1.804 5.989 1.00 0.00 N ATOM 1433 CA PHE A 79 7.411 2.093 7.268 1.00 0.00 C ATOM 1434 C PHE A 79 5.906 1.951 7.069 1.00 0.00 C ATOM 1435 O PHE A 79 5.389 2.331 6.020 1.00 0.00 O ATOM 1436 CB PHE A 79 7.765 3.519 7.729 1.00 0.00 C ATOM 1437 CG PHE A 79 9.246 3.805 7.924 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.050 2.911 8.652 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.826 4.974 7.397 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.425 3.157 8.826 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.196 5.229 7.591 1.00 0.00 C ATOM 1442 CZ PHE A 79 12.003 4.313 8.282 1.00 0.00 C ATOM 0 H PHE A 79 7.551 2.215 5.202 1.00 0.00 H new ATOM 0 HA PHE A 79 7.756 1.402 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.372 4.225 6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.250 3.714 8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.608 2.025 9.083 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.219 5.675 6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.034 2.456 9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.631 6.139 7.204 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.061 4.497 8.394 1.00 0.00 H new ATOM 1452 N VAL A 80 5.194 1.400 8.047 1.00 0.00 N ATOM 1453 CA VAL A 80 3.746 1.198 8.008 1.00 0.00 C ATOM 1454 C VAL A 80 3.216 1.776 9.313 1.00 0.00 C ATOM 1455 O VAL A 80 3.726 1.421 10.378 1.00 0.00 O ATOM 1456 CB VAL A 80 3.407 -0.291 7.769 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.202 -1.264 8.651 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.914 -0.565 7.934 1.00 0.00 C ATOM 0 H VAL A 80 5.619 1.072 8.914 1.00 0.00 H new ATOM 0 HA VAL A 80 3.263 1.707 7.174 1.00 0.00 H new ATOM 0 HB VAL A 80 3.704 -0.476 6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.906 -2.288 8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.268 -1.143 8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.998 -1.053 9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.716 -1.622 7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.605 -0.302 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.353 0.033 7.216 1.00 0.00 H new ATOM 1468 N ASN A 81 2.246 2.695 9.236 1.00 0.00 N ATOM 1469 CA ASN A 81 1.645 3.369 10.393 1.00 0.00 C ATOM 1470 C ASN A 81 2.744 3.839 11.369 1.00 0.00 C ATOM 1471 O ASN A 81 2.660 3.660 12.582 1.00 0.00 O ATOM 1472 CB ASN A 81 0.564 2.474 11.021 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.204 3.174 12.140 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.803 4.229 11.935 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.230 2.597 13.331 1.00 0.00 N ATOM 0 H ASN A 81 1.848 2.998 8.347 1.00 0.00 H new ATOM 0 HA ASN A 81 1.129 4.277 10.082 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.136 2.160 10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.030 1.571 11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.752 3.027 14.095 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.272 1.722 13.485 1.00 0.00 H new ATOM 1482 N ASN A 82 3.823 4.417 10.821 1.00 0.00 N ATOM 1483 CA ASN A 82 5.013 4.946 11.497 1.00 0.00 C ATOM 1484 C ASN A 82 5.840 3.907 12.274 1.00 0.00 C ATOM 1485 O ASN A 82 6.710 4.320 13.049 1.00 0.00 O ATOM 1486 CB ASN A 82 4.715 6.179 12.387 1.00 0.00 C ATOM 1487 CG ASN A 82 3.543 7.041 11.943 1.00 0.00 C ATOM 1488 OD1 ASN A 82 3.603 7.738 10.932 1.00 0.00 O ATOM 1489 ND2 ASN A 82 2.432 6.973 12.655 1.00 0.00 N ATOM 0 H ASN A 82 3.889 4.535 9.810 1.00 0.00 H new ATOM 0 HA ASN A 82 5.639 5.269 10.665 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.525 5.834 13.403 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.608 6.803 12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.609 7.503 12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.397 6.390 13.492 1.00 0.00 H new ATOM 1496 N THR A 83 5.655 2.607 12.050 1.00 0.00 N ATOM 1497 CA THR A 83 6.326 1.491 12.722 1.00 0.00 C ATOM 1498 C THR A 83 7.140 0.634 11.740 1.00 0.00 C ATOM 1499 O THR A 83 6.865 0.619 10.533 1.00 0.00 O ATOM 1500 CB THR A 83 5.248 0.690 13.475 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.520 1.566 14.319 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.787 -0.432 14.363 1.00 0.00 C ATOM 0 H THR A 83 4.989 2.282 11.349 1.00 0.00 H new ATOM 0 HA THR A 83 7.062 1.862 13.435 1.00 0.00 H new ATOM 0 HB THR A 83 4.637 0.232 12.697 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.831 1.060 14.799 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.956 -0.940 14.852 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.339 -1.146 13.752 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.451 -0.011 15.118 1.00 0.00 H new ATOM 1510 N ILE A 84 8.171 -0.048 12.258 1.00 0.00 N ATOM 1511 CA ILE A 84 9.087 -0.917 11.526 1.00 0.00 C ATOM 1512 C ILE A 84 8.780 -2.394 11.857 1.00 0.00 C ATOM 1513 O ILE A 84 9.312 -2.908 12.845 1.00 0.00 O ATOM 1514 CB ILE A 84 10.557 -0.547 11.870 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.825 0.970 11.759 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.498 -1.330 10.935 1.00 0.00 C ATOM 1517 CD1 ILE A 84 12.246 1.418 12.109 1.00 0.00 C ATOM 0 H ILE A 84 8.395 -0.002 13.252 1.00 0.00 H new ATOM 0 HA ILE A 84 8.951 -0.776 10.454 1.00 0.00 H new ATOM 0 HB ILE A 84 10.743 -0.819 12.909 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.604 1.286 10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.127 1.493 12.413 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.533 -1.079 11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.344 -2.400 11.076 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.284 -1.066 9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.324 2.499 11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.471 1.142 13.139 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.956 0.932 11.440 1.00 0.00 H new ATOM 1529 N PRO A 85 7.929 -3.104 11.094 1.00 0.00 N ATOM 1530 CA PRO A 85 7.631 -4.512 11.359 1.00 0.00 C ATOM 1531 C PRO A 85 8.820 -5.382 10.907 1.00 0.00 C ATOM 1532 O PRO A 85 9.603 -4.942 10.058 1.00 0.00 O ATOM 1533 CB PRO A 85 6.388 -4.814 10.518 1.00 0.00 C ATOM 1534 CG PRO A 85 6.581 -3.909 9.304 1.00 0.00 C ATOM 1535 CD PRO A 85 7.217 -2.655 9.909 1.00 0.00 C ATOM 0 HA PRO A 85 7.463 -4.719 12.416 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.335 -5.865 10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.469 -4.581 11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.227 -4.369 8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.634 -3.685 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.897 -2.181 9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.458 -1.916 10.166 1.00 0.00 H new ATOM 1543 N PRO A 86 8.966 -6.623 11.398 1.00 0.00 N ATOM 1544 CA PRO A 86 10.068 -7.486 10.996 1.00 0.00 C ATOM 1545 C PRO A 86 9.854 -8.052 9.587 1.00 0.00 C ATOM 1546 O PRO A 86 8.727 -8.288 9.151 1.00 0.00 O ATOM 1547 CB PRO A 86 10.114 -8.596 12.050 1.00 0.00 C ATOM 1548 CG PRO A 86 8.671 -8.697 12.533 1.00 0.00 C ATOM 1549 CD PRO A 86 8.135 -7.272 12.398 1.00 0.00 C ATOM 0 HA PRO A 86 11.010 -6.941 10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.461 -9.538 11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.793 -8.346 12.866 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.096 -9.399 11.929 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.619 -9.047 13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.089 -7.276 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.187 -6.744 13.350 1.00 0.00 H new ATOM 1557 N THR A 87 10.951 -8.345 8.892 1.00 0.00 N ATOM 1558 CA THR A 87 10.970 -8.898 7.541 1.00 0.00 C ATOM 1559 C THR A 87 10.297 -10.275 7.460 1.00 0.00 C ATOM 1560 O THR A 87 9.843 -10.661 6.380 1.00 0.00 O ATOM 1561 CB THR A 87 12.427 -8.975 7.039 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.283 -9.556 8.013 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.985 -7.590 6.702 1.00 0.00 C ATOM 0 H THR A 87 11.887 -8.198 9.270 1.00 0.00 H new ATOM 0 HA THR A 87 10.393 -8.232 6.900 1.00 0.00 H new ATOM 0 HB THR A 87 12.401 -9.594 6.142 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.198 -9.592 7.664 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.013 -7.687 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.377 -7.133 5.921 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.963 -6.962 7.593 1.00 0.00 H new ATOM 1571 N SER A 88 10.231 -11.019 8.572 1.00 0.00 N ATOM 1572 CA SER A 88 9.608 -12.335 8.612 1.00 0.00 C ATOM 1573 C SER A 88 8.092 -12.245 8.820 1.00 0.00 C ATOM 1574 O SER A 88 7.410 -13.260 8.665 1.00 0.00 O ATOM 1575 CB SER A 88 10.271 -13.180 9.708 1.00 0.00 C ATOM 1576 OG SER A 88 10.124 -14.563 9.449 1.00 0.00 O ATOM 0 H SER A 88 10.612 -10.718 9.469 1.00 0.00 H new ATOM 0 HA SER A 88 9.760 -12.818 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.330 -12.930 9.772 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.828 -12.939 10.674 1.00 0.00 H new ATOM 0 HG SER A 88 9.214 -14.741 9.131 1.00 0.00 H new ATOM 1582 N ALA A 89 7.549 -11.080 9.206 1.00 0.00 N ATOM 1583 CA ALA A 89 6.112 -10.950 9.401 1.00 0.00 C ATOM 1584 C ALA A 89 5.407 -11.102 8.051 1.00 0.00 C ATOM 1585 O ALA A 89 6.035 -11.172 6.991 1.00 0.00 O ATOM 1586 CB ALA A 89 5.758 -9.613 10.070 1.00 0.00 C ATOM 0 H ALA A 89 8.082 -10.229 9.385 1.00 0.00 H new ATOM 0 HA ALA A 89 5.770 -11.738 10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.678 -9.547 10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.246 -9.552 11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.098 -8.790 9.441 1.00 0.00 H new ATOM 1592 N THR A 90 4.085 -11.114 8.078 1.00 0.00 N ATOM 1593 CA THR A 90 3.240 -11.237 6.908 1.00 0.00 C ATOM 1594 C THR A 90 2.405 -9.968 6.777 1.00 0.00 C ATOM 1595 O THR A 90 2.188 -9.252 7.760 1.00 0.00 O ATOM 1596 CB THR A 90 2.360 -12.497 7.066 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.845 -12.611 8.388 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.166 -13.764 6.769 1.00 0.00 C ATOM 0 H THR A 90 3.555 -11.036 8.946 1.00 0.00 H new ATOM 0 HA THR A 90 3.829 -11.349 5.998 1.00 0.00 H new ATOM 0 HB THR A 90 1.538 -12.394 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.291 -13.417 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.526 -14.638 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.542 -13.725 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.005 -13.833 7.462 1.00 0.00 H new ATOM 1606 N MET A 91 1.913 -9.703 5.564 1.00 0.00 N ATOM 1607 CA MET A 91 1.050 -8.567 5.259 1.00 0.00 C ATOM 1608 C MET A 91 -0.132 -8.584 6.239 1.00 0.00 C ATOM 1609 O MET A 91 -0.559 -7.526 6.693 1.00 0.00 O ATOM 1610 CB MET A 91 0.559 -8.668 3.800 1.00 0.00 C ATOM 1611 CG MET A 91 1.457 -7.911 2.813 1.00 0.00 C ATOM 1612 SD MET A 91 1.579 -6.105 3.031 1.00 0.00 S ATOM 1613 CE MET A 91 -0.136 -5.639 3.381 1.00 0.00 C ATOM 0 H MET A 91 2.110 -10.287 4.751 1.00 0.00 H new ATOM 0 HA MET A 91 1.595 -7.629 5.367 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.513 -9.718 3.510 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.455 -8.274 3.735 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.461 -8.330 2.878 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.094 -8.108 1.804 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.206 -4.556 3.481 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.777 -5.970 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.459 -6.110 4.309 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.596 -9.780 6.609 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.679 -10.035 7.532 1.00 0.00 C ATOM 1625 C GLY A 92 -1.432 -9.430 8.910 1.00 0.00 C ATOM 1626 O GLY A 92 -2.346 -8.810 9.445 1.00 0.00 O ATOM 0 H GLY A 92 -0.193 -10.643 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.604 -9.629 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.820 -11.111 7.632 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.225 -9.572 9.480 1.00 0.00 N ATOM 1631 CA GLN A 93 0.098 -9.042 10.806 1.00 0.00 C ATOM 1632 C GLN A 93 -0.053 -7.526 10.834 1.00 0.00 C ATOM 1633 O GLN A 93 -0.669 -6.990 11.752 1.00 0.00 O ATOM 1634 CB GLN A 93 1.518 -9.463 11.241 1.00 0.00 C ATOM 1635 CG GLN A 93 2.136 -8.669 12.417 1.00 0.00 C ATOM 1636 CD GLN A 93 1.451 -8.847 13.778 1.00 0.00 C ATOM 1637 OE1 GLN A 93 1.949 -9.571 14.635 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.322 -8.217 14.046 1.00 0.00 N ATOM 0 H GLN A 93 0.552 -10.058 9.031 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.609 -9.466 11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.494 -10.518 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.181 -9.372 