USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1053 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 45 CYS SG : rot 135:sc= -2.46 USER MOD Set 1.2: A 69 CYS SG : rot 140:sc= -0.308 USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= -0.305 F(o=-2.1,f=-1.1) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.748 K(o=-1.1,f=-2.1) USER MOD Set 3.1: A 20 TYR OH : rot 70:sc= -0.0181 USER MOD Set 3.2: A 31 MET CE :methyl -174:sc= -3.95! (180deg=-3.84!) USER MOD Set 4.1: A 19 CYS SG : rot -101:sc= 0.593 USER MOD Set 4.2: A 80 TYR OH : rot -110:sc= 0.734 USER MOD Set 4.3: A 86 CYS SG : rot 101:sc= -1.86 USER MOD Set 4.4: A 89 GLN : amide:sc= -3.88! X(o=-3.3!,f=-3.2) USER MOD Set 4.5: A 90 THR OG1 : rot 89:sc= 1.14 USER MOD Single : A 10 MET CE :methyl 171:sc= -1.82 (180deg=-2.01) USER MOD Single : A 21 CYS SG : rot 20:sc= 0.038 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.33) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.501 F(o=-1.1,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.284 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -119:sc= -1.55 (180deg=-6.97!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.2) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -50:sc= 1.11 USER MOD Single : A 97 SER OG : rot 180:sc= -0.317 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.237 F(o=-0.94,f=-0.24) USER MOD Single : A 102 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.34) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 138:sc= 0.686 (180deg=-0.0461) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00703) USER MOD Single : A 113 MET CE :methyl -117:sc= -5.74 (180deg=-13.2!) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc=-0.00877 (180deg=-0.207) USER MOD Single : A 115 LYS NZ :NH3+ -156:sc= -1.51! (180deg=-2.86!) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0943 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot -86:sc= -0.74 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -7.156 -10.953 -12.764 1.00 0.00 N ATOM 20 CA MET A 10 -7.023 -11.270 -11.347 1.00 0.00 C ATOM 21 C MET A 10 -6.316 -12.609 -11.148 1.00 0.00 C ATOM 22 O MET A 10 -6.961 -13.631 -10.915 1.00 0.00 O ATOM 23 CB MET A 10 -8.400 -11.305 -10.679 1.00 0.00 C ATOM 24 CG MET A 10 -8.341 -11.525 -9.175 1.00 0.00 C ATOM 25 SD MET A 10 -9.940 -11.981 -8.477 1.00 0.00 S ATOM 26 CE MET A 10 -10.180 -10.661 -7.292 1.00 0.00 C ATOM 0 HA MET A 10 -6.419 -10.490 -10.884 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.916 -10.367 -10.881 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.994 -12.099 -11.131 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.616 -12.308 -8.954 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.984 -10.615 -8.692 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.193 -10.710 -6.893 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.463 -10.768 -6.478 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.030 -9.700 -7.783 1.00 0.00 H new ATOM 36 N PRO A 11 -4.975 -12.620 -11.234 1.00 0.00 N ATOM 37 CA PRO A 11 -4.182 -13.842 -11.059 1.00 0.00 C ATOM 38 C PRO A 11 -4.343 -14.439 -9.666 1.00 0.00 C ATOM 39 O PRO A 11 -5.144 -13.960 -8.863 1.00 0.00 O ATOM 40 CB PRO A 11 -2.739 -13.375 -11.278 1.00 0.00 C ATOM 41 CG PRO A 11 -2.768 -11.902 -11.054 1.00 0.00 C ATOM 42 CD PRO A 11 -4.126 -11.447 -11.505 1.00 0.00 C ATOM 0 HA PRO A 11 -4.494 -14.629 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.057 -13.866 -10.584 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.396 -13.614 -12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.604 -11.663 -10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.981 -11.405 -11.620 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.462 -10.569 -10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.132 -11.180 -12.562 1.00 0.00 H new ATOM 50 N GLU A 12 -3.575 -15.487 -9.384 1.00 0.00 N ATOM 51 CA GLU A 12 -3.633 -16.151 -8.088 1.00 0.00 C ATOM 52 C GLU A 12 -2.570 -15.598 -7.143 1.00 0.00 C ATOM 53 O GLU A 12 -2.731 -15.633 -5.924 1.00 0.00 O ATOM 54 CB GLU A 12 -3.447 -17.659 -8.257 1.00 0.00 C ATOM 55 CG GLU A 12 -4.556 -18.322 -9.060 1.00 0.00 C ATOM 56 CD GLU A 12 -5.301 -19.378 -8.266 1.00 0.00 C ATOM 57 OE1 GLU A 12 -4.817 -20.528 -8.206 1.00 0.00 O ATOM 58 OE2 GLU A 12 -6.370 -19.054 -7.706 1.00 0.00 O ATOM 0 H GLU A 12 -2.905 -15.894 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.614 -15.959 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.492 -17.846 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.395 -18.123 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.261 -17.561 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.130 -18.778 -9.953 1.00 0.00 H new ATOM 65 N ARG A 13 -1.482 -15.088 -7.713 1.00 0.00 N ATOM 66 CA ARG A 13 -0.394 -14.530 -6.916 1.00 0.00 C ATOM 67 C ARG A 13 -0.245 -13.032 -7.168 1.00 0.00 C ATOM 68 O ARG A 13 -0.092 -12.596 -8.309 1.00 0.00 O ATOM 69 CB ARG A 13 0.920 -15.245 -7.239 1.00 0.00 C ATOM 70 CG ARG A 13 0.877 -16.742 -6.977 1.00 0.00 C ATOM 71 CD ARG A 13 1.530 -17.096 -5.650 1.00 0.00 C ATOM 72 NE ARG A 13 2.986 -17.145 -5.752 1.00 0.00 N ATOM 73 CZ ARG A 13 3.805 -17.094 -4.705 1.00 0.00 C ATOM 74 NH1 ARG A 13 3.315 -16.991 -3.475 1.00 0.00 N ATOM 75 NH2 ARG A 13 5.118 -17.144 -4.887 1.00 0.00 N ATOM 0 H ARG A 13 -1.330 -15.050 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.635 -14.681 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.169 -15.075 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.720 -14.803 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.158 -17.082 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.385 -17.268 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.244 -16.361 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.158 -18.062 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 13 3.399 -17.223 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.306 -16.951 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.947 -16.952 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.500 -17.222 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.746 -17.105 -4.084 1.00 0.00 H new ATOM 89 N PHE A 14 -0.289 -12.251 -6.094 1.00 0.00 N ATOM 90 CA PHE A 14 -0.158 -10.802 -6.196 1.00 0.00 C ATOM 91 C PHE A 14 1.041 -10.309 -5.392 1.00 0.00 C ATOM 92 O PHE A 14 1.546 -11.014 -4.518 1.00 0.00 O ATOM 93 CB PHE A 14 -1.433 -10.116 -5.701 1.00 0.00 C ATOM 94 CG PHE A 14 -2.667 -10.537 -6.447 1.00 0.00 C ATOM 95 CD1 PHE A 14 -3.067 -9.862 -7.588 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.428 -11.607 -6.005 1.00 0.00 C ATOM 97 CE1 PHE A 14 -4.202 -10.247 -8.276 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.564 -11.997 -6.688 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.952 -11.315 -7.825 1.00 0.00 C ATOM 0 H PHE A 14 -0.414 -12.597 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.002 -10.549 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.566 -10.335 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.314 -9.036 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.485 -9.025 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.130 -12.143 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.502 -9.713 -9.166 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.148 -12.834 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.840 -11.617 -8.360 1.00 0.00 H new ATOM 109 N ASP A 15 1.493 -9.096 -5.693 1.00 0.00 N ATOM 110 CA ASP A 15 2.635 -8.515 -4.997 1.00 0.00 C ATOM 111 C ASP A 15 2.195 -7.823 -3.711 1.00 0.00 C ATOM 112 O ASP A 15 2.506 -8.283 -2.613 1.00 0.00 O ATOM 113 CB ASP A 15 3.362 -7.520 -5.905 1.00 0.00 C ATOM 114 CG ASP A 15 4.709 -7.105 -5.344 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.613 -7.963 -5.275 1.00 0.00 O ATOM 116 OD2 ASP A 15 4.858 -5.920 -4.976 1.00 0.00 O ATOM 0 H ASP A 15 1.087 -8.498 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 15 3.319 -9.323 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.503 -7.966 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.740 -6.635 -6.042 1.00 0.00 H new ATOM 121 N ALA A 16 1.472 -6.715 -3.851 1.00 0.00 N ATOM 122 CA ALA A 16 1.001 -5.970 -2.690 1.00 0.00 C ATOM 123 C ALA A 16 -0.410 -5.435 -2.899 1.00 0.00 C ATOM 124 O ALA A 16 -0.988 -5.573 -3.976 1.00 0.00 O ATOM 125 CB ALA A 16 1.956 -4.827 -2.370 1.00 0.00 C ATOM 0 H ALA A 16 1.202 -6.317 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 16 0.973 -6.659 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.591 -4.280 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.946 -5.229 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.015 -4.153 -3.224 1.00 0.00 H new ATOM 131 N PHE A 17 -0.955 -4.818 -1.855 1.00 0.00 N ATOM 132 CA PHE A 17 -2.296 -4.252 -1.913 1.00 0.00 C ATOM 133 C PHE A 17 -2.248 -2.733 -1.784 1.00 0.00 C ATOM 134 O PHE A 17 -1.334 -2.183 -1.168 1.00 0.00 O ATOM 135 CB PHE A 17 -3.173 -4.844 -0.808 1.00 0.00 C ATOM 136 CG PHE A 17 -4.594 -4.358 -0.845 1.00 0.00 C ATOM 137 CD1 PHE A 17 -4.970 -3.218 -0.154 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.555 -5.045 -1.571 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.277 -2.769 -0.187 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.863 -4.601 -1.608 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.224 -3.463 -0.914 1.00 0.00 C ATOM 0 H PHE A 17 -0.486 -4.698 -0.957 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.729 -4.504 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.167 -5.931 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.738 -4.598 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.233 -2.673 0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.278 -5.937 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.557 -1.877 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.602 -5.143 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.246 -3.116 -0.940 1.00 0.00 H new ATOM 151 N ILE A 18 -3.231 -2.062 -2.371 1.00 0.00 N ATOM 152 CA ILE A 18 -3.298 -0.607 -2.325 1.00 0.00 C ATOM 153 C ILE A 18 -4.513 -0.135 -1.533 1.00 0.00 C ATOM 154 O ILE A 18 -5.642 -0.182 -2.021 1.00 0.00 O ATOM 155 CB ILE A 18 -3.340 0.001 -3.749 1.00 0.00 C ATOM 156 CG1 ILE A 18 -1.939 -0.004 -4.362 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.907 1.418 -3.734 1.00 0.00 C ATOM 158 CD1 ILE A 18 -1.017 1.038 -3.765 1.00 0.00 C ATOM 0 H ILE A 18 -3.994 -2.503 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.394 -0.262 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.001 -0.614 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.495 -0.991 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.020 0.166 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.922 1.815 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.922 1.400 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.283 2.053 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.041 0.978 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.439 2.031 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.907 0.856 -2.696 1.00 0.00 H new ATOM 170 N CYS A 19 -4.269 0.337 -0.318 1.00 0.00 N ATOM 171 CA CYS A 19 -5.336 0.840 0.533 1.00 0.00 C ATOM 172 C CYS A 19 -5.275 2.361 0.594 1.00 0.00 C ATOM 173 O CYS A 19 -4.512 2.930 1.378 1.00 0.00 O ATOM 174 CB CYS A 19 -5.225 0.250 1.941 1.00 0.00 C ATOM 175 SG CYS A 19 -6.811 -0.202 2.680 1.00 0.00 S ATOM 0 H CYS A 19 -3.340 0.382 0.100 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.293 0.538 0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.589 -0.634 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.728 0.973 2.588 1.00 0.00 H new ATOM 0 HG CYS A 19 -7.172 0.715 3.528 1.00 0.00 H new ATOM 181 N TYR A 20 -6.069 3.013 -0.245 1.00 0.00 N ATOM 182 CA TYR A 20 -6.092 4.469 -0.297 1.00 0.00 C ATOM 183 C TYR A 20 -7.517 5.002 -0.227 1.00 0.00 C ATOM 184 O TYR A 20 -8.481 4.239 -0.248 1.00 0.00 O ATOM 185 CB TYR A 20 -5.426 4.967 -1.582 1.00 0.00 C ATOM 186 CG TYR A 20 -3.914 4.966 -1.536 1.00 0.00 C ATOM 187 CD1 TYR A 20 -3.203 3.787 -1.352 1.00 0.00 C ATOM 188 CD2 TYR A 20 -3.194 6.146 -1.692 1.00 0.00 C ATOM 189 CE1 TYR A 20 -1.822 3.782 -1.318 1.00 0.00 C ATOM 190 CE2 TYR A 20 -1.811 6.148 -1.663 1.00 0.00 C ATOM 191 CZ TYR A 20 -1.132 4.963 -1.475 1.00 0.00 C ATOM 192 OH TYR A 20 0.244 4.962 -1.443 1.00 0.00 O ATOM 0 H TYR A 20 -6.705 2.557 -0.899 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.539 4.838 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.754 4.343 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.772 5.980 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.740 2.857 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.724 7.076 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.286 2.856 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.266 7.072 -1.787 1.00 0.00 H new ATOM 0 HH TYR A 20 0.590 4.523 -2.248 1.00 0.00 H new ATOM 202 N CYS A 21 -7.637 6.322 -0.146 1.00 0.00 N ATOM 203 CA CYS A 21 -8.941 6.970 -0.078 1.00 0.00 C ATOM 204 C CYS A 21 -9.467 7.279 -1.479 1.00 0.00 C ATOM 205 O CYS A 21 -8.692 7.569 -2.391 1.00 0.00 O ATOM 206 CB CYS A 21 -8.853 8.258 0.742 1.00 0.00 C ATOM 207 SG CYS A 21 -7.797 9.530 0.008 1.00 0.00 S ATOM 0 H CYS A 21 -6.846 6.965 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.635 6.285 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.857 8.664 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.477 8.018 1.736 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.647 9.291 -1.261 1.00 0.00 H new ATOM 213 N PRO A 22 -10.796 7.220 -1.670 1.00 0.00 N ATOM 214 CA PRO A 22 -11.423 7.494 -2.967 1.00 0.00 C ATOM 215 C PRO A 22 -11.523 8.989 -3.271 1.00 0.00 C ATOM 216 O PRO A 22 -12.033 9.380 -4.320 1.00 0.00 O ATOM 217 CB PRO A 22 -12.816 6.889 -2.807 1.00 0.00 C ATOM 218 CG PRO A 22 -13.115 7.021 -1.354 1.00 0.00 C ATOM 219 CD PRO A 22 -11.796 6.879 -0.638 1.00 0.00 C ATOM 0 HA PRO A 22 -10.847 7.080 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.551 7.419 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.834 5.846 -3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.574 7.986 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.818 6.254 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.732 7.550 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -11.652 5.866 -0.261 1.00 0.00 H new ATOM 227 N SER A 23 -11.032 9.818 -2.355 1.00 0.00 N ATOM 228 CA SER A 23 -11.068 11.264 -2.540 1.00 0.00 C ATOM 229 C SER A 23 -9.932 11.709 -3.449 1.00 0.00 C ATOM 230 O SER A 23 -10.085 12.630 -4.251 1.00 0.00 O ATOM 231 CB SER A 23 -10.970 11.977 -1.190 1.00 0.00 C ATOM 232 OG SER A 23 -12.248 12.389 -0.735 1.00 0.00 O ATOM 0 H SER A 23 -10.606 9.514 -1.480 1.00 0.00 H new ATOM 0 HA SER A 23 -12.016 11.529 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.517 11.311 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.316 12.844 -1.280 1.00 0.00 H new ATOM 0 HG SER A 23 -12.157 12.840 0.130 1.00 0.00 H new ATOM 238 N ASP A 24 -8.792 11.037 -3.325 1.00 0.00 N ATOM 239 CA ASP A 24 -7.626 11.348 -4.140 1.00 0.00 C ATOM 240 C ASP A 24 -7.108 10.096 -4.842 1.00 0.00 C ATOM 241 O ASP A 24 -5.948 10.036 -5.251 1.00 0.00 O ATOM 242 CB ASP A 24 -6.521 11.960 -3.277 1.00 0.00 C ATOM 243 CG ASP A 24 -5.636 12.910 -4.062 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.078 14.047 -4.330 1.00 0.00 O ATOM 245 OD2 ASP A 24 -4.501 12.517 -4.404 1.00 0.00 O ATOM 0 H ASP A 24 -8.652 10.272 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.924 12.072 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.971 12.494 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.909 11.163 -2.855 1.00 0.00 H new ATOM 250 N ILE A 25 -7.978 9.096 -4.977 1.00 0.00 N ATOM 251 CA ILE A 25 -7.620 7.838 -5.626 1.00 0.00 C ATOM 252 C ILE A 25 -6.964 8.076 -6.984 1.00 0.00 C ATOM 253 O ILE A 25 -5.967 7.437 -7.318 1.00 0.00 O ATOM 254 CB ILE A 25 -8.860 6.941 -5.810 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.500 5.642 -6.543 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.941 7.694 -6.569 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.259 4.956 -6.010 1.00 0.00 