USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 ASN : amide:sc= -0.211 X(o=-0.2,f=0.099) USER MOD Set 1.2: A 98 SER OG : rot 160:sc= 0.01 USER MOD Set 2.1: A 85 SER OG : rot -50:sc= 0.404 USER MOD Set 2.2: A 88 HIS :FLIP no HD1:sc= -0.892 F(o=-2.8,f=-0.72) USER MOD Set 2.3: A 89 ASN :FLIP amide:sc= -0.235 F(o=-5.7,f=-0.72) USER MOD Set 3.1: A 23 HIS : no HE2:sc= -0.208 K(o=-4,f=-12!) USER MOD Set 3.2: A 26 MET CE :methyl -173:sc= -0.882 (180deg=-0.531) USER MOD Set 3.3: A 47 HIS : no HE2:sc= -2.88 K(o=-4,f=-17!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 25:sc= 0.179 USER MOD Single : A 9 SER OG : rot 180:sc= 0.128 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.98 F(o=-3.5,f=-2) USER MOD Single : A 15 MET CE :methyl -173:sc= -5.64! (180deg=-6.22!) USER MOD Single : A 20 MET CE :methyl -147:sc= -9.08! (180deg=-13.8!) USER MOD Single : A 22 ASN : amide:sc= 0.0727 X(o=0.073,f=-0.0025) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -124:sc= -0.223 (180deg=-1.89!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.55) USER MOD Single : A 53 MET CE :methyl 146:sc= -0.279 (180deg=-0.928) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -178:sc= -3.93! (180deg=-4.09!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 170:sc= -3.9! (180deg=-3.93!) USER MOD Single : A 72 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.4) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -154:sc= -9.82! (180deg=-11.4!) USER MOD Single : A 82 GLN : amide:sc= -0.575 X(o=-0.58,f=-0.58) USER MOD Single : A 84 MET CE :methyl -112:sc= 0 (180deg=-2.01!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -107:sc= -1.11 (180deg=-6.48!) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 102 GLN : amide:sc= -0.638 K(o=-0.64,f=-1.9!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 11.364 -22.318 3.485 1.00 0.00 N ATOM 2 CA PRO A 1 10.749 -21.155 2.780 1.00 0.00 C ATOM 3 C PRO A 1 9.947 -20.245 3.715 1.00 0.00 C ATOM 4 O PRO A 1 8.748 -20.446 3.900 1.00 0.00 O ATOM 5 CB PRO A 1 9.897 -21.651 1.604 1.00 0.00 C ATOM 6 CG PRO A 1 9.567 -23.103 1.958 1.00 0.00 C ATOM 7 CD PRO A 1 10.502 -23.476 3.110 1.00 0.00 C ATOM 0 H2 PRO A 1 11.378 -22.176 4.495 1.00 0.00 H new ATOM 0 H3 PRO A 1 12.330 -22.463 3.191 1.00 0.00 H new ATOM 0 HA PRO A 1 11.560 -20.537 2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 1 8.992 -21.054 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 1 10.443 -21.586 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 1 8.523 -23.205 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 1 9.722 -23.759 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 1 9.916 -23.794 3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 1 11.126 -24.321 2.820 1.00 0.00 H new ATOM 15 N TYR A 2 10.630 -19.235 4.264 1.00 0.00 N ATOM 16 CA TYR A 2 10.025 -18.316 5.215 1.00 0.00 C ATOM 17 C TYR A 2 10.999 -17.210 5.610 1.00 0.00 C ATOM 18 O TYR A 2 12.214 -17.424 5.610 1.00 0.00 O ATOM 19 CB TYR A 2 9.633 -19.126 6.461 1.00 0.00 C ATOM 20 CG TYR A 2 9.534 -18.298 7.719 1.00 0.00 C ATOM 21 CD1 TYR A 2 8.602 -17.250 7.794 1.00 0.00 C ATOM 22 CD2 TYR A 2 10.398 -18.545 8.801 1.00 0.00 C ATOM 23 CE1 TYR A 2 8.492 -16.480 8.969 1.00 0.00 C ATOM 24 CE2 TYR A 2 10.252 -17.808 9.997 1.00 0.00 C ATOM 25 CZ TYR A 2 9.296 -16.781 10.079 1.00 0.00 C ATOM 26 OH TYR A 2 9.141 -16.077 11.229 1.00 0.00 O ATOM 0 H TYR A 2 11.610 -19.038 4.059 1.00 0.00 H new ATOM 0 HA TYR A 2 9.154 -17.843 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 2 8.674 -19.612 6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 2 10.367 -19.917 6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.967 -17.033 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 2 11.170 -19.295 8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.791 -15.660 9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 2 10.876 -18.034 10.849 1.00 0.00 H new ATOM 0 HH TYR A 2 9.771 -16.408 11.903 1.00 0.00 H new ATOM 36 N GLY A 3 10.463 -16.039 5.957 1.00 0.00 N ATOM 37 CA GLY A 3 11.254 -14.909 6.391 1.00 0.00 C ATOM 38 C GLY A 3 11.556 -13.996 5.217 1.00 0.00 C ATOM 39 O GLY A 3 11.132 -14.225 4.080 1.00 0.00 O ATOM 0 H GLY A 3 9.460 -15.857 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.718 -14.356 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.185 -15.258 6.838 1.00 0.00 H new ATOM 43 N ARG A 4 12.269 -12.906 5.495 1.00 0.00 N ATOM 44 CA ARG A 4 12.636 -11.951 4.464 1.00 0.00 C ATOM 45 C ARG A 4 13.843 -12.456 3.696 1.00 0.00 C ATOM 46 O ARG A 4 14.898 -12.687 4.287 1.00 0.00 O ATOM 47 CB ARG A 4 12.921 -10.584 5.093 1.00 0.00 C ATOM 48 CG ARG A 4 12.572 -9.463 4.102 1.00 0.00 C ATOM 49 CD ARG A 4 11.991 -8.255 4.838 1.00 0.00 C ATOM 50 NE ARG A 4 13.039 -7.278 5.171 1.00 0.00 N ATOM 51 CZ ARG A 4 12.902 -6.250 5.991 1.00 0.00 C ATOM 52 NH1 ARG A 4 11.768 -6.033 6.602 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.910 -5.446 6.217 1.00 0.00 N ATOM 0 H ARG A 4 12.602 -12.666 6.429 1.00 0.00 H new ATOM 0 HA ARG A 4 11.807 -11.840 3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.338 -10.467 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.972 -10.517 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.465 -9.166 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.853 -9.829 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.231 -7.779 4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.496 -8.586 5.751 1.00 0.00 H new ATOM 0 HE ARG A 4 13.951 -7.405 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.978 -6.660 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.673 -5.237 7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.807 -5.611 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.799 -4.654 6.851 1.00 0.00 H new ATOM 67 N GLY A 5 13.727 -12.543 2.380 1.00 0.00 N ATOM 68 CA GLY A 5 14.819 -12.967 1.523 1.00 0.00 C ATOM 69 C GLY A 5 14.959 -12.054 0.323 1.00 0.00 C ATOM 70 O GLY A 5 14.109 -11.200 0.078 1.00 0.00 O ATOM 0 H GLY A 5 12.869 -12.320 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.750 -12.971 2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.646 -13.989 1.187 1.00 0.00 H new ATOM 74 N ARG A 6 16.089 -12.178 -0.373 1.00 0.00 N ATOM 75 CA ARG A 6 16.354 -11.380 -1.561 1.00 0.00 C ATOM 76 C ARG A 6 15.705 -11.992 -2.779 1.00 0.00 C ATOM 77 O ARG A 6 16.060 -13.109 -3.139 1.00 0.00 O ATOM 78 CB ARG A 6 17.857 -11.274 -1.813 1.00 0.00 C ATOM 79 CG ARG A 6 18.427 -10.043 -1.098 1.00 0.00 C ATOM 80 CD ARG A 6 19.728 -10.384 -0.362 1.00 0.00 C ATOM 81 NE ARG A 6 19.726 -9.807 0.995 1.00 0.00 N ATOM 82 CZ ARG A 6 19.104 -10.322 2.046 1.00 0.00 C ATOM 83 NH1 ARG A 6 18.422 -11.436 1.948 1.00 0.00 N ATOM 84 NH2 ARG A 6 19.139 -9.712 3.200 1.00 0.00 N ATOM 0 H ARG A 6 16.836 -12.828 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 6 15.937 -10.388 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 6 18.357 -12.175 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.050 -11.204 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.613 -9.251 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.694 -9.659 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 6 19.845 -11.466 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 6 20.580 -10.002 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 6 20.246 -8.941 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.364 -11.921 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.949 -11.818 2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.647 -8.833 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.658 -10.114 4.004 1.00 0.00 H new ATOM 98 N THR A 7 14.814 -11.251 -3.410 1.00 0.00 N ATOM 99 CA THR A 7 14.063 -11.742 -4.553 1.00 0.00 C ATOM 100 C THR A 7 13.919 -10.601 -5.518 1.00 0.00 C ATOM 101 O THR A 7 13.516 -9.516 -5.090 1.00 0.00 O ATOM 102 CB THR A 7 12.706 -12.288 -4.086 1.00 0.00 C ATOM 103 OG1 THR A 7 12.047 -11.294 -3.319 1.00 0.00 O ATOM 104 CG2 THR A 7 12.880 -13.492 -3.153 1.00 0.00 C ATOM 0 H THR A 7 14.589 -10.292 -3.146 1.00 0.00 H new ATOM 0 HA THR A 7 14.576 -12.565 -5.050 1.00 0.00 H new ATOM 0 HB THR A 7 12.145 -12.574 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.380 -10.409 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.901 -13.855 -2.840 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.410 -14.286 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.453 -13.192 -2.275 1.00 0.00 H new ATOM 112 N GLU A 8 14.379 -10.822 -6.751 1.00 0.00 N ATOM 113 CA GLU A 8 14.243 -9.855 -7.834 1.00 0.00 C ATOM 114 C GLU A 8 12.802 -9.321 -7.981 1.00 0.00 C ATOM 115 O GLU A 8 11.874 -9.645 -7.229 1.00 0.00 O ATOM 116 CB GLU A 8 14.729 -10.449 -9.171 1.00 0.00 C ATOM 117 CG GLU A 8 14.233 -11.892 -9.364 1.00 0.00 C ATOM 118 CD GLU A 8 13.913 -12.214 -10.829 1.00 0.00 C ATOM 119 OE1 GLU A 8 13.432 -11.311 -11.548 1.00 0.00 O ATOM 120 OE2 GLU A 8 14.185 -13.369 -11.221 1.00 0.00 O ATOM 0 H GLU A 8 14.857 -11.680 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 8 14.876 -9.008 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.376 -9.829 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.818 -10.431 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.992 -12.585 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.341 -12.050 -8.758 1.00 0.00 H new ATOM 127 N SER A 9 12.606 -8.432 -8.941 1.00 0.00 N ATOM 128 CA SER A 9 11.295 -7.877 -9.203 1.00 0.00 C ATOM 129 C SER A 9 10.237 -8.974 -9.342 1.00 0.00 C ATOM 130 O SER A 9 10.463 -10.033 -9.916 1.00 0.00 O ATOM 131 CB SER A 9 11.309 -6.992 -10.451 1.00 0.00 C ATOM 132 OG SER A 9 12.635 -6.736 -10.914 1.00 0.00 O ATOM 0 H SER A 9 13.343 -8.080 -9.552 1.00 0.00 H new ATOM 0 HA SER A 9 11.031 -7.260 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.736 -7.474 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.814 -6.046 -10.230 1.00 0.00 H new ATOM 0 HG SER A 9 12.599 -6.169 -11.713 1.00 0.00 H new ATOM 138 N GLY A 10 9.060 -8.731 -8.779 1.00 0.00 N ATOM 139 CA GLY A 10 7.998 -9.718 -8.831 1.00 0.00 C ATOM 140 C GLY A 10 6.706 -9.132 -8.362 1.00 0.00 C ATOM 141 O GLY A 10 6.007 -8.539 -9.141 1.00 0.00 O ATOM 0 H GLY A 10 8.822 -7.869 -8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.887 -10.086 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.261 -10.575 -8.210 1.00 0.00 H new ATOM 145 N CYS A 11 6.360 -9.221 -7.086 1.00 0.00 N ATOM 146 CA CYS A 11 5.130 -8.660 -6.566 1.00 0.00 C ATOM 147 C CYS A 11 4.989 -7.201 -6.942 1.00 0.00 C ATOM 148 O CYS A 11 3.982 -6.834 -7.528 1.00 0.00 O ATOM 149 CB CYS A 11 5.103 -8.816 -5.075 1.00 0.00 C ATOM 150 SG CYS A 11 5.457 -10.457 -4.431 1.00 0.00 S ATOM 0 H CYS A 11 6.931 -9.688 -6.381 1.00 0.00 H new ATOM 0 HA CYS A 11 4.290 -9.198 -7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.823 -8.119 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.118 -8.515 -4.719 1.00 0.00 H new ATOM 155 N TYR A 12 6.050 -6.423 -6.702 1.00 0.00 N ATOM 156 CA TYR A 12 6.136 -5.029 -7.101 1.00 0.00 C ATOM 157 C TYR A 12 5.787 -4.791 -8.574 1.00 0.00 C ATOM 158 O TYR A 12 5.330 -3.716 -8.935 1.00 0.00 O ATOM 159 CB TYR A 12 7.573 -4.572 -6.856 1.00 0.00 C ATOM 160 CG TYR A 12 7.708 -3.116 -6.496 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.613 -2.723 -5.148 1.00 0.00 C ATOM 162 CD2 TYR A 12 7.937 -2.163 -7.503 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.746 -1.370 -4.804 1.00 0.00 C ATOM 164 CE2 TYR A 12 8.078 -0.809 -7.163 1.00 0.00 C ATOM 165 CZ TYR A 12 7.988 -0.429 -5.816 1.00 0.00 C ATOM 166 OH TYR A 12 8.235 0.850 -5.470 1.00 0.00 O ATOM 0 H TYR A 12 6.883 -6.757 -6.217 1.00 0.00 H new ATOM 0 HA TYR A 12 5.409 -4.467 -6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.001 -5.174 -6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.162 -4.769 -7.752 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.438 -3.462 -4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.004 -2.472 -8.536 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.663 -1.057 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.254 -0.068 -7.929 1.00 0.00 H new ATOM 0 HH TYR A 12 8.385 1.384 -6.278 1.00 0.00 H new ATOM 176 N GLN A 13 5.975 -5.825 -9.391 1.00 0.00 N ATOM 177 CA GLN A 13 5.607 -5.827 -10.782 1.00 0.00 C ATOM 178 C GLN A 13 4.092 -5.860 -10.978 1.00 0.00 C ATOM 179 O GLN A 13 3.547 -5.113 -11.771 1.00 0.00 O ATOM 180 CB GLN A 13 6.248 -7.020 -11.502 1.00 0.00 C ATOM 181 CG GLN A 13 6.371 -6.738 -12.993 1.00 0.00 C ATOM 182 CD GLN A 13 7.826 -6.622 -13.397 1.00 0.00 C ATOM 183 OE1 GLN A 13 8.557 -7.591 -13.527 