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.182 -8.960 12.517 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.123 -7.609 12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.104 -7.612 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.125 -8.335 14.955 1.00 0.00 H new ATOM 1647 N LEU A 94 0.560 -6.818 9.890 1.00 0.00 N ATOM 1648 CA LEU A 94 0.455 -5.364 9.879 1.00 0.00 C ATOM 1649 C LEU A 94 -0.987 -4.952 9.566 1.00 0.00 C ATOM 1650 O LEU A 94 -1.532 -4.072 10.219 1.00 0.00 O ATOM 1651 CB LEU A 94 1.564 -4.733 9.020 1.00 0.00 C ATOM 1652 CG LEU A 94 1.740 -5.269 7.586 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.894 -4.492 6.583 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.206 -5.174 7.148 1.00 0.00 C ATOM 0 H LEU A 94 1.123 -7.217 9.138 1.00 0.00 H new ATOM 0 HA LEU A 94 0.649 -4.948 10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.374 -3.661 8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.511 -4.859 9.546 1.00 0.00 H new ATOM 0 HG LEU A 94 1.415 -6.309 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.047 -4.901 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.159 -4.576 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.189 -3.443 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.308 -5.558 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.528 -4.133 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.826 -5.764 7.823 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.657 -5.641 8.642 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.037 -5.356 8.268 1.00 0.00 C ATOM 1668 C TYR A 95 -3.962 -5.491 9.483 1.00 0.00 C ATOM 1669 O TYR A 95 -4.787 -4.607 9.700 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.401 -6.284 7.104 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.863 -6.492 6.736 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.767 -5.414 6.634 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.287 -7.788 6.380 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.063 -5.621 6.119 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -6.576 -8.005 5.868 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.458 -6.916 5.708 1.00 0.00 C ATOM 1677 OH TYR A 95 -8.665 -7.120 5.118 1.00 0.00 O ATOM 0 H TYR A 95 -1.249 -6.422 8.128 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.159 -4.326 7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.892 -5.909 6.216 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.978 -7.264 7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.465 -4.427 6.951 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.613 -8.623 6.502 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.752 -4.793 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.891 -9.002 5.598 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.531 -7.434 4.199 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.863 -6.580 10.251 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.683 -6.798 11.439 1.00 0.00 C ATOM 1689 C GLU A 96 -4.319 -5.863 12.598 1.00 0.00 C ATOM 1690 O GLU A 96 -5.184 -5.529 13.398 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.652 -8.266 11.899 1.00 0.00 C ATOM 1692 CG GLU A 96 -3.354 -8.683 12.608 1.00 0.00 C ATOM 1693 CD GLU A 96 -3.407 -10.104 13.143 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.104 -10.319 14.161 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -2.711 -11.002 12.608 1.00 0.00 O ATOM 0 H GLU A 96 -3.207 -7.338 10.062 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.702 -6.556 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.491 -8.441 12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.800 -8.909 11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.520 -8.592 11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.158 -7.996 13.432 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.054 -5.452 12.713 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.588 -4.582 13.796 1.00 0.00 C ATOM 1704 C ASP A 97 -2.939 -3.120 13.552 1.00 0.00 C ATOM 1705 O ASP A 97 -3.250 -2.386 14.490 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.072 -4.732 13.951 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.512 -3.867 15.078 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.089 -3.860 16.181 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.572 -3.263 14.879 1.00 0.00 O ATOM 0 H ASP A 97 -2.321 -5.714 12.055 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.094 -4.889 14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.831 -5.777 14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.585 -4.462 13.014 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.892 -2.694 12.293 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.196 -1.339 11.834 1.00 0.00 C ATOM 1716 C ASN A 98 -4.653 -1.242 11.376 1.00 0.00 C ATOM 1717 O ASN A 98 -5.071 -0.176 10.931 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.262 -0.929 10.679 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.780 -1.121 10.974 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.024 -1.605 10.143 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.313 -0.775 12.160 1.00 0.00 N ATOM 0 H ASN A 98 -2.628 -3.313 11.527 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.039 -0.659 12.671 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.522 -1.509 9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.440 0.119 10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.674 -0.912 12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.939 -0.371 12.857 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.410 -2.341 11.468 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.803 -2.504 11.078 1.00 0.00 C ATOM 1730 C HIS A 99 -7.659 -1.264 11.310 1.00 0.00 C ATOM 1731 O HIS A 99 -7.673 -0.691 12.401 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.413 -3.730 11.765 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.601 -3.630 13.262 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -6.837 -2.911 14.163 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -8.595 -4.246 13.968 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -7.375 -3.075 15.379 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -8.436 -3.901 15.314 1.00 0.00 N ATOM 0 H HIS A 99 -5.027 -3.206 11.849 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.800 -2.659 9.999 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.383 -3.931 11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.779 -4.591 11.556 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.365 -4.884 13.560 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.009 -2.611 16.283 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -9.012 -4.214 16.095 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.386 -0.848 10.282 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.272 0.302 10.320 1.00 0.00 C ATOM 1747 C GLU A 100 -10.677 -0.204 9.996 1.00 0.00 C ATOM 1748 O GLU A 100 -10.846 -1.310 9.468 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.731 1.380 9.360 1.00 0.00 C ATOM 1750 CG GLU A 100 -9.352 2.786 9.507 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.919 3.493 10.793 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -9.220 2.972 11.891 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -8.239 4.543 10.739 1.00 0.00 O ATOM 0 H GLU A 100 -8.374 -1.315 9.375 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.319 0.783 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.654 1.462 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.888 1.040 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.068 3.395 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.439 2.702 9.492 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.691 0.615 10.261 1.00 0.00 N ATOM 1761 CA GLU A 101 -13.087 0.262 10.032 1.00 0.00 C ATOM 1762 C GLU A 101 -13.433 0.295 8.539 1.00 0.00 C ATOM 1763 O GLU A 101 -14.478 -0.207 8.130 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.945 1.257 10.836 1.00 0.00 C ATOM 1765 CG GLU A 101 -15.441 0.924 10.912 1.00 0.00 C ATOM 1766 CD GLU A 101 -15.687 -0.499 11.412 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -15.183 -0.857 12.495 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -16.376 -1.270 10.695 1.00 0.00 O ATOM 0 H GLU A 101 -11.564 1.552 10.645 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.283 -0.758 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.551 1.314 11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.832 2.247 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.937 1.632 11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.890 1.044 9.926 1.00 0.00 H new ATOM 1775 N ASP A 102 -12.571 0.878 7.712 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.725 0.981 6.267 1.00 0.00 C ATOM 1777 C ASP A 102 -11.848 -0.061 5.548 1.00 0.00 C ATOM 1778 O ASP A 102 -11.924 -0.172 4.328 1.00 0.00 O ATOM 1779 CB ASP A 102 -12.371 2.398 5.813 1.00 0.00 C ATOM 1780 CG ASP A 102 -10.870 2.479 5.596 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -10.157 2.085 6.541 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -10.463 2.772 4.456 1.00 0.00 O ATOM 0 H ASP A 102 -11.709 1.310 8.046 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.763 0.776 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.900 2.643 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.684 3.124 6.563 1.00 0.00 H new ATOM 1787 N TYR A 103 -11.036 -0.828 6.287 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.156 -1.887 5.794 1.00 0.00 C ATOM 1789 C TYR A 103 -8.945 -1.448 4.945 1.00 0.00 C ATOM 1790 O TYR A 103 -8.448 -2.286 4.191 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.014 -2.973 5.097 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.264 -3.373 5.871 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.171 -4.091 7.078 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.523 -2.924 5.433 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.323 -4.336 7.851 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.683 -3.181 6.180 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.582 -3.872 7.406 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.709 -4.068 8.147 1.00 0.00 O ATOM 0 H TYR A 103 -10.975 -0.718 7.299 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.663 -2.296 6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.310 -2.610 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.399 -3.859 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.211 -4.456 7.413 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.598 -2.373 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.244 -4.877 8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.646 -2.852 5.819 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.479 -3.679 7.681 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.395 -0.230 5.077 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.237 0.196 4.264 1.00 0.00 C ATOM 1810 C PHE A 104 -5.918 0.059 5.025 1.00 0.00 C ATOM 1811 O PHE A 104 -5.918 0.084 6.258 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.368 1.655 3.767 1.00 0.00 C ATOM 1813 CG PHE A 104 -6.815 2.754 4.682 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.174 2.800 6.041 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -5.879 3.695 4.201 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -6.599 3.737 6.910 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -5.288 4.627 5.077 1.00 0.00 C ATOM 1818 CZ PHE A 104 -5.641 4.642 6.435 1.00 0.00 C ATOM 0 H PHE A 104 -8.729 0.475 5.734 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.230 -0.473 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.864 1.731 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.424 1.860 3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.905 2.102 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.614 3.701 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.895 3.761 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.561 5.332 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.177 5.347 7.109 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.799 -0.099 4.303 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.461 -0.212 4.893 1.00 0.00 C ATOM 1830 C LEU A 105 -2.557 0.857 4.268 1.00 0.00 C ATOM 1831 O LEU A 105 -2.469 0.934 3.042 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.941 -1.634 4.652 1.00 0.00 C ATOM 1833 CG LEU A 105 -1.740 -2.123 5.488 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -0.411 -1.639 4.882 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -1.835 -1.741 6.966 1.00 0.00 C ATOM 0 H LEU A 105 -4.799 -0.152 