C ATOM 0 H ILE A 25 -8.941 9.135 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.905 7.335 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.238 6.676 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.342 4.953 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.355 5.862 -7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.813 7.052 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.224 8.586 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.562 7.985 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.073 4.046 -6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.404 5.625 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.406 4.702 -4.960 1.00 0.00 H new ATOM 269 N GLN A 26 -7.528 8.996 -7.764 1.00 0.00 N ATOM 270 CA GLN A 26 -6.991 9.313 -9.086 1.00 0.00 C ATOM 271 C GLN A 26 -5.478 9.495 -9.026 1.00 0.00 C ATOM 272 O GLN A 26 -4.740 8.974 -9.865 1.00 0.00 O ATOM 273 CB GLN A 26 -7.649 10.579 -9.638 1.00 0.00 C ATOM 274 CG GLN A 26 -9.158 10.468 -9.780 1.00 0.00 C ATOM 275 CD GLN A 26 -9.693 11.267 -10.952 1.00 0.00 C ATOM 276 OE1 GLN A 26 -9.162 11.195 -12.060 1.00 0.00 O ATOM 277 NE2 GLN A 26 -10.750 12.033 -10.712 1.00 0.00 N ATOM 0 H GLN A 26 -8.355 9.534 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.213 8.479 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.415 11.416 -8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.217 10.808 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.432 9.420 -9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.632 10.815 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.158 12.062 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.155 12.593 -11.462 1.00 0.00 H new ATOM 286 N PHE A 27 -5.026 10.228 -8.018 1.00 0.00 N ATOM 287 CA PHE A 27 -3.602 10.474 -7.830 1.00 0.00 C ATOM 288 C PHE A 27 -2.899 9.189 -7.412 1.00 0.00 C ATOM 289 O PHE A 27 -1.744 8.955 -7.767 1.00 0.00 O ATOM 290 CB PHE A 27 -3.381 11.560 -6.775 1.00 0.00 C ATOM 291 CG PHE A 27 -2.055 12.254 -6.899 1.00 0.00 C ATOM 292 CD1 PHE A 27 -0.875 11.573 -6.648 1.00 0.00 C ATOM 293 CD2 PHE A 27 -1.988 13.588 -7.269 1.00 0.00 C ATOM 294 CE1 PHE A 27 0.347 12.209 -6.762 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.770 14.230 -7.385 1.00 0.00 C ATOM 296 CZ PHE A 27 0.399 13.538 -7.130 1.00 0.00 C ATOM 0 H PHE A 27 -5.625 10.663 -7.317 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.182 10.817 -8.775 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.178 12.299 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.457 11.113 -5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.910 10.533 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.899 14.132 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.260 11.667 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.731 15.270 -7.674 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.353 14.037 -7.219 1.00 0.00 H new ATOM 306 N VAL A 28 -3.612 8.356 -6.661 1.00 0.00 N ATOM 307 CA VAL A 28 -3.070 7.088 -6.199 1.00 0.00 C ATOM 308 C VAL A 28 -2.823 6.148 -7.369 1.00 0.00 C ATOM 309 O VAL A 28 -1.703 5.686 -7.581 1.00 0.00 O ATOM 310 CB VAL A 28 -4.023 6.399 -5.206 1.00 0.00 C ATOM 311 CG1 VAL A 28 -3.355 5.186 -4.578 1.00 0.00 C ATOM 312 CG2 VAL A 28 -4.479 7.380 -4.140 1.00 0.00 C ATOM 0 H VAL A 28 -4.569 8.539 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.128 7.308 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.902 6.056 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.044 4.712 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.084 4.475 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.457 5.500 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.152 6.876 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.612 7.756 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.000 8.213 -4.611 1.00 0.00 H new ATOM 322 N GLN A 29 -3.878 5.875 -8.131 1.00 0.00 N ATOM 323 CA GLN A 29 -3.784 4.993 -9.284 1.00 0.00 C ATOM 324 C GLN A 29 -2.649 5.421 -10.205 1.00 0.00 C ATOM 325 O GLN A 29 -1.937 4.583 -10.757 1.00 0.00 O ATOM 326 CB GLN A 29 -5.109 4.990 -10.046 1.00 0.00 C ATOM 327 CG GLN A 29 -5.615 6.381 -10.392 1.00 0.00 C ATOM 328 CD GLN A 29 -6.786 6.351 -11.356 1.00 0.00 C ATOM 329 OE1 GLN A 29 -7.995 6.480 -10.823 1.00 0.00 O flip ATOM 330 NE2 GLN A 29 -6.605 6.213 -12.566 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.810 6.255 -7.968 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.572 3.984 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.988 4.417 -10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.862 4.477 -9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.915 6.893 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.803 6.961 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.658 6.117 -12.932 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.402 6.194 -13.202 1.00 0.00 H new ATOM 339 N GLU A 30 -2.478 6.729 -10.362 1.00 0.00 N ATOM 340 CA GLU A 30 -1.419 7.260 -11.209 1.00 0.00 C ATOM 341 C GLU A 30 -0.054 6.837 -10.677 1.00 0.00 C ATOM 342 O GLU A 30 0.832 6.446 -11.438 1.00 0.00 O ATOM 343 CB GLU A 30 -1.505 8.786 -11.276 1.00 0.00 C ATOM 344 CG GLU A 30 -1.021 9.364 -12.596 1.00 0.00 C ATOM 345 CD GLU A 30 -1.892 8.953 -13.768 1.00 0.00 C ATOM 346 OE1 GLU A 30 -1.654 7.863 -14.329 1.00 0.00 O ATOM 347 OE2 GLU A 30 -2.811 9.721 -14.123 1.00 0.00 O ATOM 0 H GLU A 30 -3.058 7.439 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.546 6.857 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.539 9.091 -11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.915 9.211 -10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.002 10.452 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.003 9.038 -12.777 1.00 0.00 H new ATOM 354 N MET A 31 0.101 6.909 -9.360 1.00 0.00 N ATOM 355 CA MET A 31 1.350 6.529 -8.713 1.00 0.00 C ATOM 356 C MET A 31 1.552 5.018 -8.782 1.00 0.00 C ATOM 357 O MET A 31 2.605 4.542 -9.208 1.00 0.00 O ATOM 358 CB MET A 31 1.347 6.995 -7.254 1.00 0.00 C ATOM 359 CG MET A 31 2.526 6.483 -6.440 1.00 0.00 C ATOM 360 SD MET A 31 2.400 6.908 -4.692 1.00 0.00 S ATOM 361 CE MET A 31 0.726 6.380 -4.332 1.00 0.00 C ATOM 0 H MET A 31 -0.625 7.228 -8.718 1.00 0.00 H new ATOM 0 HA MET A 31 2.174 7.011 -9.238 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.348 8.085 -7.231 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.422 6.667 -6.780 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.590 5.400 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.449 6.897 -6.845 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.462 6.674 -3.316 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.038 6.848 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.658 5.296 -4.425 1.00 0.00 H new ATOM 371 N ILE A 32 0.539 4.270 -8.360 1.00 0.00 N ATOM 372 CA ILE A 32 0.605 2.814 -8.371 1.00 0.00 C ATOM 373 C ILE A 32 0.860 2.283 -9.778 1.00 0.00 C ATOM 374 O ILE A 32 1.796 1.516 -9.998 1.00 0.00 O ATOM 375 CB ILE A 32 -0.692 2.186 -7.817 1.00 0.00 C ATOM 376 CG1 ILE A 32 -1.060 2.803 -6.462 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.539 0.676 -7.689 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.134 3.127 -5.586 1.00 0.00 C ATOM 0 H ILE A 32 -0.339 4.649 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 32 1.437 2.531 -7.727 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.499 2.396 -8.518 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.630 3.716 -6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.714 2.115 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.462 0.249 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.328 0.247 -8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.283 0.450 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.211 3.559 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.694 2.214 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.779 3.841 -6.099 1.00 0.00 H new ATOM 390 N ARG A 33 0.026 2.694 -10.729 1.00 0.00 N ATOM 391 CA ARG A 33 0.172 2.256 -12.107 1.00 0.00 C ATOM 392 C ARG A 33 1.557 2.610 -12.643 1.00 0.00 C ATOM 393 O ARG A 33 2.122 1.882 -13.461 1.00 0.00 O ATOM 394 CB ARG A 33 -0.917 2.885 -12.979 1.00 0.00 C ATOM 395 CG ARG A 33 -0.742 4.378 -13.203 1.00 0.00 C ATOM 396 CD ARG A 33 0.096 4.664 -14.438 1.00 0.00 C ATOM 397 NE ARG A 33 -0.711 5.181 -15.541 1.00 0.00 N ATOM 398 CZ ARG A 33 -0.209 5.841 -16.582 1.00 0.00 C ATOM 399 NH1 ARG A 33 1.097 6.064 -16.667 1.00 0.00 N ATOM 400 NH2 ARG A 33 -1.015 6.278 -17.541 1.00 0.00 N ATOM 0 H ARG A 33 -0.756 3.329 -10.568 1.00 0.00 H new ATOM 0 HA ARG A 33 0.063 1.172 -12.138 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.930 2.382 -13.946 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.887 2.709 -12.515 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.720 4.848 -13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.267 4.824 -12.329 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.874 5.386 -14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.599 3.750 -14.754 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.719 5.027 -15.511 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.720 5.729 -15.933 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.477 6.570 -17.467 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.019 6.108 -17.480 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.631 6.784 -18.339 1.00 0.00 H new ATOM 414 N GLN A 34 2.109 3.722 -12.161 1.00 0.00 N ATOM 415 CA GLN A 34 3.434 4.159 -12.579 1.00 0.00 C ATOM 416 C GLN A 34 4.505 3.302 -11.915 1.00 0.00 C ATOM 417 O GLN A 34 5.604 3.139 -12.444 1.00 0.00 O ATOM 418 CB GLN A 34 3.652 5.631 -12.221 1.00 0.00 C ATOM 419 CG GLN A 34 3.427 6.582 -13.386 1.00 0.00 C ATOM 420 CD GLN A 34 4.649 6.718 -14.272 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.728 5.883 -15.302 1.00 0.00 O flip ATOM 422 NE2 GLN A 34 5.512 7.563 -14.035 1.00 0.00 N flip ATOM 0 H GLN A 34 1.658 4.334 -11.482 1.00 0.00 H new ATOM 0 HA GLN A 34 3.507 4.047 -13.661 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.979 5.902 -11.407 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.669 5.759 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.587 6.226 -13.983 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.151 7.564 -13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.411 8.184 -13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.328 7.642 -14.641 1.00 0.00 H new ATOM 431 N LEU A 35 4.172 2.758 -10.747 1.00 0.00 N ATOM 432 CA LEU A 35 5.097 1.922 -10.003 1.00 0.00 C ATOM 433 C LEU A 35 5.139 0.508 -10.578 1.00 0.00 C ATOM 434 O LEU A 35 6.213 -0.038 -10.831 1.00 0.00 O ATOM 435 CB LEU A 35 4.688 1.871 -8.531 1.00 0.00 C ATOM 436 CG LEU A 35 5.018 3.124 -7.717 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.702 2.903 -6.246 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.478 3.509 -7.897 1.00 0.00 C ATOM 0 H LEU A 35 3.265 2.885 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 35 6.093 2.357 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.614 1.694 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.177 1.016 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 35 4.399 3.944 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.943 3.804 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.642 2.676 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.294 2.070 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.694 4.402 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.114 2.691 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.674 3.710 -8.950 1.00 0.00 H new ATOM 450 N GLU A 36 3.963 -0.078 -10.776 1.00 0.00 N ATOM 451 CA GLU A 36 3.862 -1.431 -11.315 1.00 0.00 C ATOM 452 C GLU A 36 4.533 -1.533 -12.678 1.00 0.00 C ATOM 453 O GLU A 36 5.276 -2.477 -12.948 1.00 0.00 O ATOM 454 CB GLU A 36 2.394 -1.852 -11.422 1.00 0.00 C ATOM 455 CG GLU A 36 1.535 -0.869 -12.199 1.00 0.00 C ATOM 456 CD GLU A 36 1.385 -1.251 -13.659 1.00 0.00 C ATOM 457 OE1 GLU A 36 1.235 -2.458 -13.944 1.00 0.00 O ATOM 458 OE2 GLU A 36 1.422 -0.344 -14.517 1.00 0.00 O ATOM 0 H GLU A 36 3.066 0.362 -10.572 1.00 0.00 H new ATOM 0 HA GLU A 36 4.378 -2.103 -10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.339 -2.829 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.983 -1.967 -10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.548 -0.812 -11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.976 0.125 -12.131 1.00 0.00 H new ATOM 465 N GLN A 37 4.264 -0.557 -13.535 1.00 0.00 N ATOM 466 CA GLN A 37 4.836 -0.533 -14.872 1.00 0.00 C ATOM 467 C GLN A 37 6.356 -0.393 -14.825 1.00 0.00 C ATOM 468 O GLN A 37 7.053 -0.798 -15.756 1.00 0.00 O ATOM 469 CB GLN A 37 4.229 0.619 -15.672 1.00 0.00 C ATOM 470 CG GLN A 37 4.591 1.993 -15.132 1.00 0.00 C ATOM 471 CD GLN A 37 5.368 2.828 -16.133 1.00 0.00 C ATOM 472 OE1 GLN A 37 4.811 3.713 -16.784 1.00 0.00 O ATOM 473 NE2 GLN A 37 6.660 2.552 -16.260 1.00 0.00 N ATOM 0 H GLN A 37 3.651 0.231 -13.326 1.00 0.00 H new ATOM 0 HA GLN A 37 4.602 -1.480 -15.359 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.561 0.546 -16.707 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.144 0.514 -15.677 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.679 2.522 -14.854 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.183 1.878 -14.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.080 1.810 -15.700 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.233 3.082 -16.917 1.00 0.00 H new ATOM 555 N LEU A 42 5.673 -5.680 -10.589 1.00 0.00 N ATOM 556 CA LEU A 42 5.001 -5.335 -9.342 1.00 0.00 C ATOM 557 C LEU A 42 3.490 -5.267 -9.546 1.00 0.00 C ATOM 558 O LEU A 42 2.973 -4.320 -10.136 1.00 0.00 O ATOM 559 CB LEU A 42 5.525 -3.998 -8.810 1.00 0.00 C ATOM 560 CG LEU A 42 4.750 -3.417 -7.622 1.00 0.00 C ATOM 561 CD1 LEU A 42 5.628 -3.365 -6.382 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.215 -2.031 -7.957 1.00 0.00 C ATOM 0 HA LEU A 42 5.215 -6.113 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.567 -4.126 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.510 -3.272 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 42 3.903 -4.071 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.059 -2.950 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.959 -4.372 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.497 -2.736 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.668 -1.636 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.047 -1.367 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.547 -2.097 -8.816 1.00 0.00 H new ATOM 574 N LYS A 43 2.789 -6.283 -9.052 1.00 0.00 N ATOM 575 CA LYS A 43 1.337 -6.346 -9.180 1.00 0.00 C ATOM 576 C LYS A 43 0.658 -5.907 -7.888 1.00 0.00 C ATOM 577 O LYS A 43 0.693 -6.618 -6.883 1.00 0.00 O ATOM 578 CB LYS A 43 0.895 -7.767 -9.542 1.00 0.00 C ATOM 579 CG LYS A 43 1.813 -8.459 -10.537 1.00 0.00 C ATOM 580 CD LYS A 43 1.727 -7.819 -11.914 1.00 0.00 C ATOM 581 CE LYS A 43 3.094 -7.706 -12.568 1.00 0.00 C ATOM 582 NZ LYS A 43 3.130 -8.376 -13.898 1.00 0.00 N ATOM 0 H LYS A 43 3.203 -7.074 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 43 1.039 -5.665 -9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.844 -8.365 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.113 -7.730 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.841 -8.414 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.546 -9.513 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.067 -8.410 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.282 -6.828 -11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.355 -6.654 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.846 -8.151 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.079 -8.277 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.906 -9.385 -13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.430 -7.935 -14.528 1.00 0.00 H new ATOM 596 N LEU A 44 0.036 -4.732 -7.919 1.00 0.00 N ATOM 597 CA LEU A 44 -0.653 -4.208 -6.747 1.00 0.00 C ATOM 598 C LEU A 44 -2.162 -4.364 -6.894 1.00 0.00 C ATOM 599 O LEU A 44 -2.696 -4.330 -8.002 1.00 0.00 O ATOM 600 CB LEU A 44 -0.287 -2.740 -6.517 1.00 0.00 C ATOM 601 CG LEU A 44 1.114 -2.520 -5.949 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.461 -1.042 -5.919 1.00 0.00 C ATOM 603 CD2 LEU A 44 1.216 -3.114 -4.556 1.00 0.00 C ATOM 0 H LEU A 44 -0.004 -4.128 -8.740 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.331 -4.783 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.370 -2.205 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.015 -2.299 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 44 1.829 -3.024 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.463 -0.912 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.427 -0.640 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.743 -0.512 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.219 -2.950 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.488 -2.635 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.014 -4.184 -4.601 1.00 0.00 H new ATOM 615 N CYS A 45 -2.844 -4.545 -5.768 1.00 0.00 N ATOM 616 CA CYS A 45 -4.291 -4.717 -5.770 1.00 0.00 C ATOM 617 C CYS A 45 -4.985 -3.519 -5.139 1.00 0.00 C ATOM 618 O CYS A 45 -4.339 -2.670 -4.534 1.00 0.00 O ATOM 619 CB CYS A 45 -4.669 -5.992 -5.018 1.00 0.00 C ATOM 620 SG CYS A 45 -3.848 -7.494 -5.640 1.00 0.00 S ATOM 0 H CYS A 45 -2.417 -4.576 -4.842 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.621 -4.798 -6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.422 -5.866 -3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.749 -6.130 -5.078 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.404 -8.192 -4.638 1.00 0.00 H new ATOM 625 N VAL A 46 -6.305 -3.457 -5.281 1.00 0.00 N ATOM 626 CA VAL A 46 -7.080 -2.359 -4.716 1.00 0.00 C ATOM 627 C VAL A 46 -8.387 -2.861 -4.109 1.00 0.00 C ATOM 628 O VAL A 46 -8.643 -4.063 -4.071 1.00 0.00 O ATOM 629 CB VAL A 46 -7.388 -1.281 -5.776 1.00 0.00 C ATOM 630 CG1 VAL A 46 -6.099 -0.757 -6.395 1.00 0.00 C ATOM 631 CG2 VAL A 46 -8.322 -1.827 -6.851 1.00 0.00 C ATOM 0 H VAL A 46 -6.859 -4.152 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.471 -1.914 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.893 -0.451 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.336 0.002 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.473 -0.319 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.564 -1.579 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.524 -1.049 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.852 -2.678 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.258 -2.145 -6.392 1.00 0.00 H new ATOM 641 N SER A 47 -9.211 -1.930 -3.638 1.00 0.00 N ATOM 642 CA SER A 47 -10.491 -2.278 -3.036 1.00 0.00 C ATOM 643 C SER A 47 -11.534 -2.576 -4.108 1.00 0.00 C ATOM 644 O SER A 47 -11.588 -1.905 -5.138 1.00 0.00 O ATOM 645 CB SER A 47 -10.980 -1.145 -2.133 1.00 0.00 C ATOM 646 OG SER A 47 -11.675 -1.651 -1.006 1.00 0.00 O ATOM 0 H SER A 47 -9.014 -0.929 -3.662 1.00 0.00 H new ATOM 0 HA SER A 47 -10.348 -3.176 -2.434 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.130 -0.548 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.634 -0.482 -2.699 1.00 0.00 H new ATOM 0 HG SER A 47 -11.975 -0.906 -0.445 1.00 0.00 H new ATOM 781 N VAL A 57 -9.094 -1.997 -14.075 1.00 0.00 N ATOM 782 CA VAL A 57 -7.763 -1.866 -13.498 1.00 0.00 C ATOM 783 C VAL A 57 -7.421 -3.071 -12.624 1.00 0.00 C ATOM 784 O VAL A 57 -8.161 -4.054 -12.592 1.00 0.00 O ATOM 785 CB VAL A 57 -7.644 -0.580 -12.656 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.859 0.650 -13.527 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.636 -0.601 -11.502 1.00 0.00 C ATOM 0 HA VAL A 57 -7.059 -1.815 -14.328 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.638 -0.534 -12.240 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.771 1.548 -12.916 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.107 0.673 -14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.853 0.610 -13.974 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.536 0.315 -10.920 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.650 -0.673 -11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.433 -1.461 -10.863 1.00 0.00 H new ATOM 797 N TRP A 58 -6.298 -2.987 -11.919 1.00 0.00 N ATOM 798 CA TRP A 58 -5.861 -4.068 -11.047 1.00 0.00 C ATOM 799 C TRP A 58 -6.590 -4.006 -9.708 1.00 0.00 C ATOM 800 O TRP A 58 -6.442 -3.043 -8.956 1.00 0.00 O ATOM 801 CB TRP A 58 -4.349 -3.982 -10.832 1.00 0.00 C ATOM 802 CG TRP A 58 -3.632 -5.249 -11.171 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.919 -6.496 -10.703 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.511 -5.396 -12.051 1.00 0.00 C ATOM 805 NE1 TRP A 58 -3.043 -7.412 -11.234 1.00 0.00 N ATOM 806 CE2 TRP A 58 -2.171 -6.762 -12.066 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.763 -4.507 -12.828 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -1.116 -7.258 -12.828 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.716 -5.000 -13.583 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.401 -6.364 -13.578 1.00 0.00 C ATOM 0 H TRP A 58 -5.674 -2.180 -11.935 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.100 -5.019 -11.522 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.948 -3.171 -11.440 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.151 -3.728 -9.791 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.718 -6.730 -10.015 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.042 -8.413 -11.040 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.999 -3.453 -12.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.871 -8.310 -12.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.131 -4.322 -14.187 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.424 -6.718 -14.179 1.00 0.00 H new ATOM 821 N SER A 59 -7.378 -5.037 -9.420 1.00 0.00 N ATOM 822 CA SER A 59 -8.134 -5.094 -8.173 1.00 0.00 C ATOM 823 C SER A 59 -8.129 -6.503 -7.591 1.00 0.00 C ATOM 824 O SER A 59 -7.763 -7.465 -8.268 1.00 0.00 O ATOM 825 CB SER A 59 -9.572 -4.632 -8.403 1.00 0.00 C ATOM 826 OG SER A 59 -10.346 -4.760 -7.222 1.00 0.00 O ATOM 0 H SER A 59 -7.510 -5.843 -10.031 1.00 0.00 H new ATOM 0 HA SER A 59 -7.653 -4.426 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.575 -3.593 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.023 -5.221 -9.202 1.00 0.00 H new ATOM 0 HG SER A 59 -11.261 -4.456 -7.396 1.00 0.00 H new ATOM 832 N ILE A 60 -8.542 -6.618 -6.333 1.00 0.00 N ATOM 833 CA ILE A 60 -8.591 -7.909 -5.660 1.00 0.00 C ATOM 834 C ILE A 60 -9.486 -7.851 -4.424 1.00 0.00 C ATOM 835 O ILE A 60 -9.661 -6.792 -3.822 1.00 0.00 O ATOM 836 CB ILE A 60 -7.177 -8.384 -5.244 1.00 0.00 C ATOM 837 CG1 ILE A 60 -7.091 -9.912 -5.316 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.823 -7.886 -3.844 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.968 -10.503 -4.488 1.00 0.00 C ATOM 0 H ILE A 60 -8.848 -5.832 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.008 -8.622 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.453 -7.962 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.038 -10.336 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.958 -10.210 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.825 -8.233 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.844 -6.796 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.547 -8.273 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.973 -11.588 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.013 -10.110 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.109 -10.237 -3.440 1.00 0.00 H new ATOM 851 N ALA A 61 -10.035 -8.998 -4.041 1.00 0.00 N ATOM 852 CA ALA A 61 -10.891 -9.071 -2.866 1.00 0.00 C ATOM 853 C ALA A 61 -10.064 -8.880 -1.601 1.00 0.00 C ATOM 854 O ALA A 61 -8.913 -9.312 -1.530 1.00 0.00 O ATOM 855 CB ALA A 61 -11.630 -10.399 -2.826 1.00 0.00 C ATOM 0 H ALA A 61 -9.903 -9.886 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.630 -8.271 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.265 -10.436 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.247 -10.499 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.909 -11.216 -2.789 1.00 0.00 H new ATOM 861 N SER A 62 -10.649 -8.225 -0.605 1.00 0.00 N ATOM 862 CA SER A 62 -9.951 -7.971 0.652 1.00 0.00 C ATOM 863 C SER A 62 -9.677 -9.265 1.417 1.00 0.00 C ATOM 864 O SER A 62 -8.918 -9.269 2.387 1.00 0.00 O ATOM 865 CB SER A 62 -10.766 -7.015 1.526 1.00 0.00 C ATOM 866 OG SER A 62 -9.926 -6.290 2.408 1.00 0.00 O ATOM 0 H SER A 62 -11.601 -7.861 -0.642 1.00 0.00 H new ATOM 0 HA SER A 62 -8.992 -7.514 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.320 -6.321 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.501 -7.579 2.100 1.00 0.00 H new ATOM 0 HG SER A 62 -10.470 -5.685 2.955 1.00 0.00 H new ATOM 872 N GLU A 63 -10.291 -10.361 0.981 1.00 0.00 N ATOM 873 CA GLU A 63 -10.102 -11.650 1.636 1.00 0.00 C ATOM 874 C GLU A 63 -8.881 -12.379 1.081 1.00 0.00 C ATOM 875 O GLU A 63 -8.359 -13.297 1.713 1.00 0.00 O ATOM 876 CB GLU A 63 -11.350 -12.519 1.467 1.00 0.00 C ATOM 877 CG GLU A 63 -11.866 -12.571 0.039 1.00 0.00 C ATOM 878 CD GLU A 63 -12.383 -13.942 -0.346 1.00 0.00 C ATOM 879 OE1 GLU A 63 -11.582 -14.899 -0.349 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.591 -14.060 -0.643 1.00 0.00 O ATOM 0 H GLU A 63 -10.922 -10.382 0.180 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.935 -11.464 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.125 -13.532 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.139 -12.138 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.665 -11.839 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.065 -12.284 -0.643 1.00 0.00 H new ATOM 887 N LEU A 64 -8.431 -11.974 -0.104 1.00 0.00 N ATOM 888 CA LEU A 64 -7.281 -12.597 -0.736 1.00 0.00 C ATOM 889 C LEU A 64 -5.993 -11.823 -0.453 1.00 0.00 C ATOM 890 O LEU A 64 -4.921 -12.205 -0.917 1.00 0.00 O ATOM 891 CB LEU A 64 -7.492 -12.703 -2.247 1.00 0.00 C ATOM 892 CG LEU A 64 -8.942 -12.589 -2.723 1.00 0.00 C ATOM 893 CD1 LEU A 64 -9.002 -12.555 -4.244 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.771 -13.743 -2.181 1.00 0.00 C ATOM 0 H LEU A 64 -8.849 -11.216 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.180 -13.596 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.907 -11.922 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.092 -13.659 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.359 -11.657 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.040 -12.474 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.440 -11.696 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.568 -13.471 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.800 -13.647 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.355 -14.687 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.753 -13.724 -1.091 1.00 0.00 H new ATOM 906 N ILE A 65 -6.099 -10.733 0.302 1.00 0.00 N ATOM 907 CA ILE A 65 -4.933 -9.922 0.625 1.00 0.00 C ATOM 908 C ILE A 65 -3.991 -10.660 1.572 1.00 0.00 C ATOM 909 O ILE A 65 -2.845 -10.943 1.228 1.00 0.00 O ATOM 910 CB ILE A 65 -5.337 -8.578 1.264 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.398 -7.882 0.408 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.116 -7.684 1.436 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.797 -6.516 0.926 1.00 0.00 C ATOM 0 H ILE A 65 -6.975 -10.394 0.699 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.418 -9.727 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.761 -8.773 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.021 -7.779 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.284 -8.515 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.418 -6.739 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.390 -8.180 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.665 -7.493 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.552 -6.084 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.205 -6.613 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.922 -5.866 0.950 1.00 0.00 H new ATOM 925 N GLU A 66 -4.483 -10.963 2.768 1.00 0.00 N ATOM 926 CA GLU A 66 -3.690 -11.661 3.767 1.00 0.00 C ATOM 927 C GLU A 66 -3.282 -13.056 3.290 1.00 0.00 C ATOM 928 O GLU A 66 -2.377 -13.670 3.856 1.00 0.00 O ATOM 929 CB GLU A 66 -4.481 -11.768 5.069 1.00 0.00 C ATOM 930 CG GLU A 66 -5.842 -12.425 4.904 1.00 0.00 C ATOM 931 CD GLU A 66 -6.897 -11.812 5.802 1.00 0.00 C ATOM 932 OE1 GLU A 66 -6.711 -11.829 7.037 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.913 -11.313 5.271 1.00 0.00 O ATOM 0 H GLU A 66 -5.431 -10.734 3.068 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.779 -11.087 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.898 -12.337 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.617 -10.769 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.160 -12.338 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.757 -13.489 5.124 1.00 0.00 H new ATOM 940 N LYS A 67 -3.953 -13.554 2.255 1.00 0.00 N ATOM 941 CA LYS A 67 -3.653 -14.877 1.721 1.00 0.00 C ATOM 942 C LYS A 67 -2.751 -14.792 0.491 1.00 0.00 C ATOM 943 O LYS A 67 -1.675 -15.389 0.458 1.00 0.00 O ATOM 944 CB LYS A 67 -4.949 -15.608 1.365 1.00 0.00 C ATOM 945 CG LYS A 67 -6.017 -15.512 2.444 1.00 0.00 C ATOM 946 CD LYS A 67 -6.257 -16.855 3.115 1.00 0.00 C ATOM 947 CE LYS A 67 -7.219 -17.715 2.310 1.00 0.00 C ATOM 948 NZ LYS A 67 -6.915 -19.167 2.448 1.00 0.00 N ATOM 0 H LYS A 67 -4.705 -13.063 1.772 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.122 -15.434 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.345 -15.198 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.725 -16.658 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.714 -14.780 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.948 -15.153 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.309 -17.379 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.659 -16.697 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.240 -17.525 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.167 -17.431 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.593 -19.719 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.950 -19.353 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.990 -19.444 3.448 1.00 0.00 H new ATOM 962 N ARG A 68 -3.200 -14.056 -0.521 1.00 0.00 N ATOM 963 CA ARG A 68 -2.432 -13.905 -1.754 1.00 0.00 C ATOM 964 C ARG A 68 -1.403 -12.785 -1.636 1.00 0.00 C ATOM 965 O ARG A 68 -0.199 -13.025 -1.735 1.00 0.00 O ATOM 966 CB ARG A 68 -3.368 -13.628 -2.934 1.00 0.00 C ATOM 967 CG ARG A 68 -4.479 -14.654 -3.088 1.00 0.00 C ATOM 968 CD ARG A 68 -5.021 -14.677 -4.509 1.00 0.00 C ATOM 969 NE ARG A 68 -5.289 -16.038 -4.972 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.452 -16.665 -4.810 1.00 0.00 C ATOM 971 NH1 ARG A 68 -7.462 -16.065 -4.188 1.00 0.00 N ATOM 972 NH2 ARG A 68 -6.609 -17.900 -5.269 1.00 0.00 N ATOM 0 H ARG A 68 -4.089 -13.556 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.899 -14.840 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.812 -12.641 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.782 -13.600 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.102 -15.642 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.287 -14.425 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.939 -14.091 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.304 -14.201 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.538 -16.538 -5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.349 -15.116 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.350 -16.553 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.839 -18.369 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.500 -18.381 -5.145 1.00 0.00 H new ATOM 986 N CYS A 69 -1.881 -11.561 -1.433 1.00 0.00 N ATOM 987 CA CYS A 69 -0.996 -10.406 -1.311 1.00 0.00 C ATOM 988 C CYS A 69 0.029 -10.616 -0.199 1.00 0.00 C ATOM 989 O CYS A 69 -0.324 -10.979 0.924 1.00 0.00 O ATOM 990 CB CYS A 69 -1.808 -9.137 -1.042 1.00 0.00 C ATOM 991 SG CYS A 69 -2.992 -8.731 -2.346 1.00 0.00 S ATOM 0 H CYS A 69 -2.874 -11.343 -1.350 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.461 -10.292 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.346 -9.255 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.122 -8.299 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.098 -8.307 -1.811 1.00 0.00 H new ATOM 997 N ARG A 70 1.297 -10.387 -0.522 1.00 0.00 N ATOM 998 CA ARG A 70 2.376 -10.555 0.446 1.00 0.00 C ATOM 999 C ARG A 70 2.596 -9.274 1.246 1.00 0.00 C ATOM 1000 O ARG A 70 2.789 -9.319 2.462 1.00 0.00 O ATOM 1001 CB ARG A 70 3.667 -10.962 -0.267 1.00 0.00 C ATOM 1002 CG ARG A 70 4.109 -12.384 0.041 1.00 0.00 C ATOM 1003 CD ARG A 70 5.522 -12.421 0.605 1.00 0.00 C ATOM 1004 NE ARG A 70 6.096 -13.764 0.554 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.621 -14.304 -0.543 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.643 -13.624 -1.681 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.126 -15.530 -0.500 1.00 0.00 N ATOM 0 H ARG A 70 1.604 -10.084 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 70 2.091 -11.345 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.526 -10.859 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.462 -10.273 0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.419 -12.833 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.063 -12.985 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.155 -11.734 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.510 -12.071 1.637 1.00 0.00 H new ATOM 0 HE ARG A 70 6.094 -14.320 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.256 -12.681 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.047 -14.044 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.111 -16.057 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.529 -15.945 -1.340 1.00 0.00 H new ATOM 1021 N ARG A 71 2.563 -8.134 0.562 1.00 0.00 N ATOM 1022 CA ARG A 71 2.759 -6.845 1.220 1.00 0.00 C ATOM 1023 C ARG A 71 1.545 -5.942 1.028 1.00 0.00 C ATOM 1024 O ARG A 71 0.661 -6.229 0.220 1.00 0.00 O ATOM 1025 CB ARG A 71 4.021 -6.145 0.699 1.00 0.00 C ATOM 1026 CG ARG A 71 4.382 -6.500 -0.736 1.00 0.00 C ATOM 1027 CD ARG A 71 5.412 -7.617 -0.789 1.00 0.00 C ATOM 1028 NE ARG A 71 6.696 -7.204 -0.228 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.634 -8.054 0.182 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.438 -9.363 0.094 1.00 0.00 N ATOM 1031 NH2 ARG A 71 8.772 -7.593 0.684 1.00 0.00 N ATOM 0 H ARG A 71 2.403 -8.076 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 71 2.884 -7.038 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.881 -5.066 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.859 -6.401 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.484 -6.805 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.773 -5.618 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.038 -8.481 -0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.553 -7.932 -1.823 1.00 0.00 H new ATOM 0 HE ARG A 71 6.885 -6.205 -0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.564 -9.723 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.161 -10.009 0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.928 -6.587 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.491 -8.244 0.999 1.00 0.00 H new ATOM 1045 N MET A 72 1.503 -4.849 1.781 1.00 0.00 N ATOM 1046 CA MET A 72 0.395 -3.908 1.699 1.00 0.00 C ATOM 1047 C MET A 72 0.897 -2.475 1.555 1.00 0.00 C ATOM 1048 O MET A 72 2.000 -2.141 1.987 1.00 0.00 O ATOM 1049 CB MET A 72 -0.491 -4.031 2.939 1.00 0.00 C ATOM 1050 CG MET A 72 -1.779 -4.799 2.691 1.00 0.00 C ATOM 1051 SD MET A 72 -2.633 -5.237 4.218 1.00 0.00 S ATOM 1052 CE MET A 72 -2.500 -7.021 4.179 1.00 0.00 C ATOM 0 H MET A 72 2.224 -4.593 2.455 1.00 0.00 H new ATOM 0 HA MET A 72 -0.191 -4.152 0.813 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.072 -4.527 3.730 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.737 -3.033 3.301 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.442 -4.198 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.554 -5.707 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.497 -7.460 4.154 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.947 -7.325 3.290 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.974 -7.366 5.069 1.00 0.00 H new ATOM 1062 N VAL A 73 0.072 -1.631 0.950 1.00 0.00 N ATOM 1063 CA VAL A 73 0.415 -0.230 0.751 1.00 0.00 C ATOM 1064 C VAL A 73 -0.730 0.662 1.213 1.00 0.00 C ATOM 1065 O VAL A 73 -1.693 0.882 0.478 1.00 0.00 O ATOM 1066 CB VAL A 73 0.734 0.065 -0.728 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.129 1.523 -0.915 1.00 0.00 C ATOM 1068 CG2 VAL A 73 1.832 -0.859 -1.232 1.00 0.00 C ATOM 0 H VAL A 73 -0.844 -1.894 0.587 1.00 0.00 H new ATOM 0 HA VAL A 73 1.305 -0.019 1.344 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.166 -0.120 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.350 1.708 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.308 2.166 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.013 1.740 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.044 -0.636 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.734 -0.709 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.506 -1.895 -1.141 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.626 1.159 2.439 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.663 2.014 3.004 1.00 0.00 C ATOM 1080 C VAL A 74 -1.306 3.488 2.862 1.00 0.00 C ATOM 1081 O VAL A 74 -0.131 3.851 2.812 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.901 1.696 4.495 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -3.196 2.330 4.978 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.919 0.190 4.728 1.00 0.00 C ATOM 0 H VAL A 74 0.164 0.985 3.060 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.576 1.812 2.444 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.078 2.120 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.346 2.094 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.141 3.411 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.031 1.940 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.088 -0.013 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.719 -0.260 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.963 -0.236 4.425 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.328 4.335 2.800 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.120 5.771 2.669 1.00 0.00 C ATOM 1096 C VAL A 75 -2.693 6.515 3.875 1.00 0.00 C ATOM 1097 O VAL A 75 -3.901 6.499 4.111 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.732 6.316 1.355 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -4.222 6.593 1.494 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -1.990 7.563 0.898 1.00 0.00 C ATOM 0 H VAL A 75 -3.307 4.052 2.838 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.044 5.944 2.633 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.618 5.543 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.611 6.974 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.741 5.670 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.383 7.333 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.434 7.932 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.062 8.332 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.942 7.320 0.726 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.819 7.156 4.642 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.248 7.893 5.824 1.00 0.00 C ATOM 1112 C VAL A 76 -2.394 9.381 5.529 1.00 0.00 C ATOM 1113 O VAL A 76 -1.540 10.188 5.895 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.273 7.701 7.002 1.00 0.00 C ATOM 1115 CG1 VAL A 76 0.120 8.193 6.638 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -1.794 8.409 8.245 1.00 0.00 C ATOM 0 H VAL A 76 -0.814 7.180 4.468 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.220 7.488 6.105 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.204 6.635 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.790 8.047 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.491 7.632 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.078 9.253 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.093 8.263 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.897 9.475 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.765 7.997 8.518 1.00 0.00 H new ATOM 1126 N SER A 77 -3.486 9.734 4.869 1.00 0.00 N ATOM 1127 CA SER A 77 -3.754 11.125 4.528 1.00 0.00 C ATOM 1128 C SER A 77 -5.049 11.599 5.180 1.00 0.00 C ATOM 1129 O SER A 77 -5.950 10.805 5.437 1.00 0.00 O ATOM 1130 CB SER A 77 -3.841 11.292 3.010 1.00 0.00 C ATOM 1131 OG SER A 77 -4.354 10.123 2.396 1.00 0.00 O ATOM 0 H SER A 77 -4.202 9.077 4.558 1.00 0.00 H new ATOM 0 HA SER A 77 -2.932 11.734 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.480 12.142 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.852 11.513 2.608 1.00 0.00 H new ATOM 0 HG SER A 77 -4.401 10.257 1.426 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.128 12.901 5.443 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.311 13.499 6.065 1.00 0.00 C ATOM 1139 C ASP A 78 -7.605 12.935 5.478 1.00 0.00 C ATOM 1140 O ASP A 78 -8.546 12.612 6.203 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.289 15.016 5.860 1.00 0.00 C ATOM 1142 CG ASP A 78 -5.973 15.764 7.134 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.986 15.399 7.802 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -6.713 16.715 7.464 1.00 0.00 O ATOM 0 H ASP A 78 -4.384 13.567 5.235 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.284 13.258 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.548 15.267 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.257 15.343 5.480 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.640 12.846 4.156 1.00 0.00 N ATOM 1150 CA ASP A 79 -8.814 12.353 3.438 1.00 0.00 C ATOM 1151 C ASP A 79 -9.022 10.849 3.627 1.00 0.00 C ATOM 1152 O ASP A 79 -10.107 10.333 3.360 1.00 0.00 O ATOM 1153 CB ASP A 79 -8.686 12.670 1.947 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.164 14.068 1.610 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -10.179 14.504 2.192 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -8.524 14.727 0.764 1.00 0.00 O ATOM 0 H ASP A 79 -6.862 13.111 3.551 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.684 12.861 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.645 12.562 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.262 11.944 1.373 1.00 0.00 H new ATOM 1161 N TYR A 80 -7.990 10.149 4.082 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.087 8.710 4.295 1.00 0.00 C ATOM 1163 C TYR A 80 -8.512 8.405 5.722 1.00 0.00 C ATOM 1164 O TYR A 80 -9.175 7.401 5.983 1.00 0.00 O ATOM 1165 CB TYR A 80 -6.751 8.032 3.991 1.00 0.00 C ATOM 1166 CG TYR A 80 -6.799 6.525 4.101 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -7.326 5.751 3.073 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.318 5.874 5.230 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -7.373 4.374 3.169 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.359 4.497 5.332 1.00 0.00 C ATOM 1171 CZ TYR A 80 -6.888 3.752 4.300 1.00 0.00 C ATOM 1172 OH TYR A 80 -6.931 2.381 4.399 1.00 0.00 O ATOM 0 H TYR A 80 -7.081 10.552 4.310 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.843 8.318 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.435 8.305 2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.995 8.414 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.705 6.235 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.905 6.454 6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.787 3.787 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.979 4.007 6.216 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.593 2.122 5.074 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.126 9.277 6.643 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.461 9.109 8.041 1.00 0.00 C ATOM 1184 C LEU A 81 -9.885 9.570 8.318 1.00 0.00 C ATOM 1185 O LEU A 81 -10.605 8.962 9.110 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.485 9.901 8.902 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.031 9.440 8.834 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.076 10.567 9.188 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.819 8.271 9.765 1.00 0.00 C ATOM 0 H LEU A 81 -7.577 10.112 6.440 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.389 8.050 8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.531 10.948 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.817 9.850 9.939 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.821 9.132 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.049 10.206 9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.211 11.391 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.282 10.914 10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.780 7.947 9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.053 8.572 10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.471 7.449 9.471 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.285 10.652 7.658 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.618 11.203 7.825 1.00 0.00 C ATOM 1203 C GLN A 82 -12.690 10.158 7.523 1.00 0.00 C ATOM 1204 O GLN A 82 -13.835 10.289 7.956 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.796 12.417 6.913 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.790 12.075 5.432 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.295 13.214 4.569 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -13.254 13.056 3.813 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -11.650 14.369 4.675 1.00 0.00 N ATOM 0 H GLN A 82 -9.698 11.165 7.000 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.732 11.511 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.736 12.910 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.998 13.132 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.776 11.815 5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.410 11.194 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.860 14.455 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.944 15.171 4.117 1.00 0.00 H new ATOM 1218 N SER A 83 -12.313 9.122 6.780 1.00 0.00 N ATOM 1219 CA SER A 83 -13.245 8.059 6.423 1.00 0.00 C ATOM 1220 C SER A 83 -13.122 6.881 7.384 1.00 0.00 C ATOM 1221 O SER A 83 -12.063 6.649 7.967 1.00 0.00 O ATOM 1222 CB SER A 83 -12.993 7.592 4.989 1.00 0.00 C ATOM 1223 OG SER A 83 -14.193 7.152 4.377 1.00 0.00 O ATOM 0 H SER A 83 -11.369 8.996 6.414 1.00 0.00 H new ATOM 0 HA SER A 83 -14.257 8.458 6.495 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.563 8.408 4.408 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.264 6.782 4.990 1.00 0.00 H new ATOM 0 HG SER A 83 -14.005 6.860 3.460 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.214 6.139 7.545 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.233 4.985 8.428 1.00 0.00 C ATOM 1231 C LYS A 84 -13.444 3.825 7.831 1.00 0.00 C ATOM 1232 O LYS A 84 -13.020 2.917 8.546 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.676 4.556 8.691 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.623 5.719 8.946 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.747 5.761 7.921 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.482 6.803 6.846 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.721 7.535 6.466 1.00 0.00 N ATOM 0 H LYS A 84 -15.099 6.320 7.072 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.762 5.267 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.038 3.985 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.696 3.887 9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.046 5.632 9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.066 6.656 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.856 4.780 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.689 5.985 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.736 7.513 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.062 6.317 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.498 8.236 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.424 6.861 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.108 8.020 7.301 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.248 3.860 