USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1060 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 87 THR OG1 : rot 152:sc= -2.38! USER MOD Set 1.2: A 109 LYS NZ :NH3+ 170:sc= -3.14! (180deg=-3.13!) USER MOD Set 2.1: A 99 THR OG1 : rot 123:sc= 0.245 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.233 USER MOD Set 3.1: A 57 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 60 LYS NZ :NH3+ 161:sc= -0.101 (180deg=-0.551) USER MOD Set 4.1: A 39 SER OG : rot 18:sc= -3.29! USER MOD Set 4.2: A 42 ASN : amide:sc= -4.61! C(o=-15!,f=-5!) USER MOD Set 4.3: A 82 ASN : amide:sc= -7.37! C(o=-15!,f=-10!) USER MOD Single : A 6 SER OG : rot -150:sc= -0.283 USER MOD Single : A 7 GLN : amide:sc= 0.0186 K(o=0.019,f=-2.6) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 0.368 (180deg=-0.0546) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0207 (180deg=-0.337) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.515 K(o=-0.52,f=-1.9!) USER MOD Single : A 22 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.4!) USER MOD Single : A 23 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-8!) USER MOD Single : A 25 CYS SG : rot -29:sc= -0.873 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.331 (180deg=-0.698) USER MOD Single : A 35 LYS NZ :NH3+ -117:sc= -1.33 (180deg=-3.39!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -42:sc= 0.756 USER MOD Single : A 49 CYS SG : rot 152:sc= -1.15! USER MOD Single : A 52 TYR OH : rot 4:sc= -0.187 USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -1.83 (180deg=-4.21!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.265 USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= -8.97! (180deg=-18.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 134:sc= -0.0393 (180deg=-0.542) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.421 USER MOD Single : A 70 ASN : amide:sc= -0.871 K(o=-0.87,f=-2.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.142 USER MOD Single : A 76 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.25) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 76:sc= 0.548 USER MOD Single : A 92 SER OG : rot -59:sc= 0.576 USER MOD Single : A 94 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.37) USER MOD Single : A 95 MET CE :methyl -162:sc= -1.6 (180deg=-3.15) USER MOD Single : A 102 CYS SG : rot -94:sc= -0.13 USER MOD Single : A 107 GLN : amide:sc= -4.35 K(o=-4.4,f=-10!) USER MOD Single : A 108 LYS NZ :NH3+ 164:sc= -0.0486 (180deg=-0.405) USER MOD Single : A 112 ASN : amide:sc= -0.675 K(o=-0.68,f=-0.062) USER MOD Single : A 114 MET CE :methyl -133:sc= -1.19 (180deg=-4.83!) USER MOD Single : A 116 LYS NZ :NH3+ -156:sc= -0.0481 (180deg=-0.546) USER MOD Single : A 118 SER OG : rot -54:sc= -0.0532 USER MOD Single : A 119 TYR OH : rot -148:sc= -3.72! USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.344) USER MOD Single : A 125 SER OG : rot -97:sc= -2.47! USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -165:sc= -3.33! USER MOD Single : A 133 ASN : amide:sc= -1.95 K(o=-2,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.271 3.323 -14.052 1.00 17.32 N ATOM 2 CA VAL A 5 -8.625 2.319 -13.000 1.00 16.53 C ATOM 3 C VAL A 5 -10.146 2.293 -12.843 1.00 15.62 C ATOM 4 O VAL A 5 -10.815 3.286 -13.047 1.00 15.21 O ATOM 5 CB VAL A 5 -7.972 2.725 -11.677 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.522 4.076 -11.217 1.00 18.70 C ATOM 7 CG2 VAL A 5 -8.262 1.661 -10.613 1.00 17.86 C ATOM 0 HA VAL A 5 -8.268 1.329 -13.285 1.00 16.53 H new ATOM 0 HB VAL A 5 -6.895 2.809 -11.821 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.052 4.358 -10.275 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -8.306 4.833 -11.971 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.600 4.001 -11.077 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -7.796 1.952 -9.671 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -9.339 1.571 -10.472 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -7.857 0.702 -10.937 1.00 17.86 H new ATOM 17 N SER A 6 -10.702 1.165 -12.501 1.00 15.43 N ATOM 18 CA SER A 6 -12.180 1.089 -12.353 1.00 14.66 C ATOM 19 C SER A 6 -12.605 1.835 -11.088 1.00 13.40 C ATOM 20 O SER A 6 -11.944 1.780 -10.073 1.00 12.58 O ATOM 21 CB SER A 6 -12.597 -0.378 -12.246 1.00 15.49 C ATOM 22 OG SER A 6 -11.843 -1.007 -11.218 1.00 15.97 O ATOM 0 H SER A 6 -10.199 0.297 -12.318 1.00 15.43 H new ATOM 0 HA SER A 6 -12.661 1.545 -13.219 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.662 -0.450 -12.027 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.432 -0.885 -13.196 1.00 15.49 H new ATOM 0 HG SER A 6 -11.726 -1.956 -11.432 1.00 15.97 H new ATOM 28 N GLN A 7 -13.709 2.528 -11.145 1.00 13.37 N ATOM 29 CA GLN A 7 -14.187 3.282 -9.951 1.00 12.23 C ATOM 30 C GLN A 7 -14.615 2.292 -8.872 1.00 11.36 C ATOM 31 O GLN A 7 -14.643 2.601 -7.701 1.00 10.97 O ATOM 32 CB GLN A 7 -15.386 4.149 -10.339 1.00 13.19 C ATOM 33 CG GLN A 7 -14.939 5.260 -11.289 1.00 13.36 C ATOM 34 CD GLN A 7 -14.009 6.223 -10.553 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.301 6.645 -9.452 1.00 13.82 O ATOM 36 NE2 GLN A 7 -12.894 6.591 -11.119 1.00 13.77 N ATOM 0 H GLN A 7 -14.303 2.605 -11.971 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.384 3.917 -9.576 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.150 3.536 -10.817 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -15.837 4.582 -9.446 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.427 4.831 -12.150 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.807 5.797 -11.670 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -12.650 6.236 -12.044 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -12.266 7.234 -10.637 1.00 13.77 H new ATOM 45 N GLU A 8 -14.960 1.102 -9.257 1.00 13.01 N ATOM 46 CA GLU A 8 -15.385 0.095 -8.250 1.00 12.24 C ATOM 47 C GLU A 8 -14.190 -0.280 -7.370 1.00 11.73 C ATOM 48 O GLU A 8 -14.320 -0.489 -6.181 1.00 11.71 O ATOM 49 CB GLU A 8 -15.875 -1.163 -8.971 1.00 13.27 C ATOM 50 CG GLU A 8 -17.178 -0.865 -9.713 1.00 13.55 C ATOM 51 CD GLU A 8 -17.646 -2.126 -10.440 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.876 -3.072 -10.499 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.762 -2.123 -10.932 1.00 14.92 O ATOM 0 H GLU A 8 -14.967 0.781 -10.225 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.184 0.512 -7.636 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.117 -1.508 -9.674 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.032 -1.967 -8.252 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.942 -0.532 -9.010 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.026 -0.055 -10.427 1.00 13.55 H new ATOM 60 N GLU A 9 -13.035 -0.409 -7.962 1.00 11.46 N ATOM 61 CA GLU A 9 -11.831 -0.823 -7.188 1.00 11.12 C ATOM 62 C GLU A 9 -11.275 0.313 -6.318 1.00 10.28 C ATOM 63 O GLU A 9 -10.859 0.087 -5.201 1.00 10.32 O ATOM 64 CB GLU A 9 -10.753 -1.275 -8.176 1.00 12.40 C ATOM 65 CG GLU A 9 -11.181 -2.593 -8.828 1.00 13.24 C ATOM 66 CD GLU A 9 -11.121 -3.719 -7.795 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.315 -3.620 -6.884 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.881 -4.664 -7.933 1.00 14.68 O ATOM 0 H GLU A 9 -12.873 -0.244 -8.955 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.121 -1.632 -6.518 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.600 -0.512 -8.939 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.802 -1.404 -7.660 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.192 -2.503 -9.224 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.528 -2.823 -9.670 1.00 13.24 H new ATOM 75 N VAL A 10 -11.235 1.522 -6.804 1.00 9.75 N ATOM 76 CA VAL A 10 -10.665 2.613 -5.960 1.00 9.10 C ATOM 77 C VAL A 10 -11.478 2.762 -4.673 1.00 7.91 C ATOM 78 O VAL A 10 -10.935 2.990 -3.611 1.00 7.70 O ATOM 79 CB VAL A 10 -10.645 3.939 -6.724 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.015 3.728 -8.103 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.071 4.473 -6.882 1.00 11.17 C ATOM 0 H VAL A 10 -11.564 1.800 -7.728 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.639 2.348 -5.706 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.055 4.665 -6.165 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.002 4.673 -8.645 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.995 3.363 -7.985 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.599 2.997 -8.662 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.048 5.417 -7.427 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.671 3.750 -7.434 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.511 4.633 -5.898 1.00 11.17 H new ATOM 91 N LYS A 11 -12.771 2.636 -4.749 1.00 7.38 N ATOM 92 CA LYS A 11 -13.594 2.772 -3.517 1.00 6.32 C ATOM 93 C LYS A 11 -13.164 1.710 -2.508 1.00 5.68 C ATOM 94 O LYS A 11 -13.184 1.934 -1.314 1.00 5.93 O ATOM 95 CB LYS A 11 -15.080 2.624 -3.861 1.00 8.26 C ATOM 96 CG LYS A 11 -15.534 3.857 -4.658 1.00 8.64 C ATOM 97 CD LYS A 11 -17.063 3.872 -4.814 1.00 9.23 C ATOM 98 CE LYS A 11 -17.493 2.943 -5.957 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.983 3.474 -7.254 1.00 10.51 N ATOM 0 H LYS A 11 -13.292 2.446 -5.605 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.443 3.759 -3.080 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.243 1.718 -4.444 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.670 2.527 -2.949 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.207 4.765 -4.151 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.063 3.854 -5.641 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.533 3.555 -3.883 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.405 4.888 -5.014 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.106 1.938 -5.787 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.580 2.866 -5.987 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.463 2.991 -8.040 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -17.171 4.495 -7.309 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.959 3.307 -7.319 1.00 10.51 H new ATOM 113 N LYS A 12 -12.753 0.561 -2.969 1.00 5.08 N ATOM 114 CA LYS A 12 -12.303 -0.491 -2.017 1.00 4.72 C ATOM 115 C LYS A 12 -11.114 0.063 -1.243 1.00 4.34 C ATOM 116 O LYS A 12 -10.962 -0.171 -0.059 1.00 4.65 O ATOM 117 CB LYS A 12 -11.868 -1.744 -2.781 1.00 6.91 C ATOM 118 CG LYS A 12 -13.066 -2.329 -3.524 1.00 7.86 C ATOM 119 CD LYS A 12 -12.626 -3.580 -4.282 1.00 8.86 C ATOM 120 CE LYS A 12 -13.805 -4.132 -5.083 1.00 9.89 C ATOM 121 NZ LYS A 12 -14.867 -4.604 -4.150 1.00 10.82 N ATOM 0 H LYS A 12 -12.710 0.307 -3.956 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.117 -0.760 -1.344 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.075 -1.496 -3.486 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.460 -2.481 -2.089 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.860 -2.577 -2.820 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.473 -1.593 -4.218 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -11.799 -3.341 -4.950 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.263 -4.333 -3.583 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.203 -3.360 -5.742 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -13.473 -4.954 -5.718 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -15.524 -5.228 -4.660 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -14.431 -5.128 -3.364 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -15.388 -3.786 -3.774 1.00 10.82 H new ATOM 135 N TRP A 13 -10.273 0.810 -1.903 1.00 4.15 N ATOM 136 CA TRP A 13 -9.099 1.393 -1.210 1.00 3.58 C ATOM 137 C TRP A 13 -9.594 2.241 -0.044 1.00 2.38 C ATOM 138 O TRP A 13 -8.919 2.409 0.936 1.00 2.83 O ATOM 139 CB TRP A 13 -8.313 2.293 -2.168 1.00 4.70 C ATOM 140 CG TRP A 13 -7.919 1.542 -3.407 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.015 0.200 -3.587 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.357 2.077 -4.642 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.557 -0.113 -4.854 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.140 1.007 -5.540 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.025 3.375 -5.065 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.607 1.217 -6.814 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.489 3.592 -6.346 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.280 2.514 -7.218 1.00 6.26 C ATOM 0 H TRP A 13 -10.351 1.040 -2.894 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.453 0.589 -0.859 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -8.918 3.158 -2.439 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.421 2.672 -1.668 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.388 -0.507 -2.861 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.531 -1.059 -5.235 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.183 4.212 -4.401 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.449 0.383 -7.482 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.237 4.594 -6.660 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.867 2.686 -8.201 1.00 6.26 H new ATOM 159 N ALA A 14 -10.775 2.777 -0.142 1.00 0.01 N ATOM 160 CA ALA A 14 -11.305 3.612 0.974 1.00 0.01 C ATOM 161 C ALA A 14 -11.865 2.692 2.059 1.00 0.01 C ATOM 162 O ALA A 14 -12.215 3.128 3.140 1.00 0.01 O ATOM 163 CB ALA A 14 -12.420 4.515 0.448 1.00 0.00 C ATOM 0 H ALA A 14 -11.397 2.675 -0.944 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.506 4.228 1.387 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.808 5.126 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.025 5.163 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.223 3.901 0.040 1.00 0.00 H new ATOM 169 N GLU A 15 -11.966 1.420 1.769 1.00 0.01 N ATOM 170 CA GLU A 15 -12.522 0.454 2.768 1.00 0.01 C ATOM 171 C GLU A 15 -11.401 -0.176 3.606 1.00 0.01 C ATOM 172 O GLU A 15 -11.579 -0.446 4.777 1.00 0.01 O ATOM 173 CB GLU A 15 -13.265 -0.656 2.026 1.00 0.01 C ATOM 174 CG GLU A 15 -14.400 -0.045 1.205 1.00 0.01 C ATOM 175 CD GLU A 15 -15.457 0.531 2.148 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.491 0.111 3.294 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.214 1.382 1.711 1.00 0.01 O ATOM 0 H GLU A 15 -11.686 1.006 0.880 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.197 0.993 3.433 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.578 -1.195 1.373 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.664 -1.380 2.737 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.012 0.739 0.554 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.846 -0.803 0.561 1.00 0.01 H new ATOM 184 N SER A 16 -10.252 -0.429 3.031 1.00 0.01 N ATOM 185 CA SER A 16 -9.157 -1.059 3.835 1.00 0.01 C ATOM 186 C SER A 16 -7.845 -1.079 3.043 1.00 0.00 C ATOM 187 O SER A 16 -7.835 -1.164 1.830 1.00 0.00 O ATOM 188 CB SER A 16 -9.554 -2.492 4.189 1.00 0.01 C ATOM 189 OG SER A 16 -9.955 -3.173 3.009 1.00 0.01 O ATOM 0 H SER A 16 -10.025 -0.231 2.056 1.00 0.01 H new ATOM 0 HA SER A 16 -9.008 -0.474 4.743 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.715 -3.010 4.654 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.368 -2.488 4.914 1.00 0.01 H new ATOM 0 HG SER A 16 -10.209 -4.093 3.232 1.00 0.01 H new ATOM 195 N LEU A 17 -6.738 -0.995 3.738 1.00 0.00 N ATOM 196 CA LEU A 17 -5.400 -0.997 3.068 1.00 0.00 C ATOM 197 C LEU A 17 -5.218 -2.294 2.278 1.00 0.01 C ATOM 198 O LEU A 17 -4.671 -2.298 1.195 1.00 0.00 O ATOM 199 CB LEU A 17 -4.302 -0.889 4.133 1.00 0.01 C ATOM 200 CG LEU A 17 -2.904 -0.864 3.481 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.698 0.456 2.724 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.837 -0.987 4.567 1.00 0.00 C ATOM 0 H LEU A 17 -6.704 -0.924 4.755 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.335 -0.150 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.449 0.016 4.722 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.372 -1.732 4.820 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.824 -1.696 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.708 0.463 2.268 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.456 0.552 1.947 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.783 1.291 3.419 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.848 -0.970 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.929 -0.154 5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.971 -1.926 5.105 1.00 0.00 H new ATOM 214 N GLU A 18 -5.649 -3.396 2.823 1.00 0.01 N ATOM 215 CA GLU A 18 -5.471 -4.693 2.112 1.00 0.00 C ATOM 216 C GLU A 18 -5.924 -4.561 0.654 1.00 0.00 C ATOM 217 O GLU A 18 -5.258 -5.025 -0.248 1.00 0.01 O ATOM 218 CB GLU A 18 -6.310 -5.762 2.816 1.00 0.01 C ATOM 219 CG GLU A 18 -5.693 -6.078 4.180 1.00 0.01 C ATOM 220 CD GLU A 18 -6.530 -7.148 4.884 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.607 -7.447 4.397 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.082 -7.646 5.905 1.00 0.01 O ATOM 0 H GLU A 18 -6.116 -3.456 3.728 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.418 -4.975 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.335 -5.412 2.941 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.354 -6.665 2.207 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.668 -6.427 4.055 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.650 -5.175 4.790 1.00 0.01 H new ATOM 229 N ASN A 19 -7.038 -3.932 0.406 1.00 0.01 N ATOM 230 CA ASN A 19 -7.501 -3.785 -1.008 1.00 0.00 C ATOM 231 C ASN A 19 -6.527 -2.898 -1.798 1.00 0.00 C ATOM 232 O ASN A 19 -6.197 -3.181 -2.933 1.00 0.01 O ATOM 233 CB ASN A 19 -8.892 -3.147 -1.022 1.00 0.01 C ATOM 234 CG ASN A 19 -9.933 -4.165 -0.552 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.760 -5.353 -0.733 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.017 -3.747 0.044 1.00 0.01 N ATOM 0 H ASN A 19 -7.646 -3.516 1.112 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.539 -4.770 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.907 -2.271 -0.373 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.134 -2.803 -2.027 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.718 -4.418 0.357 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.163 -2.749 0.196 1.00 0.01 H new ATOM 243 N LEU A 20 -6.072 -1.822 -1.214 1.00 0.00 N ATOM 244 CA LEU A 20 -5.132 -0.914 -1.939 1.00 0.01 C ATOM 245 C LEU A 20 -3.849 -1.664 -2.331 1.00 0.01 C ATOM 246 O LEU A 20 -3.376 -1.552 -3.443 1.00 0.00 O ATOM 247 CB LEU A 20 -4.790 0.281 -1.037 1.00 0.00 C ATOM 248 CG LEU A 20 -3.813 1.248 -1.734 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.452 1.841 -2.993 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.464 2.385 -0.768 1.00 0.01 C ATOM 0 H LEU A 20 -6.310 -1.531 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.611 -0.560 -2.852 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.704 0.813 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.349 -0.077 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.914 0.700 -2.018 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.748 2.521 -3.472 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.708 1.038 -3.684 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.355 2.387 -2.720 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.773 3.075 -1.252 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.373 2.918 -0.490 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.997 1.972 0.126 1.00 0.01 H new ATOM 262 N ILE A 21 -3.267 -2.408 -1.429 1.00 0.01 N ATOM 263 CA ILE A 21 -2.005 -3.134 -1.768 1.00 0.00 C ATOM 264 C ILE A 21 -2.310 -4.432 -2.522 1.00 0.00 C ATOM 265 O ILE A 21 -1.438 -5.028 -3.121 1.00 0.00 O ATOM 266 CB ILE A 21 -1.233 -3.456 -0.480 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.067 -4.368 0.433 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.925 -2.155 0.261 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.223 -4.793 1.639 1.00 0.01 C ATOM 0 H ILE A 21 -3.607 -2.545 -0.477 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.400 -2.494 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.308 -3.968 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.962 -3.844 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.400 -5.247 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.377 -2.379 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.321 -1.508 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.858 -1.649 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.814 -5.440 2.287 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.341 -5.333 1.294 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.912 -3.909 2.195 1.00 0.01 H new ATOM 281 N ASN A 22 -3.530 -4.895 -2.482 1.00 0.00 N ATOM 282 CA ASN A 22 -3.866 -6.175 -3.178 1.00 0.01 C ATOM 283 C ASN A 22 -4.329 -5.906 -4.609 1.00 0.01 C ATOM 284 O ASN A 22 -4.475 -6.823 -5.394 1.00 0.01 O ATOM 285 CB ASN A 22 -5.002 -6.875 -2.434 1.00 0.01 C ATOM 286 CG ASN A 22 -4.500 -7.386 -1.086 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.315 -7.563 -0.891 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.365 -7.628 -0.140 1.00 0.01 N ATOM 0 H ASN A 22 -4.308 -4.445 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.972 -6.799 -3.195 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.832 -6.184 -2.285 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.382 -7.705 -3.029 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -5.047 -7.967 0.768 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.360 -7.478 -0.308 1.00 0.01 H new ATOM 295 N HIS A 23 -4.583 -4.674 -4.962 1.00 0.01 N ATOM 296 CA HIS A 23 -5.064 -4.387 -6.349 1.00 0.01 C ATOM 297 C HIS A 23 -3.882 -4.071 -7.267 1.00 0.01 C ATOM 298 O HIS A 23 -2.923 -3.436 -6.876 1.00 0.01 O ATOM 299 CB HIS A 23 -6.028 -3.196 -6.323 1.00 0.00 C ATOM 300 CG HIS A 23 -6.829 -3.177 -7.597 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.566 -2.285 -8.623 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.883 -3.943 -8.022 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.447 -2.535 -9.609 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.273 -3.535 -9.294 1.00 0.01 N ATOM 0 H HIS A 23 -4.480 -3.859 -4.357 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.581 -5.267 -6.731 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.693 -3.270 -5.463 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.471 -2.265 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.341 -4.741 -7.456 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.482 -1.992 -10.542 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.028 -3.918 -9.863 1.00 0.01 H new ATOM 312 N GLU A 24 -3.954 -4.524 -8.490 1.00 0.01 N ATOM 313 CA GLU A 24 -2.854 -4.274 -9.462 1.00 0.01 C ATOM 314 C GLU A 24 -2.666 -2.769 -9.650 1.00 0.01 C ATOM 315 O GLU A 24 -1.558 -2.279 -9.744 1.00 0.01 O ATOM 316 CB GLU A 24 -3.201 -4.930 -10.801 1.00 0.01 C ATOM 317 CG GLU A 24 -2.071 -4.689 -11.804 1.00 0.01 C ATOM 318 CD GLU A 24 -2.380 -5.438 -13.101 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.312 -6.223 -13.099 1.00 0.00 O ATOM 320 OE2 GLU A 24 -1.676 -5.215 -14.073 1.00 0.01 O ATOM 0 H GLU A 24 -4.738 -5.062 -8.860 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.926 -4.702 -9.082 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.355 -6.000 -10.663 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.135 -4.520 -11.186 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.966 -3.622 -12.002 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.122 -5.031 -11.390 1.00 0.01 H new ATOM 327 N CYS A 25 -3.740 -2.024 -9.708 1.00 0.01 N ATOM 328 CA CYS A 25 -3.606 -0.551 -9.891 1.00 0.01 C ATOM 329 C CYS A 25 -3.358 0.084 -8.529 1.00 0.01 C ATOM 330 O CYS A 25 -2.663 1.075 -8.412 1.00 0.00 O ATOM 331 CB CYS A 25 -4.892 0.020 -10.486 1.00 0.01 C ATOM 332 SG CYS A 25 -4.663 1.787 -10.799 1.00 0.00 S ATOM 0 H CYS A 25 -4.697 -2.370 -9.637 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.778 -0.338 -10.567 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.140 -0.497 -11.413 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.725 -0.136 -9.801 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.801 2.269 -9.954 1.00 0.00 H new ATOM 338 N GLY A 26 -3.900 -0.487 -7.492 1.00 0.01 N ATOM 339 CA GLY A 26 -3.663 0.084 -6.145 1.00 0.01 C ATOM 340 C GLY A 26 -2.158 0.085 -5.899 1.00 0.01 C ATOM 341 O GLY A 26 -1.575 1.091 -5.553 1.00 0.01 O ATOM 0 H GLY A 26 -4.492 -1.317 -7.520 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.061 1.097 -6.084 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.174 -0.506 -5.384 1.00 0.01 H new ATOM 345 N LEU A 27 -1.518 -1.034 -6.111 1.00 0.01 N ATOM 346 CA LEU A 27 -0.042 -1.100 -5.924 1.00 0.00 C ATOM 347 C LEU A 27 0.621 -0.102 -6.872 1.00 0.00 C ATOM 348 O LEU A 27 1.505 0.640 -6.493 1.00 0.00 O ATOM 349 CB LEU A 27 0.456 -2.510 -6.257 1.00 0.00 C ATOM 350 CG LEU A 27 0.014 -3.506 -5.169 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.082 -4.930 -5.727 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.946 -3.409 -3.948 1.00 0.01 C ATOM 0 H LEU A 27 -1.956 -1.906 -6.406 1.00 0.01 H new ATOM 0 HA LEU A 27 0.207 -0.861 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.064 -2.822 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.543 -2.509 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.005 -3.266 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.230 -5.637 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.580 -5.015 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.105 -5.153 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.623 -4.118 -3.186 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.967 -3.642 -4.250 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.909 -2.398 -3.542 1.00 0.01 H new ATOM 364 N ALA A 28 0.196 -0.080 -8.106 1.00 0.00 N ATOM 365 CA ALA A 28 0.796 0.869 -9.085 1.00 0.00 C ATOM 366 C ALA A 28 0.580 2.296 -8.592 1.00 0.01 C ATOM 367 O ALA A 28 1.499 3.090 -8.529 1.00 0.00 O ATOM 368 CB ALA A 28 0.120 0.687 -10.446 1.00 0.00 C ATOM 0 H ALA A 28 -0.541 -0.679 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 28 1.864 0.674 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.557 1.380 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.268 -0.336 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.947 0.887 -10.352 1.00 0.00 H new ATOM 374 N ALA A 29 -0.627 2.623 -8.232 1.00 0.00 N ATOM 375 CA ALA A 29 -0.902 3.992 -7.729 1.00 0.01 C ATOM 376 C ALA A 29 -0.231 4.159 -6.371 1.00 0.00 C ATOM 377 O ALA A 29 0.440 5.139 -6.109 1.00 0.00 O ATOM 378 CB ALA A 29 -2.414 4.183 -7.575 1.00 0.01 C ATOM 0 H ALA A 29 -1.434 2.001 -8.265 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.514 4.731 -8.430 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.618 5.188 -7.206 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.898 4.047 -8.542 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.803 3.451 -6.868 1.00 0.01 H new ATOM 384 N PHE A 30 -0.411 3.205 -5.498 1.00 0.00 N ATOM 385 CA PHE A 30 0.207 3.306 -4.155 1.00 0.00 C ATOM 386 C PHE A 30 1.731 3.386 -4.275 1.00 0.00 C ATOM 387 O PHE A 30 2.354 4.258 -3.709 1.00 0.00 O ATOM 388 CB PHE A 30 -0.194 2.097 -3.304 1.00 0.00 C ATOM 389 CG PHE A 30 0.452 2.219 -1.943 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.140 3.307 -1.116 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.380 1.260 -1.512 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.755 3.438 0.132 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.989 1.389 -0.260 1.00 0.00 C ATOM 394 CZ PHE A 30 1.677 2.482 0.559 1.00 0.00 C ATOM 0 H PHE A 30 -0.961 2.361 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.150 4.215 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.278 2.050 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.121 1.173 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.577 4.045 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.624 0.422 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.517 4.279 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.699 0.647 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.152 2.585 1.524 1.00 0.00 H new ATOM 404 N LYS A 31 2.341 2.499 -5.016 1.00 0.00 N ATOM 405 CA LYS A 31 3.825 2.556 -5.159 1.00 0.00 C ATOM 406 C LYS A 31 4.225 3.891 -5.776 1.00 0.00 C ATOM 407 O LYS A 31 5.198 4.503 -5.379 1.00 0.00 O ATOM 408 CB LYS A 31 4.301 1.422 -6.063 1.00 0.00 C ATOM 409 CG LYS A 31 4.196 0.096 -5.319 1.00 0.00 C ATOM 410 CD LYS A 31 4.553 -1.040 -6.278 1.00 0.00 C ATOM 411 CE LYS A 31 4.737 -2.343 -5.497 1.00 0.01 C ATOM 412 NZ LYS A 31 6.119 -2.393 -4.943 1.00 0.00 N ATOM 0 H LYS A 31 1.881 1.744 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 31 4.284 2.453 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.698 1.390 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.332 1.597 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.869 0.091 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.186 -0.040 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.766 -1.160 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.468 -0.797 -6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.007 -2.403 -4.690 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.563 -3.199 -6.149 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.131 -2.994 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.765 -2.788 -5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.427 -1.432 -4.691 1.00 0.00 H new ATOM 426 N ALA A 32 3.478 4.358 -6.734 1.00 0.00 N ATOM 427 CA ALA A 32 3.823 5.662 -7.355 1.00 0.00 C ATOM 428 C ALA A 32 3.634 6.750 -6.307 1.00 0.01 C ATOM 429 O ALA A 32 4.443 7.647 -6.169 1.00 0.00 O ATOM 430 CB ALA A 32 2.895 5.929 -8.543 1.00 0.00 C ATOM 0 H ALA A 32 2.650 3.897 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 32 4.854 5.650 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.151 6.887 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.011 5.135 -9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.861 5.955 -8.198 1.00 0.00 H new ATOM 436 N PHE A 33 2.571 6.672 -5.555 1.00 0.00 N ATOM 437 CA PHE A 33 2.328 7.691 -4.506 1.00 0.00 C ATOM 438 C PHE A 33 3.458 7.639 -3.476 1.00 0.00 C ATOM 439 O PHE A 33 3.935 8.655 -3.013 1.00 0.00 O ATOM 440 CB PHE A 33 0.987 7.414 -3.823 1.00 0.00 C ATOM 441 CG PHE A 33 0.514 8.669 -3.129 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.010 9.730 -3.889 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.588 8.776 -1.736 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.420 10.900 -3.258 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.156 9.947 -1.105 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.348 11.009 -1.867 1.00 0.00 C ATOM 0 H PHE A 33 1.861 5.943 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 33 2.299 8.682 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.250 7.092 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.093 6.603 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.047 9.645 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.978 7.957 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.808 11.719 -3.845 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.211 10.033 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.681 11.913 -1.379 1.00 0.00 H new ATOM 456 N LEU A 34 3.901 6.464 -3.117 1.00 0.00 N ATOM 457 CA LEU A 34 5.011 6.374 -2.125 1.00 0.00 C ATOM 458 C LEU A 34 6.222 7.095 -2.700 1.00 0.00 C ATOM 459 O LEU A 34 6.937 7.787 -2.002 1.00 0.00 O ATOM 460 CB LEU A 34 5.387 4.911 -1.835 1.00 0.00 C ATOM 461 CG LEU A 34 4.278 4.195 -1.039 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.714 2.740 -0.751 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.999 4.942 0.286 1.00 0.00 C ATOM 0 H LEU A 34 3.547 5.572 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 34 4.687 6.831 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.561 4.385 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.320 4.878 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 34 3.361 4.188 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.932 2.230 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.882 2.217 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.636 2.745 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.214 4.425 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.908 4.968 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.679 5.961 0.069 1.00 0.00 H new ATOM 475 N LYS A 35 6.458 6.944 -3.971 1.00 0.00 N ATOM 476 CA LYS A 35 7.619 7.626 -4.595 1.00 0.00 C ATOM 477 C LYS A 35 7.453 9.133 -4.394 1.00 0.01 C ATOM 478 O LYS A 35 8.396 9.837 -4.097 1.00 0.00 O ATOM 479 CB LYS A 35 7.649 7.298 -6.089 1.00 0.00 C ATOM 480 CG LYS A 35 8.965 7.793 -6.694 1.00 0.00 C ATOM 481 CD LYS A 35 8.997 7.482 -8.198 1.00 0.00 C ATOM 482 CE LYS A 35 8.889 5.968 -8.437 1.00 0.00 C ATOM 483 NZ LYS A 35 7.452 5.582 -8.519 1.00 0.01 N ATOM 0 H LYS A 35 5.895 6.376 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 35 8.552 7.293 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.550 6.223 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.805 7.769 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.069 8.866 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.808 7.313 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.176 7.995 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.922 7.860 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.403 5.696 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.377 5.425 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.222 