3.284 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.479 -0.041 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.768 -2.324 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.669 -1.715 3.600 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.769 -3.212 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.419 -1.998 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.311 -2.026 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.398 -0.549 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.959 -2.116 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.879 -0.656 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.735 -2.179 7.398 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.866 1.654 5.085 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.970 2.733 4.666 1.00 0.00 C ATOM 1849 C TYR A 106 0.500 2.354 4.850 1.00 0.00 C ATOM 1850 O TYR A 106 0.926 2.008 5.949 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.280 3.986 5.510 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.329 5.164 5.333 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.891 5.220 6.038 1.00 0.00 C ATOM 1854 CD2 TYR A 106 -0.691 6.241 4.509 1.00 0.00 C ATOM 1855 CE1 TYR A 106 1.751 6.324 5.900 1.00 0.00 C ATOM 1856 CE2 TYR A 106 0.166 7.342 4.354 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.390 7.395 5.055 1.00 0.00 C ATOM 1858 OH TYR A 106 2.186 8.492 4.955 1.00 0.00 O ATOM 0 H TYR A 106 -1.918 1.561 6.099 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.135 2.925 3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.289 4.320 5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.280 3.700 6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.168 4.406 6.691 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.638 6.223 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.686 6.352 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.112 8.152 3.696 1.00 0.00 H new ATOM 0 HH TYR A 106 1.786 9.130 4.328 1.00 0.00 H new ATOM 1868 N VAL A 107 1.312 2.453 3.796 1.00 0.00 N ATOM 1869 CA VAL A 107 2.740 2.155 3.869 1.00 0.00 C ATOM 1870 C VAL A 107 3.502 3.249 3.110 1.00 0.00 C ATOM 1871 O VAL A 107 3.004 3.796 2.119 1.00 0.00 O ATOM 1872 CB VAL A 107 3.015 0.699 3.428 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.784 0.450 1.937 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.435 0.238 3.775 1.00 0.00 C ATOM 0 H VAL A 107 0.997 2.742 2.870 1.00 0.00 H new ATOM 0 HA VAL A 107 3.114 2.185 4.892 1.00 0.00 H new ATOM 0 HB VAL A 107 2.287 0.116 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.998 -0.593 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.746 0.672 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.443 1.094 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.575 -0.791 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.159 0.882 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.583 0.295 4.853 1.00 0.00 H new ATOM 1884 N ALA A 108 4.691 3.601 3.594 1.00 0.00 N ATOM 1885 CA ALA A 108 5.572 4.606 3.022 1.00 0.00 C ATOM 1886 C ALA A 108 6.923 3.968 2.705 1.00 0.00 C ATOM 1887 O ALA A 108 7.297 2.992 3.367 1.00 0.00 O ATOM 1888 CB ALA A 108 5.728 5.777 3.995 1.00 0.00 C ATOM 0 H ALA A 108 5.080 3.172 4.433 1.00 0.00 H new ATOM 0 HA ALA A 108 5.144 4.993 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.389 6.526 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.752 6.223 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.154 5.417 4.932 1.00 0.00 H new ATOM 1894 N TYR A 109 7.637 4.498 1.707 1.00 0.00 N ATOM 1895 CA TYR A 109 8.946 3.995 1.289 1.00 0.00 C ATOM 1896 C TYR A 109 9.926 5.128 0.974 1.00 0.00 C ATOM 1897 O TYR A 109 9.504 6.209 0.553 1.00 0.00 O ATOM 1898 CB TYR A 109 8.772 3.052 0.088 1.00 0.00 C ATOM 1899 CG TYR A 109 8.498 3.693 -1.264 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.223 4.212 -1.556 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.504 3.740 -2.249 1.00 0.00 C ATOM 1902 CE1 TYR A 109 6.960 4.823 -2.796 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.247 4.332 -3.498 1.00 0.00 C ATOM 1904 CZ TYR A 109 7.984 4.903 -3.766 1.00 0.00 C ATOM 1905 OH TYR A 109 7.769 5.521 -4.964 1.00 0.00 O ATOM 0 H TYR A 109 7.317 5.298 1.161 1.00 0.00 H new ATOM 0 HA TYR A 109 9.381 3.438 2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.675 2.448 -0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.952 2.369 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.437 4.140 -0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.477 3.319 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.981 5.228 -3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.018 4.350 -4.254 1.00 0.00 H new ATOM 0 HH TYR A 109 8.586 5.480 -5.504 1.00 0.00 H new ATOM 1915 N SER A 110 11.221 4.874 1.181 1.00 0.00 N ATOM 1916 CA SER A 110 12.316 5.803 0.921 1.00 0.00 C ATOM 1917 C SER A 110 13.611 5.012 0.755 1.00 0.00 C ATOM 1918 O SER A 110 13.683 3.843 1.150 1.00 0.00 O ATOM 1919 CB SER A 110 12.477 6.806 2.059 1.00 0.00 C ATOM 1920 OG SER A 110 13.018 8.024 1.590 1.00 0.00 O ATOM 0 H SER A 110 11.544 3.979 1.549 1.00 0.00 H new ATOM 0 HA SER A 110 12.089 6.358 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.509 6.990 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.127 6.388 2.828 1.00 0.00 H new ATOM 0 HG SER A 110 13.110 8.651 2.338 1.00 0.00 H new ATOM 1926 N ASP A 111 14.619 5.634 0.150 1.00 0.00 N ATOM 1927 CA ASP A 111 15.914 5.001 -0.081 1.00 0.00 C ATOM 1928 C ASP A 111 16.681 4.869 1.227 1.00 0.00 C ATOM 1929 O ASP A 111 17.095 3.777 1.602 1.00 0.00 O ATOM 1930 CB ASP A 111 16.718 5.787 -1.129 1.00 0.00 C ATOM 1931 CG ASP A 111 17.776 4.916 -1.816 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.901 4.764 -1.289 1.00 0.00 O ATOM 1933 OD2 ASP A 111 17.471 4.459 -2.943 1.00 0.00 O ATOM 0 H ASP A 111 14.561 6.592 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 111 15.750 3.997 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.038 6.190 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 111 17.204 6.637 -0.650 1.00 0.00 H new ATOM 1938 N GLU A 112 16.802 5.970 1.966 1.00 0.00 N ATOM 1939 CA GLU A 112 17.516 6.034 3.230 1.00 0.00 C ATOM 1940 C GLU A 112 16.561 6.262 4.401 1.00 0.00 C ATOM 1941 O GLU A 112 15.441 6.757 4.228 1.00 0.00 O ATOM 1942 CB GLU