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.304 -5.407 -13.544 1.00 0.00 N ATOM 0 H GLN A 13 6.399 -6.701 -9.084 1.00 0.00 H new ATOM 0 HA GLN A 13 5.978 -4.897 -11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.233 -7.220 -11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.646 -7.915 -11.343 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.893 -7.537 -13.560 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.845 -5.815 -13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.689 -4.600 -13.434 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.290 -5.270 -13.768 1.00 0.00 H new ATOM 193 N GLN A 14 3.385 -6.702 -10.227 1.00 0.00 N ATOM 194 CA GLN A 14 1.941 -6.761 -10.293 1.00 0.00 C ATOM 195 C GLN A 14 1.304 -5.553 -9.628 1.00 0.00 C ATOM 196 O GLN A 14 0.183 -5.200 -9.955 1.00 0.00 O ATOM 197 CB GLN A 14 1.425 -8.049 -9.646 1.00 0.00 C ATOM 198 CG GLN A 14 1.771 -9.269 -10.510 1.00 0.00 C ATOM 199 CD GLN A 14 3.227 -9.661 -10.363 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.638 -9.883 -9.135 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 3.995 -9.763 -11.301 1.00 0.00 N flip ATOM 0 H GLN A 14 3.801 -7.355 -9.563 1.00 0.00 H new ATOM 0 HA GLN A 14 1.660 -6.755 -11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.863 -8.164 -8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.345 -7.987 -9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.137 -10.109 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.557 -9.048 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.666 -9.589 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.968 -10.023 -11.138 1.00 0.00 H new ATOM 210 N MET A 15 1.996 -4.940 -8.675 1.00 0.00 N ATOM 211 CA MET A 15 1.527 -3.762 -7.985 1.00 0.00 C ATOM 212 C MET A 15 1.338 -2.611 -8.947 1.00 0.00 C ATOM 213 O MET A 15 0.256 -2.047 -8.982 1.00 0.00 O ATOM 214 CB MET A 15 2.534 -3.334 -6.921 1.00 0.00 C ATOM 215 CG MET A 15 2.190 -3.958 -5.580 1.00 0.00 C ATOM 216 SD MET A 15 3.241 -5.320 -5.145 1.00 0.00 S ATOM 217 CE MET A 15 4.207 -4.543 -3.854 1.00 0.00 C ATOM 0 H MET A 15 2.913 -5.259 -8.361 1.00 0.00 H new ATOM 0 HA MET A 15 0.573 -4.013 -7.522 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.538 -3.634 -7.221 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.539 -2.248 -6.833 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.257 -3.195 -4.805 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.155 -4.300 -5.602 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.008 -5.214 -3.545 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.636 -3.614 -4.230 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.565 -4.327 -3.000 1.00 0.00 H new ATOM 227 N GLU A 16 2.382 -2.253 -9.689 1.00 0.00 N ATOM 228 CA GLU A 16 2.289 -1.173 -10.662 1.00 0.00 C ATOM 229 C GLU A 16 1.273 -1.507 -11.757 1.00 0.00 C ATOM 230 O GLU A 16 0.605 -0.623 -12.289 1.00 0.00 O ATOM 231 CB GLU A 16 3.677 -0.894 -11.261 1.00 0.00 C ATOM 232 CG GLU A 16 3.956 -1.761 -12.497 1.00 0.00 C ATOM 233 CD GLU A 16 5.436 -1.788 -12.846 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.183 -2.602 -12.248 1.00 0.00 O ATOM 235 OE2 GLU A 16 5.840 -1.000 -13.731 1.00 0.00 O ATOM 0 H GLU A 16 3.300 -2.695 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 16 1.939 -0.273 -10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.749 0.159 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.441 -1.081 -10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.607 -2.777 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.389 -1.377 -13.345 1.00 0.00 H new ATOM 242 N GLU A 17 1.157 -2.799 -12.082 1.00 0.00 N ATOM 243 CA GLU A 17 0.242 -3.256 -13.108 1.00 0.00 C ATOM 244 C GLU A 17 -1.188 -3.214 -12.591 1.00 0.00 C ATOM 245 O GLU A 17 -2.140 -3.141 -13.369 1.00 0.00 O ATOM 246 CB GLU A 17 0.606 -4.678 -13.558 1.00 0.00 C ATOM 247 CG GLU A 17 0.448 -4.804 -15.074 1.00 0.00 C ATOM 248 CD GLU A 17 1.011 -6.140 -15.562 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.273 -7.148 -15.477 1.00 0.00 O ATOM 250 OE2 GLU A 17 2.164 -6.143 -16.047 1.00 0.00 O ATOM 0 H GLU A 17 1.695 -3.544 -11.639 1.00 0.00 H new ATOM 0 HA GLU A 17 0.323 -2.592 -13.968 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.632 -4.908 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.035 -5.402 -13.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.605 -4.726 -15.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.965 -3.982 -15.569 1.00 0.00 H new ATOM 257 N ALA A 18 -1.350 -3.227 -11.270 1.00 0.00 N ATOM 258 CA ALA A 18 -2.633 -3.188 -10.650 1.00 0.00 C ATOM 259 C ALA A 18 -2.592 -2.195 -9.524 1.00 0.00 C ATOM 260 O ALA A 18 -2.880 -2.597 -8.407 1.00 0.00 O ATOM 261 CB ALA A 18 -3.016 -4.594 -10.180 1.00 0.00 C ATOM 0 H ALA A 18 -0.573 -3.266 -10.610 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.400 -2.866 -11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.997 -4.564 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.047 -5.268 -11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.277 -4.952 -9.463 1.00 0.00 H new ATOM 267 N GLU A 19 -2.241 -0.931 -9.795 1.00 0.00 N ATOM 268 CA GLU A 19 -2.107 0.114 -8.789 1.00 0.00 C ATOM 269 C GLU A 19 -3.344 0.119 -7.891 1.00 0.00 C ATOM 270 O GLU A 19 -4.380 0.743 -8.150 1.00 0.00 O ATOM 271 CB GLU A 19 -1.898 1.472 -9.470 1.00 0.00 C ATOM 272 CG GLU A 19 -1.985 2.607 -8.454 1.00 0.00 C ATOM 273 CD GLU A 19 -2.108 3.963 -9.137 1.00 0.00 C ATOM 274 OE1 GLU A 19 -1.048 4.554 -9.418 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.275 4.413 -9.278 1.00 0.00 O ATOM 0 H GLU A 19 -2.040 -0.607 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.235 -0.081 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.925 1.492 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.650 1.614 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.844 2.448 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.098 2.597 -7.820 1.00 0.00 H new ATOM 282 N MET A 20 -3.261 -0.605 -6.782 1.00 0.00 N ATOM 283 CA MET A 20 -4.389 -0.781 -5.890 1.00 0.00 C ATOM 284 C MET A 20 -4.029 -0.226 -4.537 1.00 0.00 C ATOM 285 O MET A 20 -4.905 0.091 -3.724 1.00 0.00 O ATOM 286 CB MET A 20 -4.787 -2.254 -5.786 1.00 0.00 C ATOM 287 CG MET A 20 -3.803 -3.090 -4.991 1.00 0.00 C ATOM 288 SD MET A 20 -2.717 -4.175 -5.916 1.00 0.00 S ATOM 289 CE MET A 20 -3.989 -5.037 -6.820 1.00 0.00 C ATOM 0 H MET A 20 -2.412 -1.083 -6.481 1.00 0.00 H new ATOM 0 HA MET A 20 -5.249 -0.243 -6.288 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.771 -2.325 -5.322 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.878 -2.670 -6.790 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.183 -2.414 -4.402 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.369 -3.699 -4.286 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.679 -6.068 -6.990 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.915 -5.026 -6.245 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.152 -4.544 -7.779 1.00 0.00 H new ATOM 299 N LEU A 21 -2.721 -0.093 -4.302 1.00 0.00 N ATOM 300 CA LEU A 21 -2.195 0.423 -3.076 1.00 0.00 C ATOM 301 C LEU A 21 -2.202 1.930 -3.112 1.00 0.00 C ATOM 302 O LEU A 21 -1.776 2.570 -2.155 1.00 0.00 O ATOM 303 CB LEU A 21 -0.811 -0.164 -2.800 1.00 0.00 C ATOM 304 CG LEU A 21 -0.659 -1.677 -3.033 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.825 -2.493 -2.483 1.00 0.00 C ATOM 306 CD2 LEU A 21 -0.386 -1.938 -4.502 1.00 0.00 C ATOM 0 H LEU A 21 -2.003 -0.350 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.829 0.120 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.087 0.354 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.547 0.052 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 21 0.200 -2.025 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.654 -3.551 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.906 -2.333 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.750 -2.178 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.278 -3.010 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.216 -1.560 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.533 -1.431 -4.797 1.00 0.00 H new ATOM 318 N ASN A 22 -2.786 2.483 -4.172 1.00 0.00 N ATOM 319 CA ASN A 22 -2.915 3.893 -4.344 1.00 0.00 C ATOM 320 C ASN A 22 -4.341 4.285 -4.053 1.00 0.00 C ATOM 321 O ASN A 22 -4.574 5.351 -3.534 1.00 0.00 O ATOM 322 CB ASN A 22 -2.629 4.306 -5.779 1.00 0.00 C ATOM 323 CG ASN A 22 -2.067 5.707 -5.855 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.976 5.955 -6.301 1.00 0.00 O ATOM 325 ND2 ASN A 22 -2.774 6.650 -5.273 1.00 0.00 N ATOM 0 H ASN A 22 -3.183 1.939 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.205 4.379 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.923 3.606 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.547 4.250 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.399 7.596 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.698 6.436 -4.897 1.00 0.00 H new ATOM 332 N HIS A 23 -5.336 3.467 -4.380 1.00 0.00 N ATOM 333 CA HIS A 23 -6.721 3.790 -4.113 1.00 0.00 C ATOM 334 C HIS A 23 -6.983 3.729 -2.614 1.00 0.00 C ATOM 335 O HIS A 23 -7.470 4.689 -2.028 1.00 0.00 O ATOM 336 CB HIS A 23 -7.600 2.805 -4.877 1.00 0.00 C ATOM 337 CG HIS A 23 -7.837 3.205 -6.314 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.957 3.854 -6.768 1.00 0.00 N ATOM 339 CD2 HIS A 23 -7.028 2.984 -7.394 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.840 4.078 -8.091 1.00 0.00 C ATOM 341 NE2 HIS A 23 -7.672 3.534 -8.492 1.00 0.00 N ATOM 0 H HIS A 23 -5.199 2.565 -4.836 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.953 4.802 -4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.134 1.820 -4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.560 2.716 -4.369 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.755 4.125 -6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.073 2.479 -7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.551 4.598 -8.716 1.00 0.00 H new ATOM 350 N CYS A 24 -6.638 2.603 -1.993 1.00 0.00 N ATOM 351 CA CYS A 24 -6.783 2.486 -0.558 1.00 0.00 C ATOM 352 C CYS A 24 -5.765 3.367 0.138 1.00 0.00 C ATOM 353 O CYS A 24 -6.010 3.723 1.265 1.00 0.00 O ATOM 354 CB CYS A 24 -6.611 1.037 -0.113 1.00 0.00 C ATOM 355 SG CYS A 24 -8.102 0.234 0.527 1.00 0.00 S ATOM 0 H CYS A 24 -6.263 1.776 -2.458 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.787 2.812 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.242 0.457 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.841 1.001 0.658 1.00 0.00 H new ATOM 360 N GLY A 25 -4.670 3.743 -0.528 1.00 0.00 N ATOM 361 CA GLY A 25 -3.653 4.614 0.009 1.00 0.00 C ATOM 362 C GLY A 25 -4.091 6.066 -0.007 1.00 0.00 C ATOM 363 O GLY A 25 -4.114 6.718 1.024 1.00 0.00 O ATOM 0 H GLY A 25 -4.473 3.435 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.421 4.315 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.737 4.504 -0.571 1.00 0.00 H new ATOM 367 N MET A 26 -4.488 6.572 -1.164 1.00 0.00 N ATOM 368 CA MET A 26 -4.906 7.939 -1.377 1.00 0.00 C ATOM 369 C MET A 26 -6.005 8.307 -0.408 1.00 0.00 C ATOM 370 O MET A 26 -5.943 9.372 0.177 1.00 0.00 O ATOM 371 CB MET A 26 -5.470 8.112 -2.780 1.00 0.00 C ATOM 372 CG MET A 26 -5.697 9.583 -3.115 1.00 0.00 C ATOM 373 SD MET A 26 -6.954 9.772 -4.394 1.00 0.00 S ATOM 374 CE MET A 26 -6.268 8.651 -5.641 1.00 0.00 C ATOM 0 H MET A 26 -4.528 6.011 -2.015 1.00 0.00 H new ATOM 0 HA MET A 26 -4.032 8.575 -1.233 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.784 7.674 -3.505 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.412 7.569 -2.864 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.004 10.120 -2.218 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.762 10.031 -3.451 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.848 8.731 -6.561 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.231 8.920 -5.841 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.312 7.626 -5.272 1.00 0.00 H new ATOM 384 N TYR A 27 -6.959 7.398 -0.192 1.00 0.00 N ATOM 385 CA TYR A 27 -8.017 7.592 0.780 1.00 0.00 C ATOM 386 C TYR A 27 -7.486 8.000 2.152 1.00 0.00 C ATOM 387 O TYR A 27 -8.094 8.788 2.870 1.00 0.00 O ATOM 388 CB TYR A 27 -8.754 6.258 0.901 1.00 0.00 C ATOM 389 CG TYR A 27 -9.964 6.301 1.798 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.149 6.910 1.348 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.909 5.741 3.089 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.280 6.954 2.187 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.043 5.781 