USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1146 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 41 THR OG1 : rot 168:sc= 1.17 USER MOD Set 1.2: A 163 GLN :FLIP amide:sc= 1.09 F(o=0.25,f=2.3) USER MOD Set 2.1: A 100 MET CE :methyl 140:sc= -3.7 (180deg=-1.44!) USER MOD Set 2.2: A 102 ASN : amide:sc= -1.85 K(o=-11,f=-21!) USER MOD Set 2.3: A 108 ASN : amide:sc= -5.23! C(o=-11!,f=-20!) USER MOD Set 3.1: A 92 HIS :FLIP no HD1:sc= -4.54 F(o=-4.2!,f=-3.3) USER MOD Set 3.2: A 99 SER OG : rot -88:sc= 1.22 USER MOD Single : A 3 ASN : amide:sc= -0.187 K(o=-0.19,f=-5.4!) USER MOD Single : A 5 THR OG1 : rot -63:sc= 0.826 USER MOD Single : A 21 SER OG : rot 26:sc= 0.987 USER MOD Single : A 28 LYS NZ :NH3+ -135:sc= 2.1 (180deg=0.514) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 1.34 (180deg=0.797) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00698 USER MOD Single : A 35 ASN : amide:sc= -0.295 K(o=-0.3,f=-4.1!) USER MOD Single : A 40 SER OG : rot 67:sc= 1.1 USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 1.13 (180deg=0.887) USER MOD Single : A 48 TYR OH : rot 133:sc= 1.97 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 1.18 (180deg=0.163) USER MOD Single : A 51 SER OG : rot 50:sc= 1.12 USER MOD Single : A 52 CYS SG : rot 30:sc= 0.33 USER MOD Single : A 54 HIS : no HE2:sc= -3.17 K(o=-3.2,f=-8.3!) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.0254 (180deg=-0.0254) USER MOD Single : A 62 CYS SG : rot 17:sc= 0.00891 USER MOD Single : A 63 GLN : amide:sc= -1.33 X(o=-1.3,f=-0.92) USER MOD Single : A 77 SER OG : rot 3:sc= 0.834 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 140:sc= 1.14 (180deg=-0.12) USER MOD Single : A 87 ASN : amide:sc= -1.66! C(o=-1.7!,f=-1.2!) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 1.05 (180deg=0.676) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 106 ASN : amide:sc= -1.03 K(o=-1,f=-4.1!) USER MOD Single : A 107 THR OG1 : rot 91:sc= 0.0204 USER MOD Single : A 110 SER OG : rot 180:sc= 0.611 USER MOD Single : A 111 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.1!) USER MOD Single : A 115 CYS SG : rot 98:sc= 0.155 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= 1.91 (180deg=0.824) USER MOD Single : A 119 THR OG1 : rot 56:sc= -0.0549 USER MOD Single : A 125 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0141) USER MOD Single : A 126 HIS : no HE2:sc= 0.0122 K(o=0.012,f=-5.6!) USER MOD Single : A 131 LYS NZ :NH3+ 153:sc= 1.21 (180deg=-0.0397) USER MOD Single : A 133 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.19) USER MOD Single : A 136 MET CE :methyl -135:sc= -0.191 (180deg=-1.07) USER MOD Single : A 137 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 142 MET CE :methyl -168:sc=-0.00453 (180deg=-0.319) USER MOD Single : A 147 SER OG : rot -12:sc= 0.67 USER MOD Single : A 149 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.8!) USER MOD Single : A 151 LYS NZ :NH3+ 165:sc= 2.38 (180deg=1.95) USER MOD Single : A 152 THR OG1 : rot 91:sc= -0.408 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -143:sc= 0.946 (180deg=-3.04!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 7:sc= 0.351 USER MOD Single : A 161 CYS SG : rot 95:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 3 0.243 -17.144 -6.806 1.00 1.64 N ATOM 35 CA ASN A 3 -0.414 -15.955 -6.289 1.00 1.09 C ATOM 36 C ASN A 3 -0.347 -15.965 -4.761 1.00 0.99 C ATOM 37 O ASN A 3 -1.327 -16.296 -4.094 1.00 1.17 O ATOM 38 CB ASN A 3 -1.889 -15.921 -6.697 1.00 1.00 C ATOM 39 CG ASN A 3 -2.035 -15.775 -8.213 1.00 1.41 C ATOM 40 OD1 ASN A 3 -1.519 -14.854 -8.826 1.00 2.52 O ATOM 41 ND2 ASN A 3 -2.763 -16.731 -8.781 1.00 1.64 N ATOM 0 HA ASN A 3 0.095 -15.082 -6.699 1.00 1.09 H new ATOM 0 HB2 ASN A 3 -2.383 -16.835 -6.367 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -2.389 -15.091 -6.198 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -2.918 -16.723 -9.789 1.00 1.64 H new ATOM 0 HD22 ASN A 3 -3.166 -17.473 -8.209 1.00 1.64 H new ATOM 48 N PRO A 4 0.850 -15.588 -4.236 1.00 0.92 N ATOM 49 CA PRO A 4 1.129 -15.747 -2.818 1.00 0.87 C ATOM 50 C PRO A 4 0.394 -14.690 -1.992 1.00 0.71 C ATOM 51 O PRO A 4 -0.095 -13.701 -2.536 1.00 0.83 O ATOM 52 CB PRO A 4 2.641 -15.647 -2.702 1.00 1.13 C ATOM 53 CG PRO A 4 3.114 -14.974 -3.981 1.00 1.26 C ATOM 54 CD PRO A 4 1.964 -15.002 -4.974 1.00 1.11 C ATOM 0 HA PRO A 4 0.774 -16.699 -2.423 1.00 0.87 H new ATOM 0 HB2 PRO A 4 2.928 -15.066 -1.826 1.00 1.13 H new ATOM 0 HB3 PRO A 4 3.090 -16.634 -2.591 1.00 1.13 H new ATOM 0 HG2 PRO A 4 3.421 -13.947 -3.781 1.00 1.26 H new ATOM 0 HG3 PRO A 4 3.982 -15.493 -4.387 1.00 1.26 H new ATOM 0 HD2 PRO A 4 1.721 -14.000 -5.327 1.00 1.11 H new ATOM 0 HD3 PRO A 4 2.214 -15.597 -5.852 1.00 1.11 H new ATOM 62 N THR A 5 0.339 -14.935 -0.691 1.00 0.72 N ATOM 63 CA THR A 5 -0.361 -14.035 0.211 1.00 0.61 C ATOM 64 C THR A 5 0.595 -13.504 1.281 1.00 0.58 C ATOM 65 O THR A 5 1.542 -14.187 1.668 1.00 0.67 O ATOM 66 CB THR A 5 -1.562 -14.786 0.788 1.00 0.67 C ATOM 67 OG1 THR A 5 -2.662 -14.334 0.003 1.00 1.29 O ATOM 68 CG2 THR A 5 -1.908 -14.333 2.208 1.00 1.17 C ATOM 0 H THR A 5 0.767 -15.743 -0.240 1.00 