4.933 -7.740 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 6.859 6.433 -8.446 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.271 5.110 -9.428 1.00 0.01 H new ATOM 497 N SER A 36 6.251 9.623 -4.528 1.00 0.00 N ATOM 498 CA SER A 36 6.012 11.078 -4.315 1.00 0.00 C ATOM 499 C SER A 36 6.414 11.421 -2.881 1.00 0.00 C ATOM 500 O SER A 36 6.919 12.491 -2.602 1.00 0.00 O ATOM 501 CB SER A 36 4.531 11.401 -4.528 1.00 0.00 C ATOM 502 OG SER A 36 4.162 11.060 -5.857 1.00 0.00 O ATOM 0 H SER A 36 5.425 9.079 -4.776 1.00 0.00 H new ATOM 0 HA SER A 36 6.599 11.662 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.920 10.847 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.349 12.460 -4.348 1.00 0.00 H new ATOM 0 HG SER A 36 3.214 11.264 -5.996 1.00 0.00 H new ATOM 508 N GLU A 37 6.200 10.506 -1.971 1.00 0.00 N ATOM 509 CA GLU A 37 6.569 10.745 -0.544 1.00 0.00 C ATOM 510 C GLU A 37 7.913 10.068 -0.276 1.00 0.00 C ATOM 511 O GLU A 37 8.417 10.065 0.829 1.00 0.00 O ATOM 512 CB GLU A 37 5.506 10.125 0.363 1.00 0.00 C ATOM 513 CG GLU A 37 4.195 10.904 0.224 1.00 0.00 C ATOM 514 CD GLU A 37 3.133 10.282 1.133 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.386 9.211 1.661 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.085 10.886 1.284 1.00 0.00 O ATOM 0 H GLU A 37 5.781 9.595 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 37 6.636 11.815 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.350 9.080 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.843 10.142 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.351 11.949 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.857 10.887 -0.812 1.00 0.00 H new ATOM 523 N TYR A 38 8.494 9.501 -1.299 1.00 0.00 N ATOM 524 CA TYR A 38 9.812 8.822 -1.154 1.00 0.00 C ATOM 525 C TYR A 38 9.743 7.767 -0.054 1.00 0.00 C ATOM 526 O TYR A 38 10.698 7.542 0.662 1.00 0.00 O ATOM 527 CB TYR A 38 10.880 9.859 -0.815 1.00 0.00 C ATOM 528 CG TYR A 38 10.945 10.871 -1.930 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.798 10.661 -3.018 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.144 12.016 -1.877 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.851 11.599 -4.055 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.196 12.954 -2.913 1.00 0.00 C ATOM 533 CZ TYR A 38 11.050 12.747 -4.003 1.00 0.01 C ATOM 534 OH TYR A 38 11.100 13.672 -5.026 1.00 0.00 O ATOM 0 H TYR A 38 8.105 9.480 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 38 10.068 8.330 -2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.642 10.351 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.848 9.376 -0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.415 9.776 -3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.485 12.176 -1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.510 11.438 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.577 13.838 -2.872 1.00 0.00 H new ATOM 0 HH TYR A 38 10.481 14.407 -4.833 1.00 0.00 H new ATOM 544 N SER A 39 8.621 7.110 0.073 1.00 0.00 N ATOM 545 CA SER A 39 8.465 6.048 1.112 1.00 0.00 C ATOM 546 C SER A 39 8.408 4.687 0.406 1.00 0.00 C ATOM 547 O SER A 39 7.813 3.741 0.882 1.00 0.00 O ATOM 548 CB SER A 39 7.175 6.313 1.907 1.00 0.00 C ATOM 549 OG SER A 39 6.528 5.086 2.209 1.00 0.00 O ATOM 0 H SER A 39 7.795 7.265 -0.506 1.00 0.00 H new ATOM 0 HA SER A 39 9.304 6.052 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.409 6.846 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.508 6.953 1.330 1.00 0.00 H new ATOM 0 HG SER A 39 7.164 4.347 2.107 1.00 0.00 H new ATOM 555 N GLU A 40 9.037 4.579 -0.738 1.00 0.00 N ATOM 556 CA GLU A 40 9.020 3.282 -1.468 1.00 0.00 C ATOM 557 C GLU A 40 9.677 2.215 -0.596 1.00 0.00 C ATOM 558 O GLU A 40 9.463 1.033 -0.764 1.00 0.00 O ATOM 559 CB GLU A 40 9.773 3.415 -2.802 1.00 0.00 C ATOM 560 CG GLU A 40 11.237 3.822 -2.570 1.00 0.00 C ATOM 561 CD GLU A 40 11.301 5.287 -2.132 1.00 0.00 C ATOM 562 OE1 GLU A 40 10.343 6.001 -2.382 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.307 5.671 -1.560 1.00 0.00 O ATOM 0 H GLU A 40 9.557 5.329 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 40 7.990 2.996 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.736 2.468 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.280 4.158 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.686 3.185 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.813 3.680 -3.484 1.00 0.00 H new ATOM 570 N GLU A 41 10.469 2.629 0.346 1.00 0.00 N ATOM 571 CA GLU A 41 11.123 1.648 1.244 1.00 0.00 C ATOM 572 C GLU A 41 10.038 0.940 2.061 1.00 0.00 C ATOM 573 O GLU A 41 10.148 -0.225 2.387 1.00 0.00 O ATOM 574 CB GLU A 41 12.084 2.387 2.176 1.00 0.00 C ATOM 575 CG GLU A 41 11.302 3.413 3.011 1.00 0.00 C ATOM 576 CD GLU A 41 12.261 4.459 3.584 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.428 4.425 3.232 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.812 5.276 4.370 1.00 0.00 O ATOM 0 H GLU A 41 10.692 3.607 0.533 1.00 0.00 H new ATOM 0 HA GLU A 41 11.684 0.913 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.589 1.678 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.857 2.889 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.548 3.899 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.774 2.909 3.821 1.00 0.00 H new ATOM 585 N ASN A 42 8.988 1.646 2.395 1.00 0.00 N ATOM 586 CA ASN A 42 7.888 1.030 3.192 1.00 0.00 C ATOM 587 C ASN A 42 7.283 -0.159 2.439 1.00 0.00 C ATOM 588 O ASN A 42 7.083 -1.215 3.006 1.00 0.00 O ATOM 589 CB ASN A 42 6.800 2.073 3.454 1.00 0.00 C ATOM 590 CG ASN A 42 7.318 3.111 4.453 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.214 2.834 5.226 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.787 4.303 4.473 1.00 0.00 N ATOM 0 H ASN A 42 8.846 2.626 2.149 1.00 0.00 H new ATOM 0 HA ASN A 42 8.296 0.677 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.516 2.560 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.905 1.590 3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.124 5.000 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.035 4.537 3.825 1.00 0.00 H new ATOM 599 N ILE A 43 6.993 -0.017 1.168 1.00 0.00 N ATOM 600 CA ILE A 43 6.412 -1.175 0.431 1.00 0.00 C ATOM 601 C ILE A 43 7.495 -2.242 0.293 1.00 0.00 C ATOM 602 O ILE A 43 7.239 -3.416 0.458 1.00 0.00 O ATOM 603 CB ILE A 43 5.862 -0.735 -0.944 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.257 -1.938 -1.695 1.00 0.00 C ATOM 605 CG2 ILE A 43 6.964 -0.113 -1.797 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.931 -2.363 -1.050 1.00 0.00 C ATOM 0 H ILE A 43 7.131 0.833 0.621 1.00 0.00 H new ATOM 0 HA ILE A 43 5.567 -1.587 0.983 1.00 0.00 H new ATOM 0 HB ILE A 43 5.086 0.009 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.092 -1.676 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.958 -2.772 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.552 0.189 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.370 0.760 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.758 -0.843 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.518 -3.213 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.105 -2.646 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.226 -1.532 -1.086 1.00 0.00 H new ATOM 618 N ASP A 44 8.713 -1.853 0.028 1.00 0.00 N ATOM 619 CA ASP A 44 9.792 -2.868 -0.072 1.00 0.00 C ATOM 620 C ASP A 44 9.894 -3.554 1.283 1.00 0.00 C ATOM 621 O ASP A 44 10.050 -4.754 1.386 1.00 0.00 O ATOM 622 CB ASP A 44 11.118 -2.182 -0.401 1.00 0.00 C ATOM 623 CG ASP A 44 11.078 -1.654 -1.836 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.231 -2.105 -2.588 1.00 0.00 O ATOM 625 OD2 ASP A 44 11.895 -0.807 -2.157 1.00 0.00 O ATOM 0 H ASP A 44 9.002 -0.886 -0.122 1.00 0.00 H new ATOM 0 HA ASP A 44 9.572 -3.590 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.298 -1.362 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.942 -2.886 -0.284 1.00 0.00 H new ATOM 630 N PHE A 45 9.775 -2.782 2.328 1.00 0.00 N ATOM 631 CA PHE A 45 9.828 -3.350 3.698 1.00 0.00 C ATOM 632 C PHE A 45 8.639 -4.299 3.864 1.00 0.00 C ATOM 633 O PHE A 45 8.763 -5.389 4.388 1.00 0.00 O ATOM 634 CB PHE A 45 9.738 -2.196 4.702 1.00 0.00 C ATOM 635 CG PHE A 45 9.792 -2.723 6.115 1.00 0.00 C ATOM 636 CD1 PHE A 45 8.613 -3.070 6.781 1.00 0.00 C ATOM 637 CD2 PHE A 45 11.026 -2.847 6.765 1.00 0.00 C ATOM 638 CE1 PHE A 45 8.666 -3.540 8.098 1.00 0.00 C ATOM 639 CE2 PHE A 45 11.081 -3.321 8.080 1.00 0.00 C ATOM 640 CZ PHE A 45 9.899 -3.667 8.747 1.00 0.00 C ATOM 0 H PHE A 45 9.642 -1.772 2.287 1.00 0.00 H new ATOM 0 HA PHE A 45 10.755 -3.898 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.557 -1.497 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.811 -1.643 4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.661 -2.975 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.936 -2.576 6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.755 -3.805 8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.033 -3.420 8.580 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.939 -4.032 9.763 1.00 0.00 H new ATOM 650 N TRP A 46 7.483 -3.887 3.405 1.00 0.00 N ATOM 651 CA TRP A 46 6.270 -4.749 3.509 1.00 0.00 C ATOM 652 C TRP A 46 6.479 -6.045 2.719 1.00 0.00 C ATOM 653 O TRP A 46 6.100 -7.114 3.155 1.00 0.00 O ATOM 654 CB TRP A 46 5.065 -4.001 2.935 1.00 0.00 C ATOM 655 CG TRP A 46 3.849 -4.864 3.037 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.095 -5.015 4.149 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.232 -5.692 2.009 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.056 -5.888 3.869 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.098 -6.331 2.562 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.547 -5.948 0.662 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.304 -7.194 1.807 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.750 -6.815 -0.102 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.630 -7.437 0.470 1.00 0.00 C ATOM 0 H TRP A 46 7.329 -2.983 2.959 1.00 0.00 H new ATOM 0 HA TRP A 46 6.093 -4.990 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.909 -3.069 3.478 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.250 -3.736 1.894 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.273 -4.534 5.099 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.347 -6.169 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.407 -5.474 0.213 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.443 -7.671 2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.000 -7.004 -1.135 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.020 -8.103 -0.122 1.00 0.00 H new ATOM 674 N ILE A 47 7.071 -5.962 1.557 1.00 0.00 N ATOM 675 CA ILE A 47 7.289 -7.195 0.748 1.00 0.00 C ATOM 676 C ILE A 47 8.238 -8.127 1.500 1.00 0.00 C ATOM 677 O ILE A 47 8.008 -9.317 1.592 1.00 0.00 O ATOM 678 CB ILE A 47 7.904 -6.825 -0.607 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.897 -6.004 -1.420 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.244 -8.104 -1.378 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.585 -5.372 -2.638 1.00 0.00 C ATOM 0 H ILE A 47 7.411 -5.098 1.135 1.00 0.00 H new ATOM 0 HA ILE A 47 6.334 -7.695 0.583 1.00 0.00 H new ATOM 0 HB ILE A 47 8.809 -6.240 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.077 -6.643 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.463 -5.225 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.681 -7.843 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.957 -8.696 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.336 -8.685 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.858 -4.792 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.389 -4.717 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.997 -6.158 -3.271 1.00 0.00 H new ATOM 693 N SER A 48 9.297 -7.599 2.048 1.00 0.00 N ATOM 694 CA SER A 48 10.245 -8.466 2.800 1.00 0.00 C ATOM 695 C SER A 48 9.555 -8.962 4.070 1.00 0.00 C ATOM 696 O SER A 48 9.661 -10.115 4.438 1.00 0.00 O ATOM 697 CB SER A 48 11.492 -7.664 3.174 1.00 0.00 C ATOM 698 OG SER A 48 11.151 -6.692 4.154 1.00 0.00 O ATOM 0 H SER A 48 9.546 -6.611 2.008 1.00 0.00 H new ATOM 0 HA SER A 48 10.541 -9.314 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.264 -8.330 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.903 -7.177 2.290 1.00 0.00 H new ATOM 0 HG SER A 48 10.291 -6.283 3.923 1.00 0.00 H new ATOM 704 N CYS A 49 8.828 -8.102 4.730 1.00 0.00 N ATOM 705 CA CYS A 49 8.109 -8.525 5.962 1.00 0.00 C ATOM 706 C CYS A 49 6.989 -9.486 5.568 1.00 0.00 C ATOM 707 O CYS A 49 6.641 -10.389 6.303 1.00 0.01 O ATOM 708 CB CYS A 49 7.524 -7.296 6.657 1.00 0.00 C ATOM 709 SG CYS A 49 8.843 -6.422 7.533 1.00 0.01 S ATOM 0 H CYS A 49 8.702 -7.124 4.468 1.00 0.00 H new ATOM 0 HA CYS A 49 8.795 -9.023 6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.059 -6.636 5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.744 -7.596 7.356 1.00 0.00 H new ATOM 0 HG CYS A 49 8.553 -5.157 7.604 1.00 0.01 H new ATOM 715 N GLU A 50 6.430 -9.301 4.402 1.00 0.00 N ATOM 716 CA GLU A 50 5.344 -10.210 3.949 1.00 0.00 C ATOM 717 C GLU A 50 5.906 -11.630 3.898 1.00 0.01 C ATOM 718 O GLU A 50 5.339 -12.557 4.441 1.00 0.00 O ATOM 719 CB GLU A 50 4.874 -9.779 2.552 1.00 0.01 C ATOM 720 CG GLU A 50 3.748 -10.697 2.073 1.00 0.00 C ATOM 721 CD GLU A 50 3.273 -10.245 0.690 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.812 -9.272 0.187 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.376 -10.878 0.157 1.00 0.00 O ATOM 0 H GLU A 50 6.680 -8.560 3.747 1.00 0.00 H new ATOM 0 HA GLU A 50 4.496 -10.170 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.526 -8.746 2.579 1.00 0.01 H new ATOM 0 HB3 GLU A 50 5.708 -9.816 1.851 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.099 -11.728 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.919 -10.672 2.780 1.00 0.00 H new ATOM 730 N GLU A 51 7.040 -11.800 3.273 1.00 0.01 N ATOM 731 CA GLU A 51 7.660 -13.151 3.214 1.00 0.00 C ATOM 732 C GLU A 51 7.950 -13.599 4.643 1.00 0.01 C ATOM 733 O GLU A 51 7.779 -14.749 4.998 1.00 0.00 O ATOM 734 CB GLU A 51 8.965 -13.098 2.416 1.00 0.00 C ATOM 735 CG GLU A 51 8.649 -12.863 0.937 1.00 0.00 C ATOM 736 CD GLU A 51 9.952 -12.810 0.137 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.003 -12.772 0.755 1.00 0.01 O ATOM 738 OE2 GLU A 51 9.876 -12.810 -1.081 1.00 0.00 O ATOM 0 H GLU A 51 7.562 -11.061 2.802 1.00 0.01 H new ATOM 0 HA GLU A 51 6.984 -13.851 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.603 -12.299 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.516 -14.030 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.011 -13.662 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.098 -11.930 0.816 1.00 0.00 H new ATOM 745 N TYR A 52 8.390 -12.688 5.466 1.00 0.00 N ATOM 746 CA TYR A 52 8.696 -13.034 6.877 1.00 0.01 C ATOM 747 C TYR A 52 7.421 -13.558 7.546 1.00 0.01 C ATOM 748 O TYR A 52 7.453 -14.504 8.307 1.00 0.01 O ATOM 749 CB TYR A 52 9.187 -11.773 7.598 1.00 0.00 C ATOM 750 CG TYR A 52 9.886 -12.159 8.877 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.141 -12.473 10.017 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.284 -12.209 8.917 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.794 -12.836 11.198 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.937 -12.572 10.098 1.00 0.00 C ATOM 755 CZ TYR A 52 11.193 -12.887 11.239 1.00 0.01 C ATOM 756 OH TYR A 52 11.839 -13.248 12.406 1.00 0.01 O ATOM 0 H TYR A 52 8.551 -11.712 5.217 1.00 0.00 H new ATOM 0 HA TYR A 52 9.468 -13.802 6.924 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.868 -11.216 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.345 -11.116 7.816 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.062 -12.435 9.985 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.858 -11.967 8.035 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.219 -13.077 12.080 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.016 -12.609 10.129 1.00 0.00 H new ATOM 0 HH TYR A 52 11.176 -13.499 13.083 1.00 0.01 H new ATOM 766 N LYS A 53 6.298 -12.956 7.259 1.00 0.01 N ATOM 767 CA LYS A 53 5.022 -13.425 7.870 1.00 0.01 C ATOM 768 C LYS A 53 4.620 -14.785 7.292 1.00 0.01 C ATOM 769 O LYS A 53 3.863 -15.518 7.897 1.00 0.01 O ATOM 770 CB LYS A 53 3.908 -12.414 7.602 1.00 0.01 C ATOM 771 CG LYS A 53 4.162 -11.151 8.429 1.00 0.00 C ATOM 772 CD LYS A 53 3.119 -10.078 8.091 1.00 0.00 C ATOM 773 CE LYS A 53 1.701 -10.624 8.295 1.00 0.01 C ATOM 774 NZ LYS A 53 1.276 -11.367 7.075 1.00 0.00 N ATOM 0 H LYS A 53 6.210 -12.160 6.628 1.00 0.01 H new ATOM 0 HA LYS A 53 5.173 -13.524 8.945 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.873 -12.167 6.541 1.00 0.01 H new ATOM 0 HB3 LYS A 53 2.941 -12.844 7.861 