6.514 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.508 2.812 5.823 1.00 0.00 C ATOM 1253 C GLU A 85 -11.128 2.629 6.442 1.00 0.00 C ATOM 1254 O GLU A 85 -10.587 1.524 6.465 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.376 3.145 4.336 1.00 0.00 C ATOM 1256 CG GLU A 85 -13.704 3.438 3.657 1.00 0.00 C ATOM 1257 CD GLU A 85 -13.560 3.651 2.163 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -12.805 4.563 1.763 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.202 2.907 1.393 1.00 0.00 O ATOM 0 H GLU A 85 -13.592 4.604 5.906 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.061 1.879 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.721 4.009 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.894 2.311 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.391 2.611 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.149 4.326 4.106 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.568 3.721 6.952 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.256 3.682 7.580 1.00 0.00 C ATOM 1268 C CYS A 86 -9.369 3.156 9.006 1.00 0.00 C ATOM 1269 O CYS A 86 -8.460 2.492 9.505 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.622 5.075 7.581 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.013 5.158 8.404 1.00 0.00 S ATOM 0 H CYS A 86 -11.004 4.643 6.942 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.618 3.010 7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.508 5.410 6.550 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.303 5.772 8.069 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.068 5.163 7.511 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.495 3.445 9.653 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.723 2.988 11.017 1.00 0.00 C ATOM 1279 C ASP A 87 -10.708 1.466 11.068 1.00 0.00 C ATOM 1280 O ASP A 87 -10.114 0.869 11.964 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.059 3.521 11.544 1.00 0.00 C ATOM 1282 CG ASP A 87 -11.961 4.011 12.976 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.113 3.485 13.727 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.732 4.921 13.346 1.00 0.00 O ATOM 0 H ASP A 87 -11.259 3.991 9.255 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.923 3.371 11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.399 4.337 10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.811 2.734 11.483 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.349 0.850 10.083 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.393 -0.601 9.993 1.00 0.00 C ATOM 1291 C PHE A 88 -10.036 -1.124 9.545 1.00 0.00 C ATOM 1292 O PHE A 88 -9.550 -2.142 10.040 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.481 -1.044 9.015 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.772 -2.517 9.067 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.284 -3.093 10.218 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.533 -3.323 7.966 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -13.553 -4.447 10.270 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.801 -4.678 8.012 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.311 -5.241 9.166 1.00 0.00 C ATOM 0 H PHE A 88 -11.846 1.334 9.335 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.630 -1.011 10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.397 -0.493 9.229 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.178 -0.777 8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.475 -2.477 11.084 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.133 -2.888 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.952 -4.884 11.173 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.612 -5.296 7.147 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.520 -6.300 9.205 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.420 -0.399 8.615 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.109 -0.761 8.107 1.00 0.00 C ATOM 1311 C GLN A 89 -7.090 -0.715 9.239 1.00 0.00 C ATOM 1312 O GLN A 89 -6.163 -1.521 9.289 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.700 0.191 6.980 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.274 -0.006 6.496 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.305 0.959 7.149 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.638 2.117 7.401 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.098 0.486 7.426 1.00 0.00 N ATOM 0 H GLN A 89 -9.813 0.445 8.199 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.146 -1.774 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.381 0.057 6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.818 1.218 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.960 -1.029 6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.239 0.124 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.865 -0.481 7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.402 1.089 7.865 1.00 0.00 H new ATOM 1326 N THR A 90 -7.288 0.228 10.154 1.00 0.00 N ATOM 1327 CA THR A 90 -6.409 0.384 11.305 1.00 0.00 C ATOM 1328 C THR A 90 -6.495 -0.825 12.208 1.00 0.00 C ATOM 1329 O THR A 90 -5.523 -1.548 12.359 1.00 0.00 O ATOM 1330 CB THR A 90 -6.770 1.651 12.081 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.752 2.783 11.230 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.831 1.933 13.233 1.00 0.00 C ATOM 0 H THR A 90 -8.055 0.899 10.119 1.00 0.00 H new ATOM 0 HA THR A 90 -5.384 0.474 10.945 1.00 0.00 H new ATOM 0 HB THR A 90 -7.768 1.471 12.479 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.635 2.898 10.820 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.143 2.845 13.742 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.856 1.099 13.935 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.817 2.058 12.854 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.657 -1.048 12.805 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.838 -2.184 13.702 1.00 0.00 C ATOM 1342 C LYS A 91 -7.313 -3.471 13.081 1.00 0.00 C ATOM 1343 O LYS A 91 -6.883 -4.381 13.790 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.312 -2.341 14.080 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.697 -1.599 15.349 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.855 -0.108 15.095 1.00 0.00 C ATOM 1347 CE LYS A 91 -10.016 0.664 16.395 1.00 0.00 C ATOM 1348 NZ LYS A 91 -8.769 1.387 16.769 1.00 0.00 N ATOM 0 H LYS A 91 -8.484 -0.463 12.687 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.262 -1.987 14.606 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.930 -1.981 13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.535 -3.400 14.207 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.631 -2.004 15.740 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.935 -1.761 16.112 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.985 0.264 14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.723 0.064 14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.833 1.378 16.294 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.290 -0.024 17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.920 1.901 17.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.994 0.704 16.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.521 2.062 16.018 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.331 -3.540 11.758 1.00 0.00 N ATOM 1363 CA PHE A 92 -6.837 -4.716 11.060 1.00 0.00 C ATOM 1364 C PHE A 92 -5.362 -4.548 10.708 1.00 0.00 C ATOM 1365 O PHE A 92 -4.635 -5.528 10.541 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.656 -4.974 9.795 1.00 0.00 C ATOM 1367 CG PHE A 92 -7.849 -6.432 9.489 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -6.812 -7.184 8.960 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -9.065 -7.051 9.733 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -6.986 -8.526 8.679 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -9.244 -8.391 9.454 1.00 0.00 C ATOM 1372 CZ PHE A 92 -8.203 -9.131 8.926 1.00 0.00 C ATOM 0 H PHE A 92 -7.680 -2.800 11.150 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.942 -5.575 11.722 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.633 -4.502 9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.162 -4.496 8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.858 -6.717 8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.882 -6.478 10.146 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.171 -9.102 8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.197 -8.861 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.341 -10.180 8.707 1.00 0.00 H new ATOM 1382 N ALA A 93 -4.928 -3.296 10.595 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.542 -2.992 10.262 1.00 0.00 C ATOM 1384 C ALA A 93 -2.683 -2.823 11.512 1.00 0.00 C ATOM 1385 O ALA A 93 -1.472 -3.041 11.477 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.470 -1.740 9.405 1.00 0.00 C ATOM 0 H ALA A 93 -5.518 -2.475 10.730 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.146 -3.837 9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.429 -1.524 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.031 -1.897 8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.897 -0.900 9.952 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.310 -2.428 12.615 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.600 -2.230 13.865 1.00 0.00 C ATOM 1394 C LEU A 94 -2.442 -3.546 14.591 1.00 0.00 C ATOM 1395 O LEU A 94 -1.362 -3.903 15.062 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.359 -1.234 14.736 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.842 -1.531 14.985 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.016 -2.489 16.139 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.604 -0.238 15.250 1.00 0.00 C ATOM 0 H LEU A 94 -4.311 -2.239 12.664 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.608 -1.832 13.651 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.857 -1.174 15.702 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.281 -0.250 14.275 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.249 -2.001 14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.077 -2.683 16.294 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.505 -3.425 15.915 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.591 -2.051 17.042 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.656 -0.465 15.425 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.188 0.256 16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.514 0.421 14.386 1.00 0.00 H new ATOM 1411 N SER A 95 -3.544 -4.259 14.664 1.00 0.00 N ATOM 1412 CA SER A 95 -3.585 -5.561 15.319 1.00 0.00 C ATOM 1413 C SER A 95 -3.786 -6.672 14.295 1.00 0.00 C ATOM 1414 O SER A 95 -4.731 -7.456 14.385 1.00 0.00 O ATOM 1415 CB SER A 95 -4.702 -5.601 16.366 1.00 0.00 C ATOM 1416 OG SER A 95 -5.978 -5.526 15.757 1.00 0.00 O ATOM 0 H SER A 95 -4.438 -3.960 14.274 1.00 0.00 H new ATOM 0 HA SER A 95 -2.630 -5.719 15.820 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.627 -6.520 16.947 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.580 -4.772 17.064 1.00 0.00 H new ATOM 0 HG SER A 95 -5.995 -4.778 15.124 1.00 0.00 H new ATOM 1422 N LEU A 96 -2.886 -6.727 13.320 1.00 0.00 N ATOM 1423 CA LEU A 96 -2.958 -7.743 12.269 1.00 0.00 C ATOM 1424 C LEU A 96 -2.361 -9.063 12.751 1.00 0.00 C ATOM 1425 O LEU A 96 -3.086 -9.979 13.141 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.241 -7.281 10.986 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.535 -5.924 11.060 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.202 -6.049 11.781 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.331 -5.361 9.664 1.00 0.00 C ATOM 0 H LEU A 96 -2.099 -6.084 13.233 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.012 -7.894 12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.504 -8.037 10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.972 -7.244 10.179 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.166 -5.238 11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.282 -5.073 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.369 -6.414 12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.438 -6.749 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.828 -4.396 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.720 -6.049 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.298 -5.233 9.178 1.00 0.00 H new ATOM 1441 N SER A 97 -1.036 -9.151 12.717 1.00 0.00 N ATOM 1442 CA SER A 97 -0.334 -10.355 13.148 1.00 0.00 C ATOM 1443 C SER A 97 0.827 -10.004 14.078 1.00 0.00 C ATOM 1444 O SER A 97 1.150 -8.830 14.260 1.00 0.00 O ATOM 1445 CB SER A 97 0.182 -11.130 11.931 1.00 0.00 C ATOM 1446 OG SER A 97 -0.450 -12.395 11.827 1.00 0.00 O ATOM 0 H SER A 97 -0.425 -8.401 12.395 1.00 0.00 H new ATOM 0 HA SER A 97 -1.036 -10.982 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.000 -10.553 11.024 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.261 -11.264 12.012 1.00 0.00 H new ATOM 0 HG SER A 97 -0.105 -12.869 11.042 1.00 0.00 H new ATOM 1452 N PRO A 98 1.469 -11.018 14.682 1.00 0.00 N ATOM 1453 CA PRO A 98 2.593 -10.806 15.596 1.00 0.00 C ATOM 1454 C PRO A 98 3.888 -10.470 14.862 1.00 0.00 C ATOM 1455 O PRO A 98 4.765 -11.321 14.709 1.00 0.00 O ATOM 1456 CB PRO A 98 2.717 -12.151 16.310 1.00 0.00 C ATOM 1457 CG PRO A 98 2.224 -13.147 15.318 1.00 0.00 C ATOM 1458 CD PRO A 98 1.148 -12.452 14.524 1.00 0.00 C ATOM 0 HA PRO A 98 2.423 -9.962 16.265 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.749 -12.354 16.597 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.122 -12.172 17.223 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.032 -13.482 14.668 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.829 -14.032 15.818 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.165 -12.753 13.477 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.154 -12.685 14.907 1.00 0.00 H new ATOM 1466 N GLY A 99 4.004 -9.225 14.413 1.00 0.00 N ATOM 1467 CA GLY A 99 5.197 -8.799 13.706 1.00 0.00 C ATOM 1468 C GLY A 99 4.923 -8.433 12.261 1.00 0.00 C ATOM 1469 O GLY A 99 5.686 -8.797 11.366 1.00 0.00 O ATOM 0 H GLY A 99 3.293 -8.503 14.526 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.630 -7.940 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.939 -9.597 13.740 1.00 0.00 H new ATOM 1473 N ALA A 100 3.830 -7.712 12.032 1.00 0.00 N ATOM 1474 CA ALA A 100 3.459 -7.298 10.685 1.00 0.00 C ATOM 1475 C ALA A 100 2.799 -5.922 10.695 1.00 0.00 C ATOM 1476 O ALA A 100 1.870 -5.665 9.930 1.00 0.00 O ATOM 1477 CB ALA A 100 2.532 -8.326 10.053 1.00 0.00 C ATOM 0 H ALA A 100 3.187 -7.403 12.761 1.00 0.00 H new ATOM 0 HA ALA A 100 4.369 -7.231 10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.263 -8.004 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.038 -9.290 10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.630 -8.422 10.657 1.00 0.00 H new ATOM 1483 N HIS A 101 3.284 -5.042 11.565 1.00 0.00 N ATOM 1484 CA HIS A 101 2.737 -3.693 11.668 1.00 0.00 C ATOM 1485 C HIS A 101 3.330 -2.784 10.600 1.00 0.00 C ATOM 1486 O HIS A 101 2.621 -1.990 9.981 1.00 0.00 O ATOM 1487 CB HIS A 101 3.013 -3.116 13.057 1.00 0.00 C ATOM 1488 CG HIS A 101 2.445 -3.939 14.172 1.00 0.00 C ATOM 1489 ND1 HIS A 101 2.030 -5.227 14.198 1.00 0.00 N flip ATOM 1490 CD2 HIS A 101 2.247 -3.449 15.445 1.00 0.00 C flip ATOM 1491 CE1 HIS A 101 1.595 -5.488 15.474 1.00 0.00 C flip ATOM 1492 NE2 HIS A 101 1.737 -4.400 16.208 1.00 0.00 N flip ATOM 0 H HIS A 101 4.052 -5.237 12.207 1.00 0.00 H new ATOM 0 HA HIS A 101 1.660 -3.750 11.513 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.090 -3.025 13.196 1.00 0.00 H new ATOM 0 HB3 HIS A 101 2.599 -2.109 13.112 1.00 0.00 H new ATOM 0 HD2 HIS A 101 2.473 -2.444 15.769 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.200 -6.431 15.821 1.00 0.00 H new ATOM 0 HE2 HIS A 101 1.495 -4.309 17.195 1.00 0.00 H new ATOM 1501 N GLN A 102 4.633 -2.908 10.386 1.00 0.00 N ATOM 1502 CA GLN A 102 5.326 -2.101 9.389 1.00 0.00 C ATOM 1503 C GLN A 102 6.341 -2.943 8.620 1.00 0.00 C ATOM 1504 O GLN A 102 7.335 -2.425 8.113 1.00 0.00 O ATOM 1505 CB GLN A 102 6.029 -0.917 10.055 1.00 0.00 C ATOM 1506 CG GLN A 102 6.933 -1.315 11.211 1.00 0.00 C ATOM 1507 CD GLN A 102 7.996 -0.275 