0.72 H new ATOM 0 HA THR A 5 -0.731 -13.155 -0.315 1.00 0.61 H new ATOM 0 HB THR A 5 -1.356 -15.856 0.788 1.00 0.67 H new ATOM 0 HG1 THR A 5 -2.782 -13.370 0.133 1.00 1.29 H new ATOM 0 HG21 THR A 5 -2.767 -14.897 2.571 1.00 1.17 H new ATOM 0 HG22 THR A 5 -1.055 -14.509 2.864 1.00 1.17 H new ATOM 0 HG23 THR A 5 -2.148 -13.270 2.202 1.00 1.17 H new ATOM 76 N VAL A 6 0.314 -12.289 1.729 1.00 0.56 N ATOM 77 CA VAL A 6 1.120 -11.669 2.767 1.00 0.58 C ATOM 78 C VAL A 6 0.199 -11.110 3.854 1.00 0.58 C ATOM 79 O VAL A 6 -1.018 -11.078 3.686 1.00 0.65 O ATOM 80 CB VAL A 6 2.036 -10.608 2.156 1.00 0.67 C ATOM 81 CG1 VAL A 6 2.888 -11.201 1.031 1.00 1.09 C ATOM 82 CG2 VAL A 6 1.229 -9.408 1.657 1.00 1.23 C ATOM 0 H VAL A 6 -0.461 -11.717 1.392 1.00 0.56 H new ATOM 0 HA VAL A 6 1.770 -12.407 3.238 1.00 0.58 H new ATOM 0 HB VAL A 6 2.710 -10.257 2.938 1.00 0.67 H new ATOM 0 HG11 VAL A 6 3.530 -10.426 0.614 1.00 1.09 H new ATOM 0 HG12 VAL A 6 3.504 -12.008 1.428 1.00 1.09 H new ATOM 0 HG13 VAL A 6 2.237 -11.593 0.249 1.00 1.09 H new ATOM 0 HG21 VAL A 6 1.905 -8.668 1.227 1.00 1.23 H new ATOM 0 HG22 VAL A 6 0.520 -9.737 0.897 1.00 1.23 H new ATOM 0 HG23 VAL A 6 0.686 -8.962 2.491 1.00 1.23 H new ATOM 92 N PHE A 7 0.817 -10.684 4.947 1.00 0.69 N ATOM 93 CA PHE A 7 0.071 -10.110 6.053 1.00 0.75 C ATOM 94 C PHE A 7 0.799 -8.899 6.638 1.00 0.68 C ATOM 95 O PHE A 7 2.020 -8.790 6.524 1.00 0.81 O ATOM 96 CB PHE A 7 -0.037 -11.194 7.128 1.00 1.02 C ATOM 97 CG PHE A 7 1.258 -11.427 7.909 1.00 1.04 C ATOM 98 CD1 PHE A 7 1.549 -10.654 8.989 1.00 2.14 C ATOM 99 CD2 PHE A 7 2.119 -12.406 7.522 1.00 1.84 C ATOM 100 CE1 PHE A 7 2.751 -10.871 9.714 1.00 2.50 C ATOM 101 CE2 PHE A 7 3.320 -12.623 8.247 1.00 2.19 C ATOM 102 CZ PHE A 7 3.611 -11.850 9.327 1.00 2.03 C ATOM 0 H PHE A 7 1.826 -10.725 5.089 1.00 0.69 H new ATOM 0 HA PHE A 7 -0.908 -9.778 5.708 1.00 0.75 H new ATOM 0 HB2 PHE A 7 -0.827 -10.920 7.827 1.00 1.02 H new ATOM 0 HB3 PHE A 7 -0.339 -12.130 6.657 1.00 1.02 H new ATOM 0 HD1 PHE A 7 0.866 -9.875 9.296 1.00 2.14 H new ATOM 0 HD2 PHE A 7 1.889 -13.019 6.663 1.00 1.84 H new ATOM 0 HE1 PHE A 7 2.982 -10.258 10.573 1.00 2.50 H new ATOM 0 HE2 PHE A 7 4.002 -13.402 7.941 1.00 2.19 H new ATOM 0 HZ PHE A 7 4.526 -12.014 9.878 1.00 2.03 H new ATOM 112 N PHE A 8 0.021 -8.019 7.250 1.00 0.70 N ATOM 113 CA PHE A 8 0.586 -6.861 7.922 1.00 0.79 C ATOM 114 C PHE A 8 -0.143 -6.579 9.237 1.00 0.73 C ATOM 115 O PHE A 8 -1.358 -6.383 9.248 1.00 0.87 O ATOM 116 CB PHE A 8 0.401 -5.666 6.984 1.00 1.09 C ATOM 117 CG PHE A 8 1.126 -5.808 5.644 1.00 1.06 C ATOM 118 CD1 PHE A 8 2.482 -5.707 5.590 1.00 2.18 C ATOM 119 CD2 PHE A 8 0.417 -6.037 4.507 1.00 2.34 C ATOM 120 CE1 PHE A 8 3.155 -5.839 4.348 1.00 3.00 C ATOM 121 CE2 PHE A 8 1.090 -6.169 3.264 1.00 3.30 C ATOM 122 CZ PHE A 8 2.445 -6.067 3.210 1.00 3.25 C ATOM 0 H PHE A 8 -0.996 -8.084 7.295 1.00 0.70 H new ATOM 0 HA PHE A 8 1.636 -7.040 8.152 1.00 0.79 H new ATOM 0 HB2 PHE A 8 -0.664 -5.526 6.796 1.00 1.09 H new ATOM 0 HB3 PHE A 8 0.757 -4.766 7.485 1.00 1.09 H new ATOM 0 HD1 PHE A 8 3.046 -5.526 6.493 1.00 2.18 H new ATOM 0 HD2 PHE A 8 -0.659 -6.119 4.549 1.00 2.34 H new ATOM 0 HE1 PHE A 8 4.231 -5.758 4.306 1.00 3.00 H new ATOM 0 HE2 PHE A 8 0.526 -6.350 2.361 1.00 3.30 H new ATOM 0 HZ PHE A 8 2.957 -6.167 2.264 1.00 3.25 H new ATOM 132 N ASP A 9 0.628 -6.569 10.315 1.00 0.73 N ATOM 133 CA ASP A 9 0.058 -6.412 11.641 1.00 0.84 C ATOM 134 C ASP A 9 0.028 -4.927 12.006 1.00 0.81 C ATOM 135 O ASP A 9 1.014 -4.216 11.814 1.00 0.77 O ATOM 136 CB ASP A 9 0.898 -7.140 12.691 1.00 1.05 C ATOM 137 CG ASP A 9 0.211 -7.343 14.043 1.00 1.36 C ATOM 138 OD1 ASP A 9 -0.459 -8.389 14.187 1.00 2.35 O ATOM 139 OD2 ASP A 9 0.370 -6.448 14.901 1.00 2.35 O ATOM 0 H ASP A 9 1.643 -6.667 10.296 1.00 0.73 H new ATOM 0 HA ASP A 9 -0.947 -6.833 11.628 1.00 0.84 H new ATOM 0 HB2 ASP A 9 1.182 -8.115 12.295 1.00 1.05 H new ATOM 0 HB3 ASP A 9 1.819 -6.580 12.849 1.00 1.05 H new ATOM 144 N ILE A 10 -1.114 -4.501 12.526 1.00 0.94 N ATOM 145 CA ILE A 10 -1.312 -3.098 12.846 1.00 0.95 C ATOM 146 C ILE A 10 -1.230 -2.907 14.361 1.00 1.09 C ATOM 147 O ILE A 10 -1.718 -3.741 15.123 1.00 1.38 O ATOM 148 CB ILE A 10 -2.618 -2.587 12.233 1.00 1.12 C ATOM 149 CG1 ILE A 10 -2.689 -2.919 10.741 1.00 1.22 C ATOM 150 CG2 ILE A 10 -2.801 -1.092 12.497 1.00 1.14 C ATOM 151 CD1 ILE A 10 -1.591 -2.190 9.964 1.00 1.43 C ATOM 0 H ILE A 10 -1.911 -5.103 12.733 1.00 0.94 H new ATOM 0 HA ILE A 10 -0.520 -2.493 12.405 1.00 0.95 H new ATOM 0 HB ILE A 10 -3.447 -3.102 12.718 1.00 1.12 H new ATOM 0 HG12 ILE A 10 -2.587 -3.995 10.599 1.00 1.22 H new ATOM 0 HG13 ILE A 10 -3.666 -2.637 10.348 1.00 1.22 H new ATOM 0 HG21 ILE A 10 -3.737 -0.756 12.050 1.00 1.14 H new ATOM 0 HG22 ILE A 10 -2.827 -0.913 13.572 1.00 1.14 H new ATOM 0 HG23 ILE A 10 -1.970 -0.540 12.057 1.00 1.14 H new ATOM 0 HD11 ILE A 10 -1.664 -2.443 8.906 1.00 1.43 H new ATOM 0 HD12 ILE A 10 -1.711 -1.114 10.088 1.00 1.43 H new ATOM 0 HD13 ILE A 10 -0.615 -2.493 10.343 1.00 1.43 H new ATOM 163 N ALA A 11 -0.608 -1.805 14.755 1.00 0.96 N ATOM 164 CA ALA A 11 -0.527 -1.453 16.162 1.00 1.07 C ATOM 165 C ALA A 11 -0.883 