3.924 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.227 6.384 3.473 1.00 0.00 C ATOM 395 OH TYR A 27 -13.306 6.446 4.288 1.00 0.00 O ATOM 0 H TYR A 27 -7.012 6.510 -0.690 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.668 8.399 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.064 5.935 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.062 5.506 1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.192 7.344 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.997 5.281 3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.189 7.426 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.001 5.347 4.912 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.100 6.003 5.138 1.00 0.00 H new ATOM 405 N LEU A 28 -6.321 7.471 2.505 1.00 0.00 N ATOM 406 CA LEU A 28 -5.660 7.758 3.753 1.00 0.00 C ATOM 407 C LEU A 28 -4.877 9.059 3.602 1.00 0.00 C ATOM 408 O LEU A 28 -4.885 9.908 4.479 1.00 0.00 O ATOM 409 CB LEU A 28 -4.757 6.586 4.165 1.00 0.00 C ATOM 410 CG LEU A 28 -5.301 5.198 3.844 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.161 4.210 3.594 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.242 4.738 4.927 1.00 0.00 C ATOM 0 H LEU A 28 -5.806 6.818 1.914 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.394 7.883 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.792 6.702 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.577 6.648 5.238 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.877 5.248 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.574 3.227 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.560 4.554 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.535 4.144 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.621 3.746 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.711 4.699 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.076 5.436 5.005 1.00 0.00 H new ATOM 424 N MET A 29 -4.305 9.314 2.435 1.00 0.00 N ATOM 425 CA MET A 29 -3.647 10.557 2.129 1.00 0.00 C ATOM 426 C MET A 29 -4.617 11.727 2.010 1.00 0.00 C ATOM 427 O MET A 29 -4.186 12.821 1.732 1.00 0.00 O ATOM 428 CB MET A 29 -2.842 10.397 0.842 1.00 0.00 C ATOM 429 CG MET A 29 -1.378 10.757 1.077 1.00 0.00 C ATOM 430 SD MET A 29 -1.074 12.503 0.782 1.00 0.00 S ATOM 431 CE MET A 29 0.371 12.422 -0.269 1.00 0.00 C ATOM 0 H MET A 29 -4.290 8.645 1.666 1.00 0.00 H new ATOM 0 HA MET A 29 -2.983 10.793 2.960 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.917 9.370 0.485 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.259 11.036 0.064 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.100 10.506 2.101 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.745 10.160 0.420 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.176 13.008 0.174 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.690 11.385 -0.370 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.128 12.824 -1.253 1.00 0.00 H new ATOM 441 N LYS A 30 -5.909 11.525 2.238 1.00 0.00 N ATOM 442 CA LYS A 30 -6.878 12.600 2.195 1.00 0.00 C ATOM 443 C LYS A 30 -6.869 13.387 3.506 1.00 0.00 C ATOM 444 O LYS A 30 -7.359 14.496 3.610 1.00 0.00 O ATOM 445 CB LYS A 30 -8.245 11.984 1.884 1.00 0.00 C ATOM 446 CG LYS A 30 -9.243 13.082 1.505 1.00 0.00 C ATOM 447 CD LYS A 30 -10.349 13.191 2.556 1.00 0.00 C ATOM 448 CE LYS A 30 -11.351 14.284 2.172 1.00 0.00 C ATOM 449 NZ LYS A 30 -12.723 13.729 2.090 1.00 0.00 N ATOM 0 H LYS A 30 -6.308 10.612 2.457 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.630 13.319 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.153 11.268 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.610 11.433 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.725 14.037 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.680 12.863 0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.864 12.235 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.913 13.416 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.321 15.087 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.072 14.720 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.388 14.485 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.751 12.979 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.993 13.334 3.013 1.00 0.00 H new ATOM 463 N ASN A 31 -6.355 12.774 4.570 1.00 0.00 N ATOM 464 CA ASN A 31 -6.229 13.432 5.860 1.00 0.00 C ATOM 465 C ASN A 31 -4.814 13.297 6.400 1.00 0.00 C ATOM 466 O ASN A 31 -4.548 13.657 7.543 1.00 0.00 O ATOM 467 CB ASN A 31 -7.216 12.806 6.845 1.00 0.00 C ATOM 468 CG ASN A 31 -8.643 12.851 6.343 1.00 0.00 C ATOM 469 OD1 ASN A 31 -9.235 13.885 6.094 1.00 0.00 O ATOM 470 ND2 ASN A 31 -9.238 11.691 6.187 1.00 0.00 N ATOM 0 H ASN A 31 -6.017 11.812 4.559 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.450 14.492 5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.932 11.770 7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.153 13.329 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.202 11.653 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.736 10.828 6.397 1.00 0.00 H new ATOM 477 N LEU A 32 -3.922 12.704 5.608 1.00 0.00 N ATOM 478 CA LEU A 32 -2.534 12.520 5.984 1.00 0.00 C ATOM 479 C LEU A 32 -1.636 13.406 5.124 1.00 0.00 C ATOM 480 O LEU A 32 -0.451 13.559 5.416 1.00 0.00 O ATOM 481 CB LEU A 32 -2.171 11.038 5.878 1.00 0.00 C ATOM 482 CG LEU A 32 -3.027 10.134 6.781 1.00 0.00 C ATOM 483 CD1 LEU A 32 -3.082 8.728 6.222 1.00 0.00 C ATOM 484 CD2 LEU A 32 -2.493 10.105 8.207 1.00 0.00 C ATOM 0 H LEU A 32 -4.150 12.338 4.684 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.381 12.824 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.284 10.717 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.120 10.909 6.138 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.034 10.550 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.692 8.101 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.521 8.750 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.073 8.319 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.121 9.457 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.472 9.724 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.503 11.114 8.620 1.00 0.00 H new ATOM 496 N GLY A 33 -2.193 14.010 4.073 1.00 0.00 N ATOM 497 CA GLY A 33 -1.466 14.887 3.192 1.00 0.00 C ATOM 498 C GLY A 33 -2.389 15.607 2.224 1.00 0.00 C ATOM 499 O GLY A 33 -2.876 15.049 1.261 1.00 0.00 O ATOM 0 H GLY A 33 -3.174 13.894 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.915 15.620 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.730 14.311 2.632 1.00 0.00 H new ATOM 503 N GLU A 34 -2.571 16.901 2.417 1.00 0.00 N ATOM 504 CA GLU A 34 -3.438 17.673 1.542 1.00 0.00 C ATOM 505 C GLU A 34 -2.829 19.043 1.326 1.00 0.00 C ATOM 506 O GLU A 34 -2.482 19.742 2.281 1.00 0.00 O ATOM 507 CB GLU A 34 -4.842 17.784 2.142 1.00 0.00 C ATOM 508 CG GLU A 34 -5.876 17.934 1.022 1.00 0.00 C ATOM 509 CD GLU A 34 -6.427 16.573 0.596 1.00 0.00 C ATOM 510 OE1 GLU A 34 -7.253 16.024 1.350 1.00 0.00 O ATOM 511 OE2 GLU A 34 -6.082 16.120 -0.518 1.00 0.00 O ATOM 0 H GLU A 34 -2.134 17.438 3.166 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.530 17.169 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.064 16.898 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.893 18.641 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.693 18.571 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.419 18.429 0.165 1.00 0.00 H new ATOM 518 N ARG A 35 -2.611 19.402 0.062 1.00 0.00 N ATOM 519 CA ARG A 35 -2.076 20.709 -0.310 1.00 0.00 C ATOM 520 C ARG A 35 -3.138 21.580 -0.966 1.00 0.00 C ATOM 521 O ARG A 35 -4.251 21.134 -1.212 1.00 0.00 O ATOM 522 CB ARG A 35 -0.863 20.521 -1.222 1.00 0.00 C ATOM 523 CG ARG A 35 -1.228 19.692 -2.469 1.00 0.00 C ATOM 524 CD ARG A 35 -0.701 18.258 -2.343 1.00 0.00 C ATOM 525 NE ARG A 35 -0.249 17.744 -3.645 1.00 0.00 N ATOM 526 CZ ARG A 35 0.372 16.596 -3.845 1.00 0.00 C ATOM 527 NH1 ARG A 35 0.655 15.807 -2.839 1.00 0.00 N ATOM 528 NH2 ARG A 35 0.741 16.243 -5.049 1.00 0.00 N ATOM 0 H ARG A 35 -2.801 18.793 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.759 21.230 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.480 21.495 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.064 20.023 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.310 19.676 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.809 20.161 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.124 18.232 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.485 17.613 -1.946 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.431 18.324 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.395 16.077 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.135 14.922 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.550 16.856 -5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.220 15.355 -5.196 1.00 0.00 H new ATOM 542 N SER A 36 -2.749 22.797 -1.333 1.00 0.00 N ATOM 543 CA SER A 36 -3.619 23.711 -2.057 1.00 0.00 C ATOM 544 C SER A 36 -3.166 23.857 -3.496 1.00 0.00 C ATOM 545 O SER A 36 -1.987 23.645 -3.807 1.00 0.00 O ATOM 546 CB SER A 36 -3.630 25.058 -1.340 1.00 0.00 C ATOM 547 OG SER A 36 -4.181 26.078 -2.154 1.00 0.00 O ATOM 0 H SER A 36 -1.822 23.175 -1.136 1.00 0.00 H new ATOM 0 HA SER A 36 -4.633 23.311 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.207 24.976 -0.419 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.613 25.328 -1.056 1.00 0.00 H new ATOM 0 HG SER A 36 -4.175 26.927 -1.664 1.00 0.00 H new ATOM 553 N GLN A 37 -4.101 24.219 -4.373 1.00 0.00 N ATOM 554 CA GLN A 37 -3.826 24.461 -5.772 1.00 0.00 C ATOM 555 C GLN A 37 -5.072 24.965 -6.484 1.00 0.00 C ATOM 556 O GLN A 37 -5.978 25.506 -5.851 1.00 0.00 O ATOM 557 CB GLN A 37 -3.280 23.173 -6.416 1.00 0.00 C ATOM 558 CG GLN A 37 -2.028 23.501 -7.230 1.00 0.00 C ATOM 559 CD GLN A 37 -1.432 22.230 -7.798 1.00 0.00 C ATOM 560 OE1 GLN A 37 -1.754 21.794 -8.887 1.00 0.00 O ATOM 561 NE2 GLN A 37 -0.562 21.588 -7.046 1.00 0.00 N ATOM 0 H GLN A 37 -5.080 24.352 -4.120 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.068 25.239 -5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.044 22.440 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.038 22.726 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.279 24.188 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.296 24.006 -6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.300 21.964 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.150 20.715 -7.375 1.00 0.00 H new ATOM 570 N VAL A 38 -5.088 24.827 -7.811 1.00 0.00 N ATOM 571 CA VAL A 38 -6.247 25.164 -8.613 1.00 0.00 C ATOM 572 C VAL A 38 -7.498 24.403 -8.165 1.00 0.00 C ATOM 573 O VAL A 38 -7.442 23.571 -7.260 1.00 0.00 O ATOM 574 CB VAL A 38 -5.909 24.951 -10.098 1.00 0.00 C ATOM 575 CG1 VAL A 38 -6.048 23.478 -10.517 1.00 0.00 C ATOM 576 CG2 VAL A 38 -6.776 25.867 -10.972 1.00 0.00 C ATOM 0 H VAL A 38 -4.296 24.479 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.493 26.216 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.862 25.217 -10.246 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.800 23.375 -11.573 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.370 22.865 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.074 23.148 -10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.529 25.709 -12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.829 25.637 -10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.587 26.907 -10.708 1.00 0.00 H new ATOM 586 N SER A 39 -8.616 24.628 -8.848 1.00 0.00 N ATOM 587 CA SER A 39 -9.864 23.949 -8.552 1.00 0.00 C ATOM 588 C SER A 39 -10.243 23.024 -9.701 1.00 0.00 C ATOM 589 O SER A 39 -10.859 23.473 -10.675 1.00 0.00 O ATOM 590 CB SER A 39 -10.950 24.966 -8.257 1.00 0.00 C ATOM 591 OG SER A 39 -12.176 24.323 -7.962 1.00 0.00 O ATOM 0 H SER A 39 -8.678 25.288 -9.623 1.00 0.00 H new ATOM 0 HA SER A 39 -9.742 23.331 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.650 25.591 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.078 25.627 -9.114 1.00 0.00 H new ATOM 0 HG SER A 39 -12.862 24.997 -7.773 1.00 0.00 H new ATOM 597 N PRO A 40 -9.802 21.753 -9.645 1.00 0.00 N ATOM 598 CA PRO A 40 -10.126 20.763 -10.659 1.00 0.00 C ATOM 599 C PRO A 40 -11.591 20.332 -10.564 1.00 0.00 C ATOM 600 O PRO A 40 -12.444 20.991 -9.961 1.00 0.00 O ATOM 601 CB PRO A 40 -9.148 19.605 -10.437 1.00 0.00 C ATOM 602 CG PRO A 40 -8.639 19.755 -9.003 1.00 0.00 C ATOM 603 CD PRO A 40 -9.039 21.154 -8.555 1.00 0.00 C ATOM 0 HA PRO A 40 -10.019 21.161 -11.668 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.643 18.644 -10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.325 19.647 -11.150 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.077 18.998 -8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.558 19.626 -8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.637 21.110 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.157 21.753 -8.328 1.00 0.00 H new ATOM 611 N ARG A 41 -11.924 19.237 -11.246 1.00 0.00 N ATOM 612 CA ARG A 41 -13.259 18.682 -11.224 1.00 0.00 C ATOM 613 C ARG A 41 -13.217 17.240 -11.661 1.00 0.00 C ATOM 614 O ARG A 41 -13.280 16.981 -12.860 1.00 0.00 O ATOM 615 CB ARG A 41 -14.157 19.510 -12.153 1.00 0.00 C ATOM 616 CG ARG A 41 -15.608 19.426 -11.680 1.00 0.00 C ATOM 617 CD ARG A 41 -16.473 20.384 -12.495 1.00 0.00 C ATOM 618 NE ARG A 41 -16.338 21.772 -12.013 1.00 0.00 N ATOM 619 CZ ARG A 41 -17.136 22.779 -12.327 1.00 0.00 C ATOM 620 NH1 ARG A 41 -18.149 22.595 -13.135 1.00 0.00 N ATOM 621 NH2 ARG A 41 -16.929 23.973 -11.836 1.00 0.00 N ATOM 0 H ARG A 41 -11.268 18.715 -11.828 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.665 18.719 -10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.827 20.549 -12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.076 19.141 -13.176 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.977 18.406 -11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.670 19.677 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.186 20.332 -13.