A 112 18.631 7.089 3.120 1.00 0.00 C ATOM 1943 CG GLU A 112 18.215 8.480 2.607 1.00 0.00 C ATOM 1944 CD GLU A 112 19.438 9.380 2.391 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.384 9.318 3.211 1.00 0.00 O ATOM 1946 OE2 GLU A 112 19.455 10.143 1.400 1.00 0.00 O ATOM 0 H GLU A 112 16.394 6.863 1.691 1.00 0.00 H new ATOM 0 HA GLU A 112 17.991 5.076 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.084 7.210 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.405 6.699 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.667 8.376 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.538 8.947 3.323 1.00 0.00 H new ATOM 1953 N SER A 113 16.923 5.745 5.580 1.00 0.00 N ATOM 1954 CA SER A 113 16.110 5.918 6.774 1.00 0.00 C ATOM 1955 C SER A 113 16.340 7.344 7.279 1.00 0.00 C ATOM 1956 O SER A 113 17.282 7.572 8.042 1.00 0.00 O ATOM 1957 CB SER A 113 16.425 4.818 7.806 1.00 0.00 C ATOM 1958 OG SER A 113 17.798 4.464 7.870 1.00 0.00 O ATOM 0 H SER A 113 17.775 5.204 5.726 1.00 0.00 H new ATOM 0 HA SER A 113 15.046 5.803 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.101 5.154 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.842 3.929 7.564 1.00 0.00 H new ATOM 0 HG SER A 113 17.924 3.764 8.544 1.00 0.00 H new ATOM 1964 N VAL A 114 15.452 8.282 6.941 1.00 0.00 N ATOM 1965 CA VAL A 114 15.549 9.674 7.363 1.00 0.00 C ATOM 1966 C VAL A 114 14.126 10.224 7.481 1.00 0.00 C ATOM 1967 O VAL A 114 13.416 10.276 6.473 1.00 0.00 O ATOM 1968 CB VAL A 114 16.407 10.527 6.393 1.00 0.00 C ATOM 1969 CG1 VAL A 114 16.635 11.913 7.020 1.00 0.00 C ATOM 1970 CG2 VAL A 114 17.797 9.946 6.079 1.00 0.00 C ATOM 0 H VAL A 114 14.637 8.090 6.359 1.00 0.00 H new ATOM 0 HA VAL A 114 16.058 9.726 8.325 1.00 0.00 H new ATOM 0 HB VAL A 114 15.846 10.557 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.238 12.522 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.674 12.399 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.155 11.801 7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.323 10.611 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.369 9.851 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 114 17.685 8.964 5.618 1.00 0.00 H new ATOM 1980 N TYR A 115 13.688 10.558 8.698 1.00 0.00 N ATOM 1981 CA TYR A 115 12.360 11.117 8.933 1.00 0.00 C ATOM 1982 C TYR A 115 12.357 12.506 8.318 1.00 0.00 C ATOM 1983 O TYR A 115 13.274 13.297 8.628 1.00 0.00 O ATOM 1984 CB TYR A 115 12.045 11.159 10.437 1.00 0.00 C ATOM 1985 CG TYR A 115 10.674 11.683 10.854 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.610 11.840 9.940 1.00 0.00 C ATOM 1987 CD2 TYR A 115 10.470 12.023 12.203 1.00 0.00 C ATOM 1988 CE1 TYR A 115 8.380 12.378 10.359 1.00 0.00 C ATOM 1989 CE2 TYR A 115 9.244 12.556 12.634 1.00 0.00 C ATOM 1990 CZ TYR A 115 8.198 12.757 11.708 1.00 0.00 C ATOM 1991 OH TYR A 115 7.023 13.301 12.136 1.00 0.00 O ATOM 0 H TYR A 115 14.245 10.448 9.545 1.00 0.00 H new ATOM 0 HA TYR A 115 11.585 10.501 8.478 1.00 0.00 H new ATOM 0 HB2 TYR A 115 12.154 10.149 10.832 1.00 0.00 H new ATOM 0 HB3 TYR A 115 12.802 11.774 10.923 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.742 11.544 8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 115 11.266 11.872 12.917 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.575 12.501 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.102 12.812 13.674 1.00 0.00 H new ATOM 0 HH TYR A 115 7.083 13.497 13.094 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -24.494 8.344 -1.147 1.00 0.00 N ATOM 2003 CA GLY B 722 -25.175 8.501 -2.436 1.00 0.00 C ATOM 2004 C GLY B 722 -25.699 7.171 -2.952 1.00 0.00 C ATOM 2005 O GLY B 722 -25.874 6.223 -2.182 1.00 0.00 O ATOM 0 HA2 GLY B 722 -26.002 9.203 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -24.486 8.929 -3.164 1.00 0.00 H new ATOM 2009 N ALA B 723 -25.990 7.095 -4.249 1.00 0.00 N ATOM 2010 CA ALA B 723 -26.509 5.914 -4.921 1.00 0.00 C ATOM 2011 C ALA B 723 -25.376 4.989 -5.363 1.00 0.00 C ATOM 2012 O ALA B 723 -24.217 5.409 -5.444 1.00 0.00 O ATOM 2013 CB ALA B 723 -27.309 6.375 -6.148 1.00 0.00 C ATOM 0 H ALA B 723 -25.865 7.886 -4.881 1.00 0.00 H new ATOM 0 HA ALA B 723 -27.144 5.357 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -27.709 5.505 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -28.131 7.015 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -26.656 6.932 -6.820 1.00 0.00 H new ATOM 2019 N MET B 724 -25.705 3.739 -5.682 1.00 0.00 N ATOM 2020 CA MET B 724 -24.749 2.743 -6.154 1.00 0.00 C ATOM 2021 C MET B 724 -24.770 2.785 -7.685 1.00 0.00 C ATOM 2022 O MET B 724 -25.850 2.935 -8.265 1.00 0.00 O ATOM 2023 CB MET B 724 -25.127 1.356 -5.613 1.00 0.00 C ATOM 2024 CG MET B 724 -24.031 0.323 -5.893 1.00 0.00 C ATOM 2025 SD MET B 724 -22.423 0.713 -5.145 1.00 0.00 S ATOM 2026 CE MET B 724 -21.440 -0.598 -5.912 1.00 0.00 C ATOM 0 H MET B 724 -26.660 3.385 -5.618 1.00 0.00 H new ATOM 0 HA MET B 724 -23.741 2.955 -5.797 1.00 0.00 H new ATOM 0 HB2 MET B 724 -25.302 1.419 -4.539 1.00 0.00 H new ATOM 0 HB3 MET B 724 -26.061 1.029 -6.070 1.00 0.00 H new ATOM 0 HG2 MET B 724 -24.362 -0.649 -5.526 1.00 0.00 H new ATOM 0 HG3 MET B 724 -23.903 0.230 -6.972 1.00 0.00 H new ATOM 0 HE1 MET B 724 -20.445 -0.615 -5.467 1.00 0.00 H new ATOM 0 HE2 MET B 724 -21.927 -1.560 -5.750 1.00 0.00 H new ATOM 0 HE3 MET B 724 -21.355 -0.410 -6.982 1.00 0.00 H new ATOM 2036 N GLY B 725 -23.612 2.637 -8.333 1.00 0.00 N ATOM 2037 CA GLY B 725 -23.491 2.669 -9.789 1.00 0.00 C ATOM 2038 C GLY B 725 -22.499 1.657 -10.359 1.00 0.00 C ATOM 2039 O GLY B 725 -22.608 1.300 -11.536 1.00 0.00 O ATOM 0 H GLY B 725 -22.723 2.490 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -24.472 2.486 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -23.187 3.670 -10.095 1.00 0.00 H new ATOM 2043 N SER B 726 -21.504 1.213 -9.588 1.00 0.00 N ATOM 2044 CA SER B 726 -20.544 0.228 -10.070 1.00 0.00 C ATOM 2045 C SER B 726 -21.221 -1.139 -10.018 1.00 0.00 C ATOM 2046 O SER B 726 -22.035 -1.395 -9.123 1.00 0.00 O ATOM 2047 CB SER B 726 -19.286 0.248 -9.200 1.00 0.00 C ATOM 2048 OG SER B 726 -18.338 -0.665 -9.708 1.00 0.00 O ATOM 0 H SER B 726 -21.345 1.522 -8.629 1.00 0.00 H new ATOM 0 HA SER B 726 -20.238 0.454 -11.091 1.00 0.00 H new ATOM 0 HB2 SER B 726 -18.863 1.252 -9.180 1.00 0.00 H new ATOM 0 HB3 SER B 726 -19.540 -0.011 -8.172 1.00 0.00 H new ATOM 0 HG SER B 726 -18.317 -1.464 -9.141 1.00 0.00 H new ATOM 2054 N ALA B 727 -20.909 -2.008 -10.979 1.00 0.00 N ATOM 2055 CA ALA B 727 -21.472 -3.348 -11.032 1.00 0.00 C ATOM 2056 C ALA B 727 -20.513 -4.370 -10.420 1.00 0.00 C ATOM 2057 O ALA B 727 -20.971 -5.428 -9.976 1.00 0.00 O ATOM 2058 CB ALA B 727 -21.780 -3.728 -12.481 1.00 0.00 C ATOM 0 H ALA B 727 -20.261 -1.800 -11.738 1.00 0.00 H new ATOM 0 HA ALA B 727 -22.395 -3.353 -10.452 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -22.201 -4.733 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -22.497 -3.021 -12.898 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -20.861 -3.701 -13.067 1.00 0.00 H new ATOM 2064 N SER B 728 -19.216 -4.053 -10.376 1.00 0.00 N ATOM 2065 CA SER B 728 -18.159 -4.895 -9.852 1.00 0.00 C ATOM 2066 C SER B 728 -17.493 -4.244 -8.635 1.00 0.00 C ATOM 2067 O SER B 728 -18.047 -3.337 -8.010 1.00 0.00 O ATOM 2068 CB SER B 728 -17.155 -5.155 -10.986 1.00 0.00 C ATOM 2069 OG SER B 728 -16.378 -6.287 -10.658 1.00 0.00 O ATOM 0 H SER B 728 -18.868 -3.159 -10.723 1.00 0.00 H new ATOM 0 HA SER B 728 -18.566 -5.845 -9.505 1.00 0.00 H new ATOM 0 HB2 SER B 728 -17.682 -5.319 -11.926 1.00 0.00 H new ATOM 0 HB3 SER B 728 -16.513 -4.286 -11.128 1.00 0.00 H new ATOM 0 HG SER B 728 -15.735 -6.462 -11.377 1.00 0.00 H new ATOM 2075 N SER B 729 -16.375 -4.822 -8.196 1.00 0.00 N ATOM 2076 CA SER B 729 -15.567 -4.354 -7.086 1.00 0.00 C ATOM 2077 C SER B 729 -14.642 -3.233 -7.576 1.00 0.00 C ATOM 2078 O SER B 729 -14.618 -2.912 -8.763 1.00 0.00 O ATOM 2079 CB SER B 729 -14.811 -5.552 -6.482 1.00 0.00 C ATOM 2080 OG SER B 729 -14.219 -6.403 -7.451 1.00 0.00 O ATOM 0 H SER B 729 -15.997 -5.665 -8.628 1.00 0.00 H new ATOM 0 HA SER B 729 -16.182 -3.930 -6.292 1.00 0.00 H new ATOM 0 HB2 SER B 729 -14.033 -5.180 -5.815 1.00 0.00 H new ATOM 0 HB3 SER B 729 -15.501 -6.136 -5.873 1.00 0.00 H new ATOM 0 HG SER B 729 -13.755 -7.139 -7.000 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.905 -2.612 -6.656 1.00 0.00 N ATOM 2087 CA GLU B 730 -12.974 -1.549 -6.995 1.00 0.00 C ATOM 2088 C GLU B 730 -11.820 -2.153 -7.801 1.00 0.00 C ATOM 2089 O GLU B 730 -11.508 -3.344 -7.658 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.504 -0.891 -5.697 1.00 0.00 C ATOM 2091 CG GLU B 730 -11.573 0.317 -5.873 1.00 0.00 C ATOM 2092 CD GLU B 730 -12.171 1.456 -6.707 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -12.301 1.300 -7.942 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -12.501 2.530 -6.142 1.00 0.00 O ATOM 0 H GLU B 730 -13.940 -2.834 -5.661 1.00 0.00 H new ATOM 0 HA GLU B 730 -13.439 -0.779 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.380 -0.574 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.990 -1.640 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -11.308 0.703 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -10.649 -0.017 -6.344 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.175 -1.344 -8.637 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.078 -1.785 -9.484 1.00 0.00 C ATOM 2103 C ASP B 731 -8.798 -1.062 -9.098 1.00 0.00 C ATOM 2104 O ASP B 731 -8.645 0.123 -9.386 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.449 -1.602 -10.966 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.435 -2.661 -11.472 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.402 -3.828 -11.012 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -12.173 -2.395 -12.442 1.00 0.00 O ATOM 0 H ASP B 731 -11.403 -0.356 -8.744 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.896 -2.849 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.884 -0.612 -11.106 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.542 -1.640 -11.569 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.879 -1.773 -8.442 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.575 -1.297 -7.979 1.00 0.00 C ATOM 2115 C TYR B 732 -5.480 -2.164 -8.618 1.00 0.00 C ATOM 2116 O TYR B 732 -5.790 -3.082 -9.384 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.537 -1.291 -6.435 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.435 -0.288 -5.711 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.858 0.903 -6.337 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.778 -0.501 -4.359 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.582 1.870 -5.630 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.526 0.458 -3.645 1.00 0.00 C ATOM 2123 CZ TYR B 732 -8.912 1.662 -4.277 1.00 0.00 C ATOM 2124 OH TYR B 732 -9.582 2.633 -3.599 1.00 0.00 O ATOM 0 H TYR B 732 -8.034 -2.753 -8.206 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.397 -0.268 -8.290 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.801 -2.290 -6.088 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.508 -1.107 -6.125 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.620 1.071 -7.377 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.464 -1.409 -3.865 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.889 2.780 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -8.803 0.273 -2.618 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.130 2.223 -2.897 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.203 -1.911 -8.315 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.107 -2.677 -8.903 1.00 0.00 C ATOM 2136 C ILE B 733 -2.921 -3.953 -8.075 1.00 0.00 C ATOM 2137 O ILE B 733 -2.457 -3.919 -6.936 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.844 -1.792 -8.997 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.063 -0.514 -9.843 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.661 -2.574 -9.578 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.504 -0.739 -11.300 1.00 0.00 C ATOM 0 H ILE B 733 -3.906 -1.182 -7.666 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.326 -2.984 -9.926 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.623 -1.487 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.814 0.102 -9.348 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.135 0.058 -9.849 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.213 -1.925 -9.632 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.440 -3.428 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -0.914 -2.926 -10.578 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.627 0.224 -11.796 