0.025 16.334 1.00 1.05 C ATOM 166 O ALA A 11 -0.127 0.902 15.918 1.00 1.11 O ATOM 167 CB ALA A 11 0.870 -1.782 16.692 1.00 1.10 C ATOM 0 H ALA A 11 -0.155 -1.144 14.124 1.00 0.96 H new ATOM 0 HA ALA A 11 -1.241 -2.035 16.745 1.00 1.07 H new ATOM 0 HB1 ALA A 11 0.930 -1.518 17.748 1.00 1.10 H new ATOM 0 HB2 ALA A 11 1.062 -2.848 16.573 1.00 1.10 H new ATOM 0 HB3 ALA A 11 1.614 -1.215 16.133 1.00 1.10 H new ATOM 173 N VAL A 12 -2.033 0.256 16.948 1.00 1.04 N ATOM 174 CA VAL A 12 -2.493 1.613 17.192 1.00 1.05 C ATOM 175 C VAL A 12 -2.127 2.022 18.620 1.00 1.11 C ATOM 176 O VAL A 12 -2.822 1.665 19.569 1.00 1.19 O ATOM 177 CB VAL A 12 -3.992 1.717 16.906 1.00 1.10 C ATOM 178 CG1 VAL A 12 -4.481 3.160 17.063 1.00 1.13 C ATOM 179 CG2 VAL A 12 -4.324 1.175 15.514 1.00 1.12 C ATOM 0 H VAL A 12 -2.661 -0.474 17.284 1.00 1.04 H new ATOM 0 HA VAL A 12 -1.998 2.311 16.517 1.00 1.05 H new ATOM 0 HB VAL A 12 -4.516 1.103 17.638 1.00 1.10 H new ATOM 0 HG11 VAL A 12 -5.550 3.207 16.854 1.00 1.13 H new ATOM 0 HG12 VAL A 12 -4.295 3.498 18.082 1.00 1.13 H new ATOM 0 HG13 VAL A 12 -3.946 3.803 16.364 1.00 1.13 H new ATOM 0 HG21 VAL A 12 -5.396 1.261 15.336 1.00 1.12 H new ATOM 0 HG22 VAL A 12 -3.784 1.750 14.761 1.00 1.12 H new ATOM 0 HG23 VAL A 12 -4.029 0.128 15.451 1.00 1.12 H new ATOM 189 N ASP A 13 -1.035 2.766 18.728 1.00 1.10 N ATOM 190 CA ASP A 13 -0.568 3.226 20.025 1.00 1.17 C ATOM 191 C ASP A 13 -0.720 2.097 21.046 1.00 1.22 C ATOM 192 O ASP A 13 -1.718 2.031 21.761 1.00 1.23 O ATOM 193 CB ASP A 13 -1.389 4.420 20.514 1.00 1.17 C ATOM 194 CG ASP A 13 -2.906 4.253 20.401 1.00 2.31 C ATOM 195 OD1 ASP A 13 -3.418 4.469 19.282 1.00 2.81 O ATOM 196 OD2 ASP A 13 -3.517 3.911 21.436 1.00 3.79 O ATOM 0 H ASP A 13 -0.461 3.061 17.939 1.00 1.10 H new ATOM 0 HA ASP A 13 0.475 3.524 19.922 1.00 1.17 H new ATOM 0 HB2 ASP A 13 -1.137 4.612 21.557 1.00 1.17 H new ATOM 0 HB3 ASP A 13 -1.093 5.302 19.946 1.00 1.17 H new ATOM 201 N GLY A 14 0.287 1.236 21.083 1.00 1.32 N ATOM 202 CA GLY A 14 0.358 0.211 22.110 1.00 1.45 C ATOM 203 C GLY A 14 -0.963 -0.554 22.215 1.00 1.41 C ATOM 204 O GLY A 14 -1.369 -0.951 23.306 1.00 1.50 O ATOM 0 H GLY A 14 1.060 1.228 20.418 1.00 1.32 H new ATOM 0 HA2 GLY A 14 1.167 -0.483 21.881 1.00 1.45 H new ATOM 0 HA3 GLY A 14 0.594 0.669 23.070 1.00 1.45 H new ATOM 208 N GLU A 15 -1.597 -0.737 21.066 1.00 1.29 N ATOM 209 CA GLU A 15 -2.834 -1.496 21.007 1.00 1.26 C ATOM 210 C GLU A 15 -2.968 -2.186 19.648 1.00 1.16 C ATOM 211 O GLU A 15 -3.049 -1.522 18.615 1.00 1.14 O ATOM 212 CB GLU A 15 -4.042 -0.600 21.289 1.00 1.25 C ATOM 213 CG GLU A 15 -5.218 -1.419 21.822 1.00 1.41 C ATOM 214 CD GLU A 15 -5.871 -2.235 20.704 1.00 2.18 C ATOM 215 OE1 GLU A 15 -6.068 -1.652 19.616 1.00 3.50 O ATOM 216 OE2 GLU A 15 -6.158 -3.424 20.963 1.00 3.21 O ATOM 0 H GLU A 15 -1.277 -0.373 20.169 1.00 1.29 H new ATOM 0 HA GLU A 15 -2.804 -2.263 21.781 1.00 1.26 H new ATOM 0 HB2 GLU A 15 -3.769 0.167 22.014 1.00 1.25 H new ATOM 0 HB3 GLU A 15 -4.338 -0.084 20.376 1.00 1.25 H new ATOM 0 HG2 GLU A 15 -4.872 -2.088 22.610 1.00 1.41 H new ATOM 0 HG3 GLU A 15 -5.956 -0.753 22.270 1.00 1.41 H new ATOM 223 N PRO A 16 -2.988 -3.546 19.693 1.00 1.13 N ATOM 224 CA PRO A 16 -3.137 -4.332 18.480 1.00 1.06 C ATOM 225 C PRO A 16 -4.581 -4.293 17.976 1.00 0.98 C ATOM 226 O PRO A 16 -5.457 -4.947 18.540 1.00 0.93 O ATOM 227 CB PRO A 16 -2.678 -5.730 18.859 1.00 1.11 C ATOM 228 CG PRO A 16 -2.729 -5.789 20.377 1.00 1.18 C ATOM 229 CD PRO A 16 -2.868 -4.366 20.894 1.00 1.18 C ATOM 0 HA PRO A 16 -2.545 -3.944 17.651 1.00 1.06 H new ATOM 0 HB2 PRO A 16 -3.326 -6.487 18.417 1.00 1.11 H new ATOM 0 HB3 PRO A 16 -1.669 -5.922 18.494 1.00 1.11 H new ATOM 0 HG2 PRO A 16 -3.570 -6.399 20.707 1.00 1.18 H new ATOM 0 HG3 PRO A 16 -1.825 -6.252 20.772 1.00 1.18 H new ATOM 0 HD2 PRO A 16 -3.744 -4.261 21.534 1.00 1.18 H new ATOM 0 HD3 PRO A 16 -2.002 -4.074 21.488 1.00 1.18 H new ATOM 237 N LEU A 17 -4.785 -3.521 16.918 1.00 1.03 N ATOM 238 CA LEU A 17 -6.119 -3.334 16.374 1.00 1.06 C ATOM 239 C LEU A 17 -6.551 -4.607 15.644 1.00 0.93 C ATOM 240 O LEU A 17 -7.690 -5.051 15.782 1.00 0.95 O ATOM 241 CB LEU A 17 -6.171 -2.077 15.504 1.00 1.24 C ATOM 242 CG LEU A 17 -7.489 -1.824 14.768 1.00 0.72 C ATOM 243 CD1 LEU A 17 -8.634 -1.600 15.757 1.00 1.01 C ATOM 244 CD2 LEU A 17 -7.351 -0.665 13.779 1.00 1.72 C ATOM 0 H LEU A 17 -4.048 -3.018 16.423 1.00 1.03 H new ATOM 0 HA LEU A 17 -6.838 -3.168 17.176 1.00 1.06 H new ATOM 0 HB2 LEU A 17 -5.959 -1.214 16.135 1.00 1.24 H new ATOM 0 HB3 LEU A 17 -5.371 -2.137 14.766 1.00 1.24 H new ATOM 0 HG LEU A 17 -7.733 -2.714 14.188 1.00 0.72 H new ATOM 0 HD11 LEU A 17 -9.559 -1.422 15.209 1.00 1.01 H new ATOM 0 HD12 LEU A 17 -8.749 -2.482 16.386 1.00 1.01 H new ATOM 0 HD13 LEU A 17 -8.411 -0.735 16.382 1.00 1.01 H new ATOM 0 HD21 LEU A 17 -8.301 -0.506 13.270 1.00 1.72 H new ATOM 0 HD22 LEU A 17 -7.072 0.241 14.317 1.00 1.72 H new ATOM 0 HD23 LEU A 17 -6.581 -0.903 13.045 1.00 1.72 H new ATOM 256 N GLY A 18 -5.618 -5.158 14.881 1.00 0.86 N ATOM 257 CA GLY A 18 -5.885 -6.377 14.136 1.00 0.84 C ATOM 258 C GLY A 18 -4.788 -6.637 13.101 1.00 0.87 C ATOM 259 O GLY