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.119 -11.389 9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.164 -10.771 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.272 -9.202 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.245 -9.753 7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.675 -11.283 9.163 1.00 0.01 H new ATOM 0 HE3 LYS A 53 1.010 -9.805 8.495 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 0.369 -10.988 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.996 -11.257 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.166 -12.376 7.304 1.00 0.00 H new ATOM 788 N LYS A 54 5.110 -15.141 6.131 1.00 0.00 N ATOM 789 CA LYS A 54 4.731 -16.464 5.548 1.00 0.01 C ATOM 790 C LYS A 54 5.648 -17.550 6.102 1.00 0.01 C ATOM 791 O LYS A 54 5.235 -18.672 6.313 1.00 0.01 O ATOM 792 CB LYS A 54 4.852 -16.431 4.021 1.00 0.01 C ATOM 793 CG LYS A 54 3.756 -15.543 3.429 1.00 0.01 C ATOM 794 CD LYS A 54 3.892 -15.520 1.904 1.00 0.00 C ATOM 795 CE LYS A 54 2.799 -14.639 1.298 1.00 0.01 C ATOM 796 NZ LYS A 54 2.990 -14.558 -0.177 1.00 0.01 N ATOM 0 H LYS A 54 5.749 -14.580 5.567 1.00 0.00 H new ATOM 0 HA LYS A 54 3.697 -16.680 5.818 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.833 -16.053 3.734 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.770 -17.441 3.619 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.774 -15.921 3.712 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.836 -14.532 3.828 1.00 0.01 H new ATOM 0 HD2 LYS A 54 4.875 -15.141 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.816 -16.533 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.816 -15.051 1.526 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.836 -13.642 1.736 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.247 -13.959 -0.591 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.922 -14.146 -0.384 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 2.934 -15.512 -0.587 1.00 0.01 H new ATOM 810 N ILE A 55 6.884 -17.230 6.361 1.00 0.01 N ATOM 811 CA ILE A 55 7.800 -18.257 6.924 1.00 0.01 C ATOM 812 C ILE A 55 7.417 -18.513 8.381 1.00 0.00 C ATOM 813 O ILE A 55 7.571 -17.655 9.226 1.00 0.01 O ATOM 814 CB ILE A 55 9.243 -17.755 6.863 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.644 -17.535 5.397 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.168 -18.792 7.504 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.017 -16.850 5.319 1.00 0.01 C ATOM 0 H ILE A 55 7.296 -16.310 6.209 1.00 0.01 H new ATOM 0 HA ILE A 55 7.717 -19.177 6.346 1.00 0.01 H new ATOM 0 HB ILE A 55 9.328 -16.813 7.405 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.676 -18.491 4.874 1.00 0.01 H new ATOM 0 HG13 ILE A 55 8.895 -16.922 4.896 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.198 -18.437 7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.879 -18.944 8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.087 -19.735 6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.290 -16.700 4.274 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.972 -15.885 5.825 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.765 -17.478 5.803 1.00 0.01 H new ATOM 829 N LYS A 56 6.917 -19.684 8.687 1.00 0.01 N ATOM 830 CA LYS A 56 6.522 -19.986 10.098 1.00 0.01 C ATOM 831 C LYS A 56 7.648 -20.754 10.791 1.00 0.01 C ATOM 832 O LYS A 56 7.551 -21.101 11.949 1.00 0.01 O ATOM 833 CB LYS A 56 5.244 -20.827 10.113 1.00 0.01 C ATOM 834 CG LYS A 56 4.072 -19.962 9.648 1.00 0.01 C ATOM 835 CD LYS A 56 2.782 -20.786 9.662 1.00 0.00 C ATOM 836 CE LYS A 56 1.617 -19.912 9.197 1.00 0.00 C ATOM 837 NZ LYS A 56 0.336 -20.654 9.371 1.00 0.00 N ATOM 0 H LYS A 56 6.765 -20.443 8.023 1.00 0.01 H new ATOM 0 HA LYS A 56 6.340 -19.050 10.627 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.355 -21.692 9.460 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.056 -21.208 11.117 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.967 -19.095 10.300 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.263 -19.585 8.643 1.00 0.01 H new ATOM 0 HD2 LYS A 56 2.884 -21.653 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.590 -21.164 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.593 -18.985 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.750 -19.637 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.456 -20.059 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.361 -21.527 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.208 -20.895 10.375 1.00 0.00 H new ATOM 851 N SER A 57 8.720 -21.014 10.089 1.00 0.00 N ATOM 852 CA SER A 57 9.866 -21.751 10.702 1.00 0.01 C ATOM 853 C SER A 57 10.855 -20.722 11.295 1.00 0.01 C ATOM 854 O SER A 57 11.466 -19.986 10.550 1.00 0.00 O ATOM 855 CB SER A 57 10.582 -22.543 9.608 1.00 0.01 C ATOM 856 OG SER A 57 9.713 -23.555 9.117 1.00 0.01 O ATOM 0 H SER A 57 8.852 -20.747 9.114 1.00 0.00 H new ATOM 0 HA SER A 57 9.508 -22.424 11.481 1.00 0.01 H new ATOM 0 HB2 SER A 57 10.880 -21.878 8.797 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.493 -22.991 10.004 1.00 0.01 H new ATOM 0 HG SER A 57 10.240 -24.248 8.667 1.00 0.01 H new ATOM 862 N PRO A 58 11.028 -20.640 12.606 1.00 0.00 N ATOM 863 CA PRO A 58 11.974 -19.637 13.175 1.00 0.01 C ATOM 864 C PRO A 58 13.441 -19.962 12.849 1.00 0.00 C ATOM 865 O PRO A 58 14.334 -19.189 13.133 1.00 0.00 O ATOM 866 CB PRO A 58 11.696 -19.726 14.689 1.00 0.01 C ATOM 867 CG PRO A 58 10.821 -20.968 14.951 1.00 0.01 C ATOM 868 CD PRO A 58 10.322 -21.510 13.596 1.00 0.01 C ATOM 0 HA PRO A 58 11.826 -18.639 12.763 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.632 -19.798 15.243 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.189 -18.825 15.035 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.395 -21.732 15.476 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.976 -20.709 15.589 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.577 -22.561 13.463 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.239 -21.430 13.503 1.00 0.01 H new ATOM 876 N SER A 59 13.696 -21.098 12.257 1.00 0.01 N ATOM 877 CA SER A 59 15.103 -21.463 11.919 1.00 0.01 C ATOM 878 C SER A 59 15.494 -20.825 10.584 1.00 0.01 C ATOM 879 O SER A 59 16.660 -20.639 10.293 1.00 0.01 O ATOM 880 CB SER A 59 15.220 -22.982 11.807 1.00 0.01 C ATOM 881 OG SER A 59 14.468 -23.430 10.687 1.00 0.01 O ATOM 0 H SER A 59 12.993 -21.788 11.993 1.00 0.01 H new ATOM 0 HA SER A 59 15.768 -21.100 12.702 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.265 -23.271 11.697 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.853 -23.455 12.718 1.00 0.01 H new ATOM 0 HG SER A 59 14.543 -24.404 10.611 1.00 0.01 H new ATOM 887 N LYS A 60 14.533 -20.492 9.764 1.00 0.00 N ATOM 888 CA LYS A 60 14.851 -19.868 8.443 1.00 0.00 C ATOM 889 C LYS A 60 14.778 -18.347 8.564 1.00 0.01 C ATOM 890 O LYS A 60 15.322 -17.625 7.753 1.00 0.01 O ATOM 891 CB LYS A 60 13.834 -20.343 7.407 1.00 0.01 C ATOM 892 CG LYS A 60 13.993 -21.846 7.187 1.00 0.01 C ATOM 893 CD LYS A 60 12.975 -22.322 6.147 1.00 0.01 C ATOM 894 CE LYS A 60 13.136 -23.825 5.929 1.00 0.01 C ATOM 895 NZ LYS A 60 12.810 -24.544 7.194 1.00 0.01 N ATOM 0 H LYS A 60 13.539 -20.625 9.951 1.00 0.00 H new ATOM 0 HA LYS A 60 15.855 -20.158 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.822 -20.120 7.746 1.00 0.01 H new ATOM 0 HB3 LYS A 60 13.980 -19.810 6.468 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.005 -22.070 6.849 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.845 -22.379 8.126 1.00 0.01 H new ATOM 0 HD2 LYS A 60 11.963 -22.099 6.484 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.123 -21.789 5.207 1.00 0.01 H new ATOM 0 HE2 LYS A 60 12.479 -24.160 5.127 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.157 -24.052 5.621 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 12.603 -25.541 6.983 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 13.620 -24.488 7.844 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 11.979 -24.105 7.639 1.00 0.01 H new ATOM 909 N LEU A 61 14.119 -17.851 9.570 1.00 0.01 N ATOM 910 CA LEU A 61 14.025 -16.372 9.735 1.00 0.01 C ATOM 911 C LEU A 61 15.430 -15.798 9.931 1.00 0.01 C ATOM 912 O LEU A 61 15.761 -14.749 9.415 1.00 0.01 O ATOM 913 CB LEU A 61 13.164 -16.040 10.957 1.00 0.01 C ATOM 914 CG LEU A 61 11.749 -16.611 10.783 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.900 -16.273 12.022 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.086 -16.025 9.520 1.00 0.01 C ATOM 0 H LEU A 61 13.642 -18.401 10.284 1.00 0.01 H new ATOM 0 HA LEU A 61 13.569 -15.936 8.846 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.622 -16.453 11.856 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.113 -14.960 11.092 1.00 0.01 H new ATOM 0 HG LEU A 61 11.816 -17.693 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.896 -16.679 11.897 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.360 -16.710 12.908 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.842 -15.191 12.139 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.084 -16.439 9.410 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.023 -14.941 9.612 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.682 -16.281 8.644 1.00 0.01 H new ATOM 928 N SER A 62 16.256 -16.475 10.679 1.00 0.00 N ATOM 929 CA SER A 62 17.637 -15.969 10.925 1.00 0.01 C ATOM 930 C SER A 62 18.295 -15.513 9.605 1.00 0.01 C ATOM 931 O SER A 62 18.575 -14.342 9.440 1.00 0.01 O ATOM 932 CB SER A 62 18.469 -17.064 11.613 1.00 0.01 C ATOM 933 OG SER A 62 18.469 -16.828 13.013 1.00 0.01 O ATOM 0 H SER A 62 16.034 -17.361 11.133 1.00 0.00 H new ATOM 0 HA SER A 62 17.590 -15.101 11.582 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.051 -18.047 11.396 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.489 -17.059 11.230 1.00 0.01 H new ATOM 0 HG SER A 62 18.996 -17.522 13.462 1.00 0.01 H new ATOM 939 N PRO A 63 18.548 -16.403 8.669 1.00 0.00 N ATOM 940 CA PRO A 63 19.184 -16.005 7.382 1.00 0.00 C ATOM 941 C PRO A 63 18.695 -14.651 6.838 1.00 0.01 C ATOM 942 O PRO A 63 19.457 -13.710 6.732 1.00 0.00 O ATOM 943 CB PRO A 63 18.785 -17.171 6.454 1.00 0.01 C ATOM 944 CG PRO A 63 18.290 -18.339 7.335 1.00 0.01 C ATOM 945 CD PRO A 63 18.237 -17.857 8.800 1.00 0.01 C ATOM 0 HA PRO A 63 20.259 -15.852 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.002 -16.857 5.764 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.636 -17.485 5.850 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.304 -18.668 7.008 1.00 0.01 H new ATOM 0 HG3 PRO A 63 18.959 -19.194 7.241 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.257 -18.024 9.248 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.966 -18.374 9.425 1.00 0.01 H new ATOM 953 N LYS A 64 17.448 -14.551 6.463 1.00 0.01 N ATOM 954 CA LYS A 64 16.951 -13.260 5.899 1.00 0.01 C ATOM 955 C LYS A 64 16.711 -12.228 7.007 1.00 0.00 C ATOM 956 O LYS A 64 16.694 -11.040 6.755 1.00 0.00 O ATOM 957 CB LYS A 64 15.657 -13.503 5.112 1.00 0.00 C ATOM 958 CG LYS A 64 14.471 -13.731 6.061 1.00 0.01 C ATOM 959 CD LYS A 64 13.244 -14.221 5.252 1.00 0.01 C ATOM 960 CE LYS A 64 11.953 -13.618 5.814 1.00 0.01 C ATOM 961 NZ LYS A 64 10.806 -14.031 4.958 1.00 0.00 N ATOM 0 H LYS A 64 16.757 -15.299 6.521 1.00 0.01 H new ATOM 0 HA LYS A 64 17.713 -12.861 5.229 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.453 -12.648 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.779 -14.370 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.736 -14.467 6.820 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.228 -12.806 6.585 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.357 -13.941 4.205 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.189 -15.309 5.287 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.797 -13.954 6.839 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.028 -12.531 5.843 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 10.304 -13.186 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.158 -14.574 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.154 -14.622 5.512 1.00 0.00 H new ATOM 975 N ALA A 65 16.527 -12.652 8.229 1.00 0.00 N ATOM 976 CA ALA A 65 16.295 -11.656 9.314 1.00 0.01 C ATOM 977 C ALA A 65 17.482 -10.700 9.365 1.00 0.01 C ATOM 978 O ALA A 65 17.326 -9.495 9.373 1.00 0.01 O ATOM 979 CB ALA A 65 16.176 -12.365 10.662 1.00 0.01 C ATOM 0 H ALA A 65 16.527 -13.630 8.520 1.00 0.00 H new ATOM 0 HA ALA A 65 15.373 -11.112 9.111 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.007 -11.628 11.447 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.339 -13.063 10.633 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.097 -12.910 10.869 1.00 0.01 H new ATOM 985 N LYS A 66 18.671 -11.232 9.397 1.00 0.01 N ATOM 986 CA LYS A 66 19.870 -10.357 9.444 1.00 0.00 C ATOM 987 C LYS A 66 19.896 -9.464 8.204 1.00 0.01 C ATOM 988 O LYS A 66 20.179 -8.288 8.290 1.00 0.01 O ATOM 989 CB LYS A 66 21.129 -11.224 9.480 1.00 0.01 C ATOM 990 CG LYS A 66 21.215 -11.927 10.835 1.00 0.01 C ATOM 991 CD LYS A 66 22.471 -12.796 10.881 1.00 0.01 C ATOM 992 CE LYS A 66 22.556 -13.497 12.236 1.00 0.00 C ATOM 993 NZ LYS A 66 23.597 -14.562 12.176 1.00 0.00 N ATOM 0 H LYS A 66 18.862 -12.234 9.393 1.00 0.01 H new ATOM 0 HA LYS A 66 19.834 -9.734 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.102 -11.960 8.676 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.014 -10.608 9.319 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.240 -11.190 11.638 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.329 -12.542 10.994 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.445 -13.534 10.079 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.357 -12.182 10.721 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.801 -12.776 13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.590 -13.931 12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.657 -15.041 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.344 -15.254 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.517 -14.135 11.947 1.00 0.00 H new ATOM 1007 N LYS A 67 19.605 -10.009 7.051 1.00 0.00 N ATOM 1008 CA LYS A 67 19.626 -9.168 5.817 1.00 0.00 C ATOM 1009 C LYS A 67 18.574 -8.064 5.920 1.00 0.01 C ATOM 1010 O LYS A 67 18.854 -6.903 5.698 1.00 0.01 O ATOM 1011 CB LYS A 67 19.316 -10.037 4.595 1.00 0.00 C ATOM 1012 CG LYS A 67 20.461 -11.025 4.363 1.00 0.01 C ATOM 1013 CD LYS A 67 20.150 -11.892 3.141 1.00 0.00 C ATOM 1014 CE LYS A 67 21.295 -12.880 2.914 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.374 -13.817 4.071 1.00 0.01 N ATOM 0 H LYS A 67 19.357 -10.988 6.911 1.00 0.00 H new ATOM 0 HA LYS A 67 20.615 -8.722 5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.382 -10.577 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.180 -9.409 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.396 -10.485 4.210 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.596 -11.654 5.243 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.215 -12.431 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.017 -11.264 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.133 -13.437 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.237 -12.343 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.476 -14.791 3.722 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.195 -13.573 4.660 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 20.506 -13.741 4.639 1.00 0.01 H new ATOM 1029 N ILE A 68 17.363 -8.414 6.256 1.00 0.01 N ATOM 1030 CA ILE A 68 16.298 -7.380 6.373 1.00 0.00 C ATOM 1031 C ILE A 68 16.680 -6.384 7.466 1.00 0.01 C ATOM 1032 O ILE A 68 16.655 -5.184 7.271 1.00 0.00 O ATOM 1033 CB ILE A 68 14.978 -8.057 6.740 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.543 -8.973 5.594 1.00 0.00 C ATOM 1035 CG2 ILE A 68 13.901 -6.998 6.982 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.365 -9.838 6.050 1.00 0.00 C ATOM 0 H ILE A 68 17.066 -9.369 6.454 1.00 0.01 H new ATOM 0 HA ILE A 68 16.188 -6.855 5.424 1.00 0.00 H new ATOM 0 HB ILE A 68 15.114 -8.644 7.648 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.256 -8.377 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.375 -9.606 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 68 12.962 -7.487 7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.210 -6.345 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.762 -6.407 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.055 -10.490 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.668 -10.444 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.532 -9.196 6.338 1.00 0.00 H new ATOM 1048 N TYR A 69 17.037 -6.880 8.616 1.00 0.00 N ATOM 1049 CA TYR A 69 17.428 -5.983 9.734 1.00 0.01 C ATOM 1050 C TYR A 69 18.657 -5.163 9.339 1.00 0.00 C ATOM 1051 O TYR A 69 18.689 -3.958 9.478 1.00 0.01 O ATOM 1052 CB TYR