11.506 1.00 0.00 C ATOM 1508 OE1 GLN A 102 8.684 0.199 10.601 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.135 0.086 12.776 1.00 0.00 N ATOM 0 H GLN A 102 5.233 -3.561 10.890 1.00 0.00 H new ATOM 0 HA GLN A 102 4.584 -1.723 8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.621 -0.390 9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.277 -0.216 10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.327 -1.473 12.103 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.414 -2.265 10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.543 -0.333 13.493 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.834 0.783 13.035 1.00 0.00 H new ATOM 1518 N LYS A 103 6.079 -4.244 8.537 1.00 0.00 N ATOM 1519 CA LYS A 103 6.966 -5.158 7.831 1.00 0.00 C ATOM 1520 C LYS A 103 6.420 -5.478 6.443 1.00 0.00 C ATOM 1521 O LYS A 103 7.182 -5.676 5.497 1.00 0.00 O ATOM 1522 CB LYS A 103 7.139 -6.450 8.632 1.00 0.00 C ATOM 1523 CG LYS A 103 8.289 -6.401 9.625 1.00 0.00 C ATOM 1524 CD LYS A 103 7.833 -5.885 10.981 1.00 0.00 C ATOM 1525 CE LYS A 103 8.940 -5.119 11.686 1.00 0.00 C ATOM 1526 NZ LYS A 103 10.076 -6.005 12.065 1.00 0.00 N ATOM 0 H LYS A 103 5.259 -4.688 8.951 1.00 0.00 H new ATOM 0 HA LYS A 103 7.936 -4.673 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.215 -6.661 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.302 -7.277 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.716 -7.398 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.079 -5.758 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.966 -5.237 10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.516 -6.722 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.302 -4.323 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.538 -4.642 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.809 -5.444 12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.736 -6.750 12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.476 -6.441 11.210 1.00 0.00 H new ATOM 1540 N ARG A 104 5.097 -5.527 6.330 1.00 0.00 N ATOM 1541 CA ARG A 104 4.448 -5.823 5.057 1.00 0.00 C ATOM 1542 C ARG A 104 3.673 -4.612 4.544 1.00 0.00 C ATOM 1543 O ARG A 104 3.701 -4.308 3.353 1.00 0.00 O ATOM 1544 CB ARG A 104 3.509 -7.026 5.194 1.00 0.00 C ATOM 1545 CG ARG A 104 2.955 -7.223 6.597 1.00 0.00 C ATOM 1546 CD ARG A 104 2.001 -8.407 6.659 1.00 0.00 C ATOM 1547 NE ARG A 104 0.784 -8.091 7.403 1.00 0.00 N ATOM 1548 CZ ARG A 104 -0.349 -8.781 7.298 1.00 0.00 C ATOM 1549 NH1 ARG A 104 -0.428 -9.824 6.481 1.00 0.00 N ATOM 1550 NH2 ARG A 104 -1.409 -8.427 8.013 1.00 0.00 N ATOM 0 H ARG A 104 4.453 -5.366 7.104 1.00 0.00 H new ATOM 0 HA ARG A 104 5.228 -6.066 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.677 -6.905 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.045 -7.927 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.777 -7.380 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.436 -6.319 6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.738 -8.714 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.503 -9.253 7.128 1.00 0.00 H new ATOM 0 HE ARG A 104 0.804 -7.295 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.383 -10.102 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.300 -10.348 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.355 -7.626 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.278 -8.955 7.933 1.00 0.00 H new ATOM 1564 N LEU A 105 2.984 -3.924 5.450 1.00 0.00 N ATOM 1565 CA LEU A 105 2.206 -2.748 5.081 1.00 0.00 C ATOM 1566 C LEU A 105 2.976 -1.469 5.383 1.00 0.00 C ATOM 1567 O LEU A 105 3.569 -1.328 6.453 1.00 0.00 O ATOM 1568 CB LEU A 105 0.865 -2.732 5.822 1.00 0.00 C ATOM 1569 CG LEU A 105 0.881 -3.336 7.227 1.00 0.00 C ATOM 1570 CD1 LEU A 105 -0.055 -2.572 8.150 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.495 -4.806 7.175 1.00 0.00 C ATOM 0 H LEU A 105 2.949 -4.160 6.442 1.00 0.00 H new ATOM 0 HA LEU A 105 2.018 -2.798 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.522 -1.700 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.132 -3.271 5.222 1.00 0.00 H new ATOM 0 HG LEU A 105 1.893 -3.256 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.029 -3.018 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.263 -1.531 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.071 -2.619 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.511 -5.222 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.507 -4.905 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.204 -5.346 6.548 1.00 0.00 H new ATOM 1583 N ILE A 106 2.964 -0.535 4.436 1.00 0.00 N ATOM 1584 CA ILE A 106 3.665 0.730 4.607 1.00 0.00 C ATOM 1585 C ILE A 106 2.759 1.921 4.290 1.00 0.00 C ATOM 1586 O ILE A 106 2.129 1.969 3.233 1.00 0.00 O ATOM 1587 CB ILE A 106 4.923 0.811 3.719 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.617 0.311 2.301 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.067 0.022 4.344 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.722 -1.192 2.139 1.00 0.00 C ATOM 0 H ILE A 106 2.477 -0.632 3.545 1.00 0.00 H new ATOM 0 HA ILE A 106 3.965 0.774 5.654 1.00 0.00 H new ATOM 0 HB ILE A 106 5.231 1.854 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.610 0.626 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.303 0.790 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.947 0.089 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.299 0.434 5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.774 -1.023 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.491 -1.464 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.735 -1.514 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.016 -1.681 2.810 1.00 0.00 H new ATOM 1602 N PRO A 107 2.684 2.901 5.211 1.00 0.00 N ATOM 1603 CA PRO A 107 1.857 4.102 5.034 1.00 0.00 C ATOM 1604 C PRO A 107 2.460 5.080 4.030 1.00 0.00 C ATOM 1605 O PRO A 107 3.677 5.133 3.852 1.00 0.00 O ATOM 1606 CB PRO A 107 1.845 4.722 6.431 1.00 0.00 C ATOM 1607 CG PRO A 107 3.140 4.297 7.029 1.00 0.00 C ATOM 1608 CD PRO A 107 3.396 2.913 6.503 1.00 0.00 C ATOM 0 HA PRO A 107 0.868 3.864 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.765 5.808 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.999 4.365 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.943 4.978 6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.088 4.299 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.462 2.722 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.014 2.149 7.180 1.00 0.00 H new ATOM 1616 N ILE A 108 1.599 5.853 3.379 1.00 0.00 N ATOM 1617 CA ILE A 108 2.038 6.834 2.393 1.00 0.00 C ATOM 1618 C ILE A 108 1.078 8.022 2.345 1.00 0.00 C ATOM 1619 O ILE A 108 -0.069 7.923 2.777 1.00 0.00 O ATOM 1620 CB ILE A 108 2.150 6.193 0.990 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.301 5.185 0.963 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.354 7.252 -0.087 1.00 0.00 C ATOM 1623 CD1 ILE A 108 2.884 3.784 1.347 1.00 0.00 C ATOM 0 H ILE A 108 0.589 5.819 3.517 1.00 0.00 H new ATOM 0 HA ILE A 108 3.023 7.190 2.695 1.00 0.00 H new ATOM 0 HB ILE A 108 1.214 5.675 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.733 5.166 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.084 5.522 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.429 6.770 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.508 7.939 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.271 7.805 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.750 3.123 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.479 3.789 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.122 3.428 0.653 1.00 0.00 H new ATOM 1635 N LYS A 109 1.556 9.146 1.816 1.00 0.00 N ATOM 1636 CA LYS A 109 0.736 10.348 1.709 1.00 0.00 C ATOM 1637 C LYS A 109 1.412 11.391 0.824 1.00 0.00 C ATOM 1638 O LYS A 109 2.638 11.490 0.791 1.00 0.00 O ATOM 1639 CB LYS A 109 0.457 10.933 3.097 1.00 0.00 C ATOM 1640 CG LYS A 109 1.687 11.503 3.786 1.00 0.00 C ATOM 1641 CD LYS A 109 2.313 10.493 4.731 1.00 0.00 C ATOM 1642 CE LYS A 109 1.910 10.757 6.173 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.545 11.992 6.710 1.00 0.00 N ATOM 0 H LYS A 109 2.505 9.249 1.456 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.212 10.070 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.292 11.719 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.027 10.155 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.419 11.804 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.412 12.400 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.007 9.487 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.399 10.534 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.826 10.850 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.193 9.905 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.848 12.527 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.348 11.733 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.883 12.580 5.921 1.00 0.00 H new ATOM 1657 N TYR A 110 0.604 12.165 0.108 1.00 0.00 N ATOM 1658 CA TYR A 110 1.126 13.201 -0.778 1.00 0.00 C ATOM 1659 C TYR A 110 1.403 14.497 -0.016 1.00 0.00 C ATOM 1660 O TYR A 110 1.986 15.433 -0.564 1.00 0.00 O ATOM 1661 CB TYR A 110 0.141 13.470 -1.917 1.00 0.00 C ATOM 1662 CG TYR A 110 0.610 14.531 -2.888 1.00 0.00 C ATOM 1663 CD1 TYR A 110 1.373 14.195 -3.999 1.00 0.00 C ATOM 1664 CD2 TYR A 110 0.291 15.868 -2.692 1.00 0.00 C ATOM 1665 CE1 TYR A 110 1.805 15.161 -4.888 1.00 0.00 C ATOM 1666 CE2 TYR A 110 0.718 16.841 -3.576 1.00 0.00 C ATOM 1667 CZ TYR A 110 1.476 16.483 -4.671 1.00 0.00 C ATOM 1668 OH TYR A 110 1.903 17.448 -5.554 1.00 0.00 O ATOM 0 H TYR A 110 -0.414 12.096 0.123 1.00 0.00 H new ATOM 0 HA TYR A 110 2.068 12.841 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.033 12.542 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.816 13.775 -1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.633 13.161 -4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.301 16.152 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 110 2.397 14.883 -5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.459 17.876 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 110 1.585 18.326 -5.257 1.00 0.00 H new ATOM 1678 N LYS A 111 0.984 14.549 1.246 1.00 0.00 N ATOM 1679 CA LYS A 111 1.194 15.735 2.068 1.00 0.00 C ATOM 1680 C LYS A 111 0.922 15.432 3.539 1.00 0.00 C ATOM 1681 O LYS A 111 0.473 14.340 3.885 1.00 0.00 O ATOM 1682 CB LYS A 111 0.292 16.876 1.596 1.00 0.00 C ATOM 1683 CG LYS A 111 -1.143 16.452 1.332 1.00 0.00 C ATOM 1684 CD LYS A 111 -2.071 16.883 2.459 1.00 0.00 C ATOM 1685 CE LYS A 111 -3.123 17.867 1.972 1.00 0.00 C ATOM 1686 NZ LYS A 111 -4.112 17.222 1.064 1.00 0.00 N ATOM 0 H LYS A 111 0.499 13.786 1.719 1.00 0.00 H new ATOM 0 HA LYS A 111 2.236 16.038 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.296 17.665 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.709 17.303 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.484 16.887 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.188 15.369 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.561 16.006 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.487 17.340 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.643 18.295 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.635 18.691 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.867 17.899 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.637 16.926 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.523 16.390 1.533 1.00 0.00 H new ATOM 1700 N ALA A 112 1.199 16.405 4.398 1.00 0.00 N ATOM 1701 CA ALA A 112 0.990 16.243 5.831 1.00 0.00 C ATOM 1702 C ALA A 112 -0.494 16.266 6.181 1.00 0.00 C ATOM 1703 O ALA A 112 -1.283 16.971 5.552 1.00 0.00 O ATOM 1704 CB ALA A 112 1.731 17.327 6.598 1.00 0.00 C ATOM 0 H ALA A 112 1.569 17.316 4.127 1.00 0.00 H new ATOM 0 HA ALA A 112 1.387 15.270 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.566 17.194 7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.798 17.259 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.361 18.306 6.293 1.00 0.00 H new ATOM 1710 N MET A 113 -0.864 15.489 7.194 1.00 0.00 N ATOM 1711 CA MET A 113 -2.249 15.410 7.641 1.00 0.00 C ATOM 1712 C MET A 113 -2.571 16.536 8.615 1.00 0.00 C ATOM 1713 O MET A 113 -1.963 16.644 9.681 1.00 0.00 O ATOM 1714 CB MET A 113 -2.504 14.057 8.305 1.00 0.00 C ATOM 1715 CG MET A 113 -2.028 12.878 7.476 1.00 0.00 C ATOM 1716 SD MET A 113 -0.973 11.752 8.409 1.00 0.00 S ATOM 1717 CE MET A 113 -2.013 11.410 9.825 1.00 0.00 C ATOM 0 H MET A 113 -0.219 14.902 7.723 1.00 0.00 H new ATOM 0 HA MET A 113 -2.898 15.514 6.771 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.004 14.036 9.273 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.572 13.950 8.495 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.893 12.331 7.099 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.481 13.247 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.526 11.773 10.730 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.972 11.913 9.702 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.175 10.335 9.906 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.537 17.369 8.244 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.952 18.486 9.083 1.00 0.00 C ATOM 1729 C LYS A 114 -4.453 17.997 10.439 1.00 0.00 C ATOM 1730 O LYS A 114 -4.521 18.766 11.398 1.00 0.00 O ATOM 1731 CB LYS A 114 -5.044 19.297 8.384 1.00 0.00 C ATOM 1732 CG LYS A 114 -4.503 20.420 7.512 1.00 0.00 C ATOM 1733 CD LYS A 114 -5.310 20.571 6.232 1.00 0.00 C ATOM 1734 CE LYS A 114 -4.766 19.685 5.122 1.00 0.00 C ATOM 1735 NZ LYS A 114 -5.625 18.492 4.891 1.00 0.00 N ATOM 0 H LYS A 114 -4.048 17.291 7.365 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.084 19.124 9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.645 18.627 7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.709 19.721 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.524 21.357 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.461 20.220 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.352 20.315 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.292 21.612 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.692 20.262 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.757 19.361 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.025 17.657 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.228 18.332 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.223 18.651 4.055 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.797 16.711 10.520 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.280 16.132 11.770 1.00 0.00 C ATOM 1751 C LYS A 115 -4.226 15.204 12.376 1.00 0.00 C ATOM 1752 O LYS A 115 -3.039 15.332 12.076 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.626 15.422 11.574 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.823 14.818 10.203 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.244 13.423 10.140 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.133 12.438 10.880 1.00 0.00 C ATOM 1757 NZ LYS A 115 -6.756 12.299 12.312 1.00 0.00 N ATOM 0 H LYS A 115 -4.750 16.056 9.740 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.452 16.943 12.478 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.719 14.634 12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.429 16.135 11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.886 14.786 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.347 15.448 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.138 13.115 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.245 13.418 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.170 12.766 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.073 11.464 10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.079 11.377 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.722 12.364 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.203 13.059 12.864 1.00 0.00 H new ATOM 1771 N GLU A 116 -4.646 14.291 13.246 1.00 0.00 N ATOM 1772 CA GLU A 116 -3.716 13.382 13.898 1.00 0.00 C ATOM 1773 C GLU A 116 -3.467 12.131 13.067 1.00 0.00 C ATOM 