A 18 -3.749 -5.980 13.113 1.00 1.06 O ATOM 0 H GLY A 18 -4.677 -4.783 14.763 1.00 0.86 H new ATOM 0 HA2 GLY A 18 -5.950 -7.221 14.823 1.00 0.84 H new ATOM 0 HA3 GLY A 18 -6.850 -6.298 13.636 1.00 0.84 H new ATOM 263 N ARG A 19 -5.058 -7.599 12.230 1.00 0.89 N ATOM 264 CA ARG A 19 -4.090 -7.985 11.218 1.00 0.97 C ATOM 265 C ARG A 19 -4.751 -8.024 9.839 1.00 0.83 C ATOM 266 O ARG A 19 -5.852 -8.554 9.689 1.00 0.84 O ATOM 267 CB ARG A 19 -3.487 -9.357 11.526 1.00 1.24 C ATOM 268 CG ARG A 19 -2.287 -9.645 10.621 1.00 1.26 C ATOM 269 CD ARG A 19 -1.476 -10.830 11.147 1.00 1.92 C ATOM 270 NE ARG A 19 -0.771 -10.449 12.391 1.00 2.79 N ATOM 271 CZ ARG A 19 0.010 -11.279 13.096 1.00 3.65 C ATOM 272 NH1 ARG A 19 0.262 -12.512 12.639 1.00 4.17 N ATOM 273 NH2 ARG A 19 0.537 -10.876 14.260 1.00 4.73 N ATOM 0 H ARG A 19 -5.933 -8.122 12.205 1.00 0.89 H new ATOM 0 HA ARG A 19 -3.293 -7.242 11.222 1.00 0.97 H new ATOM 0 HB2 ARG A 19 -3.177 -9.396 12.570 1.00 1.24 H new ATOM 0 HB3 ARG A 19 -4.244 -10.130 11.389 1.00 1.24 H new ATOM 0 HG2 ARG A 19 -2.633 -9.857 9.609 1.00 1.26 H new ATOM 0 HG3 ARG A 19 -1.651 -8.762 10.562 1.00 1.26 H new ATOM 0 HD2 ARG A 19 -2.136 -11.677 11.338 1.00 1.92 H new ATOM 0 HD3 ARG A 19 -0.755 -11.151 10.395 1.00 1.92 H new ATOM 0 HE ARG A 19 -0.887 -9.495 12.733 1.00 2.79 H new ATOM 0 HH11 ARG A 19 -0.141 -12.820 11.754 1.00 4.17 H new ATOM 0 HH12 ARG A 19 0.857 -13.143 13.176 1.00 4.17 H new ATOM 0 HH21 ARG A 19 0.344 -9.937 14.610 1.00 4.73 H new ATOM 0 HH22 ARG A 19 1.131 -11.508 14.797 1.00 4.73 H new ATOM 287 N VAL A 20 -4.053 -7.457 8.866 1.00 0.89 N ATOM 288 CA VAL A 20 -4.588 -7.361 7.519 1.00 0.89 C ATOM 289 C VAL A 20 -3.886 -8.383 6.622 1.00 1.05 C ATOM 290 O VAL A 20 -2.708 -8.677 6.812 1.00 2.15 O ATOM 291 CB VAL A 20 -4.457 -5.925 7.006 1.00 0.87 C ATOM 292 CG1 VAL A 20 -5.356 -5.694 5.789 1.00 0.88 C ATOM 293 CG2 VAL A 20 -4.763 -4.917 8.114 1.00 1.10 C ATOM 0 H VAL A 20 -3.121 -7.059 8.984 1.00 0.89 H new ATOM 0 HA VAL A 20 -5.652 -7.599 7.512 1.00 0.89 H new ATOM 0 HB VAL A 20 -3.424 -5.774 6.693 1.00 0.87 H new ATOM 0 HG11 VAL A 20 -5.244 -4.666 5.444 1.00 0.88 H new ATOM 0 HG12 VAL A 20 -5.070 -6.378 4.990 1.00 0.88 H new ATOM 0 HG13 VAL A 20 -6.395 -5.873 6.065 1.00 0.88 H new ATOM 0 HG21 VAL A 20 -4.663 -3.905 7.723 1.00 1.10 H new ATOM 0 HG22 VAL A 20 -5.781 -5.068 8.472 1.00 1.10 H new ATOM 0 HG23 VAL A 20 -4.064 -5.059 8.938 1.00 1.10 H new ATOM 303 N SER A 21 -4.642 -8.897 5.662 1.00 0.69 N ATOM 304 CA SER A 21 -4.106 -9.872 4.728 1.00 0.63 C ATOM 305 C SER A 21 -4.318 -9.391 3.291 1.00 0.56 C ATOM 306 O SER A 21 -5.264 -8.658 3.011 1.00 0.71 O ATOM 307 CB SER A 21 -4.752 -11.243 4.930 1.00 0.75 C ATOM 308 OG SER A 21 -6.160 -11.146 5.127 1.00 1.81 O ATOM 0 H SER A 21 -5.622 -8.656 5.511 1.00 0.69 H new ATOM 0 HA SER A 21 -3.037 -9.974 4.917 1.00 0.63 H new ATOM 0 HB2 SER A 21 -4.550 -11.870 4.062 1.00 0.75 H new ATOM 0 HB3 SER A 21 -4.298 -11.734 5.791 1.00 0.75 H new ATOM 0 HG SER A 21 -6.495 -10.331 4.698 1.00 1.81 H new ATOM 314 N PHE A 22 -3.422 -9.826 2.417 1.00 0.52 N ATOM 315 CA PHE A 22 -3.500 -9.450 1.015 1.00 0.49 C ATOM 316 C PHE A 22 -3.064 -10.606 0.113 1.00 0.50 C ATOM 317 O PHE A 22 -2.436 -11.558 0.577 1.00 0.85 O ATOM 318 CB PHE A 22 -2.545 -8.272 0.814 1.00 0.57 C ATOM 319 CG PHE A 22 -2.985 -6.987 1.518 1.00 0.55 C ATOM 320 CD1 PHE A 22 -2.634 -6.767 2.814 1.00 1.49 C ATOM 321 CD2 PHE A 22 -3.726 -6.063 0.850 1.00 1.72 C ATOM 322 CE1 PHE A 22 -3.041 -5.575 3.468 1.00 1.41 C ATOM 323 CE2 PHE A 22 -4.133 -4.872 1.503 1.00 2.00 C ATOM 324 CZ PHE A 22 -3.783 -4.652 2.800 1.00 1.05 C ATOM 0 H PHE A 22 -2.638 -10.435 2.652 1.00 0.52 H new ATOM 0 HA PHE A 22 -4.526 -9.190 0.756 1.00 0.49 H new ATOM 0 HB2 PHE A 22 -1.556 -8.553 1.177 1.00 0.57 H new ATOM 0 HB3 PHE A 22 -2.448 -8.074 -0.254 1.00 0.57 H new ATOM 0 HD1 PHE A 22 -2.045 -7.500 3.345 1.00 1.49 H new ATOM 0 HD2 PHE A 22 -4.005 -6.236 -0.179 1.00 1.72 H new ATOM 0 HE1 PHE A 22 -2.761 -5.401 4.497 1.00 1.41 H new ATOM 0 HE2 PHE A 22 -4.721 -4.139 0.971 1.00 2.00 H new ATOM 0 HZ PHE A 22 -4.094 -3.745 3.298 1.00 1.05 H new ATOM 334 N GLU A 23 -3.411 -10.485 -1.160 1.00 0.60 N ATOM 335 CA GLU A 23 -2.983 -11.459 -2.149 1.00 0.70 C ATOM 336 C GLU A 23 -2.374 -10.753 -3.361 1.00 0.79 C ATOM 337 O GLU A 23 -2.874 -9.717 -3.797 1.00 1.60 O ATOM 338 CB GLU A 23 -4.145 -12.363 -2.567 1.00 0.78 C ATOM 339 CG GLU A 23 -5.308 -11.538 -3.122 1.00 1.55 C ATOM 340 CD GLU A 23 -6.487 -12.437 -3.499 1.00 1.58 C ATOM 341 OE1 GLU A 23 -6.220 -13.610 -3.841 1.00 2.06 O ATOM 342 OE2 GLU A 23 -7.628 -11.932 -3.437 1.00 2.17 O ATOM 0 H GLU A 23 -3.984 -9.726 -1.529 1.00 0.60 H new ATOM 0 HA GLU A 23 -2.217 -12.091 -1.700 1.00 0.70 H new ATOM 0 HB2 GLU A 23 -3.805 -13.073 -3.321 1.00 0.78 H new ATOM 0 HB3 GLU A 23 -4.484 -12.946 -1.710 1.00 0.78 H new ATOM 0 HG2 GLU A 23 -5.627 -10.807 -2.379 1.00 1.55 H new ATOM 0 HG3 GLU A 23 -4.977 -10.980 -3.998 1.00 1.55 H new ATOM 349 N LEU A 24 -1.302 -11.342 -3.871 1.00 0.81 N ATOM 350 CA LEU A 24 -0.587 -10.753 -4.992 1.00 0.79 C ATOM 351 C LEU A 24 -0.823 -11.600 -6.243 1.00 0.79 C ATOM 352 O LEU A 24 -0.630 -12.814 -6.221 1.00 1.05 O ATOM 353 CB LEU A 24 0.891 -10.566 -4.645 1.00 0.95 C ATOM 354 CG LEU A 24 1.258 -9.251 -3.954 1.00 1.19 C ATOM 355 CD1 LEU A 24 0.415 -9.041 -2.695 1.00 1.79 C ATOM 356 CD2 LEU A 24 2.757 -9.187 -3.658 1.00 2.54 C ATOM 0 H LEU A 24 -0.911 -12.220 -3.529 1.00 0.81 H new ATOM 0 HA LEU A 24 -0.969 -9.755 -5.206 1.00 0.79 H new ATOM 0 HB2 LEU A 24 1.199 -11.390 -4.001 1.00 0.95 H new ATOM 0 HB3 LEU A 24 1.472 -10.645 -5.564 1.00 0.95 H new ATOM 0 HG LEU A 24 1.030 -8.431 -4.635 1.00 1.19 H new ATOM 0 HD11 LEU A 24 0.695 -8.100 -2.222 1.00 1.79 H new ATOM 0 HD12 LEU A 24 -0.641 -9.012 -2.965 1.00 1.79 H new ATOM 0 HD13 LEU A 24 0.589 -9.862 -1.999 1.00 1.79 H new ATOM 0 HD21 LEU A 24 2.991 -8.242 -3.167 1.00 2.54 H new ATOM 0 HD22 LEU A 24 3.034 -10.014 -3.005 1.00 2.54 H new ATOM 0 HD23 LEU A 24 3.316 -9.259 -4.591 1.00 2.54 H new ATOM 368 N PHE A 25 -1.237 -10.925 -7.307 1.00 0.68 N ATOM 369 CA PHE A 25 -1.489 -11.599 -8.569 1.00 0.66 C ATOM 370 C PHE A 25 -0.200 -11.739 -9.382 1.00 0.69 C ATOM 371 O PHE A 25 -0.006 -11.034 -10.370 1.00 0.85 O ATOM 372 CB PHE A 25 -2.478 -10.731 -9.349 1.00 0.69 C ATOM 373 CG PHE A 25 -3.869 -10.651 -8.717 1.00 0.65 C ATOM 374 CD1 PHE A 25 -4.499 -11.787 -8.314 1.00 1.96 C ATOM 375 CD2 PHE A 25 -4.475 -9.444 -8.558 1.00 1.90 C ATOM 376 CE1 PHE A 25 -5.790 -11.712 -7.727 1.00 1.98 C ATOM 377 CE2 PHE A 25 -5.766 -9.369 -7.971 1.00 1.99 C ATOM 378 CZ PHE A 25 -6.395 -10.505 -7.568 1.00 0.88 C ATOM 0 H PHE A 25 -1.404 -9.919 -7.320 1.00 0.68 H new ATOM 0 HA PHE A 25 -1.882 -12.599 -8.386 1.00 0.66 H new ATOM 0 HB2 PHE A 25 -2.071 -9.723 -9.436 1.00 0.69 H new ATOM 0 HB3 PHE A 25 -2.572 -11.125 -10.361 1.00 0.69 H new ATOM 0 HD1 PHE A 25 -4.018 -12.746 -8.440 1.00 1.96 H new ATOM 0 HD2 PHE A 25 -3.974 -8.542 -8.878 1.00 1.90 H new ATOM 0 HE1 PHE A 25 -6.291 -12.614 -7.407 1.00 1.98 H new ATOM 0 HE2 PHE A 25 -6.248 -8.411 -7.845 1.00 1.99 H new ATOM 0 HZ PHE A 25 -7.377 -10.448 -7.121 1.00 0.88 H new ATOM 388 N ALA A 26 0.647 -12.655 -8.935 1.00 0.61 N ATOM 389 CA ALA A 26 1.926 -12.875 -9.590 1.00 0.68 C ATOM 390 C ALA A 26 1.705 -13.675 -10.874 1.00 0.75 C ATOM 391 O ALA A 26 2.603 -13.775 -11.709 1.00 0.97 O ATOM 392 CB ALA A 26 2.881 -13.576 -8.622 1.00 0.72 C ATOM 0 H ALA A 26 0.473 -13.253 -8.127 1.00 0.61 H new ATOM 0 HA ALA A 26 2.384 -11.926 -9.868 1.00 0.68 H new ATOM 0 HB1 ALA A 26 3.840 -13.741 -9.113 1.00 0.72 H new ATOM 0 HB2 ALA A 26 3.027 -12.953 -7.740 1.00 0.72 H new ATOM 0 HB3 ALA A 26 2.457 -14.534 -8.323 1.00 0.72 H new ATOM 398 N ASP A 27 0.506 -14.224 -10.993 1.00 0.76 N ATOM 399 CA ASP A 27 0.139 -14.969 -12.186 1.00 0.86 C ATOM 400 C ASP A 27 -0.300 -13.989 -13.277 1.00 1.06 C ATOM 401 O ASP A 27 -0.674 -14.403 -14.373 1.00 1.77 O ATOM 402 CB ASP A 27 -1.029 -15.917 -11.906 1.00 1.10 C ATOM 403 CG ASP A 27 -1.271 -16.979 -12.979 1.00 1.57 C ATOM 404 OD1 ASP A 27 -0.356 -17.809 -13.172 1.00 2.50 O ATOM 405 OD2 ASP A 27 -2.365 -16.938 -13.583 1.00 2.06 O ATOM 0 H ASP A 27 -0.224 -14.168 -10.283 1.00 0.76 H new ATOM 0 HA ASP A 27 1.006 -15.549 -12.502 1.00 0.86 H new ATOM 0 HB2 ASP A 27 -0.851 -16.418 -10.954 1.00 1.10 H new ATOM 0 HB3 ASP A 27 -1.937 -15.326 -11.790 1.00 1.10 H new ATOM 410 N LYS A 28 -0.238 -12.709 -12.939 1.00 0.89 N ATOM 411 CA LYS A 28 -0.506 -11.664 -13.912 1.00 0.99 C ATOM 412 C LYS A 28 0.724 -10.762 -14.035 1.00 0.91 C ATOM 413 O LYS A 28 1.223 -10.535 -15.136 1.00 1.15 O ATOM 414 CB LYS A 28 -1.787 -10.911 -13.552 1.00 1.18 C ATOM 415 CG LYS A 28 -3.017 -11.613 -14.132 1.00 1.24 C ATOM 416 CD LYS A 28 -3.554 -12.668 -13.162 1.00 2.26 C ATOM 417 CE LYS A 28 -4.356 -13.738 -13.906 1.00 2.76 C ATOM 418 NZ LYS A 28 -3.449 -14.745 -14.501 1.00 4.00 N ATOM 0 H LYS A 28 -0.006 -12.372 -12.005 1.00 0.89 H new ATOM 0 HA LYS A 28 -0.685 -12.097 -14.896 1.00 0.99 H new ATOM 0 HB2 LYS A 28 -1.880 -10.842 -12.468 1.00 1.18 H new ATOM 0 HB3 LYS A 28 -1.733 -9.891 -13.933 1.00 1.18 H new ATOM 0 HG2 LYS A 28 -3.794 -10.878 -14.343 1.00 1.24 H new ATOM 0 HG3 LYS A 28 -2.758 -12.084 -15.080 1.00 1.24 H new ATOM 0 HD2 LYS A 28 -2.725 -13.134 -12.630 1.00 2.26 H new ATOM 0 HD3 LYS A 28 -4.185 -12.191 -12.413 1.00 2.26 H new ATOM 0 HE2 LYS A 28 -5.049 -14.225 -13.220 1.00 2.76 H new ATOM 0 HE3 LYS A 28 -4.956 -13.273 -14.688 1.00 2.76 H new ATOM 0 HZ1 LYS A 28 -3.746 -14.946 -15.477 1.00 4.00 H new ATOM 0 HZ2 LYS A 28 -2.476 -14.377 -14.504 1.00 4.00 H new ATOM 0 HZ3 LYS A 28 -3.487 -15.620 -13.941 1.00 4.00 H new ATOM 432 N VAL A 29 1.176 -10.272 -12.891 1.00 0.75 N ATOM 433 CA VAL A 29 2.292 -9.342 -12.864 1.00 0.78 C ATOM 434 C VAL A 29 3.261 -9.748 -11.751 1.00 0.73 C ATOM 435 O VAL A 29 3.209 -9.206 -10.649 1.00 0.75 O ATOM 436 CB VAL A 29 1.776 -7.910 -12.713 1.00 0.90 C ATOM 437 CG1 VAL A 29 1.526 -7.271 -14.080 1.00 1.16 C ATOM 438 CG2 VAL A 29 0.514 -7.869 -11.849 1.00 1.04 C ATOM 0 H VAL A 29 0.790 -10.501 -11.975 1.00 0.75 H new ATOM 0 HA VAL A 29 2.842 -9.378 -13.804 1.00 0.78 H new ATOM 0 HB VAL A 29 2.546 -7.328 -12.207 1.00 0.90 H new ATOM 0 HG11 VAL A 29 1.160 -6.253 -13.944 1.00 1.16 H new ATOM 0 HG12 VAL A 29 2.457 -7.249 -14.647 1.00 1.16 H new