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.517 20.076 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.562 21.972 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.327 21.670 -13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.760 23.376 -13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.145 24.136 -11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.551 24.742 -12.085 1.00 0.00 H new ATOM 635 N MET A 42 -12.984 16.335 -10.712 1.00 0.00 N ATOM 636 CA MET A 42 -12.968 14.906 -10.992 1.00 0.00 C ATOM 637 C MET A 42 -14.092 14.482 -11.947 1.00 0.00 C ATOM 638 O MET A 42 -15.138 15.131 -12.042 1.00 0.00 O ATOM 639 CB MET A 42 -13.108 14.127 -9.682 1.00 0.00 C ATOM 640 CG MET A 42 -14.362 14.565 -8.913 1.00 0.00 C ATOM 641 SD MET A 42 -15.176 13.145 -8.161 1.00 0.00 S ATOM 642 CE MET A 42 -16.714 13.928 -7.645 1.00 0.00 C ATOM 0 H MET A 42 -12.803 16.572 -9.737 1.00 0.00 H new ATOM 0 HA MET A 42 -12.018 14.683 -11.477 1.00 0.00 H new ATOM 0 HB2 MET A 42 -13.161 13.059 -9.894 1.00 0.00 H new ATOM 0 HB3 MET A 42 -12.224 14.286 -9.064 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.089 15.285 -8.141 1.00 0.00 H new ATOM 0 HG3 MET A 42 -15.052 15.070 -9.589 1.00 0.00 H new ATOM 0 HE1 MET A 42 -17.351 13.192 -7.155 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.494 14.738 -6.950 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.229 14.329 -8.518 1.00 0.00 H new ATOM 652 N ARG A 43 -13.872 13.376 -12.646 1.00 0.00 N ATOM 653 CA ARG A 43 -14.862 12.872 -13.580 1.00 0.00 C ATOM 654 C ARG A 43 -15.775 11.872 -12.898 1.00 0.00 C ATOM 655 O ARG A 43 -16.979 12.077 -12.851 1.00 0.00 O ATOM 656 CB ARG A 43 -14.161 12.243 -14.783 1.00 0.00 C ATOM 657 CG ARG A 43 -14.012 13.256 -15.923 1.00 0.00 C ATOM 658 CD ARG A 43 -14.437 12.639 -17.259 1.00 0.00 C ATOM 659 NE ARG A 43 -13.265 12.277 -18.074 1.00 0.00 N ATOM 660 CZ ARG A 43 -13.275 12.055 -19.375 1.00 0.00 C ATOM 661 NH1 ARG A 43 -14.383 12.160 -20.063 1.00 0.00 N ATOM 662 NH2 ARG A 43 -12.170 11.754 -20.006 1.00 0.00 N ATOM 0 H ARG A 43 -13.022 12.816 -12.583 1.00 0.00 H new ATOM 0 HA ARG A 43 -15.478 13.700 -13.930 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.178 11.878 -14.486 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.730 11.381 -15.130 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.620 14.137 -15.715 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.976 13.591 -15.985 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.044 11.753 -17.077 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.060 13.345 -17.807 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.370 12.191 -17.592 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.252 12.416 -19.594 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.378 11.986 -21.068 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.291 11.689 -19.493 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.187 11.584 -21.012 1.00 0.00 H new ATOM 676 N GLU A 44 -15.175 10.804 -12.385 1.00 0.00 N ATOM 677 CA GLU A 44 -15.922 9.726 -11.754 1.00 0.00 C ATOM 678 C GLU A 44 -14.973 8.823 -10.982 1.00 0.00 C ATOM 679 O GLU A 44 -14.619 7.728 -11.409 1.00 0.00 O ATOM 680 CB GLU A 44 -16.737 8.921 -12.780 1.00 0.00 C ATOM 681 CG GLU A 44 -15.960 8.711 -14.086 1.00 0.00 C ATOM 682 CD GLU A 44 -16.623 7.643 -14.945 1.00 0.00 C ATOM 683 OE1 GLU A 44 -17.702 7.949 -15.504 1.00 0.00 O ATOM 684 OE2 GLU A 44 -16.010 6.564 -15.104 1.00 0.00 O ATOM 0 H GLU A 44 -14.165 10.663 -12.395 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.635 10.168 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -17.002 7.953 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.671 9.442 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.910 9.649 -14.639 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.935 8.418 -13.861 1.00 0.00 H new ATOM 691 N GLU A 45 -14.495 9.311 -9.843 1.00 0.00 N ATOM 692 CA GLU A 45 -13.603 8.533 -8.999 1.00 0.00 C ATOM 693 C GLU A 45 -14.188 8.368 -7.612 1.00 0.00 C ATOM 694 O GLU A 45 -14.779 9.298 -7.074 1.00 0.00 O ATOM 695 CB GLU A 45 -12.232 9.213 -8.929 1.00 0.00 C ATOM 696 CG GLU A 45 -11.452 9.005 -10.241 1.00 0.00 C ATOM 697 CD GLU A 45 -10.306 8.001 -10.047 1.00 0.00 C ATOM 698 OE1 GLU A 45 -9.325 8.350 -9.348 1.00 0.00 O ATOM 699 OE2 GLU A 45 -10.473 6.806 -10.382 1.00 0.00 O ATOM 0 H GLU A 45 -14.711 10.241 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.483 7.541 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.359 10.279 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.662 8.807 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.128 8.645 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.051 9.958 -10.585 1.00 0.00 H new ATOM 706 N ASP A 46 -13.963 7.201 -7.002 1.00 0.00 N ATOM 707 CA ASP A 46 -14.495 6.892 -5.676 1.00 0.00 C ATOM 708 C ASP A 46 -14.009 5.515 -5.226 1.00 0.00 C ATOM 709 O ASP A 46 -14.499 4.451 -5.611 1.00 0.00 O ATOM 710 CB ASP A 46 -16.037 6.897 -5.677 1.00 0.00 C ATOM 711 CG ASP A 46 -16.636 7.229 -4.311 1.00 0.00 C ATOM 712 OD1 ASP A 46 -16.264 8.285 -3.752 1.00 0.00 O ATOM 713 OD2 ASP A 46 -17.408 6.381 -3.800 1.00 0.00 O ATOM 0 H ASP A 46 -13.410 6.449 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.139 7.660 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.392 7.623 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.397 5.919 -5.997 1.00 0.00 H new ATOM 718 N HIS A 47 -12.882 5.486 -4.528 1.00 0.00 N ATOM 719 CA HIS A 47 -12.300 4.232 -4.077 1.00 0.00 C ATOM 720 C HIS A 47 -13.193 3.643 -2.998 1.00 0.00 C ATOM 721 O HIS A 47 -13.926 4.368 -2.336 1.00 0.00 O ATOM 722 CB HIS A 47 -10.873 4.458 -3.567 1.00 0.00 C ATOM 723 CG HIS A 47 -10.138 5.547 -4.331 1.00 0.00 C ATOM 724 ND1 HIS A 47 -10.417 5.941 -5.633 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.150 6.363 -3.854 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.591 6.946 -5.963 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.815 7.211 -4.892 1.00 0.00 N ATOM 0 H HIS A 47 -12.354 6.317 -4.262 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.236 3.528 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.908 4.723 -2.510 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.313 3.526 -3.644 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.131 5.534 -6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.718 6.348 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.554 7.452 -6.916 1.00 0.00 H new ATOM 736 N LYS A 48 -13.076 2.330 -2.792 1.00 0.00 N ATOM 737 CA LYS A 48 -13.852 1.622 -1.781 1.00 0.00 C ATOM 738 C LYS A 48 -13.456 0.168 -1.716 1.00 0.00 C ATOM 739 O LYS A 48 -12.952 -0.301 -0.712 1.00 0.00 O ATOM 740 CB LYS A 48 -15.357 1.768 -2.076 1.00 0.00 C ATOM 741 CG LYS A 48 -16.151 1.812 -0.766 1.00 0.00 C ATOM 742 CD LYS A 48 -17.325 2.790 -0.874 1.00 0.00 C ATOM 743 CE LYS A 48 -18.517 2.127 -1.575 1.00 0.00 C ATOM 744 NZ LYS A 48 -19.273 3.123 -2.368 1.00 0.00 N ATOM 0 H LYS A 48 -12.442 1.732 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.641 2.065 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.536 2.678 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.698 0.933 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.523 0.816 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.496 2.112 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.621 3.123 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.017 3.676 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.164 1.327 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.173 1.669 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.076 2.657 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.626 3.872 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.648 3.541 -3.087 1.00 0.00 H new ATOM 758 N GLN A 49 -13.534 -0.500 -2.859 1.00 0.00 N ATOM 759 CA GLN A 49 -13.146 -1.880 -2.970 1.00 0.00 C ATOM 760 C GLN A 49 -12.219 -2.030 -4.141 1.00 0.00 C ATOM 761 O GLN A 49 -11.829 -3.133 -4.422 1.00 0.00 O ATOM 762 CB GLN A 49 -14.370 -2.791 -3.137 1.00 0.00 C ATOM 763 CG GLN A 49 -14.301 -3.975 -2.157 1.00 0.00 C ATOM 764 CD GLN A 49 -15.652 -4.263 -1.518 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.408 -3.374 -1.168 1.00 0.00 O ATOM 766 NE2 GLN A 49 -15.988 -5.524 -1.400 1.00 0.00 N ATOM 0 H GLN A 49 -13.870 -0.090 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.638 -2.181 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.282 -2.220 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.417 -3.162 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.952 -4.863 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.570 -3.759 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.341 -6.254 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.896 -5.775 -1.010 1.00 0.00 H new ATOM 775 N LEU A 50 -11.800 -0.962 -4.811 1.00 0.00 N ATOM 776 CA LEU A 50 -10.846 -1.033 -5.895 1.00 0.00 C ATOM 777 C LEU A 50 -9.461 -1.394 -5.356 1.00 0.00 C ATOM 778 O LEU A 50 -8.549 -1.622 -6.119 1.00 0.00 O ATOM 779 CB LEU A 50 -10.841 0.320 -6.622 1.00 0.00 C ATOM 780 CG LEU A 50 -11.880 0.395 -7.757 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.218 1.859 -8.057 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.369 -0.321 -9.012 1.00 0.00 C ATOM 0 H LEU A 50 -12.121 -0.015 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.126 -1.814 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.039 1.114 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.848 0.502 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.789 -0.113 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.953 1.905 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.628 2.328 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.314 2.386 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.120 -0.255 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.446 0.151 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.177 -1.369 -8.781 1.00 0.00 H new ATOM 794 N CYS A 51 -9.281 -1.431 -4.041 1.00 0.00 N ATOM 795 CA CYS A 51 -8.055 -1.856 -3.428 1.00 0.00 C ATOM 796 C CYS A 51 -8.172 -3.294 -2.960 1.00 0.00 C ATOM 797 O CYS A 51 -7.234 -4.039 -3.152 1.00 0.00 O ATOM 798 CB CYS A 51 -7.711 -0.941 -2.271 1.00 0.00 C ATOM 799 SG CYS A 51 -9.039 -0.597 -1.085 1.00 0.00 S ATOM 0 H CYS A 51 -10.001 -1.160 -3.372 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.252 -1.801 -4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.874 -1.379 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.364 0.008 -2.679 1.00 0.00 H new ATOM 804 N CYS A 52 -9.327 -3.691 -2.421 1.00 0.00 N ATOM 805 CA CYS A 52 -9.551 -5.060 -1.994 1.00 0.00 C ATOM 806 C CYS A 52 -9.840 -5.956 -3.199 1.00 0.00 C ATOM 807 O CYS A 52 -9.441 -7.107 -3.235 1.00 0.00 O ATOM 808 CB CYS A 52 -10.701 -5.096 -0.984 1.00 0.00 C ATOM 809 SG CYS A 52 -11.030 -6.741 -0.307 1.00 0.00 S ATOM 0 H CYS A 52 -10.124 -3.072 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.652 -5.442 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.473 -4.415 