1774 O GLU A 116 -4.050 11.949 11.997 1.00 0.00 O ATOM 1775 CB GLU A 116 -4.251 12.986 15.275 1.00 0.00 C ATOM 1776 CG GLU A 116 -3.973 14.017 16.356 1.00 0.00 C ATOM 1777 CD GLU A 116 -2.854 13.599 17.289 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -2.795 12.402 17.645 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -2.038 14.465 17.663 1.00 0.00 O ATOM 0 H GLU A 116 -5.622 14.163 13.514 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.766 13.906 14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.327 12.826 15.205 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.806 12.035 15.569 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.715 14.967 15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.881 14.183 16.936 1.00 0.00 H new ATOM 1786 N PHE A 117 -2.594 11.274 13.578 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.249 10.027 12.909 1.00 0.00 C ATOM 1788 C PHE A 117 -2.818 8.835 13.673 1.00 0.00 C ATOM 1789 O PHE A 117 -2.881 8.847 14.903 1.00 0.00 O ATOM 1790 CB PHE A 117 -0.728 9.886 12.782 1.00 0.00 C ATOM 1791 CG PHE A 117 0.047 10.619 13.841 1.00 0.00 C ATOM 1792 CD1 PHE A 117 0.209 10.072 15.103 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.612 11.856 13.574 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.921 10.743 16.080 1.00 0.00 C ATOM 1795 CE2 PHE A 117 1.326 12.532 14.545 1.00 0.00 C ATOM 1796 CZ PHE A 117 1.480 11.974 15.800 1.00 0.00 C ATOM 0 H PHE A 117 -2.108 11.422 14.462 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.685 10.046 11.910 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.467 8.828 12.823 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.420 10.253 11.803 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.226 9.109 15.327 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.493 12.297 12.595 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.040 10.305 17.060 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.763 13.495 14.324 1.00 0.00 H new ATOM 0 HZ PHE A 117 2.037 12.500 16.561 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.238 7.783 12.952 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.801 6.582 13.567 1.00 0.00 C ATOM 1808 C PRO A 118 -2.729 5.658 14.115 1.00 0.00 C ATOM 1809 O PRO A 118 -1.589 5.684 13.654 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.535 5.917 12.405 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.763 6.313 11.198 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.198 7.682 11.481 1.00 0.00 C ATOM 0 HA PRO A 118 -4.437 6.814 14.421 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.561 4.833 12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.569 6.256 12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.965 5.598 10.996 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.404 6.333 10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.181 7.781 11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.792 8.465 11.010 1.00 0.00 H new ATOM 1820 N SER A 119 -3.105 4.818 15.082 1.00 0.00 N ATOM 1821 CA SER A 119 -2.170 3.857 15.655 1.00 0.00 C ATOM 1822 C SER A 119 -1.847 2.842 14.576 1.00 0.00 C ATOM 1823 O SER A 119 -2.275 1.689 14.626 1.00 0.00 O ATOM 1824 CB SER A 119 -2.778 3.166 16.878 1.00 0.00 C ATOM 1825 OG SER A 119 -4.194 3.186 16.825 1.00 0.00 O ATOM 0 H SER A 119 -4.044 4.786 15.480 1.00 0.00 H new ATOM 0 HA SER A 119 -1.265 4.363 15.990 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.428 2.135 16.928 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.438 3.663 17.787 1.00 0.00 H new ATOM 0 HG SER A 119 -4.557 2.737 17.617 1.00 0.00 H new ATOM 1831 N ILE A 120 -1.141 3.321 13.566 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.804 2.527 12.411 1.00 0.00 C ATOM 1833 C ILE A 120 0.526 2.987 11.822 1.00 0.00 C ATOM 1834 O ILE A 120 1.398 2.174 11.509 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.935 2.683 11.369 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -3.096 1.754 11.713 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.447 2.434 9.956 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.746 0.291 11.603 1.00 0.00 C ATOM 0 H ILE A 120 -0.787 4.277 13.530 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.701 1.480 12.695 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.281 3.716 11.408 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.431 1.964 12.729 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.933 1.970 11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.276 2.555 9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.660 3.148 9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.054 1.420 9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.617 -0.312 11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.439 0.066 10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.929 0.060 12.287 1.00 0.00 H new ATOM 1850 N LEU A 121 0.666 4.298 11.683 1.00 0.00 N ATOM 1851 CA LEU A 121 1.880 4.892 11.138 1.00 0.00 C ATOM 1852 C LEU A 121 2.504 5.868 12.134 1.00 0.00 C ATOM 1853 O LEU A 121 3.113 6.863 11.744 1.00 0.00 O ATOM 1854 CB LEU A 121 1.589 5.601 9.805 1.00 0.00 C ATOM 1855 CG LEU A 121 0.365 6.535 9.770 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.925 5.748 9.586 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.287 7.401 11.020 1.00 0.00 C ATOM 0 H LEU A 121 -0.051 4.975 11.942 1.00 0.00 H new ATOM 0 HA LEU A 121 2.593 4.088 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.469 6.183 9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.458 4.839 9.036 1.00 0.00 H new ATOM 0 HG LEU A 121 0.488 7.194 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.771 6.435 9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.883 5.195 8.647 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.046 5.049 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.589 8.047 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.208 6.763 11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.186 8.013 11.095 1.00 0.00 H new ATOM 1869 N ARG A 122 2.337 5.572 13.422 1.00 0.00 N ATOM 1870 CA ARG A 122 2.868 6.415 14.496 1.00 0.00 C ATOM 1871 C ARG A 122 4.252 6.971 14.165 1.00 0.00 C ATOM 1872 O ARG A 122 4.519 8.155 14.366 1.00 0.00 O ATOM 1873 CB ARG A 122 2.926 5.628 15.806 1.00 0.00 C ATOM 1874 CG ARG A 122 3.497 4.228 15.650 1.00 0.00 C ATOM 1875 CD ARG A 122 3.444 3.457 16.960 1.00 0.00 C ATOM 1876 NE ARG A 122 4.525 2.481 17.066 1.00 0.00 N ATOM 1877 CZ ARG A 122 4.508 1.290 16.473 1.00 0.00 C ATOM 1878 NH1 ARG A 122 3.470 0.923 15.732 1.00 0.00 N ATOM 1879 NH2 ARG A 122 5.534 0.461 16.622 1.00 0.00 N ATOM 0 H ARG A 122 1.834 4.748 13.751 1.00 0.00 H new ATOM 0 HA ARG A 122 2.190 7.262 14.605 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.531 6.180 16.525 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.921 5.557 16.222 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.937 3.688 14.886 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.529 4.291 15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.504 4.156 17.794 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.485 2.945 17.041 1.00 0.00 H new ATOM 0 HE ARG A 122 5.341 2.727 17.627 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.678 1.555 15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.464 0.008 15.280 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.334 0.737 17.191 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.522 -0.452 16.168 1.00 0.00 H new ATOM 1893 N PHE A 123 5.127 6.112 13.660 1.00 0.00 N ATOM 1894 CA PHE A 123 6.483 6.524 13.309 1.00 0.00 C ATOM 1895 C PHE A 123 7.158 5.487 12.419 1.00 0.00 C ATOM 1896 O PHE A 123 8.380 5.339 12.439 1.00 0.00 O ATOM 1897 CB PHE A 123 7.312 6.749 14.575 1.00 0.00 C ATOM 1898 CG PHE A 123 8.009 8.078 14.611 1.00 0.00 C ATOM 1899 CD1 PHE A 123 7.353 9.206 15.075 1.00 0.00 C ATOM 1900 CD2 PHE A 123 9.321 8.200 14.180 1.00 0.00 C ATOM 1901 CE1 PHE A 123 7.992 10.432 15.111 1.00 0.00 C ATOM 1902 CE2 PHE A 123 9.965 9.422 14.213 1.00 0.00 C ATOM 1903 CZ PHE A 123 9.299 10.540 14.679 1.00 0.00 C ATOM 0 H PHE A 123 4.925 5.128 13.484 1.00 0.00 H new ATOM 0 HA PHE A 123 6.419 7.460 12.754 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.660 6.667 15.445 1.00 0.00 H new ATOM 0 HB3 PHE A 123 8.056 5.956 14.658 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.330 9.127 15.413 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.846 7.330 13.814 1.00 0.00 H new ATOM 0 HE1 PHE A 123 7.469 11.304 15.476 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.988 9.504 13.875 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.800 11.496 14.705 1.00 0.00 H new ATOM 1913 N ILE A 124 6.354 4.766 11.646 1.00 0.00 N ATOM 1914 CA ILE A 124 6.864 3.742 10.757 1.00 0.00 C ATOM 1915 C ILE A 124 7.273 4.334 9.409 1.00 0.00 C ATOM 1916 O ILE A 124 7.222 5.549 9.215 1.00 0.00 O ATOM 1917 CB ILE A 124 5.807 2.643 10.552 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.669 3.142 9.654 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.263 2.183 11.900 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.516 2.166 9.532 1.00 0.00 C ATOM 0 H ILE A 124 5.340 4.877 11.621 1.00 0.00 H new ATOM 0 HA ILE A 124 7.750 3.306 11.218 1.00 0.00 H new ATOM 0 HB ILE A 124 6.280 1.795 10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.294 4.086 10.049 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.066 3.348 8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.516 1.405 11.744 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.078 1.787 12.505 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.806 3.028 12.415 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.750 2.588 8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 124 3.876 1.229 9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.092 1.979 10.518 1.00 0.00 H new ATOM 1932 N THR A 125 7.682 3.472 8.481 1.00 0.00 N ATOM 1933 CA THR A 125 8.100 3.917 7.154 1.00 0.00 C ATOM 1934 C THR A 125 6.975 4.676 6.455 1.00 0.00 C ATOM 1935 O THR A 125 6.066 4.072 5.889 1.00 0.00 O ATOM 1936 CB THR A 125 8.529 2.718 6.306 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.649 2.071 6.882 1.00 0.00 O ATOM 1938 CG2 THR A 125 8.893 3.087 4.884 1.00 0.00 C ATOM 0 H THR A 125 7.733 2.463 8.623 1.00 0.00 H new ATOM 0 HA THR A 125 8.948 4.592 7.272 1.00 0.00 H new ATOM 0 HB THR A 125 7.661 2.059 6.281 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.907 1.306 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.188 2.190 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.032 3.542 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.722 3.795 4.893 1.00 0.00 H new ATOM 1946 N VAL A 126 7.044 6.002 6.496 1.00 0.00 N ATOM 1947 CA VAL A 126 6.031 6.836 5.869 1.00 0.00 C ATOM 1948 C VAL A 126 6.601 7.616 4.687 1.00 0.00 C ATOM 1949 O VAL A 126 7.727 8.109 4.740 1.00 0.00 O ATOM 1950 CB VAL A 126 5.423 7.824 6.883 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.463 8.838 7.342 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.210 8.523 6.288 1.00 0.00 C ATOM 0 H VAL A 126 7.792 6.520 6.957 1.00 0.00 H new ATOM 0 HA VAL A 126 5.251 6.167 5.505 1.00 0.00 H new ATOM 0 HB VAL A 126 5.096 7.259 7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.011 9.525 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.295 8.317 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.829 9.399 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.795 9.217 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.508 9.073 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.457 7.781 6.023 1.00 0.00 H new ATOM 1962 N CYS A 127 5.812 7.723 3.622 1.00 0.00 N ATOM 1963 CA CYS A 127 6.233 8.443 2.426 1.00 0.00 C ATOM 1964 C CYS A 127 5.442 9.739 2.265 1.00 0.00 C ATOM 1965 O CYS A 127 4.242 9.714 1.993 1.00 0.00 O ATOM 1966 CB CYS A 127 6.054 7.565 1.187 1.00 0.00 C ATOM 1967 SG CYS A 127 6.729 5.897 1.361 1.00 0.00 S ATOM 0 H CYS A 127 4.877 7.320 3.563 1.00 0.00 H new ATOM 0 HA CYS A 127 7.288 8.693 2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 127 4.991 7.493 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.532 8.052 0.337 1.00 0.00 H new ATOM 0 HG CYS A 127 7.992 5.906 1.055 1.00 0.00 H new ATOM 1973 N ASP A 128 6.123 10.868 2.433 1.00 0.00 N ATOM 1974 CA ASP A 128 5.481 12.173 2.307 1.00 0.00 C ATOM 1975 C ASP A 128 6.346 13.126 1.490 1.00 0.00 C ATOM 1976 O ASP A 128 7.574 13.092 1.573 1.00 0.00 O ATOM 1977 CB ASP A 128 5.210 12.769 3.689 1.00 0.00 C ATOM 1978 CG ASP A 128 4.066 13.765 3.674 1.00 0.00 C ATOM 1979 OD1 ASP A 128 3.772 14.315 2.592 1.00 0.00 O ATOM 1980 OD2 ASP A 128 3.466 13.996 4.745 1.00 0.00 O ATOM 0 H ASP A 128 7.118 10.906 2.656 1.00 0.00 H new ATOM 0 HA ASP A 128 4.532 12.035 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.980 11.966 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.112 13.261 4.053 1.00 0.00 H new ATOM 1985 N TYR A 129 5.699 13.975 0.698 1.00 0.00 N ATOM 1986 CA TYR A 129 6.415 14.933 -0.133 1.00 0.00 C ATOM 1987 C TYR A 129 7.037 16.030 0.724 1.00 0.00 C ATOM 1988 O TYR A 129 6.467 17.110 0.881 1.00 0.00 O ATOM 1989 CB TYR A 129 5.486 15.556 -1.177 1.00 0.00 C ATOM 1990 CG TYR A 129 5.135 14.625 -2.318 1.00 0.00 C ATOM 1991 CD1 TYR A 129 4.750 13.310 -2.081 1.00 0.00 C ATOM 1992 CD2 TYR A 129 5.192 15.064 -3.635 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.431 12.461 -3.124 1.00 0.00 C ATOM 1994 CE2 TYR A 129 4.874 14.220 -4.683 1.00 0.00 C ATOM 1995 CZ TYR A 129 4.495 12.921 -4.423 1.00 0.00 C ATOM 1996 OH TYR A 129 4.179 12.077 -5.463 1.00 0.00 O ATOM 0 H TYR A 129 4.683 14.018 0.615 1.00 0.00 H new ATOM 0 HA TYR A 129 7.209 14.394 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.567 15.876 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.959 16.450 -1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 129 4.699 12.946 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.490 16.081 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.133 11.443 -2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 129 4.922 14.577 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 129 4.274 12.556 -6.313 1.00 0.00 H new ATOM 2006 N THR A 130 8.217 15.748 1.263 1.00 0.00 N ATOM 2007 CA THR A 130 8.929 16.713 2.092 1.00 0.00 C ATOM 2008 C THR A 130 9.856 17.548 1.222 1.00 0.00 C ATOM 2009 O THR A 130 10.028 18.748 1.434 1.00 0.00 O ATOM 2010 CB THR A 130 9.731 15.996 3.180 1.00 0.00 C ATOM 2011 OG1 THR A 130 10.691 15.128 2.605 1.00 0.00 O ATOM 2012 CG2 THR A 130 8.871 15.174 4.115 1.00 0.00 C ATOM 0 H THR A 130 8.701 14.859 1.141 1.00 0.00 H new ATOM 0 HA THR A 130 8.203 17.367 2.575 1.00 0.00 H new ATOM 0 HB THR A 130 10.209 16.789 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.195 14.680 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.503 14.693 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.151 15.824 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.339 14.413 3.545 1.00 0.00 H new ATOM 2020 N ASN A 131 10.434 16.891 0.226 1.00 0.00 N ATOM 2021 CA ASN A 131 11.334 17.536 -0.716 1.00 0.00 C ATOM 2022 C ASN A 131 11.139 16.924 -2.099 1.00 0.00 C ATOM 2023 O ASN A 131 12.089 16.449 -2.721 1.00 0.00 O ATOM 2024 CB ASN A 131 12.788 17.379 -0.265 1.00 0.00 C ATOM 2025 CG ASN A 131 13.657 18.544 -0.697 1.00 0.00 C ATOM 2026 OD1 ASN A 131 13.537 19.041 -1.818 1.00 0.00 O ATOM 2027 ND2 ASN A 131 14.538 18.986 0.191 1.00 0.00 N ATOM 0 H ASN A 131 10.291 15.897 0.049 1.00 0.00 H new ATOM 0 HA ASN A 131 11.106 18.601 -0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.821 17.288 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 131 13.195 16.454 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 131 15.150 19.768 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 131 14.603 18.544 1.108 1.00 0.00 H new ATOM 2034 N PRO A 132 9.887 16.919 -2.595 1.00 0.00 N ATOM 2035 CA PRO A 132 9.548 16.354 -3.900 1.00 0.00 C ATOM 2036 C PRO A 132 10.496 16.823 -4.995 1.00 0.00 C ATOM 2037 O PRO A 132 10.722 16.120 -5.979 1.00 0.00 O ATOM 2038 CB PRO A 132 8.119 16.860 -4.168 1.00 0.00 C ATOM 2039 CG PRO A 132 7.824 17.841 -3.078 1.00 0.00 C ATOM 2040 CD PRO