ATOM 0 HG13 VAL A 29 0.783 -7.854 -14.624 1.00 1.16 H new ATOM 0 HG21 VAL A 29 0.169 -6.839 -11.758 1.00 1.04 H new ATOM 0 HG22 VAL A 29 -0.265 -8.473 -12.314 1.00 1.04 H new ATOM 0 HG23 VAL A 29 0.738 -8.265 -10.859 1.00 1.04 H new ATOM 448 N PRO A 30 4.148 -10.723 -12.089 1.00 0.83 N ATOM 449 CA PRO A 30 5.152 -11.181 -11.144 1.00 0.94 C ATOM 450 C PRO A 30 6.280 -10.157 -11.005 1.00 1.08 C ATOM 451 O PRO A 30 6.840 -9.988 -9.922 1.00 2.14 O ATOM 452 CB PRO A 30 5.627 -12.517 -11.692 1.00 1.14 C ATOM 453 CG PRO A 30 5.213 -12.538 -13.155 1.00 1.20 C ATOM 454 CD PRO A 30 4.215 -11.413 -13.373 1.00 1.01 C ATOM 0 HA PRO A 30 4.758 -11.297 -10.134 1.00 0.94 H new ATOM 0 HB2 PRO A 30 6.707 -12.619 -11.590 1.00 1.14 H new ATOM 0 HB3 PRO A 30 5.176 -13.346 -11.146 1.00 1.14 H new ATOM 0 HG2 PRO A 30 6.082 -12.407 -13.800 1.00 1.20 H new ATOM 0 HG3 PRO A 30 4.767 -13.499 -13.412 1.00 1.20 H new ATOM 0 HD2 PRO A 30 4.542 -10.742 -14.167 1.00 1.01 H new ATOM 0 HD3 PRO A 30 3.239 -11.801 -13.666 1.00 1.01 H new ATOM 462 N LYS A 31 6.580 -9.500 -12.115 1.00 1.24 N ATOM 463 CA LYS A 31 7.629 -8.494 -12.129 1.00 1.43 C ATOM 464 C LYS A 31 7.327 -7.433 -11.068 1.00 1.40 C ATOM 465 O LYS A 31 8.243 -6.864 -10.476 1.00 1.77 O ATOM 466 CB LYS A 31 7.803 -7.922 -13.538 1.00 1.59 C ATOM 467 CG LYS A 31 6.455 -7.511 -14.134 1.00 3.40 C ATOM 468 CD LYS A 31 6.144 -8.321 -15.394 1.00 4.58 C ATOM 469 CE LYS A 31 6.997 -7.851 -16.572 1.00 4.89 C ATOM 470 NZ LYS A 31 6.460 -8.382 -17.846 1.00 6.38 N ATOM 0 H LYS A 31 6.115 -9.644 -13.011 1.00 1.24 H new ATOM 0 HA LYS A 31 8.589 -8.941 -11.870 1.00 1.43 H new ATOM 0 HB2 LYS A 31 8.468 -7.059 -13.504 1.00 1.59 H new ATOM 0 HB3 LYS A 31 8.277 -8.665 -14.180 1.00 1.59 H new ATOM 0 HG2 LYS A 31 5.666 -7.661 -13.397 1.00 3.40 H new ATOM 0 HG3 LYS A 31 6.468 -6.448 -14.375 1.00 3.40 H new ATOM 0 HD2 LYS A 31 6.329 -9.379 -15.206 1.00 4.58 H new ATOM 0 HD3 LYS A 31 5.087 -8.222 -15.643 1.00 4.58 H new ATOM 0 HE2 LYS A 31 7.015 -6.762 -16.604 1.00 4.89 H new ATOM 0 HE3 LYS A 31 8.027 -8.183 -16.438 1.00 4.89 H new ATOM 0 HZ1 LYS A 31 7.223 -8.432 -18.551 1.00 6.38 H new ATOM 0 HZ2 LYS A 31 6.071 -9.334 -17.689 1.00 6.38 H new ATOM 0 HZ3 LYS A 31 5.708 -7.754 -18.194 1.00 6.38 H new ATOM 484 N THR A 32 6.040 -7.202 -10.859 1.00 1.09 N ATOM 485 CA THR A 32 5.606 -6.197 -9.902 1.00 1.05 C ATOM 486 C THR A 32 5.471 -6.812 -8.508 1.00 0.96 C ATOM 487 O THR A 32 5.921 -6.229 -7.523 1.00 1.12 O ATOM 488 CB THR A 32 4.307 -5.579 -10.422 1.00 1.00 C ATOM 489 OG1 THR A 32 4.430 -5.654 -11.840 1.00 1.32 O ATOM 490 CG2 THR A 32 4.217 -4.078 -10.135 1.00 1.19 C ATOM 0 H THR A 32 5.283 -7.693 -11.335 1.00 1.09 H new ATOM 0 HA THR A 32 6.344 -5.401 -9.802 1.00 1.05 H new ATOM 0 HB THR A 32 3.456 -6.087 -9.968 1.00 1.00 H new ATOM 0 HG1 THR A 32 3.629 -5.276 -12.258 1.00 1.32 H new ATOM 0 HG21 THR A 32 3.276 -3.689 -10.525 1.00 1.19 H new ATOM 0 HG22 THR A 32 4.261 -3.910 -9.059 1.00 1.19 H new ATOM 0 HG23 THR A 32 5.049 -3.565 -10.617 1.00 1.19 H new ATOM 498 N ALA A 33 4.850 -7.981 -8.469 1.00 0.81 N ATOM 499 CA ALA A 33 4.595 -8.652 -7.206 1.00 0.76 C ATOM 500 C ALA A 33 5.915 -8.830 -6.452 1.00 0.81 C ATOM 501 O ALA A 33 5.972 -8.642 -5.238 1.00 0.92 O ATOM 502 CB ALA A 33 3.890 -9.984 -7.467 1.00 0.73 C ATOM 0 H ALA A 33 4.516 -8.481 -9.293 1.00 0.81 H new ATOM 0 HA ALA A 33 3.935 -8.051 -6.580 1.00 0.76 H new ATOM 0 HB1 ALA A 33 3.699 -10.487 -6.519 1.00 0.73 H new ATOM 0 HB2 ALA A 33 2.944 -9.801 -7.978 1.00 0.73 H new ATOM 0 HB3 ALA A 33 4.523 -10.615 -8.091 1.00 0.73 H new ATOM 508 N GLU A 34 6.945 -9.188 -7.205 1.00 0.83 N ATOM 509 CA GLU A 34 8.242 -9.470 -6.614 1.00 0.93 C ATOM 510 C GLU A 34 8.731 -8.262 -5.809 1.00 1.00 C ATOM 511 O GLU A 34 9.342 -8.422 -4.753 1.00 1.15 O ATOM 512 CB GLU A 34 9.260 -9.863 -7.686 1.00 1.05 C ATOM 513 CG GLU A 34 10.537 -10.419 -7.052 1.00 1.20 C ATOM 514 CD GLU A 34 10.652 -11.927 -7.284 1.00 1.87 C ATOM 515 OE1 GLU A 34 9.913 -12.665 -6.598 1.00 2.49 O ATOM 516 OE2 GLU A 34 11.477 -12.307 -8.144 1.00 3.10 O ATOM 0 H GLU A 34 6.907 -9.289 -8.219 1.00 0.83 H new ATOM 0 HA GLU A 34 8.135 -10.316 -5.935 1.00 0.93 H new ATOM 0 HB2 GLU A 34 8.824 -10.610 -8.350 1.00 1.05 H new ATOM 0 HB3 GLU A 34 9.502 -8.994 -8.298 1.00 1.05 H new ATOM 0 HG2 GLU A 34 11.406 -9.915 -7.474 1.00 1.20 H new ATOM 0 HG3 GLU A 34 10.537 -10.211 -5.982 1.00 1.20 H new ATOM 523 N ASN A 35 8.444 -7.083 -6.341 1.00 1.00 N ATOM 524 CA ASN A 35 8.916 -5.852 -5.729 1.00 1.19 C ATOM 525 C ASN A 35 7.902 -5.388 -4.681 1.00 1.54 C ATOM 526 O ASN A 35 7.560 -4.208 -4.624 1.00 3.00 O ATOM 527 CB ASN A 35 9.064 -4.741 -6.769 1.00 1.56 C ATOM 528 CG ASN A 35 10.257 -5.007 -7.690 1.00 2.92 C ATOM 529 OD1 ASN A 35 11.347 -4.493 -7.500 1.00 3.59 O ATOM 530 ND2 ASN A 35 9.991 -5.836 -8.695 1.00 4.11 N ATOM 0 H ASN A 35 7.891 -6.954 -7.188 1.00 1.00 H new ATOM 0 HA ASN A 35 9.887 -6.051 -5.275 1.00 1.19 H new ATOM 0 HB2 ASN A 35 8.152 -4.669 -7.361 1.00 1.56 H new ATOM 0 HB3 ASN A 35 9.195 -3.783 -6.266 1.00 1.56 H new ATOM 0 HD21 ASN A 35 10.722 -6.076 -9.365 1.00 4.11 H new ATOM 0 HD22 ASN A 35 9.056 -6.231 -8.796 1.00 4.11 H new