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.606 -4.724 -1.465 1.00 0.00 H new ATOM 814 N MET A 53 -10.494 -5.407 -4.219 1.00 0.00 N ATOM 815 CA MET A 53 -10.860 -6.079 -5.437 1.00 0.00 C ATOM 816 C MET A 53 -9.611 -6.346 -6.246 1.00 0.00 C ATOM 817 O MET A 53 -9.331 -7.471 -6.580 1.00 0.00 O ATOM 818 CB MET A 53 -11.812 -5.234 -6.295 1.00 0.00 C ATOM 819 CG MET A 53 -12.036 -5.874 -7.658 1.00 0.00 C ATOM 820 SD MET A 53 -12.696 -7.549 -7.483 1.00 0.00 S ATOM 821 CE MET A 53 -11.585 -8.403 -8.620 1.00 0.00 C ATOM 0 H MET A 53 -10.793 -4.432 -4.206 1.00 0.00 H new ATOM 0 HA MET A 53 -11.367 -7.005 -5.165 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.767 -5.122 -5.781 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.400 -4.233 -6.423 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.727 -5.265 -8.241 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.096 -5.905 -8.209 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.391 -9.410 -8.251 1.00 0.00 H new ATOM 0 HE2 MET A 53 -12.047 -8.460 -9.606 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.645 -7.855 -8.691 1.00 0.00 H new ATOM 831 N GLN A 54 -8.882 -5.313 -6.644 1.00 0.00 N ATOM 832 CA GLN A 54 -7.703 -5.483 -7.464 1.00 0.00 C ATOM 833 C GLN A 54 -6.743 -6.455 -6.809 1.00 0.00 C ATOM 834 O GLN A 54 -6.292 -7.363 -7.475 1.00 0.00 O ATOM 835 CB GLN A 54 -7.004 -4.153 -7.634 1.00 0.00 C ATOM 836 CG GLN A 54 -7.829 -3.169 -8.430 1.00 0.00 C ATOM 837 CD GLN A 54 -7.618 -3.361 -9.910 1.00 0.00 C ATOM 838 OE1 GLN A 54 -6.735 -2.791 -10.513 1.00 0.00 O ATOM 839 NE2 GLN A 54 -8.465 -4.162 -10.512 1.00 0.00 N ATOM 0 H GLN A 54 -9.093 -4.344 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.010 -5.872 -8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.787 -3.731 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.047 -4.309 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.885 -3.296 -8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.558 -2.151 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.197 -4.627 -9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.391 -4.320 -11.517 1.00 0.00 H new ATOM 848 N LEU A 55 -6.465 -6.297 -5.508 1.00 0.00 N ATOM 849 CA LEU A 55 -5.587 -7.210 -4.794 1.00 0.00 C ATOM 850 C LEU A 55 -6.152 -8.628 -4.810 1.00 0.00 C ATOM 851 O LEU A 55 -5.408 -9.587 -4.735 1.00 0.00 O ATOM 852 CB LEU A 55 -5.436 -6.738 -3.364 1.00 0.00 C ATOM 853 CG LEU A 55 -4.140 -6.022 -3.005 1.00 0.00 C ATOM 854 CD1 LEU A 55 -4.332 -4.925 -1.962 1.00 0.00 C ATOM 855 CD2 LEU A 55 -3.094 -7.005 -2.512 1.00 0.00 C ATOM 0 H LEU A 55 -6.840 -5.541 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.615 -7.222 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.266 -6.069 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.537 -7.603 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.798 -5.547 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.373 -4.453 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.027 -4.177 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.733 -5.360 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.179 -6.468 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.466 -7.518 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.884 -7.736 -3.293 1.00 0.00 H new ATOM 867 N LYS A 56 -7.459 -8.772 -4.997 1.00 0.00 N ATOM 868 CA LYS A 56 -8.081 -10.060 -5.231 1.00 0.00 C ATOM 869 C LYS A 56 -7.535 -10.782 -6.466 1.00 0.00 C ATOM 870 O LYS A 56 -7.747 -11.976 -6.610 1.00 0.00 O ATOM 871 CB LYS A 56 -9.605 -9.899 -5.301 1.00 0.00 C ATOM 872 CG LYS A 56 -10.320 -11.131 -4.777 1.00 0.00 C ATOM 873 CD LYS A 56 -11.604 -10.746 -4.033 1.00 0.00 C ATOM 874 CE LYS A 56 -12.818 -10.861 -4.960 1.00 0.00 C ATOM 875 NZ LYS A 56 -14.050 -11.052 -4.163 1.00 0.00 N ATOM 0 H LYS A 56 -8.116 -7.992 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.827 -10.699 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.907 -9.027 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.905 -9.714 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.561 -11.796 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.659 -11.682 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.738 -11.395 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.521 -9.726 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.906 -9.962 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.685 -11.699 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.868 -11.129 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.967 -11.922 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.182 -10.239 -3.528 1.00 0.00 H new ATOM 889 N ASN A 57 -6.898 -10.045 -7.369 1.00 0.00 N ATOM 890 CA ASN A 57 -6.196 -10.570 -8.516 1.00 0.00 C ATOM 891 C ASN A 57 -4.705 -10.769 -8.255 1.00 0.00 C ATOM 892 O ASN A 57 -4.044 -11.431 -9.045 1.00 0.00 O ATOM 893 CB ASN A 57 -6.342 -9.590 -9.694 1.00 0.00 C ATOM 894 CG ASN A 57 -7.205 -10.167 -10.782 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.976 -11.233 -11.316 1.00 0.00 O ATOM 896 ND2 ASN A 57 -8.276 -9.473 -11.105 1.00 0.00 N ATOM 0 H ASN A 57 -6.860 -9.027 -7.313 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.638 -11.541 -8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.776 -8.655 -9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.357 -9.352 -10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.922 -9.830 -11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.460 -8.578 -10.651 1.00 0.00 H new ATOM 903 N LEU A 58 -4.165 -10.091 -7.235 1.00 0.00 N ATOM 904 CA LEU A 58 -2.789 -10.254 -6.828 1.00 0.00 C ATOM 905 C LEU A 58 -2.497 -11.707 -6.424 1.00 0.00 C ATOM 906 O LEU A 58 -3.306 -12.614 -6.579 1.00 0.00 O ATOM 907 CB LEU A 58 -2.432 -9.237 -5.724 1.00 0.00 C ATOM 908 CG LEU A 58 -1.534 -8.094 -6.187 1.00 0.00 C ATOM 909 CD1 LEU A 58 -1.285 -7.122 -5.041 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.198 -8.620 -6.682 1.00 0.00 C ATOM 0 H LEU A 58 -4.683 -9.414 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.141 -10.042 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.354 -8.818 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.938 -9.764 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.043 -7.582 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.643 -6.311 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.235 -6.712 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.799 -7.646 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.424 -7.786 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.304 -9.155 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.362 -9.298 -7.520 1.00 0.00 H new ATOM 922 N ASP A 59 -1.300 -11.932 -5.903 1.00 0.00 N ATOM 923 CA ASP A 59 -0.912 -13.253 -5.466 1.00 0.00 C ATOM 924 C ASP A 59 -1.035 -13.358 -3.967 1.00 0.00 C ATOM 925 O ASP A 59 -0.538 -12.480 -3.263 1.00 0.00 O ATOM 926 CB ASP A 59 0.539 -13.503 -5.876 1.00 0.00 C ATOM 927 CG ASP A 59 0.722 -14.856 -6.553 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.282 -15.863 -5.954 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.451 -14.878 -7.563 1.00 0.00 O ATOM 0 H ASP A 59 -0.586 -11.215 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.564 -13.995 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.865 -12.713 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.178 -13.451 -4.994 1.00 0.00 H new ATOM 934 N GLU A 60 -1.528 -14.475 -3.449 1.00 0.00 N ATOM 935 CA GLU A 60 -1.640 -14.693 -2.009 1.00 0.00 C ATOM 936 C GLU A 60 -0.269 -14.749 -1.344 1.00 0.00 C ATOM 937 O GLU A 60 -0.145 -14.650 -0.125 1.00 0.00 O ATOM 938 CB GLU A 60 -2.403 -15.995 -1.743 1.00 0.00 C ATOM 939 CG GLU A 60 -3.625 -15.731 -0.858 1.00 0.00 C ATOM 940 CD GLU A 60 -4.660 -16.847 -0.988 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.081 -17.132 -2.130 1.00 0.00 O ATOM 942 OE2 GLU A 60 -4.994 -17.434 0.065 1.00 0.00 O ATOM 0 H GLU A 60 -1.862 -15.256 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.185 -13.852 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.720 -16.437 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.745 -16.716 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.311 -15.644 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.078 -14.779 -1.135 1.00 0.00 H new ATOM 949 N LYS A 61 0.784 -14.877 -2.154 1.00 0.00 N ATOM 950 CA LYS A 61 2.147 -14.839 -1.688 1.00 0.00 C ATOM 951 C LYS A 61 2.761 -13.469 -1.876 1.00 0.00 C ATOM 952 O LYS A 61 3.827 -13.239 -1.336 1.00 0.00 O ATOM 953 CB LYS A 61 2.943 -15.916 -2.423 1.00 0.00 C ATOM 954 CG LYS A 61 3.001 -17.180 -1.557 1.00 0.00 C ATOM 955 CD LYS A 61 3.486 -18.374 -2.383 1.00 0.00 C ATOM 956 CE LYS A 61 2.309 -19.034 -3.116 1.00 0.00 C ATOM 957 NZ LYS A 61 2.773 -20.207 -3.890 1.00 0.00 N ATOM 0 H LYS A 61 0.699 -15.011 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 61 2.169 -15.040 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.476 -16.139 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.951 -15.559 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.671 -17.019 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.014 -17.392 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.233 -18.045 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.971 -19.101 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.551 -19.343 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.839 -18.313 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.965 -20.642 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.480 -19.903 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.201 -20.901 -3.245 1.00 0.00 H new ATOM 971 N CYS A 62 2.120 -12.566 -2.609 1.00 0.00 N ATOM 972 CA CYS A 62 2.519 -11.186 -2.766 1.00 0.00 C ATOM 973 C CYS A 62 1.602 -10.265 -1.953 1.00 0.00 C ATOM 974 O CYS A 62 1.923 -9.114 -1.669 1.00 0.00 O ATOM 975 CB CYS A 62 2.501 -10.834 -4.249 1.00 0.00 C ATOM 976 SG CYS A 62 3.896 -11.511 -5.179 1.00 0.00 S ATOM 0 H CYS A 62 1.273 -12.793 -3.129 1.00 0.00 H new ATOM 0 HA CYS A 62 3.530 -11.045 -2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.573 -11.199 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.498 -9.749 -4.355 1.00 0.00 H new ATOM 981 N MET A 63 0.497 -10.766 -1.443 1.00 0.00 N ATOM 982 CA MET A 63 -0.446 -9.990 -0.696 1.00 0.00 C ATOM 983 C MET A 63 -0.039 -9.978 0.757 1.00 0.00 C ATOM 984 O MET A 63 -0.672 -10.590 1.582 1.00 0.00 O ATOM 985 CB MET A 63 -1.831 -10.591 -0.866 1.00 0.00 C ATOM 986 CG MET A 63 -2.400 -10.380 -2.255 1.00 0.00 C ATOM 987 SD MET A 63 -3.412 -11.736 -2.850 1.00 0.00 S ATOM 988 CE MET A 63 -4.454 -12.001 -1.420 1.00 0.00 C ATOM 0 H MET A 63 0.232 -11.746 -1.543 1.00 0.00 H new ATOM 0 HA MET A 63 -0.465 -8.963 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.786 -11.660 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.505 -10.150 -0.132 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.997 -9.468 -2.256 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.577 -10.223 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.124 -12.840 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.832 -12.221 -0.552 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.042 -11.104 -1.227 1.00 0.00 H new ATOM 998 N CYS A 64 1.027 -9.280 1.106 1.00 0.00 N ATOM 999 CA CYS A 64 1.580 -9.254 2.453 1.00 0.00 C ATOM 1000 C CYS A 64 3.014 -8.779 2.380 1.00 0.00 C ATOM 1001 O CYS A 64 3.329 -7.723 2.933 1.00 0.00 O ATOM 1002 CB CYS A 64 1.499 -10.605 3.208 1.00 0.00 C ATOM 1003 SG CYS A 64 2.924 -11.081 4.263 1.00 0.00 S ATOM 0 H CYS A 64 1.546 -8.701 0.446 1.00 0.00 H new ATOM 0 HA CYS A 64 0.964 -8.567 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.609 -10.585 3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.350 -11.393 2.470 1.00 0.00 H new ATOM 1008 N PRO A 65 3.868 -9.524 1.653 1.00 0.00 N ATOM 1009 CA PRO A 65 5.271 -9.181 1.521 1.00 0.00 C ATOM 1010 C PRO A 65 5.454 -8.030 0.543 1.00 0.00 C ATOM 1011 O PRO A 65 6.346 -7.204 0.705 1.00 0.00 O ATOM 1012 CB PRO A 65 5.968 -10.451 1.026 1.00 0.00 C ATOM 1013 CG PRO A 65 4.869 -11.338 0.462 1.00 0.00 C ATOM 1014 CD PRO A 65 3.555 -10.753 0.924 1.00 0.00 C ATOM 0 HA PRO A 65 5.695 -8.846 2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.711 -10.217 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.494 -10.950 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.917 -11.368 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.981 -12.363 0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.906 -10.543 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.023 -11.457 1.564 1.00 0.00 H new ATOM 1022 N ALA A 66 4.581 -7.944 -0.458 1.00 0.00 N ATOM 1023 CA ALA A 66 4.626 -6.884 -1.414 1.00 0.00 C ATOM 1024 C ALA A 66 4.028 -5.634 -0.834 1.00 0.00 C ATOM 1025 O ALA A 66 4.663 -4.598 -0.939 1.00 0.00 O ATOM 1026 CB ALA A 66 3.861 -7.316 -2.642 1.00 0.00 C ATOM 0 H ALA A 66 3.830 -8.616 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 66 5.660 -6.667 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.884 -6.518 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.319 -8.213 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.827 -7.529 -2.370 1.00 0.00 H new ATOM 1032 N ILE A 67 2.835 -5.734 -0.235 1.00 0.00 N ATOM 1033 CA ILE A 67 2.161 -4.621 0.391 1.00 0.00 C ATOM 1034 C ILE A 67 3.176 -3.800 1.155 1.00 0.00 C ATOM 1035 O ILE A 67 3.217 -2.615 0.955 1.00 0.00 O ATOM 1036 CB ILE A 67 1.042 -5.101 1.316 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.235 -5.349 0.489 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.826 -4.107 2.473 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.495 -4.974 1.262 1.00 0.00 C ATOM 0 H ILE A 67 2.314 -6.609 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 67 1.699 -4.004 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 67 1.323 -6.047 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.189 -4.769 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.284 -6.400 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.025 -4.468 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.745 -4.016 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.554 -3.132 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.372 -5.164 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.556 -5.572 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.459 -3.917 1.525 1.00 0.00 H new ATOM 1051 N MET A 68 4.017 -4.404 1.985 1.00 0.00 N ATOM 1052 CA MET A 68 5.051 -3.697 2.717 1.00 0.00 C ATOM 1053 C MET A 68 5.790 -2.695 1.846 1.00 0.00 C ATOM 1054 O MET A 68 5.692 -1.499 2.104 1.00 0.00 O ATOM 1055 CB MET A 68 6.039 -4.718 3.266 1.00 0.00 C ATOM 1056 CG MET A 68 5.824 -4.905 4.758 1.00 0.00 C ATOM 1057 SD MET A 68 6.448 -3.476 5.668 1.00 0.00 S ATOM 1058 CE MET A 68 6.574 -4.199 7.308 1.00 0.00 C ATOM 0 H MET A 68 3.997 -5.407 2.168 1.00 0.00 H new ATOM 0 HA MET A 68 4.577 -3.137 3.523 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.913 -5.670 2.751 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.060 -4.386 3.077 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.762 -5.040 4.965 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.332 -5.809 5.095 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.948 -3.451 8.008 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.591 -4.540 7.632 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.260 -5.045 7.281 1.00 0.00 H new ATOM 1068 N MET A 69 6.363 -3.176 0.739 1.00 0.00 N ATOM 1069 CA MET A 69 7.023 -2.333 -0.231 1.00 0.00 C ATOM 1070 C MET A 69 6.115 -1.281 -0.859 1.00 0.00 C ATOM 1071 O MET A 69 6.573 -0.210 -1.245 1.00 0.00 O ATOM 1072 CB MET A 69 7.586 -3.212 -1.351 1.00 0.00 C ATOM 1073 CG MET A 69 8.864 -3.907 -0.905 1.00 0.00 C ATOM 1074 SD MET A 69 10.146 -2.696 -0.510 1.00 0.00 S ATOM 1075 CE MET A 69 11.528 -3.798 -0.225 1.00 0.00 C ATOM 0 H MET A 69 6.376 -4.168 0.500 1.00 0.00 H new ATOM 0 HA MET A 69 7.805 -1.799 0.308 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.845 -3.956 -1.642 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.787 -2.602 -2.231 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.661 -4.527 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.216 -4.572 -1.693 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.412 -3.214 0.033 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.290 -4.476 0.594 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.725 -4.375 -1.128 1.00 0.00 H new ATOM 1085 N MET A 70 4.822 -1.563 -0.946 1.00 0.00 N ATOM 1086 CA MET A 70 3.842 -0.621 -1.426 1.00 0.00 C ATOM 1087 C MET A 70 3.839 0.662 -0.600 1.00 0.00 C ATOM 1088 O MET A 70 3.570 1.756 -1.092 1.00 0.00 O ATOM 1089 CB MET A 70 2.460 -1.284 -1.414 1.00 0.00 C ATOM 1090 CG MET A 70 1.475 -0.682 -0.415 1.00 0.00 C ATOM 1091 SD MET A 70 0.091 -1.717 0.056 1.00 0.00 S ATOM 1092 CE MET A 70 -0.990 -0.503 0.792 1.00 0.00 C ATOM 0 H MET A 70 4.428 -2.465 -0.680 1.00 0.00 H new ATOM 0 HA MET A 70 4.101 -0.337 -2.446 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.030 -1.216 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.582 -2.344 -1.190 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.024 -0.413 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.082 0.243 -0.837 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.967 -0.950 0.976 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.564 -0.161 1.735 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.100 0.344 0.115 1.00 0.00 H new ATOM 1102 N LEU A 71 4.013 0.517 0.716 1.00 0.00 N ATOM 1103 CA LEU A 71 3.991 1.614 1.633 1.00 0.00 C ATOM 1104 C LEU A 71 5.391 2.157 1.803 1.00 0.00 C ATOM 1105 O LEU A 71 5.663 2.843 2.778 1.00 0.00 O ATOM 1106 CB LEU A 71 3.318 1.218 2.956 1.00 0.00 C ATOM 1107 CG LEU A 71 1.960 0.539 2.842 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.136 -0.955 2.944 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.000 0.989 3.923 1.00 0.00 C ATOM 0 H LEU A 71 4.174 -0.386 1.161 1.00 0.00 H new ATOM 0 HA LEU A 71 3.380 2.421 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.990 0.551 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.203 2.115 3.564 1.00 0.00 H new ATOM 0 HG LEU A 71 1.538 0.818 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.164 -1.442 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.784 -1.301 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.587 -1.203 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.046 0.477 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.416 0.749 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.846 2.065 3.848 1.00 0.00 H new ATOM 1121 N ASN A 72 6.264 1.856 0.851 1.00 0.00 N ATOM 1122 CA ASN A 72 7.634 2.291 0.830 1.00 0.00 C ATOM 1123 C ASN A 72 8.024 2.787 -0.546 1.00 0.00 C ATOM 1124 O ASN A 72 9.210 2.942 -0.834 1.00 0.00 O ATOM 1125 CB ASN A 72 8.531 1.125 1.241 1.00 0.00 C ATOM 1126 CG ASN A 72 8.159 0.529 2.578 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.185 -0.670 2.779 1.00 0.00 O ATOM 1128 ND2 ASN A 72 7.934 1.368 3.565 1.00 0.00 N ATOM 0 H ASN A 72 6.017 1.280 0.046 1.00 0.00 H new ATOM 0 HA ASN A 72 7.755 3.118 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.479 0.349 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.565 1.467 1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.779 1.015 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.914 2.372 3.386 1.00 0.00 H new ATOM 1135 N GLU A 73 7.029 2.972 -1.415 1.00 0.00 N ATOM 1136 CA GLU A 73 7.270 3.421 -2.759 1.00 0.00 C ATOM 1137 C GLU A 73 7.920 4.810 -2.760 1.00 0.00 C ATOM 1138 O GLU A 73 8.020 5.492 -1.729 1.00 0.00 O ATOM 1139 CB GLU A 73 5.942 3.406 -3.546 1.00 0.00 C ATOM 1140 CG GLU A 73 5.975 2.337 -4.633 1.00 0.00 C ATOM 1141 CD GLU A 73 4.638 2.130 -5.307 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.747 1.586 -4.616 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.520 2.560 -6.473 1.00 0.00 O ATOM 0 H GLU A 73 6.046 2.812 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 73 7.970 2.745 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.112 3.215 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.768 4.384 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.714 2.615 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.304 1.394 -4.196 1.00 0.00 H new ATOM 1150 N PRO A 74 8.268 5.316 -3.951 1.00 0.00 N ATOM 1151 CA PRO A 74 8.819 6.648 -4.098 1.00 0.00 C ATOM 1152 C PRO A 74 7.776 7.742 -3.897 1.00 0.00 C ATOM 1153 O PRO A 74 8.073 8.925 -4.067 1.00 0.00 O ATOM 1154 CB PRO A 74 9.419 6.682 -5.503 1.00 0.00 C ATOM 1155 CG PRO A 74 8.751 5.551 -6.285 1.00 0.00 C ATOM 1156 CD PRO A 74 8.071 4.689 -5.250 1.00 0.00 C ATOM 0 HA PRO A 74 9.568 6.848 -3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.236 7.645 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.500 6.544 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.031 5.943 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.486 4.978 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.008 4.593 -5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.490 3.683 -5.256 1.00 0.00 H new ATOM 1164 N MET A 75 6.563 7.359 -3.503 1.00 0.00 N ATOM 1165 CA MET A 75 5.480 8.266 -3.230 1.00 0.00 C ATOM 1166 C MET A 75 4.854 7.999 -1.876 1.00 0.00 C ATOM 1167 O MET A 75 3.863 8.634 -1.546 1.00 0.00 O ATOM 1168 CB MET A 75 4.431 8.105 -4.328 1.00 0.00 C ATOM 1169 CG MET A 75 4.272 9.401 -5.112 1.00 0.00 C ATOM 1170 SD MET A 75 2.730 9.372 -6.046 1.00 0.00 S ATOM 1171 CE MET A 75 2.989 10.811 -7.091 1.00 0.00 C ATOM 0 H MET A 75 6.312 6.380 -3.365 1.00 0.00 H new ATOM 0 HA MET A 75 5.868 9.285 -3.213 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.723 7.300 -5.002 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.476 7.821 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.278 10.251 -4.430 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.115 9.531 -5.790 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.126 10.948 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.117 11.696 -6.467 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.882 10.664 -7.698 1.00 0.00 H new ATOM 1181 N TRP A 76 5.418 7.082 -1.092 1.00 0.00 N ATOM 1182 CA TRP A 76 4.992 6.758 0.242 1.00 0.00 C ATOM 1183 C TRP A 76 6.084 6.926 1.278 1.00 0.00 C ATOM 1184 O TRP A 76 6.773 5.967 1.600 1.00 0.00 O ATOM 1185 CB TRP A 76 4.373 5.371 0.230 1.00 0.00 C ATOM 1186 CG TRP A 76 3.042 5.323 -0.462 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.766 4.784 -1.669 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.784 5.848 0.020 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.413 4.910 -1.938 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.767 5.563 -0.920 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.390 6.404 1.240 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.568 5.853 -0.679 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 0.070 6.754 1.483 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -0.897 6.477 0.528 1.00 0.00 C ATOM 0 H TRP A 76 6.219 6.528 -1.395 1.00 0.00 H new ATOM 0 HA TRP A 76 4.234 7.475 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.056 4.680 -0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.254 5.024 1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.490 4.324 -2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.957 4.563 -2.782 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.129 6.565 2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.330 5.604 -1.