USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1045 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 94 ASN : amide:sc= -0.126 K(o=-0.73,f=-2.4!) USER MOD Set 1.2: A 102 CYS SG : rot -106:sc= -0.605 USER MOD Set 2.1: A 99 THR OG1 : rot 123:sc= 0.584 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.532 USER MOD Set 3.1: A 57 SER OG : rot 130:sc= 0.0135 USER MOD Set 3.2: A 60 LYS NZ :NH3+ 155:sc= 0.0131 (180deg=-0.0852) USER MOD Set 4.1: A 53 LYS NZ :NH3+ -157:sc= -1.29 (180deg=-2.76) USER MOD Set 4.2: A 107 GLN : amide:sc= -0.879 K(o=-2.2,f=-20!) USER MOD Set 5.1: A 48 SER OG : rot -36:sc= 0.358 USER MOD Set 5.2: A 49 CYS SG : rot 170:sc= -4.93! USER MOD Set 6.1: A 39 SER OG : rot 10:sc= -2.82! USER MOD Set 6.2: A 42 ASN : amide:sc= -2.07! C(o=-12!,f=-8.6!) USER MOD Set 6.3: A 82 ASN : amide:sc= -6.71 X(o=-12,f=-11!) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= -0.128 USER MOD Set 7.2: A 19 ASN : amide:sc= 0.3 K(o=0.17,f=-1.8!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.104 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0134 (180deg=-0.28) USER MOD Single : A 12 LYS NZ :NH3+ 140:sc= -0.071 (180deg=-0.798) USER MOD Single : A 22 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.4) USER MOD Single : A 23 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-18!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.232 (180deg=-1.33!) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0956 (180deg=-0.634) 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 52 TYR OH : rot 3:sc= 0.414 USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 1 (180deg=0.0284) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0537 (180deg=-0.502) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.531 USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= -3.2! (180deg=-5.56!) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0852 (180deg=-0.565) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.019 USER MOD Single : A 70 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 76 GLN : amide:sc= -0.0457 K(o=-0.046,f=-1.6!) 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 87 THR OG1 : rot -140:sc= -0.0737 USER MOD Single : A 91 THR OG1 : rot 71:sc= 0.683 USER MOD Single : A 92 SER OG : rot -80:sc= 0.638 USER MOD Single : A 95 MET CE :methyl -167:sc= -1.02 (180deg=-1.71) USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= -0.141 (180deg=-1.02) USER MOD Single : A 109 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.0336) USER MOD Single : A 112 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.23) USER MOD Single : A 114 MET CE :methyl -159:sc= -1.67 (180deg=-2.51) USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0612) USER MOD Single : A 118 SER OG : rot -46:sc= 1.2 USER MOD Single : A 119 TYR OH : rot -162:sc= -0.993 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -49:sc= 0.387 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -106:sc= 0.257 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.107 1.453 -12.189 1.00 15.43 N ATOM 18 CA SER A 6 -12.591 1.592 -12.134 1.00 14.66 C ATOM 19 C SER A 6 -12.986 2.270 -10.819 1.00 13.40 C ATOM 20 O SER A 6 -12.252 2.241 -9.852 1.00 12.58 O ATOM 21 CB SER A 6 -13.237 0.208 -12.216 1.00 15.49 C ATOM 22 OG SER A 6 -12.996 -0.499 -11.006 1.00 15.97 O ATOM 0 HA SER A 6 -12.934 2.198 -12.972 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.309 0.305 -12.386 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.829 -0.346 -13.061 1.00 15.49 H new ATOM 0 HG SER A 6 -13.411 -1.385 -11.057 1.00 15.97 H new ATOM 28 N GLN A 7 -14.137 2.881 -10.771 1.00 13.37 N ATOM 29 CA GLN A 7 -14.563 3.555 -9.511 1.00 12.23 C ATOM 30 C GLN A 7 -14.876 2.491 -8.459 1.00 11.36 C ATOM 31 O GLN A 7 -14.885 2.748 -7.279 1.00 10.97 O ATOM 32 CB GLN A 7 -15.812 4.402 -9.760 1.00 13.19 C ATOM 33 CG GLN A 7 -15.461 5.594 -10.654 1.00 13.36 C ATOM 34 CD GLN A 7 -16.721 6.426 -10.900 1.00 13.61 C ATOM 35 OE1 GLN A 7 -17.824 5.944 -10.731 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.601 7.661 -11.298 1.00 13.77 N ATOM 0 H GLN A 7 -14.799 2.943 -11.545 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.760 4.204 -9.162 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.585 3.796 -10.233 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.219 4.754 -8.812 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.693 6.206 -10.180 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.050 5.245 -11.601 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.675 8.064 -11.439 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.434 8.225 -11.468 1.00 13.77 H new ATOM 45 N GLU A 8 -15.149 1.294 -8.869 1.00 13.01 N ATOM 46 CA GLU A 8 -15.457 0.241 -7.872 1.00 12.24 C ATOM 47 C GLU A 8 -14.193 -0.070 -7.068 1.00 11.73 C ATOM 48 O GLU A 8 -14.240 -0.350 -5.886 1.00 11.71 O ATOM 49 CB GLU A 8 -15.922 -1.028 -8.592 1.00 13.27 C ATOM 50 CG GLU A 8 -17.258 -0.769 -9.296 1.00 13.55 C ATOM 51 CD GLU A 8 -18.335 -0.432 -8.263 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.246 -0.941 -7.160 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.227 0.332 -8.594 1.00 14.92 O ATOM 0 H GLU A 8 -15.173 0.997 -9.845 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.246 0.589 -7.205 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.172 -1.339 -9.319 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.030 -1.843 -7.877 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.152 0.052 -10.005 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.554 -1.648 -9.869 1.00 13.55 H new ATOM 60 N GLU A 9 -13.067 -0.054 -7.718 1.00 11.46 N ATOM 61 CA GLU A 9 -11.795 -0.382 -7.024 1.00 11.12 C ATOM 62 C GLU A 9 -11.370 0.746 -6.066 1.00 10.28 C ATOM 63 O GLU A 9 -10.916 0.485 -4.969 1.00 10.32 O ATOM 64 CB GLU A 9 -10.714 -0.593 -8.082 1.00 12.40 C ATOM 65 CG GLU A 9 -11.023 -1.870 -8.865 1.00 13.24 C ATOM 66 CD GLU A 9 -10.099 -1.965 -10.081 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.290 -1.070 -10.255 1.00 14.68 O ATOM 68 OE2 GLU A 9 -10.220 -2.927 -10.822 1.00 14.26 O ATOM 0 H GLU A 9 -12.972 0.174 -8.708 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.936 -1.284 -6.429 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.676 0.262 -8.757 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.735 -0.669 -7.609 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.889 -2.742 -8.225 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.064 -1.868 -9.187 1.00 13.24 H new ATOM 75 N VAL A 10 -11.499 1.993 -6.455 1.00 9.75 N ATOM 76 CA VAL A 10 -11.080 3.091 -5.524 1.00 9.10 C ATOM 77 C VAL A 10 -11.943 3.039 -4.264 1.00 7.91 C ATOM 78 O VAL A 10 -11.479 3.298 -3.171 1.00 7.70 O ATOM 79 CB VAL A 10 -11.212 4.468 -6.198 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.615 4.410 -7.603 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.681 4.878 -6.296 1.00 11.17 C ATOM 0 H VAL A 10 -11.868 2.295 -7.357 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.032 2.946 -5.260 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.677 5.202 -5.595 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.709 5.386 -8.079 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.562 4.137 -7.540 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.148 3.665 -8.194 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.755 5.854 -6.775 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.226 4.141 -6.887 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.111 4.931 -5.296 1.00 11.17 H new ATOM 91 N LYS A 11 -13.197 2.703 -4.405 1.00 7.38 N ATOM 92 CA LYS A 11 -14.075 2.633 -3.207 1.00 6.32 C ATOM 93 C LYS A 11 -13.503 1.616 -2.229 1.00 5.68 C ATOM 94 O LYS A 11 -13.497 1.830 -1.036 1.00 5.93 O ATOM 95 CB LYS A 11 -15.490 2.215 -3.613 1.00 8.26 C ATOM 96 CG LYS A 11 -16.166 3.361 -4.364 1.00 8.64 C ATOM 97 CD LYS A 11 -17.579 2.941 -4.768 1.00 9.23 C ATOM 98 CE LYS A 11 -18.262 4.087 -5.512 1.00 9.91 C ATOM 99 NZ LYS A 11 -18.565 5.179 -4.546 1.00 10.51 N ATOM 0 H LYS A 11 -13.647 2.476 -5.292 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.121 3.615 -2.736 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.451 1.326 -4.243 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.071 1.953 -2.729 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.205 4.250 -3.734 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.586 3.623 -5.249 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.539 2.055 -5.402 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.157 2.673 -3.883 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.616 4.457 -6.308 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -19.180 3.736 -5.983 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -19.269 5.823 -4.960 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -18.943 4.770 -3.668 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.694 5.707 -4.335 1.00 10.51 H new ATOM 113 N LYS A 12 -13.005 0.519 -2.717 1.00 5.08 N ATOM 114 CA LYS A 12 -12.425 -0.489 -1.794 1.00 4.72 C ATOM 115 C LYS A 12 -11.231 0.138 -1.084 1.00 4.34 C ATOM 116 O LYS A 12 -11.015 -0.059 0.094 1.00 4.65 O ATOM 117 CB LYS A 12 -11.959 -1.707 -2.585 1.00 6.91 C ATOM 118 CG LYS A 12 -13.169 -2.404 -3.206 1.00 7.86 C ATOM 119 CD LYS A 12 -12.699 -3.624 -4.001 1.00 8.86 C ATOM 120 CE LYS A 12 -13.903 -4.324 -4.629 1.00 9.89 C ATOM 121 NZ LYS A 12 -14.642 -3.356 -5.487 1.00 10.82 N ATOM 0 H LYS A 12 -12.974 0.277 -3.708 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.176 -0.803 -1.069 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.261 -1.402 -3.365 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.425 -2.396 -1.931 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.866 -2.711 -2.426 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.704 -1.715 -3.859 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -11.999 -3.316 -4.778 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.166 -4.313 -3.346 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -13.574 -5.177 -5.223 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.559 -4.713 -3.850 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.957 -3.832 -6.356 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -15.470 -2.996 -4.971 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -14.016 -2.563 -5.734 1.00 10.82 H new ATOM 135 N TRP A 13 -10.452 0.904 -1.796 1.00 4.15 N ATOM 136 CA TRP A 13 -9.280 1.556 -1.161 1.00 3.58 C ATOM 137 C TRP A 13 -9.792 2.449 -0.037 1.00 2.38 C ATOM 138 O TRP A 13 -9.128 2.679 0.946 1.00 2.83 O ATOM 139 CB TRP A 13 -8.543 2.414 -2.190 1.00 4.70 C ATOM 140 CG TRP A 13 -8.171 1.598 -3.390 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.292 0.253 -3.507 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.609 2.072 -4.646 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.842 -0.125 -4.760 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.408 0.963 -5.499 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.257 3.349 -5.119 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.874 1.118 -6.781 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.722 3.510 -6.404 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.529 2.398 -7.234 1.00 6.26 C ATOM 0 H TRP A 13 -10.578 1.105 -2.788 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.594 0.802 -0.774 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.174 3.249 -2.493 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.646 2.839 -1.741 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.676 -0.413 -2.748 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.831 -1.087 -5.098 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.400 4.213 -4.487 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.728 0.258 -7.418 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.457 4.496 -6.756 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.114 2.527 -8.223 1.00 6.26 H new ATOM 159 N ALA A 14 -10.981 2.954 -0.174 1.00 0.01 N ATOM 160 CA ALA A 14 -11.538 3.823 0.893 1.00 0.01 C ATOM 161 C ALA A 14 -12.089 2.932 2.013 1.00 0.01 C ATOM 162 O ALA A 14 -12.466 3.406 3.067 1.00 0.01 O ATOM 163 CB ALA A 14 -12.660 4.682 0.304 1.00 0.00 C ATOM 0 H ALA A 14 -11.591 2.803 -0.977 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.764 4.476 1.296 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.074 5.323 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.261 5.300 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.445 4.036 -0.089 1.00 0.00 H new ATOM 169 N GLU A 15 -12.141 1.636 1.791 1.00 0.01 N ATOM 170 CA GLU A 15 -12.670 0.712 2.843 1.00 0.01 C ATOM 171 C GLU A 15 -11.527 0.195 3.725 1.00 0.01 C ATOM 172 O GLU A 15 -11.716 -0.072 4.895 1.00 0.01 O ATOM 173 CB GLU A 15 -13.365 -0.490 2.193 1.00 0.01 C ATOM 174 CG GLU A 15 -14.670 -0.045 1.529 1.00 0.01 C ATOM 175 CD GLU A 15 -15.347 -1.260 0.889 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.736 -2.316 0.880 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.467 -1.117 0.426 1.00 0.01 O ATOM 0 H GLU A 15 -11.840 1.182 0.928 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.383 1.268 3.452 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.707 -0.944 1.452 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.571 -1.251 2.945 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.332 0.409 2.267 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.468 0.714 0.773 1.00 0.01 H new ATOM 184 N SER A 16 -10.343 0.040 3.184 1.00 0.01 N ATOM 185 CA SER A 16 -9.220 -0.474 4.026 1.00 0.01 C ATOM 186 C SER A 16 -7.881 -0.410 3.276 1.00 0.00 C ATOM 187 O SER A 16 -7.812 -0.532 2.069 1.00 0.00 O ATOM 188 CB SER A 16 -9.500 -1.930 4.403 1.00 0.01 C ATOM 189 OG SER A 16 -9.729 -2.686 3.220 1.00 0.01 O ATOM 0 H SER A 16 -10.108 0.243 2.212 1.00 0.01 H new ATOM 0 HA SER A 16 -9.151 0.152 4.916 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.656 -2.344 4.955 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.369 -1.987 5.059 1.00 0.01 H new ATOM 0 HG SER A 16 -9.908 -3.620 3.458 1.00 0.01 H new ATOM 195 N LEU A 17 -6.813 -0.241 4.014 1.00 0.00 N ATOM 196 CA LEU A 17 -5.449 -0.187 3.420 1.00 0.00 C ATOM 197 C LEU A 17 -5.148 -1.501 2.700 1.00 0.01 C ATOM 198 O LEU A 17 -4.545 -1.519 1.644 1.00 0.00 O ATOM 199 CB LEU A 17 -4.438 0.050 4.547 1.00 0.01 C ATOM 200 CG LEU A 17 -2.999 -0.028 4.027 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.782 0.998 2.908 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.041 0.275 5.181 1.00 0.00 C ATOM 0 H LEU A 17 -6.834 -0.136 5.028 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.384 0.624 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.613 1.028 4.996 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.584 -0.692 5.332 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.812 -1.026 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.755 0.932 2.548 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.469 0.792 2.087 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.967 2.001 3.293 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.013 0.223 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.241 1.275 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.186 -0.456 5.976 1.00 0.00 H new ATOM 214 N GLU A 18 -5.548 -2.598 3.268 1.00 0.01 N ATOM 215 CA GLU A 18 -5.272 -3.912 2.628 1.00 0.00 C ATOM 216 C GLU A 18 -5.808 -3.904 1.194 1.00 0.00 C ATOM 217 O GLU A 18 -5.177 -4.411 0.289 1.00 0.01 O ATOM 218 CB GLU A 18 -5.966 -5.012 3.433 1.00 0.01 C ATOM 219 CG GLU A 18 -5.300 -5.121 4.804 1.00 0.01 C ATOM 220 CD GLU A 18 -5.980 -6.217 5.626 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.989 -6.730 5.173 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.475 -6.529 6.691 1.00 0.01 O ATOM 0 H GLU A 18 -6.056 -2.644 4.151 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.198 -4.096 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.026 -4.784 3.546 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.899 -5.964 2.905 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.240 -5.347 4.686 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.367 -4.167 5.327 1.00 0.01 H new ATOM 229 N ASN A 19 -6.961 -3.331 0.971 1.00 0.01 N ATOM 230 CA ASN A 19 -7.515 -3.298 -0.415 1.00 0.00 C ATOM 231 C ASN A 19 -6.561 -2.549 -1.349 1.00 0.00 C ATOM 232 O ASN A 19 -6.226 -3.024 -2.413 1.00 0.01 O ATOM 233 CB ASN A 19 -8.869 -2.583 -0.415 1.00 0.01 C ATOM 234 CG ASN A 19 -9.927 -3.476 0.230 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.763 -4.678 0.303 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.017 -2.937 0.701 1.00 0.01 N ATOM 0 H ASN A 19 -7.540 -2.887 1.683 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.636 -4.323 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.793 -1.642 0.130 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.161 -2.338 -1.436 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.732 -3.524 1.131 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.155 -1.928 0.640 1.00 0.01 H new ATOM 243 N LEU A 20 -6.130 -1.379 -0.966 1.00 0.00 N ATOM 244 CA LEU A 20 -5.211 -0.600 -1.847 1.00 0.01 C ATOM 245 C LEU A 20 -3.922 -1.397 -2.065 1.00 0.01 C ATOM 246 O LEU A 20 -3.373 -1.426 -3.149 1.00 0.00 O ATOM 247 CB LEU A 20 -4.890 0.745 -1.174 1.00 0.00 C ATOM 248 CG LEU A 20 -3.952 1.599 -2.051 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.694 2.097 -3.294 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.487 2.813 -1.244 1.00 0.01 C ATOM 0 H LEU A 20 -6.373 -0.928 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.685 -0.417 -2.812 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.815 1.291 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.424 0.567 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.101 0.990 -2.357 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.020 2.698 -3.904 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.045 1.244 -3.875 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.547 2.704 -2.990 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.823 3.424 -1.856 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.352 3.405 -0.946 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.954 2.476 -0.355 1.00 0.01 H new ATOM 262 N ILE A 21 -3.428 -2.037 -1.041 1.00 0.01 N ATOM 263 CA ILE A 21 -2.172 -2.824 -1.185 1.00 0.00 C ATOM 264 C ILE A 21 -2.465 -4.174 -1.846 1.00 0.00 C ATOM 265 O ILE A 21 -1.623 -4.740 -2.512 1.00 0.00 O ATOM 266 CB ILE A 21 -1.546 -3.050 0.195 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.174 -1.694 0.804 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.289 -3.919 0.056 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.656 -1.892 2.230 1.00 0.01 C ATOM 0 H ILE A 21 -3.842 -2.048 -0.109 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.476 -2.268 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.259 -3.559 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.412 -1.208 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.044 -1.037 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.154 -4.078 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.558 -4.881 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.431 -3.416 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.393 -0.925 2.659 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.431 -2.359 2.837 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.226 -2.533 2.211 1.00 0.01 H new ATOM 281 N ASN A 22 -3.639 -4.710 -1.648 1.00 0.00 N ATOM 282 CA ASN A 22 -3.964 -6.040 -2.247 1.00 0.01 C ATOM 283 C ASN A 22 -4.577 -5.871 -3.644 1.00 0.01 C ATOM 284 O ASN A 22 -4.914 -6.839 -4.297 1.00 0.01 O ATOM 285 CB ASN A 22 -4.947 -6.772 -1.337 1.00 0.01 C ATOM 286 CG ASN A 22 -4.267 -7.073 0.001 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.882 -6.971 1.043 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.013 -7.440 0.015 1.00 0.01 N ATOM 0 H ASN A 22 -4.387 -4.287 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.046 -6.619 -2.344 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.836 -6.162 -1.177 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.276 -7.698 -1.808 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.550 -7.641 0.902 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.497 -7.526 -0.861 1.00 0.01 H new ATOM 295 N HIS A 23 -4.717 -4.658 -4.118 1.00 0.01 N ATOM 296 CA HIS A 23 -5.299 -4.449 -5.484 1.00 0.01 C ATOM 297 C HIS A 23 -4.153 -4.387 -6.502 1.00 0.01 C ATOM 298 O HIS A 23 -3.121 -3.796 -6.251 1.00 0.01 O ATOM 299 CB HIS A 23 -6.088 -3.136 -5.522 1.00 0.00 C ATOM 300 CG HIS A 23 -6.899 -3.075 -6.783 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.402 -2.521 -7.953 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.171 -3.497 -7.078 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.363 -2.626 -8.889 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.462 -3.214 -8.407 1.00 0.01 N ATOM 0 H HIS A 23 -4.455 -3.806 -3.622 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.972 -5.272 -5.726 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.742 -3.067 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.405 -2.288 -5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.844 -3.976 -6.383 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.259 -2.278 -9.906 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.328 -3.412 -8.907 1.00 0.01 H new ATOM 312 N GLU A 24 -4.316 -5.015 -7.639 1.00 0.01 N ATOM 313 CA GLU A 24 -3.227 -5.013 -8.663 1.00 0.01 C ATOM 314 C GLU A 24 -2.898 -3.584 -9.098 1.00 0.01 C ATOM 315 O GLU A 24 -1.748 -3.232 -9.275 1.00 0.01 O ATOM 316 CB GLU A 24 -3.677 -5.804 -9.893 1.00 0.01 C ATOM 317 CG GLU A 24 -2.510 -5.936 -10.874 1.00 0.01 C ATOM 318 CD GLU A 24 -2.963 -6.715 -12.110 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.118 -6.579 -12.479 1.00 0.01 O ATOM 320 OE2 GLU A 24 -2.147 -7.429 -12.668 1.00 0.00 O ATOM 0 H GLU A 24 -5.156 -5.529 -7.903 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.341 -5.469 -8.221 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.028 -6.792 -9.594 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.515 -5.301 -10.375 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.153 -4.948 -11.165 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.675 -6.448 -10.395 1.00 0.01 H new ATOM 327 N CYS A 25 -3.890 -2.757 -9.285 1.00 0.01 N ATOM 328 CA CYS A 25 -3.609 -1.361 -9.726 1.00 0.01 C ATOM 329 C CYS A 25 -3.304 -0.508 -8.502 1.00 0.01 C ATOM 330 O CYS A 25 -2.537 0.431 -8.568 1.00 0.00 O ATOM 331 CB CYS A 25 -4.819 -0.800 -10.478 1.00 0.01 C ATOM 332 SG CYS A 25 -4.282 0.593 -11.502 1.00 0.00 S ATOM 0 H CYS A 25 -4.875 -2.985 -9.153 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.750 -1.350 -10.397 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.267 -1.574 -11.101 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.584 -0.476 -9.772 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.302 1.076 -12.147 1.00 0.00 H new ATOM 338 N GLY A 26 -3.860 -0.843 -7.372 1.00 0.01 N ATOM 339 CA GLY A 26 -3.540 -0.056 -6.155 1.00 0.01 C ATOM 340 C GLY A 26 -2.040 -0.171 -5.941 1.00 0.01 C ATOM 341 O GLY A 26 -1.354 0.798 -5.708 1.00 0.01 O ATOM 0 H GLY A 26 -4.512 -1.616 -7.241 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.834 0.986 -6.280 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.084 -0.440 -5.292 1.00 0.01 H new ATOM 345 N LEU A 27 -1.522 -1.364 -6.059 1.00 0.01 N ATOM 346 CA LEU A 27 -0.060 -1.554 -5.909 1.00 0.00 C ATOM 347 C LEU A 27 0.645 -0.718 -6.978 1.00 0.00 C ATOM 348 O LEU A 27 1.587 -0.004 -6.700 1.00 0.00 O ATOM 349 CB LEU A 27 0.285 -3.040 -6.094 1.00 0.00 C ATOM 350 CG LEU A 27 -0.187 -3.850 -4.873 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.131 -5.345 -5.210 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.721 -3.568 -3.657 1.00 0.01 C ATOM 0 H LEU A 27 -2.053 -2.213 -6.253 1.00 0.01 H new ATOM 0 HA LEU A 27 0.264 -1.239 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.189 -3.421 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.361 -3.158 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.208 -3.558 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.464 -5.925 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.782 -5.551 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.893 -5.623 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.374 -4.148 -2.802 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.746 -3.850 -3.895 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.684 -2.506 -3.414 1.00 0.01 H new ATOM 364 N ALA A 28 0.186 -0.790 -8.199 1.00 0.00 N ATOM 365 CA ALA A 28 0.825 0.011 -9.279 1.00 0.00 C ATOM 366 C ALA A 28 0.678 1.502 -8.969 1.00 0.01 C ATOM 367 O ALA A 28 1.632 2.252 -9.009 1.00 0.00 O ATOM 368 CB ALA A 28 0.147 -0.296 -10.617 1.00 0.00 C ATOM 0 H ALA A 28 -0.602 -1.368 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 28 1.882 -0.247 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.616 0.292 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.252 -1.357 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.911 -0.041 -10.556 1.00 0.00 H new ATOM 374 N ALA A 29 -0.513 1.934 -8.665 1.00 0.00 N ATOM 375 CA ALA A 29 -0.732 3.376 -8.357 1.00 0.01 C ATOM 376 C ALA A 29 -0.088 3.730 -7.014 1.00 0.00 C ATOM 377 O ALA A 29 0.581 4.735 -6.879 1.00 0.00 O ATOM 378 CB ALA A 29 -2.237 3.651 -8.292 1.00 0.01 C ATOM 0 H ALA A 29 -1.348 1.350 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.277 3.985 -9.138 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.405 4.704 -8.067 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.693 3.408 -9.252 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.686 3.037 -7.511 1.00 0.01 H new ATOM 384 N PHE A 30 -0.296 2.914 -6.018 1.00 0.00 N ATOM 385 CA PHE A 30 0.289 3.199 -4.677 1.00 0.00 C ATOM 386 C PHE A 30 1.813 3.235 -4.771 1.00 0.00 C ATOM 387 O PHE A 30 2.452 4.130 -4.257 1.00 0.00 O ATOM 388 CB PHE A 30 -0.149 2.122 -3.677 1.00 0.00 C ATOM 389 CG PHE A 30 0.352 2.471 -2.292 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.065 3.661 -1.674 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.229 1.609 -1.620 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.394 3.985 -0.398 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.686 1.935 -0.339 1.00 0.00 C ATOM 394 CZ PHE A 30 1.267 3.127 0.271 1.00 0.00 C ATOM 0 H PHE A 30 -0.848 2.058 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.068 4.170 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.236 2.040 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.242 1.151 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.743 4.327 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.552 0.693 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.073 4.902 0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.361 1.270 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.621 3.381 1.259 1.00 0.00 H new ATOM 404 N LYS A 31 2.403 2.278 -5.427 1.00 0.00 N ATOM 405 CA LYS A 31 3.885 2.278 -5.546 1.00 0.00 C ATOM 406 C LYS A 31 4.313 3.567 -6.240 1.00 0.00 C ATOM 407 O LYS A 31 5.287 4.191 -5.864 1.00 0.00 O ATOM 408 CB LYS A 31 4.334 1.064 -6.360 1.00 0.00 C ATOM 409 CG LYS A 31 4.200 -0.194 -5.495 1.00 0.00 C ATOM 410 CD LYS A 31 4.398 -1.452 -6.352 1.00 0.00 C ATOM 411 CE LYS A 31 5.880 -1.634 -6.703 1.00 0.01 C ATOM 412 NZ LYS A 31 6.709 -1.554 -5.465 1.00 0.00 N ATOM 0 H LYS A 31 1.927 1.500 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 31 4.345 2.222 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.726 0.969 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.367 1.189 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.937 -0.172 -4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.217 -0.217 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.036 -2.327 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.809 -1.374 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.031 -2.597 -7.191 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.192 -0.866 -7.410 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 7.619 -2.031 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.878 -0.556 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.208 -2.019 -4.681 1.00 0.00 H new ATOM 426 N ALA A 32 3.577 3.989 -7.231 1.00 0.00 N ATOM 427 CA ALA A 32 3.929 5.256 -7.923 1.00 0.00 C ATOM 428 C ALA A 32 3.672 6.410 -6.951 1.00 0.01 C ATOM 429 O ALA A 32 4.459 7.327 -6.828 1.00 0.00 O ATOM 430 CB ALA A 32 3.048 5.421 -9.165 1.00 0.00 C ATOM 0 H ALA A 32 2.750 3.511 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 32 4.974 5.246 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.306 6.350 -9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.210 4.581 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.000 5.449 -8.867 1.00 0.00 H new ATOM 436 N PHE A 33 2.574 6.355 -6.248 1.00 0.00 N ATOM 437 CA PHE A 33 2.253 7.424 -5.263 1.00 0.00 C ATOM 438 C PHE A 33 3.338 7.456 -4.183 1.00 0.00 C ATOM 439 O PHE A 33 3.746 8.503 -3.727 1.00 0.00 O ATOM 440 CB PHE A 33 0.889 7.148 -4.626 1.00 0.00 C ATOM 441 CG PHE A 33 0.445 8.358 -3.839 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.090 9.533 -4.512 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.382 8.306 -2.442 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.330 10.654 -3.788 1.00 0.01 C ATOM 445 CE2 PHE A 33 -0.038 9.428 -1.720 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.393 10.602 -2.393 1.00 0.00 C ATOM 0 H PHE A 33 1.881 5.609 -6.315 1.00 0.00 H new ATOM 0 HA PHE A 33 2.217 8.389 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.156 6.915 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.951 6.278 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.140 9.574 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.657 7.400 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.606 11.560 -4.307 1.00 0.01 H new ATOM 0 HE2 PHE A 33 -0.088 9.388 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.716 11.468 -1.834 1.00 0.00 H new ATOM 456 N LEU A 34 3.812 6.311 -3.773 1.00 0.00 N ATOM 457 CA LEU A 34 4.873 6.278 -2.724 1.00 0.00 C ATOM 458 C LEU A 34 6.100 7.031 -3.226 1.00 0.00 C ATOM 459 O LEU A 34 6.740 7.753 -2.487 1.00 0.00 O ATOM 460 CB LEU A 34 5.265 4.829 -2.426 1.00 0.00 C ATOM 461 CG LEU A 34 4.182 4.151 -1.570 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.470 2.633 -1.475 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.144 4.785 -0.154 1.00 0.00 C ATOM 0 H LEU A 34 3.512 5.399 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 34 4.493 6.745 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.397 4.281 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.221 4.803 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 34 3.209 4.298 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.702 2.154 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.466 2.199 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.446 2.476 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.373 4.297 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.113 4.656 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.919 5.848 -0.237 1.00 0.00 H new ATOM 475 N LYS A 35 6.431 6.878 -4.474 1.00 0.00 N ATOM 476 CA LYS A 35 7.611 7.597 -5.011 1.00 0.00 C ATOM 477 C LYS A 35 7.374 9.089 -4.813 1.00 0.01 C ATOM 478 O LYS A 35 8.271 9.836 -4.473 1.00 0.00 O ATOM 479 CB LYS A 35 7.773 7.273 -6.498 1.00 0.00 C ATOM 480 CG LYS A 35 8.160 5.799 -6.643 1.00 0.00 C ATOM 481 CD LYS A 35 8.326 5.446 -8.121 1.00 0.00 C ATOM 482 CE LYS A 35 8.703 3.969 -8.239 1.00 0.00 C ATOM 483 NZ LYS A 35 10.027 3.748 -7.592 1.00 0.01 N ATOM 0 H LYS A 35 5.936 6.288 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 35 8.522 7.293 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.844 7.473 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.539 7.910 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.089 5.604 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.394 5.167 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.400 5.643 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.098 6.069 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.944 3.348 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.744 3.674 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.452 2.873 -7.960 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.654 4.551 -7.801 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 9.901 3.665 -6.563 1.00 0.01 H new ATOM 497 N SER A 36 6.159 9.524 -4.993 1.00 0.00 N ATOM 498 CA SER A 36 5.847 10.959 -4.781 1.00 0.00 C ATOM 499 C SER A 36 6.006 11.279 -3.291 1.00 0.00 C ATOM 500 O SER A 36 6.247 12.407 -2.910 1.00 0.00 O ATOM 501 CB SER A 36 4.412 11.242 -5.224 1.00 0.00 C ATOM 502 OG SER A 36 4.284 10.955 -6.610 1.00 0.00 O ATOM 0 H SER A 36 5.369 8.945 -5.278 1.00 0.00 H new ATOM 0 HA SER A 36 6.525 11.581 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.715 10.633 -4.649 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.159 12.285 -5.032 1.00 0.00 H new ATOM 0 HG SER A 36 3.364 11.134 -6.897 1.00 0.00 H new ATOM 508 N GLU A 37 5.879 10.284 -2.441 1.00 0.00 N ATOM 509 CA GLU A 37 6.028 10.514 -0.967 1.00 0.00 C ATOM 510 C GLU A 37 7.407 10.028 -0.521 1.00 0.00 C ATOM 511 O GLU A 37 7.754 10.097 0.639 1.00 0.00 O ATOM 512 CB GLU A 37 4.965 9.712 -0.211 1.00 0.00 C ATOM 513 CG GLU A 37 3.571 10.244 -0.542 1.00 0.00 C ATOM 514 CD GLU A 37 2.523 9.403 0.190 1.00 0.01 C ATOM 515 OE1 GLU A 37 2.101 8.404 -0.367 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.164 9.771 1.297 1.00 0.00 O ATOM 0 H GLU A 37 5.678 9.320 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 37 5.912 11.577 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.034 8.658 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.143 9.779 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.488 11.289 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.400 10.204 -1.618 1.00 0.00 H new ATOM 523 N TYR A 38 8.190 9.533 -1.443 1.00 0.00 N ATOM 524 CA TYR A 38 9.553 9.035 -1.101 1.00 0.00 C ATOM 525 C TYR A 38 9.453 7.963 -0.014 1.00 0.00 C ATOM 526 O TYR A 38 10.419 7.642 0.649 1.00 0.00 O ATOM 527 CB TYR A 38 10.408 10.200 -0.609 1.00 0.00 C ATOM 528 CG TYR A 38 10.432 11.264 -1.675 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.352 11.182 -2.725 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.523 12.328 -1.622 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.367 12.164 -3.722 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.535 13.310 -2.620 1.00 0.00 C ATOM 533 CZ TYR A 38 10.458 13.229 -3.669 1.00 0.01 C ATOM 534 OH TYR A 38 10.468 14.195 -4.653 1.00 0.00 O ATOM 0 H TYR A 38 7.940 9.452 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 38 10.015 8.598 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.000 10.603 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.421 9.860 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.051 10.360 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.812 12.391 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.079 12.101 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.833 14.129 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 38 9.773 14.860 -4.465 1.00 0.00 H new ATOM 544 N SER A 39 8.290 7.395 0.159 1.00 0.00 N ATOM 545 CA SER A 39 8.106 6.329 1.188 1.00 0.00 C ATOM 546 C SER A 39 8.170 4.967 0.485 1.00 0.00 C ATOM 547 O SER A 39 7.476 4.031 0.826 1.00 0.00 O ATOM 548 CB SER A 39 6.737 6.525 1.862 1.00 0.00 C ATOM 549 OG SER A 39 6.185 5.267 2.218 1.00 0.00 O ATOM 0 H SER A 39 7.451 7.626 -0.373 1.00 0.00 H new ATOM 0 HA SER A 39 8.884 6.379 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.846 7.148 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.062 7.049 1.186 1.00 0.00 H new ATOM 0 HG SER A 39 6.862 4.568 2.101 1.00 0.00 H new ATOM 555 N GLU A 40 9.001 4.855 -0.514 1.00 0.00 N ATOM 556 CA GLU A 40 9.110 3.567 -1.253 1.00 0.00 C ATOM 557 C GLU A 40 9.756 2.507 -0.367 1.00 0.00 C ATOM 558 O GLU A 40 9.580 1.327 -0.565 1.00 0.00 O ATOM 559 CB GLU A 40 9.954 3.774 -2.507 1.00 0.00 C ATOM 560 CG GLU A 40 11.353 4.250 -2.113 1.00 0.00 C ATOM 561 CD GLU A 40 12.148 4.585 -3.375 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.721 4.185 -4.445 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.171 5.239 -3.251 1.00 0.00 O ATOM 0 H GLU A 40 9.610 5.601 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 40 8.113 3.230 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.021 2.843 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.480 4.507 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.283 5.127 -1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.865 3.476 -1.542 1.00 0.00 H new ATOM 570 N GLU A 41 10.502 2.906 0.618 1.00 0.00 N ATOM 571 CA GLU A 41 11.126 1.891 1.500 1.00 0.00 C ATOM 572 C GLU A 41 10.010 1.144 2.237 1.00 0.00 C ATOM 573 O GLU A 41 10.146 -0.007 2.598 1.00 0.00 O ATOM 574 CB GLU A 41 12.077 2.569 2.494 1.00 0.00 C ATOM 575 CG GLU A 41 11.360 3.701 3.251 1.00 0.00 C ATOM 576 CD GLU A 41 11.367 4.981 2.408 1.00 0.00 C ATOM 577 OE1 GLU A 41 11.721 4.900 1.245 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.023 6.022 2.945 1.00 0.00 O ATOM 0 H GLU A 41 10.705 3.879 0.849 1.00 0.00 H new ATOM 0 HA GLU A 41 11.711 1.185 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.454 1.833 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.940 2.970 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.334 3.408 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.854 3.882 4.206 1.00 0.00 H new ATOM 585 N ASN A 42 8.903 1.805 2.461 1.00 0.00 N ATOM 586 CA ASN A 42 7.766 1.156 3.174 1.00 0.00 C ATOM 587 C ASN A 42 7.246 -0.052 2.383 1.00 0.00 C ATOM 588 O ASN A 42 7.088 -1.126 2.926 1.00 0.00 O ATOM 589 CB ASN A 42 6.637 2.175 3.358 1.00 0.00 C ATOM 590 CG ASN A 42 7.066 3.230 4.380 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.967 3.003 5.161 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.450 4.378 4.413 1.00 0.00 N ATOM 0 H ASN A 42 8.739 2.771 2.178 1.00 0.00 H new ATOM 0 HA ASN A 42 8.114 0.807 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.402 2.650 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.731 1.673 3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.725 5.085 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.693 4.569 3.757 1.00 0.00 H new ATOM 599 N ILE A 43 6.973 0.101 1.106 1.00 0.00 N ATOM 600 CA ILE A 43 6.463 -1.072 0.330 1.00 0.00 C ATOM 601 C ILE A 43 7.590 -2.090 0.155 1.00 0.00 C ATOM 602 O ILE A 43 7.388 -3.279 0.303 1.00 0.00 O ATOM 603 CB ILE A 43 5.921 -0.627 -1.038 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.152 -1.789 -1.684 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.068 -0.220 -1.965 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.837 -2.058 -0.933 1.00 0.00 C ATOM 0 H ILE A 43 7.079 0.968 0.579 1.00 0.00 H new ATOM 0 HA ILE A 43 5.642 -1.533 0.879 1.00 0.00 H new ATOM 0 HB ILE A 43 5.262 0.228 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.939 -1.555 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.769 -2.687 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.664 0.092 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.621 0.607 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.737 -1.068 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.309 -2.885 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.056 -2.315 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.213 -1.165 -0.961 1.00 0.00 H new ATOM 618 N ASP A 44 8.784 -1.639 -0.133 1.00 0.00 N ATOM 619 CA ASP A 44 9.908 -2.603 -0.282 1.00 0.00 C ATOM 620 C ASP A 44 10.075 -3.327 1.046 1.00 0.00 C ATOM 621 O ASP A 44 10.228 -4.531 1.100 1.00 0.00 O ATOM 622 CB ASP A 44 11.194 -1.854 -0.633 1.00 0.00 C ATOM 623 CG ASP A 44 11.098 -1.325 -2.065 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.292 -1.850 -2.816 1.00 0.00 O ATOM 625 OD2 ASP A 44 11.832 -0.405 -2.388 1.00 0.00 O ATOM 0 H ASP A 44 9.025 -0.657 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 44 9.698 -3.314 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.349 -1.029 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.053 -2.518 -0.535 1.00 0.00 H new ATOM 630 N PHE A 45 10.005 -2.597 2.124 1.00 0.00 N ATOM 631 CA PHE A 45 10.116 -3.229 3.464 1.00 0.00 C ATOM 632 C PHE A 45 8.960 -4.220 3.625 1.00 0.00 C ATOM 633 O PHE A 45 9.138 -5.328 4.081 1.00 0.00 O ATOM 634 CB PHE A 45 10.032 -2.138 4.537 1.00 0.00 C ATOM 635 CG PHE A 45 10.120 -2.743 5.918 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.370 -3.005 6.493 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.949 -3.030 6.633 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.450 -3.551 7.780 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.029 -3.572 7.920 1.00 0.00 C ATOM 640 CZ PHE A 45 10.279 -3.833 8.493 1.00 0.00 C ATOM 0 H PHE A 45 9.875 -1.585 2.132 1.00 0.00 H new ATOM 0 HA PHE A 45 11.065 -3.755 3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.840 -1.419 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.096 -1.590 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.273 -2.786 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.984 -2.832 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.414 -3.754 8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.126 -3.789 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.340 -4.252 9.486 1.00 0.00 H new ATOM 650 N TRP A 46 7.775 -3.821 3.244 1.00 0.00 N ATOM 651 CA TRP A 46 6.604 -4.735 3.362 1.00 0.00 C ATOM 652 C TRP A 46 6.823 -5.979 2.497 1.00 0.00 C ATOM 653 O TRP A 46 6.516 -7.086 2.898 1.00 0.00 O ATOM 654 CB TRP A 46 5.343 -4.010 2.888 1.00 0.00 C ATOM 655 CG TRP A 46 4.175 -4.931 3.013 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.551 -5.232 4.171 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.478 -5.671 1.967 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.520 -6.114 3.912 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.433 -6.414 2.567 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.648 -5.771 0.575 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.587 -7.227 1.812 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.797 -6.589 -0.189 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.770 -7.315 0.429 1.00 0.00 C ATOM 0 H TRP A 46 7.569 -2.901 2.856 1.00 0.00 H new ATOM 0 HA TRP A 46 6.490 -5.035 4.404 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.179 -3.112 3.483 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.460 -3.689 1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.815 -4.845 5.144 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.900 -6.496 4.626 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.437 -5.216 0.089 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.797 -7.784 2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.936 -6.658 -1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.120 -7.942 -0.163 1.00 0.00 H new ATOM 674 N ILE A 47 7.345 -5.810 1.311 1.00 0.00 N ATOM 675 CA ILE A 47 7.572 -6.985 0.420 1.00 0.00 C ATOM 676 C ILE A 47 8.566 -7.943 1.079 1.00 0.00 C ATOM 677 O ILE A 47 8.345 -9.139 1.127 1.00 0.00 O ATOM 678 CB ILE A 47 8.123 -6.508 -0.929 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.015 -5.771 -1.688 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.601 -7.707 -1.757 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.600 -5.075 -2.921 1.00 0.00 C ATOM 0 H ILE A 47 7.624 -4.910 0.921 1.00 0.00 H new ATOM 0 HA ILE A 47 6.628 -7.505 0.257 1.00 0.00 H new ATOM 0 HB ILE A 47 8.966 -5.839 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.240 -6.475 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.542 -5.037 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.990 -7.357 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.387 -8.233 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.765 -8.385 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.806 -4.553 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.359 -4.358 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.052 -5.818 -3.578 1.00 0.00 H new ATOM 693 N SER A 48 9.652 -7.439 1.590 1.00 0.00 N ATOM 694 CA SER A 48 10.639 -8.339 2.244 1.00 0.00 C ATOM 695 C SER A 48 10.017 -8.898 3.522 1.00 0.00 C ATOM 696 O SER A 48 10.149 -10.065 3.833 1.00 0.00 O ATOM 697 CB SER A 48 11.896 -7.547 2.594 1.00 0.00 C ATOM 698 OG SER A 48 11.576 -6.582 3.588 1.00 0.00 O ATOM 0 H SER A 48 9.898 -6.449 1.584 1.00 0.00 H new ATOM 0 HA SER A 48 10.905 -9.154 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.674 -8.218 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.290 -7.055 1.705 1.00 0.00 H new ATOM 0 HG SER A 48 10.673 -6.235 3.429 1.00 0.00 H new ATOM 704 N CYS A 49 9.323 -8.072 4.257 1.00 0.00 N ATOM 705 CA CYS A 49 8.676 -8.551 5.506 1.00 0.00 C ATOM 706 C CYS A 49 7.533 -9.496 5.135 1.00 0.00 C ATOM 707 O CYS A 49 7.214 -10.420 5.857 1.00 0.01 O ATOM 708 CB CYS A 49 8.137 -7.357 6.293 1.00 0.00 C ATOM 709 SG CYS A 49 9.485 -6.191 6.604 1.00 0.01 S ATOM 0 H CYS A 49 9.177 -7.085 4.044 1.00 0.00 H new ATOM 0 HA CYS A 49 9.401 -9.080 6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.339 -6.868 5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.706 -7.693 7.236 1.00 0.00 H new ATOM 0 HG CYS A 49 9.000 -5.085 7.085 1.00 0.01 H new ATOM 715 N GLU A 50 6.921 -9.284 4.003 1.00 0.00 N ATOM 716 CA GLU A 50 5.816 -10.185 3.581 1.00 0.00 C ATOM 717 C GLU A 50 6.372 -11.602 3.475 1.00 0.01 C ATOM 718 O GLU A 50 5.810 -12.545 3.994 1.00 0.00 O ATOM 719 CB GLU A 50 5.281 -9.730 2.219 1.00 0.01 C ATOM 720 CG GLU A 50 4.177 -10.681 1.749 1.00 0.00 C ATOM 721 CD GLU A 50 3.572 -10.163 0.444 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.911 -9.058 0.054 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.781 -10.880 -0.145 1.00 0.01 O ATOM 0 H GLU A 50 7.139 -8.527 3.354 1.00 0.00 H new ATOM 0 HA GLU A 50 5.002 -10.157 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.892 -8.715 2.292 1.00 0.01 H new ATOM 0 HB3 GLU A 50 6.090 -9.709 1.489 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.584 -11.681 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.404 -10.762 2.513 1.00 0.00 H new ATOM 730 N GLU A 51 7.491 -11.750 2.823 1.00 0.01 N ATOM 731 CA GLU A 51 8.108 -13.095 2.701 1.00 0.00 C ATOM 732 C GLU A 51 8.434 -13.609 4.104 1.00 0.01 C ATOM 733 O GLU A 51 8.262 -14.770 4.414 1.00 0.00 O ATOM 734 CB GLU A 51 9.391 -12.998 1.872 1.00 0.00 C ATOM 735 CG GLU A 51 9.036 -12.634 0.429 1.00 0.00 C ATOM 736 CD GLU A 51 10.313 -12.534 -0.408 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.385 -12.627 0.167 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.196 -12.375 -1.612 1.00 0.01 O ATOM 0 H GLU A 51 8.004 -10.994 2.369 1.00 0.01 H new ATOM 0 HA GLU A 51 7.420 -13.780 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.055 -12.245 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.927 -13.947 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.371 -13.388 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.499 -11.686 0.405 1.00 0.00 H new ATOM 745 N TYR A 52 8.912 -12.739 4.950 1.00 0.00 N ATOM 746 CA TYR A 52 9.264 -13.142 6.342 1.00 0.01 C ATOM 747 C TYR A 52 8.025 -13.687 7.060 1.00 0.01 C ATOM 748 O TYR A 52 8.100 -14.637 7.812 1.00 0.01 O ATOM 749 CB TYR A 52 9.768 -11.904 7.092 1.00 0.00 C ATOM 750 CG TYR A 52 10.236 -12.284 8.478 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.307 -12.533 9.499 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.606 -12.383 8.743 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.752 -12.883 10.781 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.050 -12.730 10.021 1.00 0.00 C ATOM 755 CZ TYR A 52 11.125 -12.981 11.042 1.00 0.01 C ATOM 756 OH TYR A 52 11.564 -13.324 12.305 1.00 0.01 O ATOM 0 H TYR A 52 9.076 -11.756 4.735 1.00 0.00 H new ATOM 0 HA TYR A 52 10.031 -13.916 6.316 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.586 -11.443 6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.972 -11.163 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.249 -12.455 9.297 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.322 -12.191 7.958 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.037 -13.077 11.567 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.108 -12.805 10.222 1.00 0.00 H new ATOM 0 HH TYR A 52 10.793 -13.512 12.880 1.00 0.01 H new ATOM 766 N LYS A 53 6.891 -13.074 6.855 1.00 0.01 N ATOM 767 CA LYS A 53 5.650 -13.531 7.550 1.00 0.01 C ATOM 768 C LYS A 53 5.101 -14.803 6.909 1.00 0.01 C ATOM 769 O LYS A 53 4.216 -15.439 7.448 1.00 0.01 O ATOM 770 CB LYS A 53 4.598 -12.426 7.471 1.00 0.01 C ATOM 771 CG LYS A 53 5.088 -11.229 8.277 1.00 0.00 C ATOM 772 CD LYS A 53 4.057 -10.103 8.219 1.00 0.00 C ATOM 773 CE LYS A 53 4.592 -8.888 8.981 1.00 0.01 C ATOM 774 NZ LYS A 53 5.534 -8.140 8.103 1.00 0.00 N ATOM 0 H LYS A 53 6.769 -12.274 6.235 1.00 0.01 H new ATOM 0 HA LYS A 53 5.892 -13.749 8.590 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.428 -12.139 6.433 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.645 -12.782 7.863 1.00 0.01 H new ATOM 0 HG2 LYS A 53 5.260 -11.523 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.042 -10.880 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.852 -9.835 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.115 -10.434 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.768 -8.242 9.286 1.00 0.01 H new ATOM 0 HE3 LYS A 53 5.099 -9.208 9.891 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 6.181 -7.576 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.083 -8.812 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.996 -7.509 7.475 1.00 0.00 H new ATOM 788 N LYS A 54 5.608 -15.191 5.771 1.00 0.00 N ATOM 789 CA LYS A 54 5.096 -16.432 5.113 1.00 0.01 C ATOM 790 C LYS A 54 5.981 -17.611 5.513 1.00 0.01 C ATOM 791 O LYS A 54 5.558 -18.749 5.491 1.00 0.01 O ATOM 792 CB LYS A 54 5.126 -16.239 3.597 1.00 0.01 C ATOM 793 CG LYS A 54 4.055 -15.220 3.206 1.00 0.01 C ATOM 794 CD LYS A 54 4.060 -15.005 1.689 1.00 0.00 C ATOM 795 CE LYS A 54 2.981 -13.981 1.306 1.00 0.01 C ATOM 796 NZ LYS A 54 3.321 -13.370 -0.011 1.00 0.01 N ATOM 0 H LYS A 54 6.352 -14.706 5.268 1.00 0.00 H new ATOM 0 HA LYS A 54 4.072 -16.633 5.428 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.110 -15.892 3.281 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.945 -17.188 3.093 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.074 -15.570 3.528 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.239 -14.274 3.716 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.040 -14.653 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.876 -15.950 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.006 -14.466 1.253 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.911 -13.207 2.071 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.853 -12.445 -0.096 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.351 -13.244 -0.080 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 2.996 -13.994 -0.777 1.00 0.01 H new ATOM 810 N ILE A 55 7.198 -17.350 5.905 1.00 0.01 N ATOM 811 CA ILE A 55 8.090 -18.464 6.335 1.00 0.01 C ATOM 812 C ILE A 55 7.617 -18.974 7.698 1.00 0.00 C ATOM 813 O ILE A 55 7.566 -18.234 8.663 1.00 0.01 O ATOM 814 CB ILE A 55 9.531 -17.958 6.436 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.031 -17.593 5.034 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.421 -19.055 7.033 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.365 -16.855 5.138 1.00 0.01 C ATOM 0 H ILE A 55 7.612 -16.419 5.946 1.00 0.01 H new ATOM 0 HA ILE A 55 8.053 -19.275 5.607 1.00 0.01 H new ATOM 0 HB ILE A 55 9.569 -17.079 7.080 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.149 -18.495 4.434 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.297 -16.967 4.527 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.447 -18.693 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.059 -19.316 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.391 -19.936 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.717 -16.597 4.139 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.232 -15.944 5.722 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.098 -17.496 5.627 1.00 0.01 H new ATOM 829 N LYS A 56 7.259 -20.229 7.789 1.00 0.01 N ATOM 830 CA LYS A 56 6.777 -20.785 9.091 1.00 0.01 C ATOM 831 C LYS A 56 7.937 -21.447 9.831 1.00 0.01 C ATOM 832 O LYS A 56 7.774 -21.966 10.915 1.00 0.01 O ATOM 833 CB LYS A 56 5.682 -21.818 8.825 1.00 0.01 C ATOM 834 CG LYS A 56 4.466 -21.115 8.219 1.00 0.01 C ATOM 835 CD LYS A 56 3.359 -22.134 7.949 1.00 0.00 C ATOM 836 CE LYS A 56 2.150 -21.420 7.343 1.00 0.00 C ATOM 837 NZ LYS A 56 1.574 -20.481 8.347 1.00 0.00 N ATOM 0 H LYS A 56 7.279 -20.895 7.017 1.00 0.01 H new ATOM 0 HA LYS A 56 6.377 -19.978 9.704 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.048 -22.588 8.146 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.404 -22.318 9.753 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.105 -20.343 8.899 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.748 -20.616 7.292 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.718 -22.906 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.074 -22.633 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.447 -20.874 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.399 -22.149 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.593 -20.255 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.590 -20.925 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.137 -19.607 8.368 1.00 0.00 H new ATOM 851 N SER A 57 9.111 -21.426 9.255 1.00 0.00 N ATOM 852 CA SER A 57 10.295 -22.045 9.928 1.00 0.01 C ATOM 853 C SER A 57 11.039 -20.948 10.716 1.00 0.01 C ATOM 854 O SER A 57 11.619 -20.069 10.111 1.00 0.00 O ATOM 855 CB SER A 57 11.239 -22.601 8.863 1.00 0.01 C ATOM 856 OG SER A 57 10.586 -23.645 8.151 1.00 0.01 O ATOM 0 H SER A 57 9.303 -21.006 8.345 1.00 0.00 H new ATOM 0 HA SER A 57 9.971 -22.844 10.595 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.537 -21.809 8.176 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.149 -22.978 9.329 1.00 0.01 H new ATOM 0 HG SER A 57 10.672 -23.488 7.188 1.00 0.01 H new ATOM 862 N PRO A 58 11.036 -20.957 12.038 1.00 0.00 N ATOM 863 CA PRO A 58 11.746 -19.884 12.790 1.00 0.01 C ATOM 864 C PRO A 58 13.273 -19.995 12.651 1.00 0.00 C ATOM 865 O PRO A 58 14.008 -19.117 13.059 1.00 0.00 O ATOM 866 CB PRO A 58 11.285 -20.126 14.241 1.00 0.01 C ATOM 867 CG PRO A 58 10.596 -21.503 14.306 1.00 0.01 C ATOM 868 CD PRO A 58 10.359 -21.999 12.867 1.00 0.01 C ATOM 0 HA PRO A 58 11.516 -18.883 12.425 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.137 -20.095 14.920 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.597 -19.342 14.557 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.217 -22.212 14.854 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.650 -21.428 14.842 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.790 -22.987 12.704 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.297 -22.072 12.635 1.00 0.01 H new ATOM 876 N SER A 59 13.751 -21.067 12.075 1.00 0.01 N ATOM 877 CA SER A 59 15.224 -21.236 11.909 1.00 0.01 C ATOM 878 C SER A 59 15.684 -20.539 10.627 1.00 0.01 C ATOM 879 O SER A 59 16.840 -20.195 10.477 1.00 0.01 O ATOM 880 CB SER A 59 15.558 -22.726 11.820 1.00 0.01 C ATOM 881 OG SER A 59 15.022 -23.254 10.613 1.00 0.01 O ATOM 0 H SER A 59 13.184 -21.833 11.712 1.00 0.01 H new ATOM 0 HA SER A 59 15.735 -20.794 12.765 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.638 -22.871 11.846 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.144 -23.256 12.678 1.00 0.01 H new ATOM 0 HG SER A 59 15.235 -24.209 10.551 1.00 0.01 H new ATOM 887 N LYS A 60 14.791 -20.335 9.695 1.00 0.00 N ATOM 888 CA LYS A 60 15.181 -19.667 8.415 1.00 0.00 C ATOM 889 C LYS A 60 14.997 -18.153 8.535 1.00 0.01 C ATOM 890 O LYS A 60 15.533 -17.390 7.758 1.00 0.01 O ATOM 891 CB LYS A 60 14.282 -20.186 7.292 1.00 0.01 C ATOM 892 CG LYS A 60 14.612 -21.651 7.004 1.00 0.01 C ATOM 893 CD LYS A 60 13.711 -22.168 5.878 1.00 0.01 C ATOM 894 CE LYS A 60 14.039 -23.634 5.592 1.00 0.01 C ATOM 895 NZ LYS A 60 13.475 -24.488 6.676 1.00 0.01 N ATOM 0 H LYS A 60 13.809 -20.601 9.763 1.00 0.00 H new ATOM 0 HA LYS A 60 16.227 -19.887 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.234 -20.088 7.577 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.425 -19.587 6.392 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.660 -21.749 6.720 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.468 -22.250 7.903 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.663 -22.068 6.162 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.856 -21.570 4.978 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.624 -23.930 4.628 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.119 -23.771 5.530 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.311 -25.448 6.312 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.145 -24.529 7.470 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.575 -24.083 7.004 1.00 0.01 H new ATOM 909 N LEU A 61 14.236 -17.716 9.500 1.00 0.01 N ATOM 910 CA LEU A 61 14.003 -16.253 9.668 1.00 0.01 C ATOM 911 C LEU A 61 15.315 -15.529 9.989 1.00 0.01 C ATOM 912 O LEU A 61 15.562 -14.441 9.511 1.00 0.01 O ATOM 913 CB LEU A 61 13.025 -16.032 10.824 1.00 0.01 C ATOM 914 CG LEU A 61 11.672 -16.700 10.536 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.717 -16.424 11.707 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.063 -16.145 9.236 1.00 0.01 C ATOM 0 H LEU A 61 13.764 -18.310 10.182 1.00 0.01 H new ATOM 0 HA LEU A 61 13.596 -15.855 8.738 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.446 -16.437 11.744 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.880 -14.963 10.983 1.00 0.01 H new ATOM 0 HG LEU A 61 11.822 -17.773 10.420 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.754 -16.895 11.510 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.140 -16.832 12.625 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.579 -15.349 11.818 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.105 -16.629 9.047 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.913 -15.070 9.334 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.739 -16.342 8.404 1.00 0.01 H new ATOM 928 N SER A 62 16.146 -16.112 10.806 1.00 0.00 N ATOM 929 CA SER A 62 17.428 -15.441 11.169 1.00 0.01 C ATOM 930 C SER A 62 18.185 -14.969 9.910 1.00 0.01 C ATOM 931 O SER A 62 18.385 -13.783 9.731 1.00 0.01 O ATOM 932 CB SER A 62 18.287 -16.402 12.009 1.00 0.01 C ATOM 933 OG SER A 62 18.122 -16.083 13.388 1.00 0.01 O ATOM 0 H SER A 62 15.995 -17.023 11.239 1.00 0.00 H new ATOM 0 HA SER A 62 17.209 -14.553 11.762 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.990 -17.434 11.823 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.336 -16.316 11.725 1.00 0.01 H new ATOM 0 HG SER A 62 18.665 -16.692 13.932 1.00 0.01 H new ATOM 939 N PRO A 63 18.609 -15.863 9.041 1.00 0.00 N ATOM 940 CA PRO A 63 19.349 -15.455 7.815 1.00 0.00 C ATOM 941 C PRO A 63 18.815 -14.162 7.180 1.00 0.01 C ATOM 942 O PRO A 63 19.524 -13.182 7.071 1.00 0.00 O ATOM 943 CB PRO A 63 19.144 -16.674 6.896 1.00 0.01 C ATOM 944 CG PRO A 63 18.659 -17.854 7.769 1.00 0.01 C ATOM 945 CD PRO A 63 18.395 -17.330 9.197 1.00 0.01 C ATOM 0 HA PRO A 63 20.394 -15.216 8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.412 -16.448 6.120 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.075 -16.931 6.391 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.750 -18.287 7.350 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.409 -18.645 7.788 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.384 -17.560 9.534 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.081 -17.766 9.924 1.00 0.01 H new ATOM 953 N LYS A 64 17.581 -14.145 6.749 1.00 0.01 N ATOM 954 CA LYS A 64 17.049 -12.905 6.116 1.00 0.01 C ATOM 955 C LYS A 64 16.827 -11.818 7.168 1.00 0.00 C ATOM 956 O LYS A 64 16.852 -10.644 6.861 1.00 0.00 O ATOM 957 CB LYS A 64 15.730 -13.197 5.388 1.00 0.00 C ATOM 958 CG LYS A 64 14.712 -13.835 6.343 1.00 0.01 C ATOM 959 CD LYS A 64 13.295 -13.655 5.780 1.00 0.01 C ATOM 960 CE LYS A 64 13.227 -14.211 4.352 1.00 0.01 C ATOM 961 NZ LYS A 64 13.814 -13.222 3.404 1.00 0.00 N ATOM 0 H LYS A 64 16.927 -14.925 6.807 1.00 0.01 H new ATOM 0 HA LYS A 64 17.783 -12.552 5.392 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.322 -12.273 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.914 -13.864 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.932 -14.895 6.470 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.784 -13.374 7.328 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.574 -14.170 6.415 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.025 -12.599 5.782 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.769 -15.154 4.292 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.192 -14.420 4.081 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.243 -13.193 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.821 -12.280 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.788 -13.502 3.169 1.00 0.00 H new ATOM 975 N ALA A 65 16.611 -12.185 8.401 1.00 0.00 N ATOM 976 CA ALA A 65 16.394 -11.141 9.438 1.00 0.01 C ATOM 977 C ALA A 65 17.619 -10.229 9.490 1.00 0.01 C ATOM 978 O ALA A 65 17.504 -9.022 9.468 1.00 0.01 O ATOM 979 CB ALA A 65 16.191 -11.796 10.806 1.00 0.01 C ATOM 0 H ALA A 65 16.576 -13.149 8.731 1.00 0.00 H new ATOM 0 HA ALA A 65 15.506 -10.560 9.187 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.033 -11.024 11.559 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.321 -12.452 10.770 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.074 -12.380 11.065 1.00 0.01 H new ATOM 985 N LYS A 66 18.795 -10.795 9.559 1.00 0.01 N ATOM 986 CA LYS A 66 20.019 -9.948 9.608 1.00 0.00 C ATOM 987 C LYS A 66 20.113 -9.106 8.336 1.00 0.01 C ATOM 988 O LYS A 66 20.432 -7.935 8.379 1.00 0.01 O ATOM 989 CB LYS A 66 21.266 -10.832 9.714 1.00 0.01 C ATOM 990 CG LYS A 66 21.326 -11.491 11.094 1.00 0.01 C ATOM 991 CD LYS A 66 22.577 -12.368 11.177 1.00 0.01 C ATOM 992 CE LYS A 66 22.650 -13.033 12.553 1.00 0.00 C ATOM 993 NZ LYS A 66 21.447 -13.888 12.760 1.00 0.00 N ATOM 0 H LYS A 66 18.959 -11.801 9.583 1.00 0.01 H new ATOM 0 HA LYS A 66 19.960 -9.297 10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.247 -11.597 8.937 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.161 -10.233 9.549 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.348 -10.729 11.874 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.433 -12.093 11.262 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.553 -13.128 10.396 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.468 -11.764 11.006 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.555 -13.636 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.707 -12.273 13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.629 -14.562 13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.634 -13.289 13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.238 -14.410 11.885 1.00 0.00 H new ATOM 1007 N LYS A 67 19.845 -9.695 7.199 1.00 0.00 N ATOM 1008 CA LYS A 67 19.930 -8.921 5.928 1.00 0.00 C ATOM 1009 C LYS A 67 18.902 -7.794 5.949 1.00 0.01 C ATOM 1010 O LYS A 67 19.214 -6.649 5.689 1.00 0.01 O ATOM 1011 CB LYS A 67 19.623 -9.845 4.747 1.00 0.00 C ATOM 1012 CG LYS A 67 20.741 -10.875 4.589 1.00 0.01 C ATOM 1013 CD LYS A 67 20.422 -11.789 3.405 1.00 0.00 C ATOM 1014 CE LYS A 67 21.538 -12.820 3.247 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.178 -13.783 2.169 1.00 0.01 N ATOM 0 H LYS A 67 19.573 -10.673 7.097 1.00 0.00 H new ATOM 0 HA LYS A 67 20.933 -8.507 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.671 -10.351 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.523 -9.260 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.695 -10.372 4.428 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.841 -11.463 5.501 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.468 -12.291 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.323 -11.200 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.476 -12.321 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.692 -13.351 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.938 -14.485 2.062 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.292 -14.268 2.418 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.052 -13.270 1.273 1.00 0.01 H new ATOM 1029 N ILE A 68 17.677 -8.111 6.251 1.00 0.01 N ATOM 1030 CA ILE A 68 16.626 -7.062 6.282 1.00 0.00 C ATOM 1031 C ILE A 68 16.858 -6.133 7.474 1.00 0.01 C ATOM 1032 O ILE A 68 16.728 -4.931 7.374 1.00 0.00 O ATOM 1033 CB ILE A 68 15.259 -7.731 6.398 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.046 -8.644 5.189 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.167 -6.663 6.430 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.802 -9.507 5.408 1.00 0.00 C ATOM 0 H ILE A 68 17.358 -9.053 6.478 1.00 0.01 H new ATOM 0 HA ILE A 68 16.666 -6.473 5.366 1.00 0.00 H new ATOM 0 HB ILE A 68 15.214 -8.318 7.315 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.931 -8.046 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.920 -9.279 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.192 -7.142 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.323 -6.008 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.206 -6.075 5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.653 -10.156 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.935 -10.116 6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.931 -8.864 5.533 1.00 0.00 H new ATOM 1048 N TYR A 69 17.205 -6.684 8.602 1.00 0.00 N ATOM 1049 CA TYR A 69 17.449 -5.839 9.801 1.00 0.01 C ATOM 1050 C TYR A 69 18.586 -4.857 9.509 1.00 0.00 C ATOM 1051 O TYR A 69 18.482 -3.673 9.764 1.00 0.01 O ATOM 1052 CB TYR A 69 17.835 -6.740 10.976 1.00 0.01 C ATOM 1053 CG TYR A 69 18.151 -5.894 12.186 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.421 -5.327 12.327 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.180 -5.689 13.173 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.723 -4.553 13.453 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.480 -4.913 14.299 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.752 -4.346 14.440 1.00 0.01 C ATOM 1059 OH TYR A 69 19.049 -3.583 15.551 1.00 0.01 O ATOM 0 H TYR A 69 17.330 -7.686 8.745 1.00 0.00 H new ATOM 0 HA TYR A 69 16.547 -5.280 10.050 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.019 -7.426 11.203 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.699 -7.349 10.711 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.170 -5.487 11.566 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.200 -6.129 13.066 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.705 -4.116 13.561 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.730 -4.752 15.059 1.00 0.01 H new ATOM 0 HH TYR A 69 18.349 -2.909 15.682 1.00 0.01 H new ATOM 1069 N ASN A 70 19.675 -5.350 8.987 1.00 0.01 N ATOM 1070 CA ASN A 70 20.833 -4.463 8.685 1.00 0.00 C ATOM 1071 C ASN A 70 20.475 -3.455 7.589 1.00 0.00 C ATOM 1072 O ASN A 70 20.875 -2.309 7.630 1.00 0.01 O ATOM 1073 CB ASN A 70 22.008 -5.323 8.206 1.00 0.00 C ATOM 1074 CG ASN A 70 22.554 -6.143 9.374 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.517 -7.357 9.348 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.069 -5.526 10.402 1.00 0.01 N ATOM 0 H ASN A 70 19.813 -6.334 8.756 1.00 0.01 H new ATOM 0 HA ASN A 70 21.101 -3.917 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.683 -5.986 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.793 -4.688 7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.441 -6.063 11.185 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.099 -4.507 10.422 1.00 0.01 H new ATOM 1083 N GLU A 71 19.753 -3.881 6.592 1.00 0.00 N ATOM 1084 CA GLU A 71 19.403 -2.967 5.467 1.00 0.00 C ATOM 1085 C GLU A 71 18.189 -2.084 5.788 1.00 0.00 C ATOM 1086 O GLU A 71 17.905 -1.160 5.052 1.00 0.00 O ATOM 1087 CB GLU A 71 19.087 -3.815 4.236 1.00 0.00 C ATOM 1088 CG GLU A 71 20.371 -4.466 3.712 1.00 0.00 C ATOM 1089 CD GLU A 71 20.046 -5.320 2.485 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.872 -5.492 2.201 1.00 0.00 O ATOM 1091 OE2 GLU A 71 20.977 -5.795 1.854 1.00 0.00 O ATOM 0 H GLU A 71 19.387 -4.829 6.506 1.00 0.00 H new ATOM 0 HA GLU A 71 20.252 -2.307 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.356 -4.583 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.640 -3.194 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 71 21.100 -3.699 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.822 -5.083 4.489 1.00 0.00 H new ATOM 1098 N PHE A 72 17.437 -2.368 6.832 1.00 0.00 N ATOM 1099 CA PHE A 72 16.216 -1.530 7.119 1.00 0.00 C ATOM 1100 C PHE A 72 16.100 -1.131 8.597 1.00 0.00 C ATOM 1101 O PHE A 72 15.526 -0.107 8.910 1.00 0.00 O ATOM 1102 CB PHE A 72 14.979 -2.341 6.735 1.00 0.00 C ATOM 1103 CG PHE A 72 14.923 -2.490 5.233 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.591 -3.551 4.612 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.210 -1.566 4.462 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.545 -3.690 3.219 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.162 -1.704 3.068 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.830 -2.767 2.448 1.00 0.00 C ATOM 0 H PHE A 72 17.610 -3.129 7.488 1.00 0.00 H new ATOM 0 HA PHE A 72 16.300 -0.611 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.013 -3.323 7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.078 -1.844 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.143 -4.264 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.696 -0.746 4.941 1.00 0.00 H new ATOM 0 HE1 PHE A 72 16.061 -4.509 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.610 -0.991 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.793 -2.875 1.374 1.00 0.00 H new ATOM 1118 N ILE A 73 16.582 -1.934 9.512 1.00 0.00 N ATOM 1119 CA ILE A 73 16.428 -1.594 10.970 1.00 0.00 C ATOM 1120 C ILE A 73 17.718 -1.009 11.551 1.00 0.00 C ATOM 1121 O ILE A 73 17.683 -0.061 12.309 1.00 0.01 O ATOM 1122 CB ILE A 73 16.059 -2.870 11.730 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.743 -3.447 11.168 1.00 0.00 C ATOM 1124 CG2 ILE A 73 15.905 -2.560 13.223 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.595 -2.432 11.280 1.00 0.00 C ATOM 0 H ILE A 73 17.074 -2.807 9.320 1.00 0.00 H new ATOM 0 HA ILE A 73 15.646 -0.841 11.073 1.00 0.00 H new ATOM 0 HB ILE A 73 16.852 -3.607 11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.883 -3.727 10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.482 -4.356 11.710 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.642 -3.472 13.759 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.845 -2.168 13.612 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.118 -1.819 13.361 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.682 -2.869 10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.440 -2.172 12.327 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.847 -1.534 10.717 1.00 0.00 H new ATOM 1137 N SER A 74 18.850 -1.558 11.229 1.00 0.01 N ATOM 1138 CA SER A 74 20.107 -1.008 11.806 1.00 0.00 C ATOM 1139 C SER A 74 20.252 0.462 11.411 1.00 0.00 C ATOM 1140 O SER A 74 20.079 0.830 10.266 1.00 0.01 O ATOM 1141 CB SER A 74 21.309 -1.791 11.287 1.00 0.00 C ATOM 1142 OG SER A 74 22.498 -1.251 11.847 1.00 0.01 O ATOM 0 H SER A 74 18.963 -2.353 10.600 1.00 0.01 H new ATOM 0 HA SER A 74 20.065 -1.095 12.892 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.214 -2.844 11.552 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.349 -1.739 10.199 1.00 0.00 H new ATOM 0 HG SER A 74 23.272 -1.753 11.517 1.00 0.01 H new ATOM 1148 N VAL A 75 20.573 1.304 12.354 1.00 0.01 N ATOM 1149 CA VAL A 75 20.736 2.748 12.037 1.00 0.01 C ATOM 1150 C VAL A 75 21.775 2.904 10.927 1.00 0.00 C ATOM 1151 O VAL A 75 21.980 3.979 10.398 1.00 0.00 O ATOM 1152 CB VAL A 75 21.191 3.497 13.292 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.141 3.334 14.392 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.523 2.917 13.776 1.00 0.00 C ATOM 0 H VAL A 75 20.729 1.053 13.330 1.00 0.01 H new ATOM 0 HA VAL A 75 19.786 3.164 11.701 1.00 0.01 H new ATOM 0 HB VAL A 75 21.315 4.554 13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.465 3.867 15.286 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.190 3.742 14.050 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.019 2.276 14.625 1.00 0.01 H new ATOM 0 HG21 VAL A 75 22.848 3.449 14.670 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.396 1.860 14.009 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.274 3.028 12.994 1.00 0.00 H new ATOM 1164 N GLN A 76 22.432 1.835 10.568 1.00 0.01 N ATOM 1165 CA GLN A 76 23.460 1.903 9.489 1.00 0.01 C ATOM 1166 C GLN A 76 22.816 1.492 8.165 1.00 0.01 C ATOM 1167 O GLN A 76 23.454 1.461 7.131 1.00 0.01 O ATOM 1168 CB GLN A 76 24.604 0.945 9.824 1.00 0.00 C ATOM 1169 CG GLN A 76 25.388 1.488 11.020 1.00 0.01 C ATOM 1170 CD GLN A 76 26.376 0.431 11.515 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.181 -0.750 11.301 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.435 0.809 12.174 1.00 0.01 N ATOM 0 H GLN A 76 22.300 0.911 10.979 1.00 0.01 H new ATOM 0 HA GLN A 76 23.851 2.917 9.407 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.209 -0.045 10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.263 0.833 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.923 2.394 10.735 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.702 1.762 11.822 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.598 1.800 12.353 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.101 0.114 12.511 1.00 0.01 H new ATOM 1181 N ALA A 77 21.550 1.180 8.192 1.00 0.01 N ATOM 1182 CA ALA A 77 20.844 0.777 6.940 1.00 0.00 C ATOM 1183 C ALA A 77 21.041 1.861 5.879 1.00 0.01 C ATOM 1184 O ALA A 77 21.042 3.039 6.178 1.00 0.00 O ATOM 1185 CB ALA A 77 19.350 0.618 7.228 1.00 0.00 C ATOM 0 H ALA A 77 20.970 1.186 9.031 1.00 0.01 H new ATOM 0 HA ALA A 77 21.249 -0.169 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.833 0.324 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.206 -0.148 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.945 1.565 7.585 1.00 0.00 H new ATOM 1191 N THR A 78 21.200 1.481 4.640 1.00 0.01 N ATOM 1192 CA THR A 78 21.383 2.508 3.576 1.00 0.01 C ATOM 1193 C THR A 78 20.060 3.249 3.382 1.00 0.01 C ATOM 1194 O THR A 78 20.018 4.347 2.865 1.00 0.00 O ATOM 1195 CB THR A 78 21.790 1.833 2.263 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.761 0.942 1.854 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.093 1.054 2.462 1.00 0.01 C ATOM 0 H THR A 78 21.211 0.512 4.321 1.00 0.01 H new ATOM 0 HA THR A 78 22.166 3.207 3.869 1.00 0.01 H new ATOM 0 HB THR A 78 21.942 2.594 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.018 0.510 1.013 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.378 0.576 1.525 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.882 1.738 2.775 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.948 0.293 3.228 1.00 0.01 H new ATOM 1205 N LYS A 79 18.976 2.650 3.809 1.00 0.00 N ATOM 1206 CA LYS A 79 17.635 3.298 3.673 1.00 0.00 C ATOM 1207 C LYS A 79 16.825 3.045 4.949 1.00 0.00 C ATOM 1208 O LYS A 79 16.015 2.144 5.023 1.00 0.00 O ATOM 1209 CB LYS A 79 16.899 2.725 2.449 1.00 0.00 C ATOM 1210 CG LYS A 79 16.959 1.188 2.444 1.00 0.00 C ATOM 1211 CD LYS A 79 16.542 0.670 1.066 1.00 0.01 C ATOM 1212 CE LYS A 79 15.118 1.132 0.749 1.00 0.00 C ATOM 1213 NZ LYS A 79 14.540 0.263 -0.316 1.00 0.00 N ATOM 0 H LYS A 79 18.963 1.731 4.250 1.00 0.00 H new ATOM 0 HA LYS A 79 17.757 4.372 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.859 3.053 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.348 3.114 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.968 0.851 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.299 0.784 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.231 1.037 0.305 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.594 -0.419 1.045 1.00 0.01 H new ATOM 0 HE2 LYS A 79 14.501 1.086 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.126 2.171 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.572 0.576 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.125 0.329 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.519 -0.723 0.014 1.00 0.00 H new ATOM 1227 N GLU A 80 17.042 3.839 5.959 1.00 0.00 N ATOM 1228 CA GLU A 80 16.295 3.646 7.233 1.00 0.00 C ATOM 1229 C GLU A 80 14.798 3.862 6.997 1.00 0.00 C ATOM 1230 O GLU A 80 14.398 4.738 6.256 1.00 0.00 O ATOM 1231 CB GLU A 80 16.788 4.655 8.272 1.00 0.00 C ATOM 1232 CG GLU A 80 18.233 4.333 8.658 1.00 0.00 C ATOM 1233 CD GLU A 80 18.718 5.344 9.697 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.002 6.303 9.937 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.795 5.146 10.234 1.00 0.01 O ATOM 0 H GLU A 80 17.705 4.614 5.958 1.00 0.00 H new ATOM 0 HA GLU A 80 16.463 2.631 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.726 5.666 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.150 4.624 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.297 3.322 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.873 4.366 7.776 1.00 0.00 H new ATOM 1242 N VAL A 81 13.968 3.076 7.636 1.00 0.00 N ATOM 1243 CA VAL A 81 12.488 3.230 7.471 1.00 0.00 C ATOM 1244 C VAL A 81 11.935 3.950 8.699 1.00 0.00 C ATOM 1245 O VAL A 81 12.497 3.889 9.773 1.00 0.00 O ATOM 1246 CB VAL A 81 11.834 1.848 7.350 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.033 1.308 5.935 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.471 0.892 8.359 1.00 0.00 C ATOM 0 H VAL A 81 14.253 2.329 8.269 1.00 0.00 H new ATOM 0 HA VAL A 81 12.272 3.804 6.570 1.00 0.00 H new ATOM 0 HB VAL A 81 10.767 1.933 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.567 0.326 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.575 1.989 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.099 1.223 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.006 -0.090 8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.539 0.807 8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.323 1.276 9.368 1.00 0.00 H new ATOM 1258 N ASN A 82 10.844 4.643 8.547 1.00 0.00 N ATOM 1259 CA ASN A 82 10.264 5.381 9.703 1.00 0.00 C ATOM 1260 C ASN A 82 9.650 4.391 10.698 1.00 0.00 C ATOM 1261 O ASN A 82 8.617 3.802 10.448 1.00 0.00 O ATOM 1262 CB ASN A 82 9.184 6.326 9.177 1.00 0.00 C ATOM 1263 CG ASN A 82 8.380 5.607 8.094 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.381 4.395 8.024 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.691 6.309 7.238 1.00 0.00 N ATOM 0 H ASN A 82 10.327 4.731 7.672 1.00 0.00 H new ATOM 0 HA ASN A 82 11.042 5.948 10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.527 6.637 9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.639 7.229 8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.153 5.840 6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.690 7.327 7.297 1.00 0.00 H new ATOM 1272 N LEU A 83 10.281 4.216 11.830 1.00 0.00 N ATOM 1273 CA LEU A 83 9.755 3.275 12.869 1.00 0.00 C ATOM 1274 C LEU A 83 10.061 3.848 14.255 1.00 0.00 C ATOM 1275 O LEU A 83 10.925 4.685 14.411 1.00 0.00 O ATOM 1276 CB LEU A 83 10.438 1.907 12.735 1.00 0.01 C ATOM 1277 CG LEU A 83 10.012 1.207 11.434 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.841 -0.070 11.264 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.517 0.837 11.488 1.00 0.00 C ATOM 0 H LEU A 83 11.148 4.689 12.083 1.00 0.00 H new ATOM 0 HA LEU A 83 8.680 3.155 12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.521 2.034 12.747 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.181 1.282 13.590 1.00 0.01 H new ATOM 0 HG LEU A 83 10.178 1.881 10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.547 -0.575 10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.899 0.187 11.215 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.668 -0.732 12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.231 0.342 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.339 0.165 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.923 1.742 11.615 1.00 0.00 H new ATOM 1291 N ASP A 84 9.358 3.404 15.261 1.00 0.01 N ATOM 1292 CA ASP A 84 9.615 3.928 16.631 1.00 0.00 C ATOM 1293 C ASP A 84 10.955 3.388 17.140 1.00 0.00 C ATOM 1294 O ASP A 84 11.460 2.393 16.656 1.00 0.00 O ATOM 1295 CB ASP A 84 8.493 3.478 17.571 1.00 0.00 C ATOM 1296 CG ASP A 84 7.201 4.215 17.213 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.290 5.252 16.574 1.00 0.01 O ATOM 1298 OD2 ASP A 84 6.145 3.728 17.579 1.00 0.00 O ATOM 0 H ASP A 84 8.620 2.704 15.193 1.00 0.01 H new ATOM 0 HA ASP A 84 9.648 5.017 16.602 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.345 2.401 17.488 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.767 3.684 18.606 1.00 0.00 H new ATOM 1303 N SER A 85 11.536 4.038 18.110 1.00 0.00 N ATOM 1304 CA SER A 85 12.845 3.568 18.652 1.00 0.01 C ATOM 1305 C SER A 85 12.643 2.262 19.424 1.00 0.01 C ATOM 1306 O SER A 85 13.574 1.511 19.644 1.00 0.00 O ATOM 1307 CB SER A 85 13.425 4.628 19.589 1.00 0.01 C ATOM 1308 OG SER A 85 13.721 5.803 18.845 1.00 0.00 O ATOM 0 H SER A 85 11.161 4.877 18.553 1.00 0.00 H new ATOM 0 HA SER A 85 13.535 3.398 17.825 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.714 4.856 20.383 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.328 4.251 20.069 1.00 0.01 H new ATOM 0 HG SER A 85 14.091 6.485 19.444 1.00 0.00 H new ATOM 1314 N CYS A 86 11.438 1.987 19.845 1.00 0.01 N ATOM 1315 CA CYS A 86 11.187 0.733 20.613 1.00 0.01 C ATOM 1316 C CYS A 86 11.031 -0.446 19.650 1.00 0.00 C ATOM 1317 O CYS A 86 11.584 -1.506 19.860 1.00 0.01 O ATOM 1318 CB CYS A 86 9.903 0.887 21.429 1.00 0.01 C ATOM 1319 SG CYS A 86 9.762 -0.491 22.595 1.00 0.01 S ATOM 0 H CYS A 86 10.618 2.574 19.691 1.00 0.01 H new ATOM 0 HA CYS A 86 12.030 0.547 21.278 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.913 1.834 21.968 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.038 0.907 20.766 1.00 0.01 H new ATOM 0 HG CYS A 86 8.672 -0.361 23.291 1.00 0.01 H new ATOM 1325 N THR A 87 10.284 -0.276 18.594 1.00 0.00 N ATOM 1326 CA THR A 87 10.107 -1.397 17.630 1.00 0.00 C ATOM 1327 C THR A 87 11.468 -1.803 17.067 1.00 0.00 C ATOM 1328 O THR A 87 11.779 -2.972 16.949 1.00 0.01 O ATOM 1329 CB THR A 87 9.192 -0.964 16.483 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.927 -0.590 17.008 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.019 -2.128 15.504 1.00 0.00 C ATOM 0 H THR A 87 9.791 0.585 18.358 1.00 0.00 H new