A 69 17.752 -6.843 10.956 1.00 0.01 C ATOM 1053 CG TYR A 69 18.198 -5.971 12.106 1.00 0.01 C ATOM 1054 CD1 TYR A 69 17.255 -5.467 13.009 1.00 0.00 C ATOM 1055 CD2 TYR A 69 19.556 -5.672 12.271 1.00 0.01 C ATOM 1056 CE1 TYR A 69 17.670 -4.661 14.077 1.00 0.01 C ATOM 1057 CE2 TYR A 69 19.972 -4.866 13.339 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.027 -4.361 14.242 1.00 0.01 C ATOM 1059 OH TYR A 69 19.435 -3.567 15.296 1.00 0.01 O ATOM 0 H TYR A 69 17.075 -7.877 8.830 1.00 0.00 H new ATOM 0 HA TYR A 69 16.611 -5.299 9.964 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.874 -7.419 11.247 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.536 -7.559 10.708 1.00 0.01 H new ATOM 0 HD1 TYR A 69 16.208 -5.699 12.883 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.283 -6.063 11.575 1.00 0.01 H new ATOM 0 HE1 TYR A 69 16.942 -4.271 14.773 1.00 0.01 H new ATOM 0 HE2 TYR A 69 21.019 -4.634 13.466 1.00 0.01 H new ATOM 0 HH TYR A 69 20.408 -3.458 15.265 1.00 0.01 H new ATOM 1069 N ASN A 70 19.672 -5.813 8.845 1.00 0.01 N ATOM 1070 CA ASN A 70 20.901 -5.080 8.441 1.00 0.00 C ATOM 1071 C ASN A 70 20.565 -4.107 7.311 1.00 0.00 C ATOM 1072 O ASN A 70 21.098 -3.021 7.228 1.00 0.01 O ATOM 1073 CB ASN A 70 21.963 -6.070 7.956 1.00 0.00 C ATOM 1074 CG ASN A 70 22.487 -6.881 9.144 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.502 -6.402 10.261 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.921 -8.095 8.952 1.00 0.01 N ATOM 0 H ASN A 70 19.703 -6.823 8.704 1.00 0.01 H new ATOM 0 HA ASN A 70 21.287 -4.530 9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.538 -6.737 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.783 -5.534 7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.272 -8.641 9.738 1.00 0.01 H new ATOM 0 HD22 ASN A 70 22.909 -8.499 8.015 1.00 0.01 H new ATOM 1083 N GLU A 71 19.710 -4.509 6.418 1.00 0.00 N ATOM 1084 CA GLU A 71 19.362 -3.629 5.270 1.00 0.00 C ATOM 1085 C GLU A 71 18.384 -2.514 5.677 1.00 0.00 C ATOM 1086 O GLU A 71 18.675 -1.348 5.521 1.00 0.00 O ATOM 1087 CB GLU A 71 18.726 -4.481 4.165 1.00 0.00 C ATOM 1088 CG GLU A 71 18.377 -3.605 2.954 1.00 0.00 C ATOM 1089 CD GLU A 71 17.756 -4.471 1.858 1.00 0.00 C ATOM 1090 OE1 GLU A 71 17.799 -5.682 1.991 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.250 -3.908 0.901 1.00 0.00 O ATOM 0 H GLU A 71 19.235 -5.411 6.432 1.00 0.00 H new ATOM 0 HA GLU A 71 20.278 -3.156 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.413 -5.272 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.826 -4.967 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.681 -2.819 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.274 -3.112 2.578 1.00 0.00 H new ATOM 1098 N PHE A 72 17.202 -2.855 6.127 1.00 0.00 N ATOM 1099 CA PHE A 72 16.191 -1.792 6.459 1.00 0.00 C ATOM 1100 C PHE A 72 16.278 -1.278 7.908 1.00 0.00 C ATOM 1101 O PHE A 72 15.862 -0.168 8.178 1.00 0.00 O ATOM 1102 CB PHE A 72 14.789 -2.360 6.227 1.00 0.00 C ATOM 1103 CG PHE A 72 14.574 -2.580 4.747 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.036 -1.557 3.957 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.909 -3.809 4.166 1.00 0.00 C ATOM 1106 CE1 PHE A 72 13.835 -1.761 2.587 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.708 -4.013 2.795 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.171 -2.989 2.006 1.00 0.00 C ATOM 0 H PHE A 72 16.891 -3.814 6.279 1.00 0.00 H new ATOM 0 HA PHE A 72 16.405 -0.943 5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.672 -3.300 6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.038 -1.673 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.776 -0.609 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.322 -4.600 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.421 -0.971 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 72 14.967 -4.961 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.016 -3.147 0.949 1.00 0.00 H new ATOM 1118 N ILE A 73 16.761 -2.054 8.851 1.00 0.00 N ATOM 1119 CA ILE A 73 16.793 -1.555 10.278 1.00 0.00 C ATOM 1120 C ILE A 73 18.177 -1.033 10.667 1.00 0.00 C ATOM 1121 O ILE A 73 18.316 -0.349 11.661 1.00 0.01 O ATOM 1122 CB ILE A 73 16.409 -2.690 11.236 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.042 -3.290 10.836 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.355 -2.152 12.672 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.871 -2.429 11.345 1.00 0.00 C ATOM 0 H ILE A 73 17.129 -2.994 8.706 1.00 0.00 H new ATOM 0 HA ILE A 73 16.079 -0.734 10.351 1.00 0.00 H new ATOM 0 HB ILE A 73 17.160 -3.478 11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.986 -3.376 9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.955 -4.298 11.240 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.082 -2.958 13.353 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.332 -1.758 12.950 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.612 -1.357 12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.927 -2.884 11.044 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.912 -2.365 12.432 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.944 -1.428 10.920 1.00 0.00 H new ATOM 1137 N SER A 74 19.204 -1.327 9.923 1.00 0.01 N ATOM 1138 CA SER A 74 20.541 -0.804 10.320 1.00 0.00 C ATOM 1139 C SER A 74 20.482 0.720 10.371 1.00 0.00 C ATOM 1140 O SER A 74 20.049 1.360 9.435 1.00 0.01 O ATOM 1141 CB SER A 74 21.597 -1.225 9.301 1.00 0.00 C ATOM 1142 OG SER A 74 22.831 -0.593 9.616 1.00 0.01 O ATOM 0 H SER A 74 19.180 -1.894 9.075 1.00 0.01 H new ATOM 0 HA SER A 74 20.806 -1.207 11.297 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.717 -2.308 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.280 -0.948 8.296 1.00 0.00 H new ATOM 0 HG SER A 74 23.512 -0.862 8.965 1.00 0.01 H new ATOM 1148 N VAL A 75 20.922 1.314 11.448 1.00 0.01 N ATOM 1149 CA VAL A 75 20.895 2.797 11.529 1.00 0.01 C ATOM 1150 C VAL A 75 21.752 3.357 10.388 1.00 0.00 C ATOM 1151 O VAL A 75 21.659 4.515 10.033 1.00 0.00 O ATOM 1152 CB VAL A 75 21.443 3.254 12.886 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.602 2.642 14.011 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.900 2.808 13.033 1.00 0.00 C ATOM 0 H VAL A 75 21.296 0.837 12.269 1.00 0.01 H new ATOM 0 HA VAL A 75 19.873 3.163 11.435 1.00 0.01 H new ATOM 0 HB VAL A 75 21.393 4.341 12.946 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.992 2.967 14.975 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.567 2.968 13.910 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.648 1.555 13.949 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.285 3.135 13.999 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.956 1.721 12.969 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.498 3.250 12.236 1.00 0.00 H new ATOM 1164 N GLN A 76 22.580 2.525 9.803 1.00 0.01 N ATOM 1165 CA GLN A 76 23.446 2.973 8.667 1.00 0.01 C ATOM 1166 C GLN A 76 22.795 2.528 7.356 1.00 0.01 C ATOM 1167 O GLN A 76 23.330 2.727 6.282 1.00 0.01 O ATOM 1168 CB GLN A 76 24.827 2.313 8.776 1.00 0.00 C ATOM 1169 CG GLN A 76 25.558 2.802 10.031 1.00 0.01 C ATOM 1170 CD GLN A 76 25.761 4.318 9.961 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.431 4.813 9.075 1.00 0.01 O ATOM 1172 NE2 GLN A 76 25.204 5.080 10.861 1.00 0.01 N ATOM 0 H GLN A 76 22.694 1.546 10.067 1.00 0.01 H new ATOM 0 HA GLN A 76 23.557 4.057 8.696 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.717 1.229 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.418 2.545 7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 76 24.983 2.544 10.920 1.00 0.01 H new ATOM 0 HG3 GLN A 76 26.522 2.301 10.119 1.00 0.01 H new ATOM 0 HE21 GLN A 76 24.642 4.665 11.604 1.00 0.01 H new ATOM 0 HE22 GLN A 76 25.330 6.091 10.822 1.00 0.01 H new ATOM 1181 N ALA A 77 21.645 1.920 7.441 1.00 0.01 N ATOM 1182 CA ALA A 77 20.945 1.446 6.215 1.00 0.00 C ATOM 1183 C ALA A 77 20.919 2.558 5.163 1.00 0.01 C ATOM 1184 O ALA A 77 20.703 3.713 5.473 1.00 0.00 O ATOM 1185 CB ALA A 77 19.509 1.068 6.582 1.00 0.00 C ATOM 0 H ALA A 77 21.156 1.730 8.316 1.00 0.01 H new ATOM 0 HA ALA A 77 21.471 0.582 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.986 0.719 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.521 0.275 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.995 1.940 6.986 1.00 0.00 H new ATOM 1191 N THR A 78 21.127 2.214 3.919 1.00 0.01 N ATOM 1192 CA THR A 78 21.103 3.248 2.846 1.00 0.01 C ATOM 1193 C THR A 78 19.667 3.729 2.654 1.00 0.01 C ATOM 1194 O THR A 78 19.423 4.798 2.128 1.00 0.00 O ATOM 1195 CB THR A 78 21.606 2.640 1.535 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.726 1.601 1.129 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.010 2.072 1.737 1.00 0.01 C ATOM 0 H THR A 78 21.312 1.263 3.601 1.00 0.01 H new ATOM 0 HA THR A 78 21.744 4.083 3.129 1.00 0.01 H new ATOM 0 HB THR A 78 21.638 3.412 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.046 1.211 0.288 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.366 1.640 0.802 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.684 2.870 2.047 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.983 1.300 2.506 1.00 0.01 H new ATOM 1205 N LYS A 79 18.713 2.942 3.085 1.00 0.00 N ATOM 1206 CA LYS A 79 17.275 3.324 2.949 1.00 0.00 C ATOM 1207 C LYS A 79 16.591 3.155 4.305 1.00 0.00 C ATOM 1208 O LYS A 79 15.906 2.184 4.551 1.00 0.00 O ATOM 1209 CB LYS A 79 16.600 2.419 1.908 1.00 0.00 C ATOM 1210 CG LYS A 79 17.108 0.978 2.060 1.00 0.00 C ATOM 1211 CD LYS A 79 16.342 0.045 1.105 1.00 0.01 C ATOM 1212 CE LYS A 79 16.917 0.157 -0.312 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.271 -0.855 -1.199 1.00 0.00 N ATOM 0 H LYS A 79 18.873 2.039 3.531 1.00 0.00 H new ATOM 0 HA LYS A 79 17.193 4.361 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.518 2.448 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.812 2.785 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.176 0.936 1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.977 0.645 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.413 -0.985 1.455 1.00 0.01 H new ATOM 0 HD3 LYS A 79 15.284 0.307 1.099 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.748 1.160 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.995 0.000 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.663 -0.776 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.454 -1.809 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.245 -0.686 -1.229 1.00 0.00 H new ATOM 1227 N GLU A 80 16.775 4.098 5.187 1.00 0.00 N ATOM 1228 CA GLU A 80 16.139 3.994 6.527 1.00 0.00 C ATOM 1229 C GLU A 80 14.627 3.971 6.375 1.00 0.00 C ATOM 1230 O GLU A 80 14.071 4.570 5.479 1.00 0.00 O ATOM 1231 CB GLU A 80 16.532 5.193 7.387 1.00 0.00 C ATOM 1232 CG GLU A 80 17.991 5.061 7.804 1.00 0.00 C ATOM 1233 CD GLU A 80 18.136 3.927 8.816 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.120 3.464 9.310 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.261 3.540 9.080 1.00 0.00 O ATOM 0 H GLU A 80 17.338 4.935 5.037 1.00 0.00 H new ATOM 0 HA GLU A 80 16.478 3.075 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.384 6.118 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.894 5.247 8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.613 4.864 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.341 5.997 8.239 1.00 0.00 H new ATOM 1242 N VAL A 81 13.963 3.287 7.261 1.00 0.00 N ATOM 1243 CA VAL A 81 12.469 3.204 7.206 1.00 0.00 C ATOM 1244 C VAL A 81 11.889 4.014 8.365 1.00 0.00 C ATOM 1245 O VAL A 81 12.435 4.047 9.450 1.00 0.00 O ATOM 1246 CB VAL A 81 12.045 1.740 7.326 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.411 1.000 6.038 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.775 1.100 8.505 1.00 0.00 C ATOM 0 H VAL A 81 14.392 2.774 8.032 1.00 0.00 H new ATOM 0 HA VAL A 81 12.101 3.606 6.262 1.00 0.00 H new ATOM 0 HB VAL A 81 10.969 1.681 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.110 -0.044 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.896 1.461 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.488 1.056 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.476 0.056 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.851 1.156 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.520 1.631 9.422 1.00 0.00 H new ATOM 1258 N ASN A 82 10.792 4.683 8.140 1.00 0.00 N ATOM 1259 CA ASN A 82 10.187 5.507 9.224 1.00 0.00 C ATOM 1260 C ASN A 82 9.557 4.593 10.276 1.00 0.00 C ATOM 1261 O ASN A 82 8.505 4.021 10.073 1.00 0.00 O ATOM 1262 CB ASN A 82 9.115 6.416 8.618 1.00 0.00 C ATOM 1263 CG ASN A 82 8.280 5.616 7.615 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.324 4.402 7.602 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.518 6.251 6.767 1.00 0.00 N ATOM 0 H ASN A 82 10.289 4.695 7.253 1.00 0.00 H new ATOM 0 HA ASN A 82 10.957 6.114 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.475 6.816 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.582 7.267 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.959 5.728 6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.481 7.270 6.778 1.00 0.00 H new ATOM 1272 N LEU A 83 10.204 4.455 11.404 1.00 0.00 N ATOM 1273 CA LEU A 83 9.668 3.583 12.493 1.00 0.00 C ATOM 1274 C LEU A 83 10.031 4.205 13.843 1.00 0.00 C ATOM 1275 O LEU A 83 10.924 5.021 13.941 1.00 0.00 O ATOM 1276 CB LEU A 83 10.302 2.188 12.408 1.00 0.01 C ATOM 1277 CG LEU A 83 9.825 1.439 11.154 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.632 0.143 11.014 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.326 1.101 11.266 1.00 0.00 C ATOM 0 H LEU A 83 11.089 4.913 11.620 1.00 0.00 H new ATOM 0 HA LEU A 83 8.587 3.496 12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.388 2.279 12.390 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.045 1.614 13.298 1.00 0.01 H new ATOM 0 HG LEU A 83 9.974 2.072 10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.302 -0.397 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.691 0.382 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.478 -0.479 11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.005 0.571 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.159 0.471 12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.752 2.022 11.368 1.00 0.00 H new ATOM 1291 N ASP A 84 9.350 3.823 14.886 1.00 0.01 N ATOM 1292 CA ASP A 84 9.664 4.393 16.227 1.00 0.00 C ATOM 1293 C ASP A 84 10.983 3.798 16.735 1.00 0.00 C ATOM 1294 O ASP A 84 11.476 2.819 16.214 1.00 0.00 O ATOM 1295 CB ASP A 84 8.533 4.060 17.201 1.00 0.00 C ATOM 1296 CG ASP A 84 8.114 2.601 17.016 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.733 2.255 15.910 1.00 0.01 O ATOM 1298 OD2 ASP A 84 8.181 1.857 17.981 1.00 0.00 O ATOM 0 H ASP A 84 8.591 3.142 14.869 1.00 0.01 H new ATOM 0 HA ASP A 84 9.763 5.476 16.152 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.861 4.228 18.227 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.682 4.719 17.026 1.00 0.00 H new ATOM 1303 N SER A 85 11.562 4.394 17.743 1.00 0.00 N ATOM 1304 CA SER A 85 12.852 3.875 18.280 1.00 0.01 C ATOM 1305 C SER A 85 12.628 2.537 18.990 1.00 0.01 C ATOM 1306 O SER A 85 13.542 1.761 19.165 1.00 0.00 O ATOM 1307 CB SER A 85 13.437 4.885 19.268 1.00 0.01 C ATOM 1308 OG SER A 85 13.691 6.109 18.593 1.00 0.00 O ATOM 0 H SER A 85 11.196 5.219 18.218 1.00 0.00 H new ATOM 0 HA SER A 85 13.546 3.726 17.453 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.743 5.048 20.093 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.359 4.496 19.700 1.00 0.01 H new ATOM 0 HG SER A 85 14.064 6.759 19.224 1.00 0.00 H new ATOM 1314 N CYS A 86 11.423 2.257 19.405 1.00 0.01 N ATOM 1315 CA CYS A 86 11.164 0.966 20.105 1.00 0.01 C ATOM 1316 C CYS A 86 10.999 -0.149 19.070 1.00 0.00 C ATOM 1317 O CYS A 86 11.496 -1.246 19.239 1.00 0.01 O ATOM 1318 CB CYS A 86 9.885 1.084 20.937 1.00 0.01 C ATOM 1319 SG CYS A 86 9.719 -0.371 21.998 1.00 0.01 S ATOM 0 H CYS A 86 10.610 2.862 19.291 1.00 0.01 H new ATOM 0 HA CYS A 86 12.003 0.733 20.761 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.916 1.989 21.544 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.019 1.170 20.281 1.00 0.01 H new ATOM 0 HG CYS A 86 8.634 -0.270 22.706 1.00 0.01 H new ATOM 1325 N THR A 87 10.310 0.123 18.000 1.00 0.00 N ATOM 1326 CA THR A 87 10.120 -0.922 16.955 1.00 0.00 C ATOM 1327 C THR A 87 11.476 -1.359 16.402 1.00 0.00 C ATOM 1328 O THR A 87 11.774 -2.535 16.329 1.00 0.01 O ATOM 1329 CB THR A 87 9.262 -0.348 15.825 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.972 -0.044 16.332 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.138 -1.362 14.686 1.00 0.00 C ATOM 0 H THR A 87 9.870 1.022 17.802 1.00 0.00 H new ATOM 0 HA THR A 87 9.622 -1.788 17.392 1.00 0.00 H new ATOM 0 HB THR A 87 9.734 