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.203 7.239 2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.924 6.749 0.721 1.00 0.00 H new ATOM 1205 N ILE A 77 6.279 8.170 1.751 1.00 0.00 N ATOM 1206 CA ILE A 77 7.430 8.497 2.599 1.00 0.00 C ATOM 1207 C ILE A 77 6.906 8.748 3.977 1.00 0.00 C ATOM 1208 O ILE A 77 6.014 8.043 4.411 1.00 0.00 O ATOM 1209 CB ILE A 77 8.312 9.629 2.028 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.393 9.631 0.499 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.720 9.565 2.651 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.479 8.217 -0.081 1.00 0.00 C ATOM 0 H ILE A 77 5.658 8.956 1.560 1.00 0.00 H new ATOM 0 HA ILE A 77 8.127 7.660 2.632 1.00 0.00 H new ATOM 0 HB ILE A 77 7.831 10.568 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.517 10.135 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.265 10.204 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.335 10.367 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.645 9.680 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.177 8.603 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.534 8.272 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.370 7.720 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.594 7.650 0.209 1.00 0.00 H new ATOM 1224 N ARG A 78 7.352 9.808 4.632 1.00 0.00 N ATOM 1225 CA ARG A 78 6.858 10.242 5.915 1.00 0.00 C ATOM 1226 C ARG A 78 5.348 10.239 5.973 1.00 0.00 C ATOM 1227 O ARG A 78 4.776 9.716 6.885 1.00 0.00 O ATOM 1228 CB ARG A 78 7.315 11.654 6.246 1.00 0.00 C ATOM 1229 CG ARG A 78 7.067 12.616 5.068 1.00 0.00 C ATOM 1230 CD ARG A 78 8.238 13.579 4.902 1.00 0.00 C ATOM 1231 NE ARG A 78 8.146 14.667 5.886 1.00 0.00 N ATOM 1232 CZ ARG A 78 7.216 15.611 5.900 1.00 0.00 C ATOM 1233 NH1 ARG A 78 6.281 15.645 4.979 1.00 0.00 N ATOM 1234 NH2 ARG A 78 7.212 16.530 6.825 1.00 0.00 N ATOM 0 H ARG A 78 8.093 10.406 4.267 1.00 0.00 H new ATOM 0 HA ARG A 78 7.263 9.531 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.784 12.012 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.376 11.646 6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.926 12.046 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.149 13.178 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.179 13.044 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.239 13.991 3.893 1.00 0.00 H new ATOM 0 HE ARG A 78 8.856 14.698 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.265 14.940 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.571 16.377 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.930 16.528 7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.491 17.251 6.824 1.00 0.00 H new ATOM 1248 N MET A 79 4.682 10.789 4.973 1.00 0.00 N ATOM 1249 CA MET A 79 3.242 10.764 4.858 1.00 0.00 C ATOM 1250 C MET A 79 2.671 9.400 5.166 1.00 0.00 C ATOM 1251 O MET A 79 1.695 9.343 5.900 1.00 0.00 O ATOM 1252 CB MET A 79 2.811 11.159 3.447 1.00 0.00 C ATOM 1253 CG MET A 79 3.905 10.867 2.410 1.00 0.00 C ATOM 1254 SD MET A 79 3.251 10.551 0.785 1.00 0.00 S ATOM 1255 CE MET A 79 2.507 8.955 1.163 1.00 0.00 C ATOM 0 H MET A 79 5.142 11.275 4.203 1.00 0.00 H new ATOM 0 HA MET A 79 2.859 11.478 5.587 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.904 10.617 3.180 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.566 12.221 3.426 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.589 11.714 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.487 10.005 2.736 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.444 8.358 0.253 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.120 8.433 1.898 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.506 9.107 1.567 1.00 0.00 H new ATOM 1265 N ARG A 80 3.300 8.348 4.620 1.00 0.00 N ATOM 1266 CA ARG A 80 2.980 6.990 4.899 1.00 0.00 C ATOM 1267 C ARG A 80 3.079 6.690 6.370 1.00 0.00 C ATOM 1268 O ARG A 80 2.157 6.040 6.784 1.00 0.00 O ATOM 1269 CB ARG A 80 3.820 5.973 4.158 1.00 0.00 C ATOM 1270 CG ARG A 80 3.315 4.554 4.391 1.00 0.00 C ATOM 1271 CD ARG A 80 1.963 4.328 3.741 1.00 0.00 C ATOM 1272 NE ARG A 80 2.035 3.921 2.348 1.00 0.00 N ATOM 1273 CZ ARG A 80 1.053 3.451 1.587 1.00 0.00 C ATOM 1274 NH1 ARG A 80 -0.173 3.417 2.040 1.00 0.00 N ATOM 1275 NH2 ARG A 80 1.269 2.996 0.384 1.00 0.00 N ATOM 0 H ARG A 80 4.066 8.451 3.954 1.00 0.00 H new ATOM 0 HA ARG A 80 1.954 6.890 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.804 6.195 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.857 6.049 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.035 3.841 3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.241 4.365 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.424 3.566 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.380 5.247 3.810 1.00 0.00 H new ATOM 0 HE ARG A 80 2.948 4.006 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.378 3.752 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.924 3.055 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.215 2.994 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.492 2.642 -0.174 1.00 0.00 H new ATOM 1289 N ASP A 81 4.114 7.096 7.086 1.00 0.00 N ATOM 1290 CA ASP A 81 4.299 6.895 8.529 1.00 0.00 C ATOM 1291 C ASP A 81 2.984 6.662 9.273 1.00 0.00 C ATOM 1292 O ASP A 81 2.721 5.585 9.790 1.00 0.00 O ATOM 1293 CB ASP A 81 4.944 8.125 9.165 1.00 0.00 C ATOM 1294 CG ASP A 81 5.429 7.888 10.582 1.00 0.00 C ATOM 1295 OD1 ASP A 81 5.481 6.716 10.999 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.747 8.913 11.219 1.00 0.00 O ATOM 0 H ASP A 81 4.892 7.601 6.663 1.00 0.00 H new ATOM 0 HA ASP A 81 4.930 6.011 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.785 8.443 8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.224 8.943 9.168 1.00 0.00 H new ATOM 1301 N GLN A 82 2.086 7.648 9.176 1.00 0.00 N ATOM 1302 CA GLN A 82 0.779 7.554 9.758 1.00 0.00 C ATOM 1303 C GLN A 82 -0.082 6.540 9.086 1.00 0.00 C ATOM 1304 O GLN A 82 -0.331 5.512 9.698 1.00 0.00 O ATOM 1305 CB GLN A 82 0.055 8.884 9.749 1.00 0.00 C ATOM 1306 CG GLN A 82 0.806 9.907 10.577 1.00 0.00 C ATOM 1307 CD GLN A 82 1.288 9.325 11.899 1.00 0.00 C ATOM 1308 OE1 GLN A 82 0.508 9.002 12.780 1.00 0.00 O ATOM 1309 NE2 GLN A 82 2.581 9.117 12.000 1.00 0.00 N ATOM 0 H GLN A 82 2.262 8.526 8.688 1.00 0.00 H new ATOM 0 HA GLN A 82 0.951 7.240 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.047 9.242 8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.953 8.758 10.144 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.661 10.276 10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.159 10.762 10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.204 9.400 11.243 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.962 8.672 12.835 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.582 6.821 7.882 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.340 5.911 7.023 1.00 0.00 C ATOM 1320 C VAL A 83 -0.892 4.473 7.182 1.00 0.00 C ATOM 1321 O VAL A 83 -1.688 3.567 7.045 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.268 6.306 5.526 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.329 7.479 5.288 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.914 5.158 4.603 1.00 0.00 C ATOM 0 H VAL A 83 -0.462 7.740 7.457 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.375 5.998 7.352 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.284 6.611 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.310 7.720 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.678 8.345 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.676 7.214 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.883 5.515 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.062 4.758 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.666 4.374 4.693 1.00 0.00 H new ATOM 1334 N MET A 84 0.397 4.214 7.335 1.00 0.00 N ATOM 1335 CA MET A 84 1.011 2.947 7.610 1.00 0.00 C ATOM 1336 C MET A 84 0.192 2.123 8.591 1.00 0.00 C ATOM 1337 O MET A 84 0.073 0.914 8.407 1.00 0.00 O ATOM 1338 CB MET A 84 2.400 3.147 8.217 1.00 0.00 C ATOM 1339 CG MET A 84 3.349 2.059 7.761 1.00 0.00 C ATOM 1340 SD MET A 84 4.793 1.940 8.829 1.00 0.00 S ATOM 1341 CE MET A 84 5.766 3.308 8.150 1.00 0.00 C ATOM 0 H MET A 84 1.091 4.958 7.261 1.00 0.00 H new ATOM 0 HA MET A 84 1.076 2.419 6.659 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.791 4.122 7.927 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.330 3.142 9.305 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.826 1.103 7.749 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.669 2.261 6.739 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.650 2.913 7.649 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.161 3.864 7.434 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.074 3.972 8.958 1.00 0.00 H new ATOM 1351 N SER A 85 -0.515 2.780 9.515 1.00 0.00 N ATOM 1352 CA SER A 85 -1.481 2.203 10.406 1.00 0.00 C ATOM 1353 C SER A 85 -2.892 2.179 9.818 1.00 0.00 C ATOM 1354 O SER A 85 -3.878 2.390 10.510 1.00 0.00 O ATOM 1355 CB SER A 85 -1.449 2.942 11.741 1.00 0.00 C ATOM 1356 OG SER A 85 -2.194 2.206 12.697 1.00 0.00 O ATOM 0 H SER A 85 -0.410 3.785 9.656 1.00 0.00 H new ATOM 0 HA SER A 85 -1.207 1.160 10.563 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.420 3.063 12.079 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.867 3.942 11.627 1.00 0.00 H new ATOM 0 HG SER A 85 -3.071 1.978 12.324 1.00 0.00 H new ATOM 1362 N MET A 86 -3.025 1.836 8.544 1.00 0.00 N ATOM 1363 CA MET A 86 -4.295 1.793 7.870 1.00 0.00 C ATOM 1364 C MET A 86 -4.245 0.853 6.700 1.00 0.00 C ATOM 1365 O MET A 86 -5.050 -0.052 6.625 1.00 0.00 O ATOM 1366 CB MET A 86 -4.683 3.170 7.355 1.00 0.00 C ATOM 1367 CG MET A 86 -5.484 3.963 8.365 1.00 0.00 C ATOM 1368 SD MET A 86 -7.048 3.134 8.686 1.00 0.00 S ATOM 1369 CE MET A 86 -7.771 4.330 9.812 1.00 0.00 C ATOM 0 H MET A 86 -2.237 1.578 7.950 1.00 0.00 H new ATOM 0 HA MET A 86 -5.033 1.448 8.594 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.781 3.724 7.096 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.265 3.061 6.440 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.919 4.066 9.292 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.666 4.970 7.989 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.757 3.986 10.125 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.130 4.439 10.687 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.866 5.292 9.309 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.206 0.924 5.876 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.021 -0.005 4.784 1.00 0.00 C ATOM 1381 C ALA A 87 -2.452 -1.332 5.280 1.00 0.00 C ATOM 1382 O ALA A 87 -2.085 -2.175 4.485 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.112 0.644 3.754 1.00 0.00 C ATOM 0 H ALA A 87 -2.473 1.629 5.952 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.983 -0.234 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.959 -0.041 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.573 1.562 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.151 0.878 4.212 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.315 -1.503 6.587 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.864 -2.735 7.177 1.00 0.00 C ATOM 1391 C HIS A 88 -3.045 -3.534 7.692 1.00 0.00 C ATOM 1392 O HIS A 88 -2.937 -4.726 7.848 1.00 0.00 O ATOM 1393 CB HIS A 88 -0.863 -2.412 8.284 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.459 -1.987 9.609 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.398 -1.016 9.831 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -1.137 -2.547 10.824 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -2.632 -0.959 11.191 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -1.847 -1.895 11.773 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.520 -0.773 7.269 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.365 -3.352 6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.241 -3.291 8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.205 -1.618 7.932 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.444 -3.359 10.990 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.315 -0.292 11.696 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.798 -2.081 12.775 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.155 -2.870 8.005 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.376 -3.510 8.439 1.00 0.00 C ATOM 1409 C ASN A 89 -6.453 -3.422 7.377 1.00 0.00 C ATOM 1410 O ASN A 89 -7.378 -4.200 7.407 1.00 0.00 O ATOM 1411 CB ASN A 89 -5.905 -2.825 9.693 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.307 -3.446 10.933 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -4.007 -3.595 10.929 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -5.951 -3.771 11.903 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.224 -1.853 7.960 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.141 -4.556 8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.666 -1.762 9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.991 -2.906 9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.964 -3.654 11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.481 -4.162 12.720 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.317 -2.506 6.427 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.214 -2.389 5.301 1.00 0.00 C ATOM 1423 C LEU A 90 -7.173 -3.648 4.426 1.00 0.00 C ATOM 1424 O LEU A 90 -8.210 -4.211 4.093 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.873 -1.134 4.478 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.576 0.129 4.980 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.009 1.341 4.246 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.078 0.029 4.780 1.00 0.00 C ATOM 0 H LEU A 90 -5.566 -1.816 6.424 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.230 -2.288 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.795 -0.975 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.148 -1.305 3.437 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.396 0.239 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.505 2.245 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.939 1.416 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.177 