ATOM 0 HA THR A 87 9.655 -2.243 18.147 1.00 0.00 H new ATOM 0 HB THR A 87 9.634 -0.115 15.961 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.218 -0.915 16.415 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.367 -1.822 14.686 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.992 -2.415 15.105 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.575 -2.977 16.023 1.00 0.00 H new ATOM 1339 N ARG A 88 12.287 -0.849 16.716 1.00 0.01 N ATOM 1340 CA ARG A 88 13.624 -1.195 16.161 1.00 0.00 C ATOM 1341 C ARG A 88 14.413 -1.997 17.193 1.00 0.00 C ATOM 1342 O ARG A 88 14.952 -3.046 16.901 1.00 0.01 O ATOM 1343 CB ARG A 88 14.388 0.090 15.834 1.00 0.00 C ATOM 1344 CG ARG A 88 13.742 0.777 14.634 1.00 0.00 C ATOM 1345 CD ARG A 88 14.520 2.049 14.299 1.00 0.00 C ATOM 1346 NE ARG A 88 13.906 2.706 13.113 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.199 3.943 12.831 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.014 4.612 13.598 1.00 0.00 N ATOM 1349 NH2 ARG A 88 13.674 4.515 11.782 1.00 0.01 N ATOM 0 H ARG A 88 12.089 0.149 16.789 1.00 0.01 H new ATOM 0 HA ARG A 88 13.496 -1.788 15.255 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.382 0.758 16.695 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.431 -0.140 15.616 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.735 0.105 13.776 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.703 1.021 14.856 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.511 2.729 15.151 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.563 1.807 14.095 1.00 0.00 H new ATOM 0 HE ARG A 88 13.256 2.188 12.522 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.423 4.166 14.420 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.243 5.581 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.034 3.993 11.183 1.00 0.01 H new ATOM 0 HH22 ARG A 88 13.903 5.484 11.561 1.00 0.01 H new ATOM 1363 N GLU A 89 14.480 -1.511 18.403 1.00 0.01 N ATOM 1364 CA GLU A 89 15.231 -2.244 19.458 1.00 0.01 C ATOM 1365 C GLU A 89 14.598 -3.617 19.684 1.00 0.01 C ATOM 1366 O GLU A 89 15.283 -4.605 19.853 1.00 0.00 O ATOM 1367 CB GLU A 89 15.197 -1.441 20.759 1.00 0.01 C ATOM 1368 CG GLU A 89 16.060 -0.187 20.600 1.00 0.01 C ATOM 1369 CD GLU A 89 15.979 0.656 21.872 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.181 0.319 22.733 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.712 1.626 21.964 1.00 0.01 O ATOM 0 H GLU A 89 14.047 -0.638 18.705 1.00 0.01 H new ATOM 0 HA GLU A 89 16.265 -2.375 19.140 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.171 -1.163 21.002 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.566 -2.049 21.585 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.095 -0.468 20.403 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.719 0.395 19.744 1.00 0.01 H new ATOM 1378 N GLU A 90 13.295 -3.692 19.694 1.00 0.00 N ATOM 1379 CA GLU A 90 12.635 -5.011 19.915 1.00 0.01 C ATOM 1380 C GLU A 90 13.064 -5.972 18.810 1.00 0.01 C ATOM 1381 O GLU A 90 13.327 -7.131 19.056 1.00 0.01 O ATOM 1382 CB GLU A 90 11.112 -4.843 19.907 1.00 0.01 C ATOM 1383 CG GLU A 90 10.458 -6.139 20.398 1.00 0.00 C ATOM 1384 CD GLU A 90 8.953 -5.923 20.565 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.525 -4.783 20.476 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.256 -6.899 20.782 1.00 0.00 O ATOM 0 H GLU A 90 12.662 -2.903 19.560 1.00 0.00 H new ATOM 0 HA GLU A 90 12.933 -5.413 20.883 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.823 -4.010 20.548 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.766 -4.606 18.901 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.643 -6.944 19.687 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.899 -6.444 21.347 1.00 0.00 H new ATOM 1393 N THR A 91 13.153 -5.504 17.595 1.00 0.01 N ATOM 1394 CA THR A 91 13.588 -6.408 16.498 1.00 0.01 C ATOM 1395 C THR A 91 15.014 -6.878 16.792 1.00 0.01 C ATOM 1396 O THR A 91 15.361 -8.014 16.546 1.00 0.01 O ATOM 1397 CB THR A 91 13.555 -5.666 15.160 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.330 -4.954 15.045 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.657 -6.677 14.017 1.00 0.01 C ATOM 0 H THR A 91 12.945 -4.545 17.318 1.00 0.01 H new ATOM 0 HA THR A 91 12.915 -7.264 16.437 1.00 0.01 H new ATOM 0 HB THR A 91 14.391 -4.969 15.110 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.333 -4.196 15.666 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.634 -6.151 13.063 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.592 -7.231 14.103 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.818 -7.371 14.069 1.00 0.01 H new ATOM 1407 N SER A 92 15.844 -6.008 17.317 1.00 0.01 N ATOM 1408 CA SER A 92 17.251 -6.404 17.628 1.00 0.01 C ATOM 1409 C SER A 92 17.247 -7.560 18.635 1.00 0.01 C ATOM 1410 O SER A 92 18.022 -8.489 18.529 1.00 0.00 O ATOM 1411 CB SER A 92 18.003 -5.214 18.222 1.00 0.01 C ATOM 1412 OG SER A 92 17.580 -5.009 19.562 1.00 0.01 O ATOM 0 H SER A 92 15.606 -5.042 17.543 1.00 0.01 H new ATOM 0 HA SER A 92 17.746 -6.722 16.710 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.077 -5.397 18.192 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.816 -4.319 17.629 1.00 0.01 H new ATOM 0 HG SER A 92 16.724 -4.531 19.565 1.00 0.01 H new ATOM 1418 N ARG A 93 16.378 -7.518 19.609 1.00 0.01 N ATOM 1419 CA ARG A 93 16.328 -8.631 20.602 1.00 0.01 C ATOM 1420 C ARG A 93 15.776 -9.895 19.934 1.00 0.01 C ATOM 1421 O ARG A 93 16.137 -11.000 20.285 1.00 0.01 O ATOM 1422 CB ARG A 93 15.448 -8.243 21.796 1.00 0.00 C ATOM 1423 CG ARG A 93 16.182 -7.210 22.662 1.00 0.01 C ATOM 1424 CD ARG A 93 15.411 -6.977 23.965 1.00 0.01 C ATOM 1425 NE ARG A 93 14.135 -6.228 23.700 1.00 0.00 N ATOM 1426 CZ ARG A 93 14.131 -5.015 23.216 1.00 0.01 C ATOM 1427 NH1 ARG A 93 15.249 -4.387 22.985 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.995 -4.414 22.991 1.00 0.01 N ATOM 0 H ARG A 93 15.705 -6.767 19.760 1.00 0.01 H new ATOM 0 HA ARG A 93 17.338 -8.826 20.963 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.502 -7.832 21.445 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.211 -9.127 22.388 1.00 0.00 H new ATOM 0 HG2 ARG A 93 17.190 -7.560 22.884 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.283 -6.272 22.117 1.00 0.01 H new ATOM 0 HD2 ARG A 93 15.186 -7.934 24.436 1.00 0.01 H new ATOM 0 HD3 ARG A 93 16.030 -6.415 24.664 1.00 0.01 H new ATOM 0 HE ARG A 93 13.244 -6.681 23.905 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.140 -4.843 23.182 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.233 -3.440 22.607 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.117 -4.892 23.193 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.985 -3.467 22.613 1.00 0.01 H new ATOM 1442 N ASN A 94 14.894 -9.743 18.981 1.00 0.01 N ATOM 1443 CA ASN A 94 14.313 -10.940 18.300 1.00 0.01 C ATOM 1444 C ASN A 94 15.397 -11.679 17.511 1.00 0.01 C ATOM 1445 O ASN A 94 15.252 -12.842 17.185 1.00 0.01 O ATOM 1446 CB ASN A 94 13.205 -10.499 17.338 1.00 0.01 C ATOM 1447 CG ASN A 94 11.993 -10.005 18.130 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.842 -10.318 19.293 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.110 -9.247 17.537 1.00 0.01 N ATOM 0 H ASN A 94 14.551 -8.843 18.644 1.00 0.01 H new ATOM 0 HA ASN A 94 13.902 -11.607 19.057 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.572 -9.706 16.686 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.916 -11.331 16.696 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.293 -8.918 18.051 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.237 -8.984 16.560 1.00 0.01 H new ATOM 1456 N MET A 95 16.478 -11.023 17.193 1.00 0.01 N ATOM 1457 CA MET A 95 17.554 -11.703 16.417 1.00 0.01 C ATOM 1458 C MET A 95 18.063 -12.905 17.214 1.00 0.01 C ATOM 1459 O MET A 95 18.365 -13.945 16.665 1.00 0.01 O ATOM 1460 CB MET A 95 18.700 -10.727 16.158 1.00 0.01 C ATOM 1461 CG MET A 95 18.124 -9.421 15.610 1.00 0.01 C ATOM 1462 SD MET A 95 17.194 -9.742 14.091 1.00 0.01 S ATOM 1463 CE MET A 95 18.510 -9.340 12.920 1.00 0.01 C ATOM 0 H MET A 95 16.663 -10.050 17.435 1.00 0.01 H new ATOM 0 HA MET A 95 17.158 -12.042 15.460 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.250 -10.539 17.080 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.406 -11.155 15.447 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.474 -8.961 16.354 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.930 -8.714 15.410 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.090 -9.247 11.918 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.977 -8.398 13.207 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.258 -10.132 12.928 1.00 0.01 H new ATOM 1473 N LEU A 96 18.142 -12.779 18.511 1.00 0.01 N ATOM 1474 CA LEU A 96 18.604 -13.924 19.343 1.00 0.01 C ATOM 1475 C LEU A 96 17.588 -15.055 19.198 1.00 0.01 C ATOM 1476 O LEU A 96 17.930 -16.217 19.124 1.00 0.01 O ATOM 1477 CB LEU A 96 18.686 -13.498 20.814 1.00 0.01 C ATOM 1478 CG LEU A 96 19.880 -12.559 21.020 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.655 -11.240 20.262 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.044 -12.278 22.517 1.00 0.01 C ATOM 0 H LEU A 96 17.906 -11.933 19.029 1.00 0.01 H new ATOM 0 HA LEU A 96 19.591 -14.252 19.016 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.764 -12.997 21.109 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.789 -14.377 21.451 1.00 0.01 H new ATOM 0 HG LEU A 96 20.783 -13.032 20.634 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.510 -10.581 20.416 1.00 0.01 H new ATOM 0 HD12 LEU A 96 19.543 -11.447 19.198 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.752 -10.756 20.634 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.892 -11.610 22.671 1.00 0.01 H new ATOM 0 HD22 LEU A 96 19.138 -11.809 22.900 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.219 -13.215 23.046 1.00 0.01 H new ATOM 1492 N GLU A 97 16.330 -14.703 19.153 1.00 0.01 N ATOM 1493 CA GLU A 97 15.249 -15.721 19.009 1.00 0.01 C ATOM 1494 C GLU A 97 14.173 -15.159 18.067 1.00 0.01 C ATOM 1495 O GLU A 97 13.146 -14.684 18.509 1.00 0.01 O ATOM 1496 CB GLU A 97 14.631 -15.991 20.380 1.00 0.01 C ATOM 1497 CG GLU A 97 15.702 -16.550 21.318 1.00 0.01 C ATOM 1498 CD GLU A 97 15.038 -17.103 22.582 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.074 -16.507 23.032 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.508 -18.115 23.077 1.00 0.01 O ATOM 0 H GLU A 97 16.002 -13.739 19.211 1.00 0.01 H new ATOM 0 HA GLU A 97 15.654 -16.648 18.604 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.215 -15.071 20.792 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.808 -16.699 20.287 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.265 -17.337 20.816 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.414 -15.768 21.581 1.00 0.01 H new ATOM 1507 N PRO A 98 14.411 -15.192 16.774 1.00 0.01 N ATOM 1508 CA PRO A 98 13.431 -14.646 15.794 1.00 0.01 C ATOM 1509 C PRO A 98 12.111 -15.429 15.783 1.00 0.01 C ATOM 1510 O PRO A 98 12.098 -16.644 15.814 1.00 0.01 O ATOM 1511 CB PRO A 98 14.184 -14.782 14.451 1.00 0.00 C ATOM 1512 CG PRO A 98 15.608 -15.300 14.740 1.00 0.01 C ATOM 1513 CD PRO A 98 15.659 -15.768 16.202 1.00 0.01 C ATOM 0 HA PRO A 98 13.129 -13.624 16.025 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.658 -15.470 13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.227 -13.819 13.941 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.857 -16.122 14.069 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.342 -14.513 14.567 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.675 -16.855 16.279 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.547 -15.399 16.715 1.00 0.01 H new ATOM 1521 N THR A 99 11.007 -14.730 15.731 1.00 0.01 N ATOM 1522 CA THR A 99 9.666 -15.397 15.707 1.00 0.01 C ATOM 1523 C THR A 99 8.887 -14.892 14.492 1.00 0.01 C ATOM 1524 O THR A 99 9.306 -13.974 13.814 1.00 0.01 O ATOM 1525 CB THR A 99 8.896 -15.055 16.985 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.647 -13.658 17.027 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.718 -15.466 18.208 1.00 0.00 C ATOM 0 H THR A 99 10.975 -13.711 15.704 1.00 0.01 H new ATOM 0 HA THR A 99 9.793 -16.478 15.646 1.00 0.01 H new ATOM 0 HB THR A 99 7.949 -15.594 16.991 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.682 -13.500 17.093 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.167 -15.221 19.116 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.906 -16.539 18.176 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.668 -14.931 18.205 1.00 0.00 H new ATOM 1535 N ILE A 100 7.762 -15.481 14.201 1.00 0.00 N ATOM 1536 CA ILE A 100 6.974 -15.026 13.022 1.00 0.01 C ATOM 1537 C ILE A 100 6.381 -13.646 13.316 1.00 0.01 C ATOM 1538 O ILE A 100 5.948 -12.941 12.426 1.00 0.01 O ATOM 1539 CB ILE A 100 5.860 -16.044 12.726 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.274 -15.785 11.328 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.748 -15.923 13.772 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.288 -16.155 10.232 1.00 0.01 C ATOM 0 H ILE A 100 7.355 -16.255 14.726 1.00 0.00 H new ATOM 0 HA ILE A 100 7.619 -14.953 12.146 1.00 0.01 H new ATOM 0 HB ILE A 100 6.283 -17.048 12.763 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.362 -16.368 11.198 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.997 -14.735 11.234 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.963 -16.648 13.554 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.158 -16.118 14.763 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.330 -14.917 13.744 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.851 -15.963 9.252 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.189 -15.553 10.352 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.544 -17.211 10.315 1.00 0.01 H new ATOM 1554 N THR A 101 6.365 -13.252 14.563 1.00 0.00 N ATOM 1555 CA THR A 101 5.808 -11.915 14.926 1.00 0.01 C ATOM 1556 C THR A 101 6.947 -10.899 15.028 1.00 0.01 C ATOM 1557 O THR A 101 6.759 -9.780 15.463 1.00 0.01 O ATOM 1558 CB THR A 101 5.095 -12.012 16.274 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.016 -12.439 17.267 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.945 -13.013 16.172 1.00 0.01 C ATOM 0 H THR A 101 6.715 -13.801 15.348 1.00 0.00 H new ATOM 0 HA THR A 101 5.101 -11.595 14.160 1.00 0.01 H new ATOM 0 HB THR A 101 4.698 -11.034 16.548 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.559 -12.500 18.132 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.436 -13.082 17.134 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.239 -12.680 15.411 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.338 -13.992 15.898 1.00 0.01 H new ATOM 1568 N CYS A 102 8.126 -11.284 14.628 1.00 0.00 N ATOM 1569 CA CYS A 102 9.284 -10.350 14.699 1.00 0.00 C ATOM 1570 C CYS A 102 9.005 -9.109 13.843 1.00 0.01 C ATOM 1571 O CYS A 102 9.241 -7.992 14.258 1.00 0.01 O ATOM 1572 CB CYS A 102 10.534 -11.057 14.172 1.00 0.00 C ATOM 1573 SG CYS A 102 11.920 -9.896 14.146 1.00 0.01 S ATOM 0 H CYS A 102 8.339 -12.209 14.254 1.00 0.00 H new ATOM 0 HA CYS A 102 9.439 -10.045 15.734 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.774 -11.912 14.804 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.351 -11.443 13.169 1.00 0.00 H new ATOM 0 HG CYS A 102 12.172 -9.548 12.919 1.00 0.01 H new ATOM 1579 N PHE A 103 8.518 -9.298 12.641 1.00 0.00 N ATOM 1580 CA PHE A 103 8.236 -8.132 11.742 1.00 0.01 C ATOM 1581 C PHE A 103 6.757 -7.731 11.812 1.00 0.01 C ATOM 1582 O PHE A 103 6.364 -6.721 11.260 1.00 0.00 O ATOM 1583 CB PHE A 103 8.591 -8.517 10.302 1.00 0.00 C ATOM 1584 CG PHE A 103 10.092 -8.482 10.121 1.00 0.00 C ATOM 1585 CD1 PHE A 103 10.878 -9.555 10.551 1.00 0.01 C ATOM 1586 CD2 PHE A 103 10.694 -7.375 9.515 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.267 -9.521 10.375 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.081 -7.339 9.340 1.00 0.01 C ATOM 1589 CZ PHE A 103 12.868 -8.413 9.770 1.00 0.00 C ATOM 0 H PHE A 103 8.303 -10.211 12.241 1.00 0.00 H new ATOM 0 HA PHE A 103 8.838 -7.283 12.067 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.211 -9.514 10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.115 -7.829 9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.414 -10.411 11.019 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.087 -6.546 9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 103 12.874 -10.351 10.707 1.00 0.01 H new ATOM 0 HE2 PHE A 103 12.545 -6.483 8.873 1.00 0.01 H new ATOM 0 HZ PHE A 103 13.939 -8.386 9.635 1.00 0.00 H new ATOM 1599 N ASP