0.556 15.440 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.579 0.686 15.809 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.525 -0.941 13.889 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.129 -1.595 14.297 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.671 -2.273 15.059 1.00 0.00 H new ATOM 1339 N ARG A 88 12.307 -0.429 16.014 1.00 0.01 N ATOM 1340 CA ARG A 88 13.638 -0.816 15.472 1.00 0.00 C ATOM 1341 C ARG A 88 14.421 -1.558 16.552 1.00 0.00 C ATOM 1342 O ARG A 88 14.941 -2.633 16.331 1.00 0.01 O ATOM 1343 CB ARG A 88 14.405 0.437 15.047 1.00 0.00 C ATOM 1344 CG ARG A 88 13.748 1.042 13.803 1.00 0.00 C ATOM 1345 CD ARG A 88 14.514 2.296 13.377 1.00 0.00 C ATOM 1346 NE ARG A 88 14.373 3.344 14.428 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.174 4.378 14.431 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.094 4.493 13.513 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.052 5.297 15.350 1.00 0.01 N ATOM 0 H ARG A 88 12.123 0.574 16.049 1.00 0.01 H new ATOM 0 HA ARG A 88 13.507 -1.464 14.605 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.411 1.165 15.858 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.445 0.186 14.836 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.742 0.314 12.992 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.708 1.293 14.014 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.567 2.058 13.224 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.129 2.665 12.426 1.00 0.00 H new ATOM 0 HE ARG A 88 13.652 3.255 15.144 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.188 3.777 12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.719 5.299 13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.332 5.209 16.067 1.00 0.01 H new ATOM 0 HH22 ARG A 88 15.677 6.103 15.351 1.00 0.01 H new ATOM 1363 N GLU A 89 14.494 -0.999 17.728 1.00 0.01 N ATOM 1364 CA GLU A 89 15.227 -1.678 18.829 1.00 0.01 C ATOM 1365 C GLU A 89 14.584 -3.037 19.107 1.00 0.01 C ATOM 1366 O GLU A 89 15.261 -4.017 19.344 1.00 0.00 O ATOM 1367 CB GLU A 89 15.174 -0.804 20.084 1.00 0.01 C ATOM 1368 CG GLU A 89 16.065 0.423 19.884 1.00 0.01 C ATOM 1369 CD GLU A 89 15.985 1.315 21.123 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.142 1.050 21.963 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.769 2.246 21.211 1.00 0.01 O ATOM 0 H GLU A 89 14.077 -0.101 17.973 1.00 0.01 H new ATOM 0 HA GLU A 89 16.267 -1.830 18.542 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.148 -0.494 20.282 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.508 -1.373 20.952 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.096 0.114 19.711 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.746 0.978 19.002 1.00 0.01 H new ATOM 1378 N GLU A 90 13.282 -3.109 19.075 1.00 0.00 N ATOM 1379 CA GLU A 90 12.612 -4.414 19.336 1.00 0.01 C ATOM 1380 C GLU A 90 13.079 -5.423 18.291 1.00 0.01 C ATOM 1381 O GLU A 90 13.327 -6.575 18.592 1.00 0.01 O ATOM 1382 CB GLU A 90 11.093 -4.244 19.240 1.00 0.01 C ATOM 1383 CG GLU A 90 10.399 -5.585 19.517 1.00 0.00 C ATOM 1384 CD GLU A 90 8.885 -5.401 19.434 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.450 -4.264 19.360 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.185 -6.400 19.443 1.00 0.01 O ATOM 0 H GLU A 90 12.657 -2.327 18.881 1.00 0.00 H new ATOM 0 HA GLU A 90 12.868 -4.767 20.335 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.756 -3.495 19.957 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.821 -3.882 18.249 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.726 -6.332 18.794 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.678 -5.954 20.504 1.00 0.00 H new ATOM 1393 N THR A 91 13.200 -5.001 17.063 1.00 0.01 N ATOM 1394 CA THR A 91 13.650 -5.938 16.000 1.00 0.01 C ATOM 1395 C THR A 91 15.059 -6.424 16.342 1.00 0.01 C ATOM 1396 O THR A 91 15.381 -7.580 16.177 1.00 0.01 O ATOM 1397 CB THR A 91 13.661 -5.215 14.644 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.545 -4.339 14.574 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.567 -6.240 13.510 1.00 0.01 C ATOM 0 H THR A 91 13.007 -4.049 16.751 1.00 0.01 H new ATOM 0 HA THR A 91 12.970 -6.788 15.939 1.00 0.01 H new ATOM 0 HB THR A 91 14.587 -4.648 14.544 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.716 -3.547 15.125 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.575 -5.723 12.551 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.417 -6.920 13.563 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.642 -6.808 13.608 1.00 0.01 H new ATOM 1407 N SER A 92 15.895 -5.542 16.826 1.00 0.01 N ATOM 1408 CA SER A 92 17.285 -5.940 17.191 1.00 0.01 C ATOM 1409 C SER A 92 17.234 -7.028 18.270 1.00 0.01 C ATOM 1410 O SER A 92 18.004 -7.967 18.267 1.00 0.00 O ATOM 1411 CB SER A 92 18.040 -4.723 17.728 1.00 0.01 C ATOM 1412 OG SER A 92 17.560 -4.406 19.028 1.00 0.01 O ATOM 0 H SER A 92 15.672 -4.559 16.984 1.00 0.01 H new ATOM 0 HA SER A 92 17.798 -6.324 16.309 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.109 -4.931 17.764 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.903 -3.872 17.060 1.00 0.01 H new ATOM 0 HG SER A 92 16.601 -4.210 18.984 1.00 0.01 H new ATOM 1418 N ARG A 93 16.332 -6.896 19.202 1.00 0.01 N ATOM 1419 CA ARG A 93 16.214 -7.906 20.292 1.00 0.01 C ATOM 1420 C ARG A 93 15.777 -9.257 19.714 1.00 0.01 C ATOM 1421 O ARG A 93 16.232 -10.302 20.132 1.00 0.01 O ATOM 1422 CB ARG A 93 15.171 -7.431 21.302 1.00 0.00 C ATOM 1423 CG ARG A 93 15.713 -6.224 22.070 1.00 0.01 C ATOM 1424 CD ARG A 93 14.637 -5.697 23.022 1.00 0.01 C ATOM 1425 NE ARG A 93 14.219 -6.786 23.947 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.528 -6.504 25.017 1.00 0.01 C ATOM 1427 NH1 ARG A 93 13.215 -5.265 25.289 1.00 0.00 N ATOM 1428 NH2 ARG A 93 13.150 -7.463 25.818 1.00 0.01 N ATOM 0 H ARG A 93 15.666 -6.126 19.256 1.00 0.01 H new ATOM 0 HA ARG A 93 17.182 -8.023 20.779 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.248 -7.163 20.788 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.928 -8.236 21.995 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.603 -6.507 22.632 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.012 -5.441 21.373 1.00 0.01 H new ATOM 0 HD2 ARG A 93 15.022 -4.850 23.590 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.779 -5.337 22.455 1.00 0.01 H new ATOM 0 HE ARG A 93 14.473 -7.753 23.744 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.511 -4.515 24.664 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.675 -5.048 26.126 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.395 -8.430 25.607 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.610 -7.245 26.655 1.00 0.01 H new ATOM 1442 N ASN A 94 14.877 -9.238 18.772 1.00 0.01 N ATOM 1443 CA ASN A 94 14.377 -10.514 18.178 1.00 0.01 C ATOM 1444 C ASN A 94 15.505 -11.267 17.471 1.00 0.01 C ATOM 1445 O ASN A 94 15.419 -12.459 17.250 1.00 0.01 O ATOM 1446 CB ASN A 94 13.275 -10.198 17.164 1.00 0.01 C ATOM 1447 CG ASN A 94 12.014 -9.750 17.902 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.432 -10.512 18.649 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.565 -8.538 17.727 1.00 0.01 N ATOM 0 H ASN A 94 14.463 -8.391 18.384 1.00 0.01 H new ATOM 0 HA ASN A 94 13.988 -11.141 18.980 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.607 -9.415 16.482 1.00 0.01 H new ATOM 0 HB3 ASN A 94 13.061 -11.078 16.558 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.725 -8.229 18.217 1.00 0.01 H new ATOM 0 HD22 ASN A 94 12.054 -7.899 17.100 1.00 0.01 H new ATOM 1456 N MET A 95 16.554 -10.594 17.100 1.00 0.01 N ATOM 1457 CA MET A 95 17.669 -11.290 16.399 1.00 0.01 C ATOM 1458 C MET A 95 18.229 -12.387 17.302 1.00 0.01 C ATOM 1459 O MET A 95 18.597 -13.452 16.847 1.00 0.01 O ATOM 1460 CB MET A 95 18.763 -10.283 16.054 1.00 0.01 C ATOM 1461 CG MET A 95 18.116 -9.063 15.401 1.00 0.01 C ATOM 1462 SD MET A 95 17.137 -9.570 13.966 1.00 0.01 S ATOM 1463 CE MET A 95 18.432 -9.426 12.717 1.00 0.01 C ATOM 0 H MET A 95 16.690 -9.594 17.250 1.00 0.01 H new ATOM 0 HA MET A 95 17.300 -11.740 15.478 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.303 -9.988 16.954 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.491 -10.732 15.378 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.480 -8.550 16.122 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.885 -8.355 15.094 1.00 0.01 H new ATOM 0 HE1 MET A 95 17.979 -9.382 11.727 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.008 -8.518 12.893 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.092 -10.291 12.776 1.00 0.01 H new ATOM 1473 N LEU A 96 18.291 -12.139 18.578 1.00 0.01 N ATOM 1474 CA LEU A 96 18.818 -13.175 19.504 1.00 0.01 C ATOM 1475 C LEU A 96 17.850 -14.359 19.491 1.00 0.01 C ATOM 1476 O LEU A 96 18.234 -15.495 19.689 1.00 0.01 O ATOM 1477 CB LEU A 96 18.914 -12.600 20.918 1.00 0.01 C ATOM 1478 CG LEU A 96 19.733 -11.304 20.895 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.820 -10.743 22.316 1.00 0.01 C ATOM 1480 CD2 LEU A 96 21.149 -11.580 20.358 1.00 0.01 C ATOM 0 H LEU A 96 18.000 -11.266 19.019 1.00 0.01 H new ATOM 0 HA LEU A 96 19.811 -13.496 19.189 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.916 -12.404 21.310 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.381 -13.325 21.585 1.00 0.01 H new ATOM 0 HG LEU A 96 19.246 -10.580 20.241 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.401 -9.821 22.308 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.816 -10.536 22.688 1.00 0.01 H new ATOM 0 HD13 LEU A 96 20.305 -11.472 22.966 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.721 -10.652 20.346 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.647 -12.305 21.001 1.00 0.01 H new ATOM 0 HD23 LEU A 96 21.083 -11.978 19.345 1.00 0.01 H new ATOM 1492 N GLU A 97 16.593 -14.091 19.250 1.00 0.01 N ATOM 1493 CA GLU A 97 15.567 -15.177 19.207 1.00 0.01 C ATOM 1494 C GLU A 97 14.599 -14.884 18.048 1.00 0.01 C ATOM 1495 O GLU A 97 13.521 -14.366 18.261 1.00 0.01 O ATOM 1496 CB GLU A 97 14.777 -15.183 20.520 1.00 0.01 C ATOM 1497 CG GLU A 97 15.680 -15.635 21.669 1.00 0.01 C ATOM 1498 CD GLU A 97 16.020 -17.116 21.504 1.00 0.01 C ATOM 1499 OE1 GLU A 97 15.142 -17.864 21.103 1.00 0.01 O ATOM 1500 OE2 GLU A 97 17.151 -17.479 21.782 1.00 0.01 O ATOM 0 H GLU A 97 16.229 -13.154 19.079 1.00 0.01 H new ATOM 0 HA GLU A 97 16.052 -16.143 19.067 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.386 -14.186 20.724 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.920 -15.851 20.436 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.594 -15.041 21.681 1.00 0.01 H new ATOM 0 HG3 GLU A 97 15.180 -15.471 22.624 1.00 0.01 H new ATOM 1507 N PRO A 98 14.978 -15.193 16.825 1.00 0.01 N ATOM 1508 CA PRO A 98 14.096 -14.917 15.656 1.00 0.01 C ATOM 1509 C PRO A 98 12.750 -15.647 15.760 1.00 0.01 C ATOM 1510 O PRO A 98 12.693 -16.859 15.820 1.00 0.01 O ATOM 1511 CB PRO A 98 14.936 -15.424 14.466 1.00 0.00 C ATOM 1512 CG PRO A 98 16.342 -15.785 14.986 1.00 0.01 C ATOM 1513 CD PRO A 98 16.291 -15.832 16.524 1.00 0.01 C ATOM 0 HA PRO A 98 13.820 -13.866 15.570 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.464 -16.295 14.012 1.00 0.00 H new ATOM 0 HB3 PRO A 98 15.002 -14.658 13.694 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.659 -16.749 14.587 1.00 0.01 H new ATOM 0 HG3 PRO A 98 17.071 -15.047 14.653 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.340 -16.854 16.900 1.00 0.01 H new ATOM 0 HD3 PRO A 98 17.120 -15.286 16.974 1.00 0.01 H new ATOM 1521 N THR A 99 11.670 -14.907 15.784 1.00 0.01 N ATOM 1522 CA THR A 99 10.313 -15.529 15.886 1.00 0.01 C ATOM 1523 C THR A 99 9.394 -14.929 14.822 1.00 0.01 C ATOM 1524 O THR A 99 9.736 -13.969 14.162 1.00 0.01 O ATOM 1525 CB THR A 99 9.731 -15.249 17.272 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.816 -13.858 17.546 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.516 -16.031 18.327 1.00 0.00 C ATOM 0 H THR A 99 11.670 -13.888 15.737 1.00 0.01 H new ATOM 0 HA THR A 99 10.394 -16.605 15.732 1.00 0.01 H new ATOM 0 HB THR A 99 8.687 -15.561 17.298 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.922 -13.508 17.741 1.00 0.01 H new ATOM 0 HG21 THR A 99 10.099 -15.830 19.314 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.447 -17.098 18.115 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.561 -15.723 18.305 1.00 0.00 H new ATOM 1535 N ILE A 100 8.229 -15.493 14.654 1.00 0.00 N ATOM 1536 CA ILE A 100 7.277 -14.968 13.634 1.00 0.01 C ATOM 1537 C ILE A 100 6.700 -13.631 14.112 1.00 0.01 C ATOM 1538 O ILE A 100 6.127 -12.878 13.349 1.00 0.01 O ATOM 1539 CB ILE A 100 6.156 -15.996 13.428 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.247 -15.572 12.261 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.324 -16.112 14.707 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.046 -15.534 10.949 1.00 0.01 C ATOM 0 H ILE A 100 7.894 -16.299 15.182 1.00 0.00 H new ATOM 0 HA ILE A 100 7.791 -14.804 12.687 1.00 0.01 H new ATOM 0 HB ILE A 100 6.605 -16.961 13.193 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.415 -16.269 12.168 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.819 -14.590 12.463 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.529 -16.842 14.559 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.963 -16.434 15.529 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.887 -15.143 14.946 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.390 -15.233 10.132 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.863 -14.819 11.041 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.452 -16.524 10.742 1.00 0.01 H new ATOM 1554 N THR A 101 6.860 -13.323 15.373 1.00 0.00 N ATOM 1555 CA THR A 101 6.332 -12.033 15.909 1.00 0.01 C ATOM 1556 C THR A 101 7.437 -10.972 15.846 1.00 0.01 C ATOM 1557 O THR A 101 7.276 -9.861 16.310 1.00 0.01 O ATOM 1558 CB THR A 101 5.905 -12.225 17.366 1.00 0.01 C ATOM 1559 OG1 THR A 101 7.036 -12.595 18.143 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.844 -13.323 17.450 1.00 0.01 C ATOM 0 H THR A 101 7.335 -13.912 16.057 1.00 0.00 H new ATOM 0 HA THR A 101 5.476 -11.713 15.315 1.00 0.01 H new ATOM 0 HB THR A 101 5.489 -11.293 17.749 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.765 -12.717 19.077 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.541 -13.458 18.488 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.977 -13.038 16.854 1.00 0.01 H new ATOM 0 HG23 THR A 101 5.256 -14.257 17.068 1.00 0.01 H new ATOM 1568 N CYS A 102 8.562 -11.322 15.289 1.00 0.00 N ATOM 1569 CA CYS A 102 9.698 -10.360 15.202 1.00 0.00 C ATOM 1570 C CYS A 102 9.314 -9.122 14.380 1.00 0.01 C ATOM 1571 O CYS A 102 9.377 -8.008 14.863 1.00 0.01 O ATOM 1572 CB CYS A 102 10.891 -11.055 14.544 1.00 0.00 C ATOM 1573 SG CYS A 102 12.195 -9.843 14.222 1.00 0.01 S ATOM 0 H CYS A 102 8.746 -12.241 14.887 1.00 0.00 H new ATOM 0 HA CYS A 102 9.956 -10.035 16.210 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.267 -11.846 15.193 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.581 -11.528 13.612 1.00 0.00 H new ATOM 0 HG CYS A 102 12.077 -9.390 13.009 1.00 0.01 H new ATOM 1579 N PHE A 103 8.944 -9.298 13.134 1.00 0.00 N ATOM 1580 CA PHE A 103 8.589 -8.117 12.279 1.00 0.01 C ATOM 1581 C PHE A 103 7.079 -7.866 12.283 1.00 0.01 C ATOM 1582 O PHE A 103 6.611 -6.908 11.702 1.00 0.00 O ATOM 1583 CB PHE A 103 9.062 -8.369 10.844 1.00 0.00 C ATOM 1584 CG PHE A 103 10.568 -8.289 10.802 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.334 -9.425 11.062 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.199 -7.075 10.502 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.732 -9.355 11.028 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.596 -7.002 10.466 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.362 -8.142 10.730 1.00 0.00 C ATOM 0 H PHE A 103 8.872 -10.204 12.672 1.00 0.00 H new ATOM 0 HA PHE A 103 9.083 -7.235 12.687 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.727 -9.349 10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.627 -7.632 10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.847 -10.362 11.290 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.607 -6.195 10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.323 -10.236 11.231 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.082 -6.066 10.234 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.440 -8.086 10.704 1.00 0.00 H new ATOM 1599 N ASP A 104 6.306 -8.691 12.932 1.00 0.01 N ATOM 1600 CA ASP A 104 4.838 -8.435 12.951 1.00 0.01 C ATOM 1601 C ASP A 104 4.585 -7.081 13.615 1.00 0.00 C ATOM 1602 O ASP A 104 3.751 -6.311 13.183 1.00 0.01 O ATOM 1603 CB ASP A 104 4.115 -9.529 13.738 1.00 0.01 C ATOM 1604 CG ASP A 104 4.135 -10.835 12.941 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.388 -10.772 11.749 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.894 -11.873 13.534 1.00 0.01 O ATOM 0 H ASP A 104 6.619 -9.517 13.442 1.00 0.01 H new ATOM 0 HA ASP A 104 4.459 -8.433 11.929 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.597 -9.674 14.705 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.086 -9.228 13.937 1.00 0.01 H new ATOM 1611 N GLU A 105 5.310 -6.778 14.659 1.00 0.00 N ATOM 1612 CA GLU A 105 5.116 -5.474 15.344 1.00 0.00 C ATOM 1613 C GLU A 105 5.501 -4.355 14.384 1.00 0.00 C ATOM 1614 O GLU A 105 4.860 -3.325 14.323 1.00 0.01 O ATOM 1615 CB GLU A 105 6.004 -5.408 16.592 1.00 0.00 C ATOM 1616 CG GLU A 105 5.722 -4.117 17.369 1.00 0.00 C ATOM 1617 CD GLU A 105 4.289 -4.145 17.902 1.00 0.01 C ATOM 1618 OE1 GLU A 105 3.735 -5.228 17.992 1.00 0.01 O ATOM 1619 OE2 GLU A 105 3.770 -3.085 18.212 1.00 0.00 O ATOM 0 H GLU A 105 6.027 -7.379 15.064 1.00 0.00 H new ATOM 0 HA GLU A 105 4.074 -5.365 15.644 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.816 -6.273 17.228 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.054 -5.446 16.303 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.426 -4.016 18.195 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.864 -3.252 16.721 1.00 0.00 H new ATOM 1626 N ALA A 106 6.551 -4.546 13.634 1.00 0.00 N ATOM 1627 CA ALA A 106 6.976 -3.488 12.684 1.00 0.00 C ATOM 1628 C ALA A 106 5.988 -3.403 11.523 1.00 0.00 C ATOM 1629 O ALA A 106 5.552 -2.334 11.158 1.00 0.00 O ATOM 1630 CB ALA A 106 8.373 -3.808 12.143 1.00 0.00 C ATOM 0 H ALA A 106 7.129 -5.386 13.640 1.00 0.00 H new ATOM 0 HA ALA A 106 7.000 -2.532 13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.681 -3.028 11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.081 -3.855 12.970 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.352 -4.768 11.627 1.00 0.00 H new ATOM 1636 N GLN A 107 5.619 -4.511 10.942 1.00 0.00 N ATOM 1637 CA GLN A 107 4.653 -4.451 9.810 1.00 0.00 C ATOM 1638 C GLN A 107 3.355 -3.815 10.302 1.00 0.00 C ATOM 1639 O GLN A 107 2.743 -3.019 9.620 1.00 0.00 O ATOM 1640 CB GLN A 107 4.376 -5.854 9.272 1.00 0.00 C ATOM 1641 CG GLN A 107 3.412 -5.759 8.085 1.00 0.00 C ATOM 1642 CD GLN A 107 3.426 -7.076 7.310 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.428 -7.761 7.278 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.353 -7.465 6.678 1.00 0.00 N ATOM 0 H GLN A 107 5.940 -5.445 11.198 1.00 0.00 H new ATOM 0 HA GLN A 107 5.076 -3.852 9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.307 -6.328 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.946 -6.478 10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.404 -5.543 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.703 -4.937 7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.510 -6.891 6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.357 -8.343 6.159 1.00 0.00 H new ATOM 1653 N LYS A 108 2.937 -4.149 11.491 1.00 0.00 N ATOM 1654 CA LYS A 108 1.687 -3.549 12.030 1.00 0.00 C ATOM 1655 C LYS A 108 1.873 -2.032 12.089 1.00 0.00 C ATOM 1656 O LYS A 108 0.981 -1.272 11.771 1.00 0.00 O ATOM 1657 CB LYS A 108 1.435 -4.094 13.439 1.00 0.00 C ATOM 1658 CG LYS A 108 0.142 -3.503 14.010 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.089 -4.060 15.417 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.312 -3.385 16.043 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.520 -3.669 15.220 1.00 0.00 N ATOM 0 H LYS A 108 3.406 -4.810 12.111 1.00 0.00 H new ATOM 0 HA LYS A 108 0.837 -3.797 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.365 -5.181 13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.275 -3.847 14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.209 -2.416 14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.701 -3.751 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.240 -5.139 15.372 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.791 -3.887 16.036 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.459 -3.749 17.060 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.151 -2.309 16.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.375 -3.451 15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.502 -3.081 14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.528 -4.674 14.951 1.00 0.00 H new ATOM 1675 N LYS A 109 3.039 -1.588 12.477 1.00 0.01 N ATOM 1676 CA LYS A 109 3.300 -0.123 12.538 1.00 0.00 C ATOM 1677 C LYS A 109 3.230 0.452 11.123 1.00 0.00 C ATOM 1678 O LYS A 109 2.755 1.551 10.913 1.00 0.00 O ATOM 1679 CB LYS A 109 4.694 0.127 13.129 1.00 0.00 C ATOM 1680 CG LYS A 109 4.711 -0.228 14.625 1.00 0.00 C ATOM 1681 CD LYS A 109 4.103 0.911 15.459 1.00 0.01 C ATOM 1682 CE LYS A 109 4.355 0.642 16.944 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.822 0.621 17.200 1.00 0.01 N ATOM 0 H LYS A 109 3.823 -2.179 12.755 1.00 0.01 H new ATOM 0 HA LYS A 109 2.554 0.360 13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.434 -0.471 12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.972 1.172 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.150 -1.148 14.792 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.735 -0.416 14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.545 1.864 15.170 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.032 0.985 15.268 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.880 1.413 17.550 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.910 -0.310 17.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.995 0.608 18.225 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.238 -0.229 16.768 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.259 1.469 16.786 1.00 0.01 H new ATOM 1697 N ILE A 110 3.694 -0.284 10.148 1.00 0.00 N ATOM 1698 CA ILE A 110 3.643 0.225 8.749 1.00 0.00 C ATOM 1699 C ILE A 110 2.178 0.358 8.330 1.00 0.00 C ATOM 1700 O ILE A 110 1.780 1.349 7.752 1.00 0.00 O ATOM 1701 CB ILE A 110 4.373 -0.750 7.814 1.00 0.00 C ATOM 1702 CG1 ILE A 110 5.862 -0.834 8.192 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.244 -0.286 6.362 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.528 0.552 8.158 1.00 0.00 C ATOM 0 H ILE A 110 4.104 -1.211 10.260 1.00 0.00 H new ATOM 0 HA ILE A 110 4.133 1.197 8.687 1.00 0.00 H new ATOM 0 HB ILE A 110 3.918 -1.735 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.962 -1.263 9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.377 -1.504 7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.766 -0.985 5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.191 -0.247 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.684 0.706 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.579 0.457 8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.449 0.969 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.028 1.213 8.866 1.00 0.00 H new ATOM 1716 N PHE A 111 1.359 -0.616 8.637 1.00 0.00 N ATOM 1717 CA PHE A 111 -0.082 -0.500 8.271 1.00 0.00 C ATOM 1718 C PHE A 111 -0.655 0.739 8.974 1.00 0.00 C ATOM 1719 O PHE A 111 -1.288 1.576 8.370 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.843 -1.775 8.720 1.00 0.00 C ATOM 1721 CG PHE A 111 -1.001 -2.731 7.550 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.102 -3.026 6.742 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.251 -3.308 7.267 1.00 0.00 C ATOM 1724 CE1 PHE A 111 -0.039 -3.893 5.651 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.388 -4.176 6.174 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.285 -4.466 5.369 1.00 0.00 C ATOM 0 H PHE A 111 1.623 -1.475 9.119 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.194 -0.399 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.301 -2.265 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.823 -1.503 9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.063 -2.585 6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.104 -3.083 7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.813 -4.119 5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.348 -4.620 5.955 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.393 -5.134 4.527 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.430 0.859 10.251 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.954 2.039 10.995 1.00 0.00 C ATOM 1738 C ASN A 112 -0.285 3.324 10.489 1.00 0.00 C ATOM 1739 O ASN A 112 -0.914 4.355 10.364 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.659 1.862 12.484 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.533 0.741 13.046 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.066 -0.093 13.797 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.793 0.682 12.713 1.00 0.00 N ATOM 0 H ASN A 112 0.095 0.190 10.814 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.030 2.116 10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.395 1.625 12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.854 2.792 13.018 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.384 -0.063 13.083 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.187 1.381 12.083 1.00 0.00 H new ATOM 1750 N LEU A 113 0.990 3.273 10.216 1.00 0.00 N ATOM 1751 CA LEU A 113 1.707 4.492 9.737 1.00 0.00 C ATOM 1752 C LEU A 113 1.182 4.915 8.361 1.00 0.00 C ATOM 1753 O LEU A 113 0.742 6.033 8.169 1.00 0.00 O ATOM 1754 CB LEU A 113 3.204 4.176 9.635 1.00 0.00 C ATOM 1755 CG LEU A 113 3.982 5.382 9.087 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.796 6.595 10.009 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.471 5.016 9.012 1.00 0.00 C ATOM 0 H LEU A 113 1.569 2.438 10.304 1.00 0.00 H new ATOM 0 HA LEU A 113 1.539 5.308 10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.590 3.905 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.355 3.315 8.984 1.00 0.00 H new ATOM 0 HG LEU A 113 3.608 5.637 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.352 7.444 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.738 6.849 10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.166 6.355 11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.035 5.864 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.834 4.764 10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.602 4.160 8.350 1.00 0.00 H new ATOM 1769 N MET A 114 1.244 4.038 7.398 1.00 0.00 N ATOM 1770 CA MET A 114 0.773 4.395 6.030 1.00 0.00 C ATOM 1771 C MET A 114 -0.727 4.705 6.052 1.00 0.00 C ATOM 1772 O MET A 114 -1.186 5.615 5.395 1.00 0.00 O ATOM 1773 CB MET A 114 1.066 3.231 5.071 1.00 0.00 C ATOM 1774 CG MET A 114 0.123 2.049 5.351 1.00 0.00 C ATOM 1775 SD MET A 114 0.956 0.494 4.930 1.00 0.00 S ATOM 1776 CE MET A 114 1.032 0.689 3.131 1.00 0.00 C ATOM 0 H MET A 114 1.601 3.088 7.499 1.00 0.00 H new ATOM 0 HA MET A 114 1.301 5.284 5.685 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.945 3.563 4.040 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.102 2.911 5.184 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.169 2.044 6.401 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.791 2.154 4.767 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.701 -0.232 2.651 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.383 1.510 2.826 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.057 0.906 2.832 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.498 3.966 6.799 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.962 4.241 6.840 1.00 0.00 C ATOM 1788 C GLU A 115 -3.230 5.590 7.511 1.00 0.00 C ATOM 1789 O GLU A 115 -4.086 6.345 7.102 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.676 3.137 7.619 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.657 1.846 6.802 1.00 0.01 C ATOM 1792 CD GLU A 115 -4.193 0.696 7.654 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.579 0.953 8.784 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -4.216 -0.419 7.163 1.00 0.00 O ATOM 0 H GLU A 115 -1.182 3.189 7.379 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.340 4.269 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.186 2.980 8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.704 3.432 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.265 1.962 5.905 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -2.641 1.626 6.473 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.518 5.900 8.550 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.752 7.194 9.245 1.00 0.00 C ATOM 1803 C LYS A 116 -2.273 8.360 8.376 1.00 0.01 C ATOM 1804 O LYS A 116 -2.681 9.488 8.574 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.980 7.204 10.569 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.614 6.219 11.567 1.00 0.00 C ATOM 1807 CD LYS A 116 -3.801 6.867 12.291 1.00 0.00 C ATOM 1808 CE LYS A 116 -4.484 5.818 13.167 1.00 0.00 C ATOM 1809 NZ LYS A 116 -5.153 4.813 12.296 1.00 0.00 N ATOM 0 H LYS A 116 -1.784 5.316 8.950 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.820 7.306 9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.939 6.933 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.981 8.209 10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.947 5.325 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.868 5.901 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.459 7.702 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.508 7.271 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.751 5.330 13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.215 6.293 13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.926 4.357 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.539 5.286 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.462 4.093 12.003 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.388 8.110 7.437 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.853 9.223 6.581 1.00 0.00 C ATOM 1825 C ASP A 117 -1.177 9.003 5.096 1.00 0.00 C ATOM 1826 O ASP A 117 -1.655 9.892 4.425 1.00 0.00 O ATOM 1827 CB ASP A 117 0.667 9.270 6.750 1.00 0.00 C ATOM 1828 CG ASP A 117 1.009 9.730 8.168 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.288 10.563 8.691 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.990 9.243 8.707 1.00 0.00 O ATOM 0 H ASP A 117 -1.013 7.185 7.226 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.320 10.157 6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.095 8.285 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.104 9.951 6.020 1.00 0.00 H new ATOM 1835 N SER A 118 -0.889 7.850 4.564 1.00 0.00 N ATOM 1836 CA SER A 118 -1.153 7.621 3.110 1.00 0.00 C ATOM 1837 C SER A 118 -2.657 7.613 2.805 1.00 0.00 C ATOM 1838 O SER A 118 -3.100 8.251 1.873 1.00 0.01 O ATOM 1839 CB SER A 118 -0.549 6.282 2.693 1.00 0.00 C ATOM 1840 OG SER A 118 -1.422 5.233 3.086 1.00 0.00 O ATOM 0 H SER A 118 -0.485 7.059 5.065 1.00 0.00 H new ATOM 0 HA SER A 118 -0.696 8.437 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.396 6.259 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.429 6.150 3.157 1.00 0.00 H new ATOM 0 HG SER A 118 -1.617 5.311 4.043 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.444 6.892 3.559 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.912 6.840 3.265 1.00 0.00 C ATOM 1848 C TYR A 119 -5.517 8.242 3.307 1.00 0.01 C ATOM 1849 O TYR A 119 -6.235 8.642 2.414 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.615 5.931 4.296 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.027 4.632 3.646 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.094 3.896 2.909 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.341 4.181 3.764 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.478 2.707 2.287 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.725 2.991 3.147 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.794 2.253 2.406 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.179 1.089 1.784 1.00 0.00 O ATOM 0 H TYR A 119 -3.140 6.340 4.361 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.056 6.432 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.946 5.732 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.491 6.438 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.077 4.247 2.821 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.060 4.752 4.332 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.759 2.139 1.715 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.741 2.638 3.241 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.121 1.154 1.523 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.245 8.988 4.331 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.828 10.351 4.407 1.00 0.01 C ATOM 1869 C ARG A 120 -5.349 11.124 3.182 1.00 0.00 C ATOM 1870 O ARG A 120 -6.104 11.821 2.528 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.334 11.040 5.682 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.737 10.209 6.911 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.261 10.026 6.956 