1.229 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.555 0.939 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.296 -0.095 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.462 -0.829 5.332 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.968 -4.116 4.044 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.832 -5.327 3.259 1.00 0.00 C ATOM 1442 C PRO A 91 -6.068 -6.576 4.095 1.00 0.00 C ATOM 1443 O PRO A 91 -6.372 -7.634 3.545 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.411 -5.291 2.711 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.642 -4.322 3.585 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.669 -3.567 4.381 1.00 0.00 C ATOM 0 HA PRO A 91 -6.576 -5.368 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.959 -6.282 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.404 -4.966 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.954 -4.853 4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.043 -3.642 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.476 -3.666 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.630 -2.503 4.147 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.906 -6.471 5.411 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.162 -7.572 6.308 1.00 0.00 C ATOM 1456 C ILE A 92 -7.639 -7.753 6.539 1.00 0.00 C ATOM 1457 O ILE A 92 -8.083 -8.889 6.421 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.428 -7.342 7.629 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.957 -7.718 7.474 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.109 -8.085 8.784 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.342 -8.337 8.721 1.00 0.00 C ATOM 0 H ILE A 92 -5.594 -5.618 5.876 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.789 -8.488 5.851 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.475 -6.283 7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.857 -8.419 6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.391 -6.826 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.562 -7.900 9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.134 -7.729 8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.116 -9.155 8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.296 -8.576 8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.408 -7.630 9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.881 -9.248 8.979 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.360 -6.669 6.833 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.799 -6.690 7.060 1.00 0.00 C ATOM 1475 C GLU A 93 -10.521 -7.432 5.942 1.00 0.00 C ATOM 1476 O GLU A 93 -11.595 -7.980 6.156 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.359 -5.257 7.156 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.404 -4.762 8.609 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.838 -4.421 9.024 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.323 -3.355 8.581 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.420 -5.219 9.794 1.00 0.00 O ATOM 0 H GLU A 93 -7.950 -5.739 6.920 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.970 -7.211 8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.741 -4.584 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.362 -5.229 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.002 -5.528 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.770 -3.882 8.718 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.903 -7.480 4.754 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.374 -8.291 3.676 1.00 0.00 C ATOM 1490 C CYS A 94 -9.830 -9.709 3.807 1.00 0.00 C ATOM 1491 O CYS A 94 -10.473 -10.551 4.423 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.990 -7.618 2.357 1.00 0.00 C ATOM 1493 SG CYS A 94 -11.254 -6.508 1.704 1.00 0.00 S ATOM 0 H CYS A 94 -9.061 -6.947 4.535 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.460 -8.381 3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.068 -7.056 2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.780 -8.389 1.615 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.673 -9.971 3.184 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.034 -11.271 3.146 1.00 0.00 C ATOM 1500 C ASN A 95 -6.805 -11.255 2.237 1.00 0.00 C ATOM 1501 O ASN A 95 -6.520 -12.223 1.535 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.021 -12.359 2.663 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.821 -13.621 3.463 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.753 -14.213 3.973 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.583 -14.044 3.607 1.00 0.00 N ATOM 0 H ASN A 95 -8.149 -9.255 2.681 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.716 -11.506 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.047 -12.007 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.864 -12.561 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.391 -14.883 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.815 -13.533 3.171 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.136 -10.109 2.168 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.008 -9.950 1.291 1.00 0.00 C ATOM 1514 C LEU A 96 -3.770 -10.340 2.061 1.00 0.00 C ATOM 1515 O LEU A 96 -3.184 -11.366 1.776 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.954 -8.546 0.712 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.314 -8.021 0.228 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.224 -6.529 -0.024 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.810 -8.781 -0.998 1.00 0.00 C ATOM 0 H LEU A 96 -6.366 -9.280 2.716 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.092 -10.602 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.561 -7.866 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.253 -8.534 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.054 -8.193 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.190 -6.159 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.948 -6.020 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.469 -6.334 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.774 -8.380 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.092 -8.670 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.919 -9.837 -0.752 1.00 0.00 H new ATOM 1531 N MET A 97 -3.466 -9.586 3.112 1.00 0.00 N ATOM 1532 CA MET A 97 -2.317 -9.824 3.958 1.00 0.00 C ATOM 1533 C MET A 97 -2.697 -10.176 5.366 1.00 0.00 C ATOM 1534 O MET A 97 -1.874 -9.973 6.252 1.00 0.00 O ATOM 1535 CB MET A 97 -1.407 -8.607 3.927 1.00 0.00 C ATOM 1536 CG MET A 97 -2.092 -7.396 4.542 1.00 0.00 C ATOM 1537 SD MET A 97 -1.136 -6.641 5.868 1.00 0.00 S ATOM 1538 CE MET A 97 0.367 -6.274 4.967 1.00 0.00 C ATOM 0 H MET A 97 -4.024 -8.782 3.399 1.00 0.00 H new ATOM 0 HA MET A 97 -1.785 -10.690 3.563 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.487 -8.823 4.470 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.125 -8.386 2.898 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.272 -6.654 3.764 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.066 -7.695 4.929 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.153 -6.963 5.275 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.186 -6.384 3.898 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.678 -5.251 5.179 1.00 0.00 H new ATOM 1548 N SER A 98 -3.934 -10.642 5.565 1.00 0.00 N ATOM 1549 CA SER A 98 -4.468 -11.005 6.869 1.00 0.00 C ATOM 1550 C SER A 98 -3.416 -11.685 7.745 1.00 0.00 C ATOM 1551 O SER A 98 -2.882 -11.156 8.708 1.00 0.00 O ATOM 1552 CB SER A 98 -5.702 -11.894 6.750 1.00 0.00 C ATOM 1553 OG SER A 98 -5.549 -12.781 5.652 1.00 0.00 O ATOM 0 H SER A 98 -4.600 -10.778 4.805 1.00 0.00 H new ATOM 0 HA SER A 98 -4.763 -10.072 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.844 -12.460 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.592 -11.280 6.613 1.00 0.00 H new ATOM 0 HG SER A 98 -6.157 -13.542 5.759 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.057 -12.892 7.378 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.970 -13.593 8.021 1.00 0.00 C ATOM 1561 C GLN A 99 -1.410 -14.690 7.114 1.00 0.00 C ATOM 1562 O GLN A 99 -1.388 -15.862 7.495 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.509 -14.130 9.339 1.00 0.00 C ATOM 1564 CG GLN A 99 -3.866 -14.823 9.144 1.00 0.00 C ATOM 1565 CD GLN A 99 -4.368 -15.465 10.415 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -3.787 -15.391 11.483 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -5.487 -16.144 10.313 1.00 0.00 N ATOM 0 H GLN A 99 -3.508 -13.415 6.628 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.128 -12.929 8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.796 -14.835 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.615 -13.312 10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.597 -14.094 8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.776 -15.582 8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.968 -16.202 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.875 -16.614 11.131 1.00 0.00 H new ATOM 1576 N PRO A 100 -1.037 -14.330 5.873 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.508 -15.287 4.917 1.00 0.00 C ATOM 1578 C PRO A 100 0.916 -15.679 5.289 1.00 0.00 C ATOM 1579 O PRO A 100 1.183 -16.846 5.553 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.577 -14.604 3.551 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.715 -13.120 3.847 1.00 0.00 C ATOM 1582 CD PRO A 100 -1.031 -12.982 5.317 1.00 0.00 C ATOM 0 HA PRO A 100 -1.082 -16.214 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.320 -14.806 2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.425 -14.969 2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.206 -12.592 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.507 -12.679 3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.287 -12.361 5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.998 -12.500 5.461 1.00 0.00 H new ATOM 1590 N CYS A 101 1.839 -14.715 5.282 1.00 0.00 N ATOM 1591 CA CYS A 101 3.220 -14.960 5.623 1.00 0.00 C ATOM 1592 C CYS A 101 3.307 -15.214 7.117 1.00 0.00 C ATOM 1593 O CYS A 101 3.077 -14.300 7.913 1.00 0.00 O ATOM 1594 CB CYS A 101 4.091 -13.785 5.185 1.00 0.00 C ATOM 1595 SG CYS A 101 3.555 -12.938 3.655 1.00 0.00 S ATOM 0 H CYS A 101 1.638 -13.745 5.038 1.00 0.00 H new ATOM 0 HA CYS A 101 3.594 -15.839 5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.119 -13.055 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.111 -14.143 5.043 1.00 0.00 H new ATOM 1600 N GLN A 102 3.583 -16.452 7.491 1.00 0.00 N ATOM 1601 CA GLN A 102 3.720 -16.832 8.889 1.00 0.00 C ATOM 1602 C GLN A 102 5.067 -17.439 9.120 1.00 0.00 C ATOM 1603 O GLN A 102 5.851 -17.372 8.180 1.00 0.00 O ATOM 1604 CB GLN A 102 2.597 -17.774 9.282 1.00 0.00 C ATOM 1605 CG GLN A 102 1.249 -17.064 9.148 1.00 0.00 C ATOM 1606 CD GLN A 102 0.361 -17.249 10.367 1.00 0.00 C ATOM 1607 OE1 GLN A 102 0.768 -17.581 11.469 1.00 0.00 O ATOM 1608 NE2 GLN A 102 -0.915 -17.019 10.199 1.00 0.00 N ATOM 0 H GLN A 102 3.718 -17.222 6.836 1.00 0.00 H new ATOM 0 HA GLN A 102 3.643 -15.947 9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.615 -18.660 8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.738 -18.114 10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.419 -16.000 8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.731 -17.442 8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.267 -16.741 9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.559 -17.118 10.984 1.00 0.00 H new ATOM 1617 N MET A 103 5.318 -17.924 10.347 1.00 0.00 N ATOM 1618 CA MET A 103 6.540 -18.639 10.700 1.00 0.00 C ATOM 1619 C MET A 103 7.059 -19.583 9.573 1.00 0.00 C ATOM 1620 O MET A 103 8.236 -19.964 9.668 1.00 0.00 O ATOM 1621 CB MET A 103 6.302 -19.442 11.988 1.00 0.00 C ATOM 1622 CG MET A 103 7.610 -19.993 12.560 1.00 0.00 C ATOM 1623 SD MET A 103 7.291 -21.231 13.828 1.00 0.00 S ATOM 1624 CE MET A 103 8.940 -21.340 14.538 1.00 0.00 C ATOM 1625 OXT MET A 103 6.265 -20.049 8.730 1.00 0.00 O ATOM 0 H MET A 103 4.666 -17.826 11.125 1.00 0.00 H new ATOM 0 HA MET A 103 7.316 -17.888 10.849 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.820 -18.806 12.730 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.619 -20.266 11.782 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.204 -20.433 11.759 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.198 -19.178 12.982 1.00 0.00 H new ATOM 0 HE1 MET A 103 8.939 -22.067 15.350 1.00 0.00 H new ATOM 0 HE2 MET A 103 9.647 -21.654 13.770 1.00 0.00 H new ATOM 0 HE3 MET A 103 9.235 -20.365 14.925 1.00 0.00 H new TER 1635 MET A 103