A 104 5.934 -8.486 12.486 1.00 0.01 N ATOM 1600 CA ASP A 104 4.497 -8.095 12.574 1.00 0.01 C ATOM 1601 C ASP A 104 4.420 -6.722 13.237 1.00 0.00 C ATOM 1602 O ASP A 104 3.642 -5.874 12.847 1.00 0.01 O ATOM 1603 CB ASP A 104 3.712 -9.123 13.397 1.00 0.01 C ATOM 1604 CG ASP A 104 3.429 -10.368 12.548 1.00 0.01 C ATOM 1605 OD1 ASP A 104 3.614 -10.298 11.343 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.024 -11.369 13.115 1.00 0.00 O ATOM 0 H ASP A 104 6.188 -9.345 12.974 1.00 0.01 H new ATOM 0 HA ASP A 104 4.059 -8.059 11.577 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.280 -9.400 14.285 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.774 -8.686 13.741 1.00 0.01 H new ATOM 1611 N GLU A 105 5.228 -6.501 14.233 1.00 0.00 N ATOM 1612 CA GLU A 105 5.221 -5.184 14.922 1.00 0.00 C ATOM 1613 C GLU A 105 5.677 -4.109 13.939 1.00 0.00 C ATOM 1614 O GLU A 105 5.152 -3.018 13.911 1.00 0.01 O ATOM 1615 CB GLU A 105 6.200 -5.224 16.095 1.00 0.00 C ATOM 1616 CG GLU A 105 5.656 -6.141 17.186 1.00 0.00 C ATOM 1617 CD GLU A 105 6.647 -6.186 18.349 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.743 -5.678 18.185 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.293 -6.726 19.384 1.00 0.00 O ATOM 0 H GLU A 105 5.896 -7.179 14.601 1.00 0.00 H new ATOM 0 HA GLU A 105 4.217 -4.963 15.284 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.173 -5.581 15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.349 -4.220 16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.688 -5.779 17.532 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.498 -7.144 16.789 1.00 0.00 H new ATOM 1626 N ALA A 106 6.656 -4.410 13.133 1.00 0.00 N ATOM 1627 CA ALA A 106 7.153 -3.400 12.159 1.00 0.00 C ATOM 1628 C ALA A 106 6.088 -3.165 11.086 1.00 0.00 C ATOM 1629 O ALA A 106 5.797 -2.040 10.729 1.00 0.00 O ATOM 1630 CB ALA A 106 8.437 -3.918 11.507 1.00 0.00 C ATOM 0 H ALA A 106 7.133 -5.311 13.107 1.00 0.00 H new ATOM 0 HA ALA A 106 7.361 -2.462 12.673 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.805 -3.182 10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.192 -4.088 12.275 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.230 -4.854 10.989 1.00 0.00 H new ATOM 1636 N GLN A 107 5.485 -4.207 10.589 1.00 0.00 N ATOM 1637 CA GLN A 107 4.426 -4.019 9.560 1.00 0.00 C ATOM 1638 C GLN A 107 3.301 -3.176 10.159 1.00 0.00 C ATOM 1639 O GLN A 107 2.742 -2.315 9.511 1.00 0.00 O ATOM 1640 CB GLN A 107 3.876 -5.377 9.111 1.00 0.00 C ATOM 1641 CG GLN A 107 2.771 -5.159 8.072 1.00 0.00 C ATOM 1642 CD GLN A 107 2.410 -6.495 7.417 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.268 -7.318 7.171 1.00 0.00 O ATOM 1644 NE2 GLN A 107 1.164 -6.743 7.122 1.00 0.00 N ATOM 0 H GLN A 107 5.677 -5.175 10.848 1.00 0.00 H new ATOM 0 HA GLN A 107 4.848 -3.513 8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.676 -5.983 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.482 -5.924 9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.891 -4.726 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.105 -4.450 7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.444 -6.051 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.910 -7.629 6.684 1.00 0.00 H new ATOM 1653 N LYS A 108 2.970 -3.418 11.398 1.00 0.00 N ATOM 1654 CA LYS A 108 1.882 -2.632 12.045 1.00 0.00 C ATOM 1655 C LYS A 108 2.267 -1.154 12.038 1.00 0.00 C ATOM 1656 O LYS A 108 1.450 -0.292 11.779 1.00 0.00 O ATOM 1657 CB LYS A 108 1.707 -3.115 13.490 1.00 0.00 C ATOM 1658 CG LYS A 108 0.504 -2.421 14.133 1.00 0.00 C ATOM 1659 CD LYS A 108 0.348 -2.912 15.575 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.888 -2.269 16.209 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.062 -2.457 15.311 1.00 0.00 N ATOM 0 H LYS A 108 3.406 -4.125 11.990 1.00 0.00 H new ATOM 0 HA LYS A 108 0.946 -2.767 11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.565 -4.196 13.506 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.609 -2.903 14.064 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.642 -1.340 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.401 -2.635 13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.254 -3.998 15.591 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.237 -2.661 16.153 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.086 -2.718 17.182 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.712 -1.207 16.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.939 -2.372 15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.050 -1.731 14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.018 -3.400 14.875 1.00 0.00 H new ATOM 1675 N LYS A 109 3.507 -0.850 12.310 1.00 0.01 N ATOM 1676 CA LYS A 109 3.937 0.576 12.306 1.00 0.00 C ATOM 1677 C LYS A 109 3.882 1.125 10.878 1.00 0.00 C ATOM 1678 O LYS A 109 3.457 2.240 10.653 1.00 0.00 O ATOM 1679 CB LYS A 109 5.370 0.677 12.825 1.00 0.00 C ATOM 1680 CG LYS A 109 5.451 0.201 14.282 1.00 0.00 C ATOM 1681 CD LYS A 109 4.757 1.199 15.220 1.00 0.01 C ATOM 1682 CE LYS A 109 5.259 0.984 16.651 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.444 1.799 17.595 1.00 0.01 N ATOM 0 H LYS A 109 4.238 -1.525 12.534 1.00 0.01 H new ATOM 0 HA LYS A 109 3.271 1.154 12.947 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.031 0.074 12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.717 1.708 12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.983 -0.779 14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.495 0.085 14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.963 2.220 14.900 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.676 1.064 15.178 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.193 -0.071 16.915 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.309 1.266 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.346 1.291 18.497 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.914 2.712 17.761 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.502 1.964 17.187 1.00 0.01 H new ATOM 1697 N ILE A 110 4.297 0.353 9.902 1.00 0.00 N ATOM 1698 CA ILE A 110 4.244 0.861 8.503 1.00 0.00 C ATOM 1699 C ILE A 110 2.781 0.968 8.087 1.00 0.00 C ATOM 1700 O ILE A 110 2.361 1.951 7.509 1.00 0.00 O ATOM 1701 CB ILE A 110 4.986 -0.090 7.551 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.467 -0.223 7.962 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.891 0.451 6.120 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.132 1.158 8.076 1.00 0.00 C ATOM 0 H ILE A 110 4.664 -0.592 10.014 1.00 0.00 H new ATOM 0 HA ILE A 110 4.728 1.837 8.451 1.00 0.00 H new ATOM 0 HB ILE A 110 4.524 -1.076 7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.538 -0.745 8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.999 -0.828 7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.416 -0.221 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.844 0.519 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.345 1.441 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.175 1.036 8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.081 1.667 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.612 1.751 8.828 1.00 0.00 H new ATOM 1716 N PHE A 111 1.989 -0.023 8.399 1.00 0.00 N ATOM 1717 CA PHE A 111 0.551 0.053 8.040 1.00 0.00 C ATOM 1718 C PHE A 111 -0.061 1.278 8.731 1.00 0.00 C ATOM 1719 O PHE A 111 -0.710 2.091 8.114 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.164 -1.238 8.513 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.442 -2.148 7.333 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.606 -2.565 6.508 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.754 -2.561 7.060 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.344 -3.391 5.410 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.016 -3.388 5.967 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.971 -3.803 5.139 1.00 0.00 C ATOM 0 H PHE A 111 2.276 -0.874 8.883 1.00 0.00 H new ATOM 0 HA PHE A 111 0.433 0.146 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.455 -1.758 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.099 -0.982 9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.617 -2.250 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.564 -2.238 7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.153 -3.712 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.027 -3.707 5.761 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.174 -4.440 4.291 1.00 0.00 H new ATOM 1736 N ASN A 112 0.144 1.415 10.008 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.430 2.588 10.720 1.00 0.00 C ATOM 1738 C ASN A 112 0.206 3.871 10.185 1.00 0.00 C ATOM 1739 O ASN A 112 -0.454 4.871 9.990 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.137 2.465 12.216 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.947 1.310 12.811 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.675 0.869 13.909 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.935 0.794 12.130 1.00 0.00 N ATOM 0 H ASN A 112 0.681 0.770 10.588 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.507 2.620 10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.928 2.294 12.374 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.389 3.397 12.723 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.476 0.023 12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.166 1.163 11.207 1.00 0.00 H new ATOM 1750 N LEU A 113 1.490 3.847 9.954 1.00 0.00 N ATOM 1751 CA LEU A 113 2.182 5.063 9.441 1.00 0.00 C ATOM 1752 C LEU A 113 1.671 5.405 8.041 1.00 0.00 C ATOM 1753 O LEU A 113 1.214 6.502 7.787 1.00 0.00 O ATOM 1754 CB LEU A 113 3.690 4.795 9.390 1.00 0.00 C ATOM 1755 CG LEU A 113 4.457 6.055 8.900 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.756 6.218 9.697 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.815 5.927 7.411 1.00 0.00 C ATOM 0 H LEU A 113 2.091 3.036 10.099 1.00 0.00 H new ATOM 0 HA LEU A 113 1.979 5.904 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.047 4.508 10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.893 3.957 8.723 1.00 0.00 H new ATOM 0 HG LEU A 113 3.812 6.921 9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.288 7.103 9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.522 6.329 10.756 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.383 5.338 9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.351 6.819 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.446 5.051 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.902 5.820 6.825 1.00 0.00 H new ATOM 1769 N MET A 114 1.747 4.475 7.125 1.00 0.00 N ATOM 1770 CA MET A 114 1.266 4.756 5.742 1.00 0.00 C ATOM 1771 C MET A 114 -0.248 4.999 5.776 1.00 0.00 C ATOM 1772 O MET A 114 -0.763 5.851 5.080 1.00 0.00 O ATOM 1773 CB MET A 114 1.611 3.568 4.820 1.00 0.00 C ATOM 1774 CG MET A 114 0.667 2.389 5.085 1.00 0.00 C ATOM 1775 SD MET A 114 1.454 0.838 4.557 1.00 0.00 S ATOM 1776 CE MET A 114 1.433 1.128 2.769 1.00 0.00 C ATOM 0 H MET A 114 2.120 3.537 7.275 1.00 0.00 H new ATOM 0 HA MET A 114 1.757 5.647 5.350 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.534 3.875 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.643 3.259 4.986 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.421 2.340 6.146 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.270 2.534 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.519 0.176 2.245 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.497 1.612 2.490 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.270 1.770 2.495 1.00 0.00 H new ATOM 1786 N GLU A 115 -0.967 4.253 6.580 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.444 4.447 6.646 1.00 0.00 C ATOM 1788 C GLU A 115 -2.771 5.879 7.098 1.00 0.00 C ATOM 1789 O GLU A 115 -3.569 6.568 6.502 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.065 3.446 7.626 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.589 3.630 7.658 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.201 2.610 8.618 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.476 1.731 9.057 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.382 2.722 8.894 1.00 0.01 O ATOM 0 H GLU A 115 -0.595 3.524 7.188 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.860 4.281 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.818 2.428 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.650 3.594 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.838 4.642 7.977 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.004 3.500 6.658 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.174 6.332 8.160 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.468 7.715 8.641 1.00 0.00 C ATOM 1803 C LYS A 116 -1.800 8.744 7.727 1.00 0.01 C ATOM 1804 O LYS A 116 -2.237 9.872 7.629 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.927 7.897 10.065 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.597 6.918 11.040 1.00 0.00 C ATOM 1807 CD LYS A 116 -4.058 7.321 11.291 1.00 0.00 C ATOM 1808 CE LYS A 116 -4.602 6.545 12.494 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.712 5.100 12.145 1.00 0.00 N ATOM 0 H LYS A 116 -1.497 5.811 8.717 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.548 7.863 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.848 7.740 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.101 8.921 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.557 5.907 10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.051 6.904 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.124 8.393 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.661 7.112 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.942 6.674 13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.578 6.936 12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.175 4.589 12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.276 4.994 11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.762 4.707 11.990 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.715 8.381 7.095 1.00 0.00 N ATOM 1824 CA ASP A 117 0.016 9.354 6.229 1.00 0.00 C ATOM 1825 C ASP A 117 -0.449 9.310 4.763 1.00 0.00 C ATOM 1826 O ASP A 117 -1.170 10.174 4.304 1.00 0.00 O ATOM 1827 CB ASP A 117 1.507 9.031 6.288 1.00 0.00 C ATOM 1828 CG ASP A 117 2.299 10.113 5.553 1.00 0.00 C ATOM 1829 OD1 ASP A 117 1.704 10.815 4.752 1.00 0.00 O ATOM 1830 OD2 ASP A 117 3.488 10.221 5.805 1.00 0.00 O ATOM 0 H ASP A 117 -0.302 7.450 7.141 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.192 10.356 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.835 8.969 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.696 8.058 5.835 1.00 0.00 H new ATOM 1835 N SER A 118 0.012 8.343 4.011 1.00 0.00 N ATOM 1836 CA SER A 118 -0.340 8.279 2.556 1.00 0.00 C ATOM 1837 C SER A 118 -1.850 8.167 2.322 1.00 0.00 C ATOM 1838 O SER A 118 -2.387 8.832 1.469 1.00 0.01 O ATOM 1839 CB SER A 118 0.349 7.071 1.918 1.00 0.00 C ATOM 1840 OG SER A 118 -0.220 5.876 2.438 1.00 0.00 O ATOM 0 H SER A 118 0.619 7.592 4.341 1.00 0.00 H new ATOM 0 HA SER A 118 0.001 9.209 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.232 7.102 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.419 7.097 2.124 1.00 0.00 H new ATOM 0 HG SER A 118 -0.299 5.948 3.412 1.00 0.00 H new ATOM 1846 N TYR A 119 -2.539 7.328 3.040 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.013 7.174 2.800 1.00 0.00 C ATOM 1848 C TYR A 119 -4.718 8.536 2.883 1.00 0.01 C ATOM 1849 O TYR A 119 -5.501 8.883 2.023 1.00 0.01 O ATOM 1850 CB TYR A 119 -4.587 6.205 3.856 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.282 5.027 3.208 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.545 4.150 2.409 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.649 4.805 3.419 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.170 3.051 1.823 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.275 3.702 2.826 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.531 2.825 2.028 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.127 1.728 1.449 1.00 0.00 O ATOM 0 H TYR A 119 -2.155 6.741 3.781 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.181 6.772 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -3.782 5.846 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.291 6.737 4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.492 4.323 2.245 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.218 5.483 4.037 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.598 2.372 1.208 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.329 3.528 2.984 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.099 1.852 1.437 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.459 