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.631 8.820 6.158 1.00 0.01 N ATOM 1875 CZ ARG A 120 -8.834 8.325 6.237 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -9.725 8.898 6.995 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -9.147 7.261 5.550 1.00 0.01 N ATOM 0 H ARG A 120 -4.650 8.719 5.114 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.917 10.310 4.430 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.251 11.155 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.758 12.041 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.248 9.235 6.876 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.397 10.704 7.820 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.596 9.912 7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.758 10.909 6.555 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.940 8.382 5.549 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.481 9.734 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.667 8.511 7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.450 6.817 4.952 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -10.088 6.873 5.611 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.102 10.971 2.846 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.558 11.650 1.646 1.00 0.01 C ATOM 1893 C ARG A 121 -4.145 11.021 0.377 1.00 0.01 C ATOM 1894 O ARG A 121 -4.446 11.706 -0.570 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.038 11.523 1.639 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.457 12.401 2.746 1.00 0.00 C ATOM 1897 CD ARG A 121 0.068 12.280 2.746 1.00 0.00 C ATOM 1898 NE ARG A 121 0.638 13.091 3.871 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.414 14.373 3.972 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.140 15.029 2.990 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.795 15.013 5.042 1.00 0.01 N ATOM 0 H ARG A 121 -3.431 10.398 3.358 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.831 12.705 1.671 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.747 10.484 1.792 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.640 11.826 0.671 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.750 13.440 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.857 12.097 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.360 11.235 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.470 12.627 1.794 1.00 0.00 H new ATOM 0 HE ARG A 121 1.215 12.630 4.574 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.402 14.540 2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.311 16.031 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.266 14.512 5.795 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.622 16.015 5.126 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.295 9.721 0.347 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.844 9.064 -0.881 1.00 0.01 C ATOM 1917 C PHE A 122 -6.242 9.605 -1.184 1.00 0.01 C ATOM 1918 O PHE A 122 -6.544 9.950 -2.300 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.911 7.530 -0.662 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.244 6.802 -1.802 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.854 6.811 -1.895 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.008 6.117 -2.755 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.221 6.137 -2.935 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.371 5.441 -3.803 1.00 0.00 C ATOM 1925 CZ PHE A 122 -2.975 5.452 -3.891 1.00 0.00 C ATOM 0 H PHE A 122 -4.063 9.089 1.113 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.190 9.281 -1.726 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.424 7.270 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.951 7.214 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.267 7.341 -1.160 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.086 6.110 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.143 6.143 -3.003 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -4.956 4.913 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.480 4.931 -4.698 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.093 9.677 -0.212 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.462 10.191 -0.477 1.00 0.00 C ATOM 1937 C LEU A 123 -8.355 11.621 -1.006 1.00 0.01 C ATOM 1938 O LEU A 123 -9.080 12.028 -1.892 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.277 10.181 0.818 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.375 8.750 1.364 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.104 8.776 2.710 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.144 7.851 0.379 1.00 0.01 C ATOM 0 H LEU A 123 -6.906 9.404 0.753 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.959 9.559 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.808 10.830 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.275 10.578 0.633 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.370 8.347 1.492 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.177 7.762 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.550 9.399 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.105 9.185 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.205 6.840 0.781 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.150 8.246 0.236 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.623 7.830 -0.578 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.456 12.390 -0.451 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.286 13.811 -0.885 1.00 0.01 C ATOM 1956 C LYS A 124 -6.096 13.939 -1.850 1.00 0.01 C ATOM 1957 O LYS A 124 -5.660 15.029 -2.159 1.00 0.01 O ATOM 1958 CB LYS A 124 -7.020 14.669 0.353 1.00 0.01 C ATOM 1959 CG LYS A 124 -8.206 14.554 1.317 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.950 15.410 2.561 1.00 0.01 C ATOM 1961 CE LYS A 124 -9.140 15.291 3.520 1.00 0.01 C ATOM 1962 NZ LYS A 124 -9.222 13.896 4.048 1.00 0.01 N ATOM 0 H LYS A 124 -6.825 12.092 0.293 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.190 14.142 -1.396 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -6.104 14.342 0.845 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.872 15.709 0.063 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -9.121 14.880 0.822 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.353 13.513 1.605 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -7.036 15.084 3.057 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.803 16.451 2.275 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.028 15.996 4.344 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -10.064 15.549 3.003 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.812 13.883 4.904 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -9.644 13.276 3.327 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.267 13.556 4.281 1.00 0.01 H new ATOM 1976 N SER A 125 -5.554 12.842 -2.314 1.00 0.00 N ATOM 1977 CA SER A 125 -4.382 12.918 -3.243 1.00 0.01 C ATOM 1978 C SER A 125 -4.830 13.434 -4.614 1.00 0.01 C ATOM 1979 O SER A 125 -5.950 13.227 -5.032 1.00 0.01 O ATOM 1980 CB SER A 125 -3.764 11.524 -3.405 1.00 0.01 C ATOM 1981 OG SER A 125 -2.947 11.234 -2.279 1.00 0.01 O ATOM 0 H SER A 125 -5.870 11.898 -2.091 1.00 0.00 H new ATOM 0 HA SER A 125 -3.644 13.602 -2.825 1.00 0.01 H new ATOM 0 HB2 SER A 125 -4.550 10.775 -3.500 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.171 11.481 -4.319 1.00 0.01 H new ATOM 0 HG SER A 125 -2.011 11.429 -2.495 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.953 14.099 -5.320 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.321 14.624 -6.668 1.00 0.01 C ATOM 1989 C ARG A 126 -4.596 13.449 -7.607 1.00 0.00 C ATOM 1990 O ARG A 126 -5.530 13.464 -8.386 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.151 15.439 -7.220 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.948 16.676 -6.349 1.00 0.01 C ATOM 1993 CD ARG A 126 -1.722 17.457 -6.831 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.553 16.530 -7.026 1.00 0.00 N ATOM 1995 CZ ARG A 126 -0.121 15.740 -6.073 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.564 15.853 -4.852 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.806 14.862 -6.342 1.00 0.01 N ATOM 0 H ARG A 126 -2.999 14.301 -5.022 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.209 15.251 -6.591 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.244 14.834 -7.231 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.351 15.733 -8.250 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.834 17.310 -6.391 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.816 16.381 -5.308 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.952 17.965 -7.768 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.466 18.228 -6.105 1.00 0.01 H new ATOM 0 HE ARG A 126 -0.081 16.516 -7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.258 16.565 -4.625 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -0.216 15.229 -4.124 1.00 0.01 H new ATOM 0 HH21 ARG A 126 1.187 14.795 -7.286 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.150 14.242 -5.608 1.00 0.01 H new ATOM 2011 N PHE A 127 -3.789 12.424 -7.535 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.002 11.242 -8.416 1.00 0.01 C ATOM 2013 C PHE A 127 -5.342 10.605 -8.066 1.00 0.01 C ATOM 2014 O PHE A 127 -6.138 10.282 -8.925 1.00 0.00 O ATOM 2015 CB PHE A 127 -2.885 10.226 -8.173 1.00 0.01 C ATOM 2016 CG PHE A 127 -1.570 10.804 -8.629 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -0.800 11.563 -7.741 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -1.117 10.582 -9.936 1.00 0.01 C ATOM 2019 CE1 PHE A 127 0.421 12.099 -8.155 1.00 0.00 C ATOM 2020 CE2 PHE A 127 0.108 11.120 -10.352 1.00 0.01 C ATOM 2021 CZ PHE A 127 0.876 11.879 -9.461 1.00 0.00 C ATOM 0 H PHE A 127 -2.991 12.355 -6.903 1.00 0.01 H new ATOM 0 HA PHE A 127 -3.996 11.550 -9.462 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -2.835 9.972 -7.114 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.095 9.303 -8.713 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.151 11.735 -6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.711 9.997 -10.622 1.00 0.01 H new ATOM 0 HE1 PHE A 127 1.015 12.683 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.459 10.949 -11.359 1.00 0.01 H new ATOM 0 HZ PHE A 127 1.820 12.295 -9.781 1.00 0.00 H new ATOM 2031 N TYR A 128 -5.594 10.426 -6.800 1.00 0.01 N ATOM 2032 CA TYR A 128 -6.879 9.818 -6.365 1.00 0.01 C ATOM 2033 C TYR A 128 -8.036 10.683 -6.849 1.00 0.01 C ATOM 2034 O TYR A 128 -8.994 10.200 -7.403 1.00 0.00 O ATOM 2035 CB TYR A 128 -6.899 9.738 -4.845 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.174 9.077 -4.374 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.217 7.685 -4.223 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.307 9.847 -4.080 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.391 7.064 -3.782 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.483 9.225 -3.636 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.524 7.833 -3.489 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.683 7.220 -3.055 1.00 0.01 O ATOM 0 H TYR A 128 -4.959 10.677 -6.043 1.00 0.01 H new ATOM 0 HA TYR A 128 -6.978 8.817 -6.785 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.036 9.173 -4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -6.821 10.739 -4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.344 7.091 -4.447 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.275 10.920 -4.195 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.423 5.991 -3.668 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.356 9.819 -3.408 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.372 7.898 -2.896 1.00 0.01 H new ATOM 2052 N LEU A 129 -7.953 11.966 -6.641 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.051 12.862 -7.097 1.00 0.01 C ATOM 2054 C LEU A 129 -9.204 12.732 -8.613 1.00 0.01 C ATOM 2055 O LEU A 129 -10.289 12.529 -9.118 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.717 14.313 -6.728 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.808 14.493 -5.203 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.235 15.863 -4.816 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.274 14.387 -4.728 1.00 0.01 C ATOM 0 H LEU A 129 -7.174 12.433 -6.176 1.00 0.01 H new ATOM 0 HA LEU A 129 -9.985 12.579 -6.612 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.715 14.565 -7.075 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.407 14.994 -7.226 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.231 13.704 -4.721 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.299 15.992 -3.736 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.192 15.922 -5.128 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.806 16.649 -5.310 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.316 14.517 -3.647 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.870 15.162 -5.210 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.672 13.407 -4.991 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.125 12.833 -9.342 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.221 12.697 -10.822 1.00 0.91 C ATOM 2073 C ASP A 130 -8.780 11.316 -11.170 1.00 1.05 C ATOM 2074 O ASP A 130 -9.696 11.188 -11.958 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.834 12.872 -11.449 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.394 14.332 -11.318 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.256 15.177 -11.141 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.202 14.581 -11.394 1.00 3.77 O ATOM 0 H ASP A 130 -7.187 13.003 -8.979 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.887 13.465 -11.215 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.115 12.219 -10.955 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.859 12.582 -12.499 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.242 10.279 -10.583 1.00 1.16 N ATOM 2084 CA LEU A 131 -8.751 8.908 -10.878 1.00 1.68 C ATOM 2085 C LEU A 131 -10.148 8.757 -10.270 1.00 2.00 C ATOM 2086 O LEU A 131 -11.031 8.157 -10.851 1.00 2.21 O ATOM 2087 CB LEU A 131 -7.810 7.856 -10.261 1.00 2.07 C ATOM 2088 CG LEU A 131 -6.421 7.925 -10.913 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -5.445 7.044 -10.124 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -6.486 7.430 -12.369 1.00 3.54 C ATOM 0 H LEU A 131 -7.474 10.322 -9.913 1.00 1.16 H new ATOM 0 HA LEU A 131 -8.794 8.759 -11.957 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -7.723 8.023 -9.187 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.232 6.860 -10.395 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.080 8.960 -10.905 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -4.458 7.091 -10.585 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -5.383 7.400 -9.096 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -5.799 6.013 -10.130 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -5.494 7.485 -12.817 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -6.835 6.398 -12.387 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.175 8.056 -12.936 1.00 3.54 H new ATOM 2102 N THR A 132 -10.345 9.299 -9.096 1.00 2.68 N ATOM 2103 CA THR A 132 -11.665 9.209 -8.404 1.00 3.30 C ATOM 2104 C THR A 132 -12.294 10.594 -8.313 1.00 3.72 C ATOM 2105 O THR A 132 -12.237 11.253 -7.294 1.00 3.94 O ATOM 2106 CB THR A 132 -11.456 8.663 -6.987 1.00 3.80 C ATOM 2107 OG1 THR A 132 -10.950 9.697 -6.155 1.00 4.04 O ATOM 2108 CG2 THR A 132 -10.453 7.507 -7.009 1.00 4.63 C ATOM 0 H THR A 132 -9.631 9.811 -8.578 1.00 2.68 H new ATOM 0 HA THR A 132 -12.322 8.546 -8.967 1.00 3.30 H new ATOM 0 HB THR A 132 -12.411 8.304 -6.602 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.594 9.308 -5.329 1.00 4.04 H new ATOM 0 HG21 THR A 132 -10.313 7.128 -5.997 1.00 4.63 H new ATOM 0 HG22 THR A 132 -10.832 6.708 -7.647 1.00 4.63 H new ATOM 0 HG23 THR A 132 -9.499 7.861 -7.399 1.00 4.63 H new ATOM 2116 N ASN A 133 -12.905 11.045 -9.361 1.00 4.23 N ATOM 2117 CA ASN A 133 -13.541 12.386 -9.310 1.00 4.82 C ATOM 2118 C ASN A 133 -14.853 12.259 -8.515 1.00 5.34 C ATOM 2119 O ASN A 133 -15.482 11.219 -8.534 1.00 5.43 O ATOM 2120 CB ASN A 133 -13.844 12.856 -10.732 1.00 5.42 C ATOM 2121 CG ASN A 133 -12.535 13.199 -11.447 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -12.322 12.798 -12.573 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.645 13.933 -10.836 1.00 6.48 N ATOM 0 H ASN A 133 -12.994 10.550 -10.248 1.00 4.23 H new ATOM 0 HA ASN A 133 -12.878 13.108 -8.832 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.376 12.077 -11.278 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -14.496 13.729 -10.706 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -10.770 14.170 -11.305 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -11.824 14.270 -9.890 1.00 6.48 H new TER 2130 ASN A 133