A 132 8.698 17.455 -1.923 1.00 0.00 C ATOM 0 HA PRO A 132 9.626 15.267 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.048 17.331 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.404 16.037 -4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 132 8.035 18.860 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.771 17.808 -2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.939 18.310 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.222 16.711 -1.284 1.00 0.00 H new ATOM 2048 N CYS A 133 11.049 18.014 -4.808 1.00 0.00 N ATOM 2049 CA CYS A 133 11.983 18.586 -5.775 1.00 0.00 C ATOM 2050 C CYS A 133 13.061 17.574 -6.149 1.00 0.00 C ATOM 2051 O CYS A 133 13.397 17.410 -7.323 1.00 0.00 O ATOM 2052 CB CYS A 133 12.630 19.850 -5.205 1.00 0.00 C ATOM 2053 SG CYS A 133 13.197 21.019 -6.463 1.00 0.00 S ATOM 0 H CYS A 133 10.868 18.605 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 133 11.424 18.847 -6.674 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.913 20.351 -4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.477 19.563 -4.583 1.00 0.00 H new ATOM 0 HG CYS A 133 13.727 22.056 -5.885 1.00 0.00 H new ATOM 2059 N THR A 134 13.593 16.896 -5.141 1.00 0.00 N ATOM 2060 CA THR A 134 14.629 15.890 -5.351 1.00 0.00 C ATOM 2061 C THR A 134 14.121 14.501 -4.974 1.00 0.00 C ATOM 2062 O THR A 134 14.586 13.492 -5.505 1.00 0.00 O ATOM 2063 CB THR A 134 15.877 16.231 -4.536 1.00 0.00 C ATOM 2064 OG1 THR A 134 15.653 15.997 -3.157 1.00 0.00 O ATOM 2065 CG2 THR A 134 16.319 17.670 -4.692 1.00 0.00 C ATOM 0 H THR A 134 13.324 17.024 -4.166 1.00 0.00 H new ATOM 0 HA THR A 134 14.889 15.887 -6.410 1.00 0.00 H new ATOM 0 HB THR A 134 16.663 15.583 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 134 16.463 16.219 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 134 17.209 17.845 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 134 16.547 17.869 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.520 18.334 -4.362 1.00 0.00 H new ATOM 2073 N LYS A 135 13.160 14.457 -4.057 1.00 0.00 N ATOM 2074 CA LYS A 135 12.582 13.196 -3.610 1.00 0.00 C ATOM 2075 C LYS A 135 11.618 12.629 -4.653 1.00 0.00 C ATOM 2076 O LYS A 135 11.097 11.527 -4.491 1.00 0.00 O ATOM 2077 CB LYS A 135 11.852 13.390 -2.278 1.00 0.00 C ATOM 2078 CG LYS A 135 12.001 12.214 -1.326 1.00 0.00 C ATOM 2079 CD LYS A 135 12.701 12.617 -0.037 1.00 0.00 C ATOM 2080 CE LYS A 135 13.779 11.619 0.349 1.00 0.00 C ATOM 2081 NZ LYS A 135 14.906 12.269 1.074 1.00 0.00 N ATOM 0 H LYS A 135 12.764 15.283 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 135 13.396 12.484 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 135 12.231 14.290 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 135 10.793 13.556 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 135 11.017 11.807 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.567 11.420 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 135 13.145 13.605 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.969 12.692 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 135 13.345 10.841 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.159 11.130 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.620 11.553 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 15.337 12.994 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 14.549 12.714 1.944 1.00 0.00 H new ATOM 2095 N SER A 136 11.379 13.389 -5.722 1.00 0.00 N ATOM 2096 CA SER A 136 10.472 12.961 -6.785 1.00 0.00 C ATOM 2097 C SER A 136 10.767 11.532 -7.240 1.00 0.00 C ATOM 2098 O SER A 136 9.889 10.849 -7.768 1.00 0.00 O ATOM 2099 CB SER A 136 10.569 13.914 -7.977 1.00 0.00 C ATOM 2100 OG SER A 136 9.949 13.361 -9.125 1.00 0.00 O ATOM 0 H SER A 136 11.802 14.305 -5.874 1.00 0.00 H new ATOM 0 HA SER A 136 9.460 12.983 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 136 10.096 14.864 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.616 14.126 -8.192 1.00 0.00 H new ATOM 0 HG SER A 136 10.024 13.991 -9.872 1.00 0.00 H new ATOM 2106 N TRP A 137 12.004 11.083 -7.038 1.00 0.00 N ATOM 2107 CA TRP A 137 12.402 9.737 -7.437 1.00 0.00 C ATOM 2108 C TRP A 137 12.022 8.695 -6.381 1.00 0.00 C ATOM 2109 O TRP A 137 12.420 7.535 -6.479 1.00 0.00 O ATOM 2110 CB TRP A 137 13.908 9.684 -7.696 1.00 0.00 C ATOM 2111 CG TRP A 137 14.373 10.691 -8.703 1.00 0.00 C ATOM 2112 CD1 TRP A 137 14.680 12.002 -8.471 1.00 0.00 C ATOM 2113 CD2 TRP A 137 14.585 10.470 -10.102 1.00 0.00 C ATOM 2114 NE1 TRP A 137 15.069 12.608 -9.640 1.00 0.00 N ATOM 2115 CE2 TRP A 137 15.020 11.690 -10.656 1.00 0.00 C ATOM 2116 CE3 TRP A 137 14.451 9.359 -10.940 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 15.320 11.827 -12.008 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 14.750 9.498 -12.282 1.00 0.00 C ATOM 2119 CH2 TRP A 137 15.180 10.725 -12.804 1.00 0.00 C ATOM 0 H TRP A 137 12.745 11.631 -6.601 1.00 0.00 H new ATOM 0 HA TRP A 137 11.865 9.497 -8.355 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.437 9.849 -6.757 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.175 8.685 -8.041 1.00 0.00 H new ATOM 0 HD1 TRP A 137 14.625 12.490 -7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 137 15.349 13.584 -9.737 1.00 0.00 H new ATOM 0 HE3 TRP A 137 14.120 8.410 -10.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 15.652 12.771 -12.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 14.651 8.647 -12.939 1.00 0.00 H new ATOM 0 HH2 TRP A 137 15.406 10.802 -13.857 1.00 0.00 H new ATOM 2130 N PHE A 138 11.253 9.107 -5.375 1.00 0.00 N ATOM 2131 CA PHE A 138 10.833 8.194 -4.317 1.00 0.00 C ATOM 2132 C PHE A 138 10.085 6.994 -4.894 1.00 0.00 C ATOM 2133 O PHE A 138 10.026 5.932 -4.275 1.00 0.00 O ATOM 2134 CB PHE A 138 9.947 8.919 -3.303 1.00 0.00 C ATOM 2135 CG PHE A 138 9.962 8.294 -1.937 1.00 0.00 C ATOM 2136 CD1 PHE A 138 9.316 7.091 -1.704 1.00 0.00 C ATOM 2137 CD2 PHE A 138 10.625 8.910 -0.887 1.00 0.00 C ATOM 2138 CE1 PHE A 138 9.330 6.513 -0.448 1.00 0.00 C ATOM 2139 CE2 PHE A 138 10.642 8.337 0.371 1.00 0.00 C ATOM 2140 CZ PHE A 138 9.994 7.137 0.591 1.00 0.00 C ATOM 0 H PHE A 138 10.910 10.062 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 138 11.729 7.834 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 138 10.274 9.956 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.922 8.936 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 138 8.796 6.599 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 138 11.134 9.848 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 138 8.822 5.575 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 138 11.161 8.827 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 138 10.006 6.687 1.573 1.00 0.00 H new ATOM 2150 N TRP A 139 9.515 7.169 -6.085 1.00 0.00 N ATOM 2151 CA TRP A 139 8.773 6.099 -6.746 1.00 0.00 C ATOM 2152 C TRP A 139 9.602 4.819 -6.806 1.00 0.00 C ATOM 2153 O TRP A 139 9.062 3.715 -6.759 1.00 0.00 O ATOM 2154 CB TRP A 139 8.374 6.525 -8.160 1.00 0.00 C ATOM 2155 CG TRP A 139 7.188 7.440 -8.196 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.113 7.427 -7.353 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.956 8.505 -9.126 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.228 8.417 -7.702 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.722 9.093 -8.787 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.670 9.018 -10.211 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 5.190 10.168 -9.494 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 7.141 10.084 -10.913 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.912 10.650 -10.552 1.00 0.00 C ATOM 0 H TRP A 139 9.553 8.042 -6.611 1.00 0.00 H new ATOM 0 HA TRP A 139 7.873 5.902 -6.164 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.221 7.022 -8.634 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.155 5.636 -8.751 1.00 0.00 H new ATOM 0 HD1 TRP A 139 5.979 6.738 -6.532 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.346 8.617 -7.230 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.619 8.589 -10.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 4.242 10.606 -9.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.685 10.488 -11.754 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.526 11.484 -11.120 1.00 0.00 H new ATOM 2174 N THR A 140 10.916 4.979 -6.911 1.00 0.00 N ATOM 2175 CA THR A 140 11.823 3.839 -6.978 1.00 0.00 C ATOM 2176 C THR A 140 11.978 3.187 -5.609 1.00 0.00 C ATOM 2177 O THR A 140 12.091 1.966 -5.503 1.00 0.00 O ATOM 2178 CB THR A 140 13.190 4.282 -7.504 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.066 4.882 -8.782 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.184 3.149 -7.624 1.00 0.00 C ATOM 0 H THR A 140 11.378 5.888 -6.952 1.00 0.00 H new ATOM 0 HA THR A 140 11.398 3.105 -7.663 1.00 0.00 H new ATOM 0 HB THR A 140 13.564 4.993 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.950 5.160 -9.100 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.131 3.534 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.341 2.698 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.797 2.397 -8.312 1.00 0.00 H new ATOM 2188 N ARG A 141 11.982 4.008 -4.564 1.00 0.00 N ATOM 2189 CA ARG A 141 12.122 3.508 -3.200 1.00 0.00 C ATOM 2190 C ARG A 141 10.999 2.533 -2.861 1.00 0.00 C ATOM 2191 O ARG A 141 11.247 1.435 -2.361 1.00 0.00 O ATOM 2192 CB ARG A 141 12.122 4.670 -2.206 1.00 0.00 C ATOM 2193 CG ARG A 141 13.489 5.307 -2.017 1.00 0.00 C ATOM 2194 CD ARG A 141 13.377 6.797 -1.728 1.00 0.00 C ATOM 2195 NE ARG A 141 13.705 7.112 -0.340 1.00 0.00 N ATOM 2196 CZ ARG A 141 14.917 6.959 0.188 1.00 0.00 C ATOM 2197 NH1 ARG A 141 15.918 6.497 -0.552 1.00 0.00 N ATOM 2198 NH2 ARG A 141 15.131 7.270 1.460 1.00 0.00 N ATOM 0 H ARG A 141 11.890 5.021 -4.635 1.00 0.00 H new ATOM 0 HA ARG A 141 13.072 2.979 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.420 5.430 -2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.760 4.313 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.010 4.815 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 141 14.090 5.154 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 141 14.045 7.346 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 141 12.363 7.133 -1.946 1.00 0.00 H new ATOM 0 HE ARG A 141 12.962 7.470 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 141 15.760 6.257 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 141 16.845 6.382 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 141 14.366 7.626 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 141 16.060 7.153 1.864 1.00 0.00 H new ATOM 2212 N LEU A 142 9.765 2.940 -3.139 1.00 0.00 N ATOM 2213 CA LEU A 142 8.604 2.101 -2.865 1.00 0.00 C ATOM 2214 C LEU A 142 8.529 0.942 -3.853 1.00 0.00 C ATOM 2215 O LEU A 142 8.103 -0.159 -3.502 1.00 0.00 O ATOM 2216 CB LEU A 142 7.321 2.931 -2.937 1.00 0.00 C ATOM 2217 CG LEU A 142 6.229 2.523 -1.945 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.864 1.057 -2.129 1.00 0.00 C ATOM 2219 CD2 LEU A 142 6.681 2.786 -0.517 1.00 0.00 C ATOM 0 H LEU A 142 9.543 3.845 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 142 8.709 1.694 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.573 3.978 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.917 2.861 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 142 5.342 3.126 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.086 0.783 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.499 0.898 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.745 0.439 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.892 2.490 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.582 2.209 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.893 3.848 -0.392 1.00 0.00 H new ATOM 2231 N ALA A 143 8.947 1.197 -5.088 1.00 0.00 N ATOM 2232 CA ALA A 143 8.928 0.175 -6.127 1.00 0.00 C ATOM 2233 C ALA A 143 9.818 -1.005 -5.750 1.00 0.00 C ATOM 2234 O ALA A 143 9.426 -2.162 -5.894 1.00 0.00 O ATOM 2235 CB ALA A 143 9.368 0.767 -7.457 1.00 0.00 C ATOM 0 H ALA A 143 9.303 2.103 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 143 7.906 -0.191 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.349 -0.007 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.690 1.573 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.380 1.160 -7.363 1.00 0.00 H new ATOM 2241 N LYS A 144 11.017 -0.703 -5.264 1.00 0.00 N ATOM 2242 CA LYS A 144 11.965 -1.738 -4.864 1.00 0.00 C ATOM 2243 C LYS A 144 11.660 -2.249 -3.457 1.00 0.00 C ATOM 2244 O LYS A 144 12.124 -3.320 -3.065 1.00 0.00 O ATOM 2245 CB LYS A 144 13.395 -1.201 -4.924 1.00 0.00 C ATOM 2246 CG LYS A 144 13.656 -0.056 -3.956 1.00 0.00 C ATOM 2247 CD LYS A 144 14.918 -0.292 -3.139 1.00 0.00 C ATOM 2248 CE LYS A 144 14.756 -1.470 -2.191 1.00 0.00 C ATOM 2249 NZ LYS A 144 15.263 -1.158 -0.825 1.00 0.00 N ATOM 0 H LYS A 144 11.356 0.251 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 144 11.866 -2.570 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 144 14.089 -2.014 -4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.605 -0.863 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.750 0.877 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.804 0.057 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.758 -0.476 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 144 15.156 0.606 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 144 13.703 -1.747 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 144 15.291 -2.332 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 15.134 -1.986 -0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.274 -0.918 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 14.735 -0.351 -0.435 1.00 0.00 H new ATOM 2263 N ALA A 145 10.880 -1.480 -2.701 1.00 0.00 N ATOM 2264 CA ALA A 145 10.517 -1.861 -1.341 1.00 0.00 C ATOM 2265 C ALA A 145 9.330 -2.819 -1.333 1.00 0.00 C ATOM 2266 O ALA A 145 9.072 -3.494 -0.336 1.00 0.00 O ATOM 2267 CB ALA A 145 10.201 -0.624 -0.515 1.00 0.00 C ATOM 0 H ALA A 145 10.488 -0.590 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 145 11.368 -2.377 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.931 -0.922 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.076 0.025 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.368 -0.087 -0.969 1.00 0.00 H new ATOM 2273 N LEU A 146 8.608 -2.874 -2.448 1.00 0.00 N ATOM 2274 CA LEU A 146 7.451 -3.749 -2.568 1.00 0.00 C ATOM 2275 C LEU A 146 7.847 -5.095 -3.166 1.00 0.00 C ATOM 2276 O LEU A 146 7.199 -6.111 -2.918 1.00 0.00 O ATOM 2277 CB LEU A 146 6.375 -3.090 -3.433 1.00 0.00 C ATOM 2278 CG LEU A 146 5.371 -2.226 -2.671 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.632 -1.299 -3.625 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.388 -3.101 -1.908 1.00 0.00 C ATOM 0 H LEU A 146 8.806 -2.321 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 146 7.050 -3.920 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.864 -2.473 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.830 -3.870 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 146 5.917 -1.614 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.921 -0.692 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.348 -0.649 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.097 -1.892 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.680 -2.470 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.848 -3.737 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 146 4.931 -3.724 -1.197 1.00 0.00 H new ATOM 2292 N SER A 147 8.914 -5.092 -3.958 1.00 0.00 N ATOM 2293 CA SER A 147 9.395 -6.309 -4.593 1.00 0.00 C ATOM 2294 C SER A 147 10.918 -6.393 -4.530 1.00 0.00 C ATOM 2295 O SER A 147 11.584 -6.586 -5.547 1.00 0.00 O ATOM 2296 CB SER A 147 8.927 -6.371 -6.047 1.00 0.00 C ATOM 2297 OG SER A 147 8.915 -7.707 -6.524 1.00 0.00 O ATOM 0 H SER A 147 9.461 -4.259 -4.174 1.00 0.00 H new ATOM 0 HA SER A 147 8.981 -7.159 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 147 7.928 -5.944 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 147 9.585 -5.765 -6.670 1.00 0.00 H new ATOM 0 HG SER A 147 8.611 -7.719 -7.455 1.00 0.00 H new