9.307 3.900 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.136 10.627 3.994 1.00 0.01 C ATOM 1869 C ARG A 120 -4.713 11.460 2.790 1.00 0.00 C ATOM 1870 O ARG A 120 -5.508 12.150 2.179 1.00 0.00 O ATOM 1871 CB ARG A 120 -4.753 11.324 5.300 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.395 10.571 6.469 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.115 11.307 7.780 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.822 12.619 7.784 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.012 13.252 8.911 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -5.625 12.720 10.036 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.597 14.418 8.916 1.00 0.01 N ATOM 0 H ARG A 120 -3.817 9.084 4.660 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.219 10.501 3.993 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.669 11.343 5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.091 12.360 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.470 10.487 6.312 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.000 9.556 6.520 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -5.446 10.703 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -4.043 11.461 7.899 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.157 13.022 6.909 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -5.172 11.806 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.775 13.217 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -6.907 14.837 8.039 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -6.745 14.911 9.797 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.466 11.374 2.425 1.00 0.00 N ATOM 1892 CA ARG A 121 -2.983 12.127 1.239 1.00 0.01 C ATOM 1893 C ARG A 121 -3.604 11.487 -0.007 1.00 0.01 C ATOM 1894 O ARG A 121 -3.997 12.162 -0.938 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.457 12.024 1.154 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.793 12.822 2.292 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.748 14.322 1.961 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.262 14.546 0.554 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.874 14.052 0.130 1.00 0.01 C ATOM 1900 NH1 ARG A 121 1.718 13.509 0.963 1.00 0.00 N ATOM 1901 NH2 ARG A 121 1.186 14.159 -1.134 1.00 0.01 N ATOM 0 H ARG A 121 -2.759 10.812 2.899 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.264 13.177 1.313 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.154 10.978 1.212 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.115 12.402 0.191 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.345 12.667 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.219 12.452 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.741 14.755 2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.090 14.834 2.663 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.833 15.098 -0.086 1.00 0.01 H new ATOM 0 HH11 ARG A 121 1.496 13.466 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.600 13.128 0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.547 14.624 -1.779 1.00 0.01 H new ATOM 0 HH22 ARG A 121 2.068 13.778 -1.476 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.690 10.179 -0.024 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.274 9.471 -1.192 1.00 0.01 C ATOM 1917 C PHE A 122 -5.703 9.952 -1.411 1.00 0.01 C ATOM 1918 O PHE A 122 -6.088 10.294 -2.498 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.289 7.959 -0.901 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.016 7.189 -2.158 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.700 6.923 -2.498 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.064 6.747 -2.974 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.405 6.208 -3.657 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.776 6.030 -4.140 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.446 5.759 -4.482 1.00 0.00 C ATOM 0 H PHE A 122 -3.376 9.571 0.732 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.680 9.674 -2.083 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.539 7.718 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.257 7.669 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.899 7.271 -1.862 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.088 6.958 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.378 6.000 -3.919 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.579 5.686 -4.775 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.222 5.204 -5.381 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.493 9.978 -0.379 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.898 10.431 -0.547 1.00 0.00 C ATOM 1937 C LEU A 123 -7.891 11.862 -1.077 1.00 0.01 C ATOM 1938 O LEU A 123 -8.735 12.242 -1.864 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.625 10.386 0.805 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.746 8.936 1.306 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.425 8.937 2.682 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.585 8.102 0.317 1.00 0.01 C ATOM 0 H LEU A 123 -6.230 9.707 0.568 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.415 9.776 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.082 10.985 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.617 10.826 0.706 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.752 8.496 1.383 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.515 7.913 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.826 9.519 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.417 9.380 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.664 7.078 0.681 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.582 8.535 0.230 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.103 8.103 -0.661 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.948 12.663 -0.656 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.892 14.074 -1.137 1.00 0.01 C ATOM 1956 C LYS A 124 -5.892 14.183 -2.294 1.00 0.01 C ATOM 1957 O LYS A 124 -5.591 15.263 -2.764 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.443 14.975 0.012 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.443 14.849 1.161 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.036 15.785 2.296 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.034 15.646 3.445 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.555 16.430 4.617 1.00 0.01 N ATOM 0 H LYS A 124 -6.213 12.400 0.001 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.878 14.383 -1.484 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.446 14.689 0.347 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.382 16.011 -0.323 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.446 15.097 0.813 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.475 13.820 1.518 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.031 15.542 2.640 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.012 16.816 1.942 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.016 16.002 3.133 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.147 14.597 3.718 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.234 16.335 5.399 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -6.627 16.071 4.919 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.469 17.432 4.353 1.00 0.01 H new ATOM 1976 N SER A 125 -5.372 13.078 -2.762 1.00 0.00 N ATOM 1977 CA SER A 125 -4.392 13.138 -3.886 1.00 0.01 C ATOM 1978 C SER A 125 -5.119 13.381 -5.207 1.00 0.01 C ATOM 1979 O SER A 125 -6.309 13.175 -5.324 1.00 0.01 O ATOM 1980 CB SER A 125 -3.622 11.824 -3.981 1.00 0.01 C ATOM 1981 OG SER A 125 -4.538 10.759 -4.195 1.00 0.01 O ATOM 0 H SER A 125 -5.582 12.142 -2.416 1.00 0.00 H new ATOM 0 HA SER A 125 -3.699 13.957 -3.694 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.902 11.869 -4.798 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.056 11.654 -3.065 1.00 0.01 H new ATOM 0 HG SER A 125 -5.267 10.818 -3.543 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.400 13.818 -6.203 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.028 14.080 -7.525 1.00 0.01 C ATOM 1989 C ARG A 126 -5.437 12.753 -8.178 1.00 0.00 C ATOM 1990 O ARG A 126 -6.485 12.649 -8.783 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.008 14.793 -8.424 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.591 16.136 -7.799 1.00 0.01 C ATOM 1993 CD ARG A 126 -4.809 17.052 -7.628 1.00 0.01 C ATOM 1994 NE ARG A 126 -5.735 16.874 -8.778 1.00 0.00 N ATOM 1995 CZ ARG A 126 -6.973 17.273 -8.689 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -7.392 17.869 -7.606 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -7.792 17.073 -9.683 1.00 0.01 N ATOM 0 H ARG A 126 -3.398 14.006 -6.156 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.913 14.702 -7.393 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.131 14.161 -8.563 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.439 14.962 -9.411 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.121 15.963 -6.831 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.849 16.623 -8.431 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -5.323 16.819 -6.695 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -4.488 18.092 -7.564 1.00 0.01 H new ATOM 0 HE ARG A 126 -5.401 16.439 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.751 18.023 -6.828 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -8.361 18.181 -7.538 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -7.464 16.605 -10.528 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -8.761 17.384 -9.616 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.624 11.739 -8.061 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.981 10.427 -8.681 1.00 0.01 C ATOM 2013 C PHE A 127 -6.286 9.913 -8.078 1.00 0.01 C ATOM 2014 O PHE A 127 -7.198 9.528 -8.779 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.865 9.416 -8.415 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.599 9.881 -9.086 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.712 10.716 -8.397 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -2.309 9.477 -10.393 1.00 0.01 C ATOM 2019 CE1 PHE A 127 -0.536 11.153 -9.017 1.00 0.00 C ATOM 2020 CE2 PHE A 127 -1.132 9.911 -11.015 1.00 0.01 C ATOM 2021 CZ PHE A 127 -0.247 10.750 -10.326 1.00 0.00 C ATOM 0 H PHE A 127 -3.732 11.759 -7.566 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.105 10.558 -9.756 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.703 9.310 -7.342 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.151 8.434 -8.793 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.935 11.023 -7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -2.993 8.830 -10.923 1.00 0.01 H new ATOM 0 HE1 PHE A 127 0.147 11.800 -8.487 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.907 9.599 -12.024 1.00 0.01 H new ATOM 0 HZ PHE A 127 0.660 11.087 -10.806 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.383 9.899 -6.780 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.631 9.411 -6.137 1.00 0.01 C ATOM 2033 C TYR A 128 -8.803 10.271 -6.597 1.00 0.01 C ATOM 2034 O TYR A 128 -9.831 9.774 -7.010 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.482 9.514 -4.624 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.751 9.051 -3.948 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.932 7.696 -3.639 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.741 9.984 -3.622 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.110 7.276 -3.009 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.916 9.563 -2.993 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.103 8.210 -2.686 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.267 7.796 -2.067 1.00 0.01 O ATOM 0 H TYR A 128 -5.652 10.204 -6.137 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.813 8.373 -6.417 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.640 8.907 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.264 10.544 -4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.165 6.977 -3.886 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.598 11.029 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.253 6.232 -2.772 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.681 10.283 -2.743 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.848 8.570 -1.913 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.652 11.561 -6.525 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.754 12.459 -6.959 1.00 0.01 C ATOM 2054 C LEU A 129 -10.034 12.245 -8.450 1.00 0.01 C ATOM 2055 O LEU A 129 -11.167 12.081 -8.857 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.349 13.917 -6.706 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.261 14.181 -5.191 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.530 15.504 -4.950 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.669 14.265 -4.572 1.00 0.01 C ATOM 0 H LEU A 129 -7.814 12.032 -6.185 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.657 12.232 -6.392 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.388 14.123 -7.176 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.077 14.590 -7.160 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.718 13.359 -4.724 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.466 15.694 -3.879 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.525 15.446 -5.369 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.077 16.315 -5.430 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.585 14.452 -3.501 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.224 15.078 -5.040 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.195 13.325 -4.736 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.019 12.242 -9.270 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.252 12.033 -10.727 1.00 0.91 C ATOM 2073 C ASP A 130 -9.869 10.651 -10.952 1.00 1.05 C ATOM 2074 O ASP A 130 -10.795 10.492 -11.721 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.920 12.135 -11.477 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.422 13.581 -11.446 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.185 14.442 -11.041 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -6.282 13.803 -11.821 1.00 3.77 O ATOM 0 H ASP A 130 -8.045 12.374 -8.997 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.934 12.796 -11.101 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.182 11.476 -11.019 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.046 11.805 -12.508 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.362 9.650 -10.286 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.920 8.282 -10.462 1.00 1.68 C ATOM 2085 C LEU A 131 -11.299 8.193 -9.793 1.00 2.00 C ATOM 2086 O LEU A 131 -12.161 7.454 -10.225 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.973 7.254 -9.836 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.657 7.188 -10.628 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.687 6.242 -9.913 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.914 6.685 -12.066 1.00 3.54 C ATOM 0 H LEU A 131 -8.586 9.721 -9.628 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.025 8.072 -11.526 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.768 7.522 -8.799 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.447 6.273 -9.824 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.225 8.187 -10.685 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.752 6.191 -10.470 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.491 6.614 -8.907 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.128 5.247 -9.852 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.971 6.645 -12.611 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.355 5.689 -12.030 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.598 7.366 -12.573 1.00 3.54 H new ATOM 2102 N THR A 132 -11.511 8.932 -8.732 1.00 2.68 N ATOM 2103 CA THR A 132 -12.830 8.878 -8.027 1.00 3.30 C ATOM 2104 C THR A 132 -13.749 9.991 -8.541 1.00 3.72 C ATOM 2105 O THR A 132 -14.178 10.853 -7.799 1.00 3.94 O ATOM 2106 CB THR A 132 -12.617 9.061 -6.516 1.00 3.80 C ATOM 2107 OG1 THR A 132 -12.066 10.348 -6.272 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.659 7.980 -5.960 1.00 4.63 C ATOM 0 H THR A 132 -10.828 9.570 -8.323 1.00 2.68 H new ATOM 0 HA THR A 132 -13.291 7.910 -8.221 1.00 3.30 H new ATOM 0 HB THR A 132 -13.580 8.963 -6.014 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.117 10.260 -6.043 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.524 8.130 -4.889 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.083 6.992 -6.137 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.694 8.056 -6.462 1.00 4.63 H new