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -1.747 -1.323 -11.823 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.451 -1.278 -11.314 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.379 -5.077 -8.622 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.297 -6.386 -7.993 1.00 0.00 C ATOM 2155 C ILE B 734 -1.853 -6.886 -8.142 1.00 0.00 C ATOM 2156 O ILE B 734 -1.270 -6.751 -9.221 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.371 -7.305 -8.644 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -4.680 -8.595 -7.854 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.063 -7.675 -10.106 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -5.399 -8.313 -6.542 1.00 0.00 C ATOM 0 H ILE B 734 -3.828 -5.099 -9.538 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.516 -6.368 -6.925 1.00 0.00 H new ATOM 0 HB ILE B 734 -5.262 -6.678 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.294 -9.255 -8.467 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -3.749 -9.124 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.854 -8.317 -10.493 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -4.005 -6.767 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -3.111 -8.203 -10.155 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -5.593 -9.252 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -4.775 -7.676 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.344 -7.809 -6.746 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.255 -7.396 -7.063 1.00 0.00 N ATOM 2173 CA ILE B 735 0.105 -7.938 -7.036 1.00 0.00 C ATOM 2174 C ILE B 735 0.078 -9.095 -6.033 1.00 0.00 C ATOM 2175 O ILE B 735 -0.446 -8.937 -4.929 1.00 0.00 O ATOM 2176 CB ILE B 735 1.160 -6.876 -6.618 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.211 -5.597 -7.486 1.00 0.00 C ATOM 2178 CG2 ILE B 735 2.569 -7.505 -6.568 1.00 0.00 C ATOM 2179 CD1 ILE B 735 1.787 -5.769 -8.900 1.00 0.00 C ATOM 0 H ILE B 735 -1.719 -7.445 -6.156 1.00 0.00 H new ATOM 0 HA ILE B 735 0.400 -8.266 -8.033 1.00 0.00 H new ATOM 0 HB ILE B 735 0.830 -6.550 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE B 735 0.200 -5.199 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.805 -4.848 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE B 735 3.295 -6.747 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE B 735 2.579 -8.318 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE B 735 2.829 -7.894 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE B 735 1.774 -4.810 -9.417 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.813 -6.132 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE B 735 1.183 -6.488 -9.454 1.00 0.00 H new ATOM 2191 N LEU B 736 0.608 -10.258 -6.409 1.00 0.00 N ATOM 2192 CA LEU B 736 0.695 -11.469 -5.591 1.00 0.00 C ATOM 2193 C LEU B 736 1.992 -12.192 -5.968 1.00 0.00 C ATOM 2194 O LEU B 736 2.486 -11.972 -7.080 1.00 0.00 O ATOM 2195 CB LEU B 736 -0.536 -12.393 -5.748 1.00 0.00 C ATOM 2196 CG LEU B 736 -0.969 -12.798 -7.171 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.768 -14.103 -7.105 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -1.869 -11.751 -7.840 1.00 0.00 C ATOM 0 H LEU B 736 1.008 -10.389 -7.338 1.00 0.00 H new ATOM 0 HA LEU B 736 0.705 -11.188 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU B 736 -0.339 -13.307 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -1.383 -11.902 -5.270 1.00 0.00 H new ATOM 0 HG LEU B 736 -0.055 -12.901 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.076 -14.392 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -1.147 -14.889 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -2.651 -13.958 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -2.142 -12.091 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -2.772 -11.613 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -1.334 -10.804 -7.912 1.00 0.00 H new ATOM 2210 N PRO B 737 2.573 -13.021 -5.085 1.00 0.00 N ATOM 2211 CA PRO B 737 3.802 -13.738 -5.394 1.00 0.00 C ATOM 2212 C PRO B 737 3.520 -14.829 -6.433 1.00 0.00 C ATOM 2213 O PRO B 737 2.533 -15.557 -6.320 1.00 0.00 O ATOM 2214 CB PRO B 737 4.262 -14.318 -4.052 1.00 0.00 C ATOM 2215 CG PRO B 737 2.966 -14.528 -3.275 1.00 0.00 C ATOM 2216 CD PRO B 737 2.103 -13.360 -3.745 1.00 0.00 C ATOM 0 HA PRO B 737 4.574 -13.104 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO B 737 4.803 -15.255 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO B 737 4.933 -13.635 -3.531 1.00 0.00 H new ATOM 0 HG2 PRO B 737 2.507 -15.489 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO B 737 3.131 -14.503 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO B 737 1.049 -13.636 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO B 737 2.200 -12.509 -3.071 1.00 0.00 H new ATOM 2224 N GLU B 738 4.369 -14.964 -7.455 1.00 0.00 N ATOM 2225 CA GLU B 738 4.189 -15.988 -8.486 1.00 0.00 C ATOM 2226 C GLU B 738 4.754 -17.344 -8.037 1.00 0.00 C ATOM 2227 O GLU B 738 4.609 -18.327 -8.763 1.00 0.00 O ATOM 2228 CB GLU B 738 4.818 -15.569 -9.825 1.00 0.00 C ATOM 2229 CG GLU B 738 4.200 -14.291 -10.418 1.00 0.00 C ATOM 2230 CD GLU B 738 4.726 -12.986 -9.823 1.00 0.00 C ATOM 2231 OE1 GLU B 738 5.840 -12.975 -9.249 1.00 0.00 O ATOM 2232 OE2 GLU B 738 4.054 -11.945 -9.972 1.00 0.00 O ATOM 0 H GLU B 738 5.190 -14.375 -7.590 1.00 0.00 H new ATOM 0 HA GLU B 738 3.115 -16.094 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU B 738 5.887 -15.414 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU B 738 4.706 -16.383 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU B 738 4.381 -14.282 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU B 738 3.120 -14.328 -10.277 1.00 0.00 H new ATOM 2239 N SER B 739 5.409 -17.428 -6.876 1.00 0.00 N ATOM 2240 CA SER B 739 5.982 -18.650 -6.339 1.00 0.00 C ATOM 2241 C SER B 739 5.603 -18.697 -4.878 1.00 0.00 C ATOM 2242 O SER B 739 5.955 -17.761 -4.124 1.00 0.00 O ATOM 2243 CB SER B 739 7.496 -18.678 -6.574 1.00 0.00 C ATOM 2244 OG SER B 739 7.975 -20.010 -6.516 1.00 0.00 O ATOM 0 H SER B 739 5.556 -16.620 -6.271 1.00 0.00 H new ATOM 0 HA SER B 739 5.597 -19.539 -6.838 1.00 0.00 H new ATOM 0 HB2 SER B 739 7.729 -18.242 -7.545 1.00 0.00 H new ATOM 0 HB3 SER B 739 7.999 -18.070 -5.823 1.00 0.00 H new ATOM 0 HG SER B 739 8.943 -20.017 -6.669 1.00 0.00 H new TER 2250 SER B 739