ATOM 537 N PHE A 36 7.450 -6.340 -3.878 1.00 0.96 N ATOM 538 CA PHE A 36 6.513 -6.035 -2.809 1.00 0.99 C ATOM 539 C PHE A 36 6.534 -7.124 -1.735 1.00 0.81 C ATOM 540 O PHE A 36 6.660 -6.827 -0.548 1.00 0.94 O ATOM 541 CB PHE A 36 5.120 -5.983 -3.439 1.00 1.16 C ATOM 542 CG PHE A 36 4.650 -4.571 -3.794 1.00 2.56 C ATOM 543 CD1 PHE A 36 4.062 -3.791 -2.847 1.00 3.04 C ATOM 544 CD2 PHE A 36 4.821 -4.094 -5.056 1.00 4.28 C ATOM 545 CE1 PHE A 36 3.625 -2.481 -3.176 1.00 4.46 C ATOM 546 CE2 PHE A 36 4.384 -2.784 -5.385 1.00 5.74 C ATOM 547 CZ PHE A 36 3.796 -2.004 -4.438 1.00 5.60 C ATOM 0 H PHE A 36 7.715 -7.323 -3.946 1.00 0.96 H new ATOM 0 HA PHE A 36 6.782 -5.091 -2.336 1.00 0.99 H new ATOM 0 HB2 PHE A 36 5.118 -6.593 -4.342 1.00 1.16 H new ATOM 0 HB3 PHE A 36 4.404 -6.431 -2.750 1.00 1.16 H new ATOM 0 HD1 PHE A 36 3.928 -4.169 -1.844 1.00 3.04 H new ATOM 0 HD2 PHE A 36 5.289 -4.712 -5.808 1.00 4.28 H new ATOM 0 HE1 PHE A 36 3.157 -1.863 -2.424 1.00 4.46 H new ATOM 0 HE2 PHE A 36 4.518 -2.406 -6.388 1.00 5.74 H new ATOM 0 HZ PHE A 36 3.465 -1.007 -4.688 1.00 5.60 H new ATOM 557 N ARG A 37 6.408 -8.362 -2.190 1.00 0.66 N ATOM 558 CA ARG A 37 6.510 -9.502 -1.295 1.00 0.75 C ATOM 559 C ARG A 37 7.908 -9.570 -0.678 1.00 0.72 C ATOM 560 O ARG A 37 8.095 -10.169 0.380 1.00 0.81 O ATOM 561 CB ARG A 37 6.222 -10.811 -2.034 1.00 0.92 C ATOM 562 CG ARG A 37 7.159 -10.980 -3.232 1.00 2.28 C ATOM 563 CD ARG A 37 7.434 -12.460 -3.508 1.00 2.44 C ATOM 564 NE ARG A 37 7.814 -12.648 -4.925 1.00 3.69 N ATOM 565 CZ ARG A 37 6.936 -12.820 -5.923 1.00 4.54 C ATOM 566 NH1 ARG A 37 5.623 -12.676 -5.692 1.00 4.74 N ATOM 567 NH2 ARG A 37 7.369 -13.135 -7.151 1.00 5.78 N ATOM 0 H ARG A 37 6.236 -8.601 -3.167 1.00 0.66 H new ATOM 0 HA ARG A 37 5.768 -9.372 -0.508 1.00 0.75 H new ATOM 0 HB2 ARG A 37 6.342 -11.652 -1.352 1.00 0.92 H new ATOM 0 HB3 ARG A 37 5.186 -10.821 -2.373 1.00 0.92 H new ATOM 0 HG2 ARG A 37 6.715 -10.518 -4.114 1.00 2.28 H new ATOM 0 HG3 ARG A 37 8.098 -10.461 -3.040 1.00 2.28 H new ATOM 0 HD2 ARG A 37 8.233 -12.817 -2.858 1.00 2.44 H new ATOM 0 HD3 ARG A 37 6.548 -13.052 -3.279 1.00 2.44 H new ATOM 0 HE ARG A 37 8.807 -12.647 -5.157 1.00 3.69 H new ATOM 0 HH11 ARG A 37 5.293 -12.436 -4.757 1.00 4.74 H new ATOM 0 HH12 ARG A 37 4.954 -12.807 -6.451 1.00 4.74 H new ATOM 0 HH21 ARG A 37 8.368 -13.244 -7.327 1.00 5.78 H new ATOM 0 HH22 ARG A 37 6.700 -13.266 -7.910 1.00 5.78 H new ATOM 581 N ALA A 38 8.854 -8.946 -1.364 1.00 0.70 N ATOM 582 CA ALA A 38 10.205 -8.829 -0.842 1.00 0.78 C ATOM 583 C ALA A 38 10.225 -7.787 0.278 1.00 0.87 C ATOM 584 O ALA A 38 10.913 -7.965 1.283 1.00 1.00 O ATOM 585 CB ALA A 38 11.164 -8.478 -1.981 1.00 0.79 C ATOM 0 H ALA A 38 8.712 -8.516 -2.278 1.00 0.70 H new ATOM 0 HA ALA A 38 10.536 -9.777 -0.418 1.00 0.78 H new ATOM 0 HB1 ALA A 38 12.177 -8.390 -1.589 1.00 0.79 H new ATOM 0 HB2 ALA A 38 11.134 -9.263 -2.737 1.00 0.79 H new ATOM 0 HB3 ALA A 38 10.865 -7.531 -2.429 1.00 0.79 H new ATOM 591 N LEU A 39 9.463 -6.724 0.069 1.00 0.86 N ATOM 592 CA LEU A 39 9.341 -5.681 1.074 1.00 0.98 C ATOM 593 C LEU A 39 8.571 -6.227 2.277 1.00 1.10 C ATOM 594 O LEU A 39 8.870 -5.879 3.419 1.00 1.29 O ATOM 595 CB LEU A 39 8.719 -4.422 0.466 1.00 1.03 C ATOM 596 CG LEU A 39 9.624 -3.611 -0.465 1.00 0.98 C ATOM 597 CD1 LEU A 39 8.806 -2.923 -1.560 1.00 1.41 C ATOM 598 CD2 LEU A 39 10.472 -2.614 0.327 1.00 1.51 C ATOM 0 H LEU A 39 8.924 -6.562 -0.781 1.00 0.86 H new ATOM 0 HA LEU A 39 10.325 -5.381 1.434 1.00 0.98 H new ATOM 0 HB2 LEU A 39 7.827 -4.713 -0.089 1.00 1.03 H new ATOM 0 HB3 LEU A 39 8.392 -3.773 1.279 1.00 1.03 H new ATOM 0 HG LEU A 39 10.311 -4.298 -0.958 1.00 0.98 H new ATOM 0 HD11 LEU A 39 9.472 -2.353 -2.208 1.00 1.41 H new ATOM 0 HD12 LEU A 39 8.282 -3.675 -2.150 1.00 1.41 H new ATOM 0 HD13 LEU A 39 8.081 -2.250 -1.103 1.00 1.41 H new ATOM 0 HD21 LEU A 39 11.106 -2.051 -0.358 1.00 1.51 H new ATOM 0 HD22 LEU A 39 9.819 -1.927 0.865 1.00 1.51 H new ATOM 0 HD23 LEU A 39 11.097 -3.153 1.039 1.00 1.51 H new ATOM 610 N SER A 40 7.594 -7.072 1.982 1.00 1.13 N ATOM 611 CA SER A 40 6.746 -7.629 3.022 1.00 1.33 C ATOM 612 C SER A 40 7.557 -8.578 3.907 1.00 1.41 C ATOM 613 O SER A 40 7.476 -8.510 5.132 1.00 1.66 O ATOM 614 CB SER A 40 5.545 -8.360 2.419 1.00 1.46 C ATOM 615 OG SER A 40 4.879 -7.574 1.435 1.00 2.84 O ATOM 0 H SER A 40 7.371 -7.385 1.037 1.00 1.13 H new ATOM 0 HA SER A 40 6.369 -6.808 3.632 1.00 1.33 H new ATOM 0 HB2 SER A 40 5.878 -9.296 1.970 1.00 1.46 H new ATOM 0 HB3 SER A 40 4.843 -8.619 3.212 1.00 1.46 H new ATOM 0 HG SER A 40 5.469 -7.447 0.663 1.00 2.84 H new ATOM 621 N THR A 41 8.320 -9.440 3.251 1.00 1.36 N ATOM 622 CA THR A 41 9.133 -10.412 3.963 1.00 1.57 C ATOM 623 C THR A 41 10.397 -9.749 4.512 1.00 1.79 C ATOM 624 O THR A 41 11.042 -10.285 5.411 1.00 2.51 O ATOM 625 CB THR A 41 9.419 -11.575 3.011 1.00 1.66 C ATOM 626 OG1 THR A 41 9.740 -12.661 3.877 1.00 2.16 O ATOM 627 CG2 THR A 41 10.696 -11.361 2.194 1.00 1.88 C ATOM 0 H THR A 41 8.393 -9.486 2.235 1.00 1.36 H new ATOM 0 HA THR A 41 8.608 -10.807 4.833 1.00 1.57 H new ATOM 0 HB THR A 41 8.573 -11.709 2.336 1.00 1.66 H new ATOM 0 HG1 THR A 41 9.754 -13.496 3.364 1.00 2.16 H new ATOM 0 HG21 THR A 41 10.853 -12.215 1.535 1.00 1.88 H new ATOM 0 HG22 THR A 41 10.598 -10.454 1.597 1.00 1.88 H new ATOM 0 HG23 THR A 41 11.547 -11.262 2.868 1.00 1.88 H new ATOM 635 N GLY A 42 10.714 -8.593 3.947 1.00 1.59 N ATOM 636 CA GLY A 42 11.782 -7.767 4.482 1.00 2.09 C ATOM 637 C GLY A 42 13.106 -8.533 4.513 1.00 1.98 C ATOM 638 O GLY A 42 13.923 -8.332 5.410 1.00 2.82 O ATOM 0 H GLY A 42 10.250 -8.209 3.124 1.00 1.59 H new ATOM 0 HA2 GLY A 42 11.892 -6.869 3.874 1.00 2.09 H new ATOM 0 HA3 GLY A 42 11.524 -7.440 5.489 1.00 2.09 H new ATOM 642 N GLU A 43 13.277 -9.397 3.523 1.00 2.03 N ATOM 643 CA GLU A 43 14.508 -10.157 3.397 1.00 2.52 C ATOM 644 C GLU A 43 15.682 -9.221 3.102 1.00 2.45 C ATOM 645 O GLU A 43 16.816 -9.501 3.487 1.00 3.24 O ATOM 646 CB GLU A 43 14.380 -11.233 2.317 1.00 3.41 C ATOM 647 CG GLU A 43 14.145 -12.611 2.940 1.00 4.05 C ATOM 648 CD GLU A 43 13.785 -13.642 1.869 1.00 5.28 C ATOM 649 OE1 GLU A 43 14.716 -14.062 1.149 1.00 6.01 O ATOM 650 OE2 GLU A 43 12.586 -13.988 1.795 1.00 6.19 O ATOM 0 H GLU A 43 12.583 -9.587 2.800 1.00 2.03 H new ATOM 0 HA GLU A 43 14.700 -10.661 4.344 1.00 2.52 H new ATOM 0 HB2 GLU A 43 13.555 -10.986 1.649 1.00 3.41 H new ATOM 0 HB3 GLU A 43 15.285 -11.254 1.710 1.00 3.41 H new ATOM 0 HG2 GLU A 43 15.041 -12.931 3.472 1.00 4.05 H new ATOM 0 HG3 GLU A 43 13.343 -12.550 3.675 1.00 4.05 H new ATOM 657 N LYS A 44 15.369 -8.127 2.422 1.00 2.34 N ATOM 658 CA LYS A 44 16.380 -7.139 2.087 1.00 2.57 C ATOM 659 C LYS A 44 16.851 -6.444 3.367 1.00 2.77 C ATOM 660 O LYS A 44 18.002 -6.024 3.462 1.00 3.25 O ATOM 661 CB LYS A 44 15.854 -6.174 1.021 1.00 3.34 C ATOM 662 CG LYS A 44 16.969 -5.254 0.519 1.00 4.19 C ATOM 663 CD LYS A 44 17.837 -5.962 -0.523 1.00 3.61 C ATOM 664 CE LYS A 44 17.157 -5.965 -1.894 1.00 2.91 C ATOM 665 NZ LYS A 44 18.139 -6.270 -2.958 1.00 3.60 N ATOM 0 H LYS A 44 14.429 -7.904 2.094 1.00 2.34 H new ATOM 0 HA LYS A 44 17.252 -7.621 1.645 1.00 2.57 H new ATOM 0 HB2 LYS A 44 15.440 -6.739 0.186 1.00 3.34 H new ATOM 0 HB3 LYS A 44 15.042 -5.576 1.435 1.00 3.34 H new ATOM 0 HG2 LYS A 44 16.534 -4.354 0.084 1.00 4.19 H new ATOM 0 HG3 LYS A 44 17.588 -4.936 1.358 1.00 4.19 H new ATOM 0 HD2 LYS A 44 18.804 -5.465 -0.594 1.00 3.61 H new ATOM 0 HD3 LYS A 44 18.028 -6.987 -0.206 1.00 3.61 H new ATOM 0 HE2 LYS A 44 16.356 -6.704 -1.908 1.00 2.91 H new ATOM 0 HE3 LYS A 44 16.698 -4.994 -2.081 1.00 2.91 H new ATOM 0 HZ1 LYS A 44 17.700 -6.119 -3.889 1.00 3.60 H new ATOM 0 HZ2 LYS A 44 18.964 -5.645 -2.859 1.00 3.60 H new ATOM 0 HZ3 LYS A 44 18.444 -7.261 -2.875 1.00 3.60 H new ATOM 679 N GLY A 45 15.935 -6.345 4.320 1.00 2.90 N ATOM 680 CA GLY A 45 16.254 -5.750 5.606 1.00 3.83 C ATOM 681 C GLY A 45 15.160 -4.775 6.046 1.00 3.47 C ATOM 682 O GLY A 45 14.946 -4.573 7.240 1.00 4.49 O ATOM 0 H GLY A 45 14.972 -6.667 4.226 1.00 2.90 H new ATOM 0 HA2 GLY A 45 16.370 -6.534 6.355 1.00 3.83 H new ATOM 0 HA3 GLY A 45 17.208 -5.227 5.542 1.00 3.83 H new ATOM 686 N PHE A 46 14.495 -4.196 5.056 1.00 2.38 N ATOM 687 CA PHE A 46 13.497 -3.174 5.323 1.00 2.28 C ATOM 688 C PHE A 46 12.204 -3.457 4.556 1.00 1.91 C ATOM 689 O PHE A 46 12.104 -4.460 3.851 1.00 1.72 O ATOM 690 CB PHE A 46 14.079 -1.844 4.843 1.00 2.20 C ATOM 691 CG PHE A 46 14.487 -1.839 3.368 1.00 1.80 C ATOM 692 CD1 PHE A 46 13.569 -1.543 2.410 1.00 2.62 C ATOM 693 CD2 PHE A 46 15.769 -2.130 3.017 1.00 2.55 C ATOM 694 CE1 PHE A 46 13.948 -1.539 1.041 1.00 2.48 C ATOM 695 CE2 PHE A 46 16.147 -2.126 1.648 1.00 2.87 C ATOM 696 CZ PHE A 46 15.229 -1.830 0.689 1.00 2.06 C ATOM 0 H PHE A 46 14.628 -4.415 4.069 1.00 2.38 H new ATOM 0 HA PHE A 46 13.260 -3.154 6.387 1.00 2.28 H new ATOM 0 HB2 PHE A 46 13.344 -1.057 5.009 1.00 2.20 H new ATOM 0 HB3 PHE A 46 14.950 -1.600 5.451 1.00 2.20 H new ATOM 0 HD1 PHE A 46 12.552 -1.311 2.690 1.00 2.62 H new ATOM 0 HD2 PHE A 46 16.498 -2.364 3.779 1.00 2.55 H new ATOM 0 HE1 PHE A 46 13.219 -1.305 0.280 1.00 2.48 H new ATOM 0 HE2 PHE A 46 17.164 -2.358 1.368 1.00 2.87 H new ATOM 0 HZ PHE A 46 15.517 -1.826 -0.352 1.00 2.06 H new ATOM 706 N GLY A 47 11.247 -2.556 4.719 1.00 2.11 N ATOM 707 CA GLY A 47 9.967 -2.693 4.046 1.00 2.15 C ATOM 708 C GLY A 47 8.841 -2.069 4.873 1.00 2.31 C ATOM 709 O GLY A 47 8.966 -0.939 5.344 1.00 3.39 O ATOM 0 H GLY A 47 11.332 -1.728 5.308 1.00 2.11 H new ATOM 0 HA2 GLY A 47 10.013 -2.213 3.068 1.00 2.15 H new ATOM 0 HA3 GLY A 47 9.754 -3.748 3.874 1.00 2.15 H new ATOM 713 N TYR A 48 7.770 -2.832 5.027 1.00 1.73 N ATOM 714 CA TYR A 48 6.603 -2.349 5.746 1.00 1.99 C ATOM 715 C TYR A 48 6.817 -2.435 7.259 1.00 1.75 C ATOM 716 O TYR A 48 6.179 -3.241 7.934 1.00 2.30 O ATOM 717 CB TYR A 48 5.451 -3.276 5.351 1.00 2.32 C ATOM 718 CG TYR A 48 4.931 -3.051 3.931 1.00 3.37 C ATOM 719 CD1 TYR A 48 5.497 -3.732 2.872 1.00 3.99 C ATOM 720 CD2 TYR A 48 3.895 -2.167 3.706 1.00 4.56 C ATOM 721 CE1 TYR A 48 5.007 -3.521 1.535 1.00 5.20 C ATOM 722 CE2 TYR A 48 3.405 -1.955 2.369 1.00 5.70 C ATOM 723 CZ TYR A 48 3.985 -2.643 1.349 1.00 5.76 C ATOM 724 OH TYR A 48 3.522 -2.443 0.086 1.00 7.00 O ATOM 0 H TYR A 48 7.685 -3.782 4.666 1.00 1.73 H new ATOM 0 HA TYR A 48 6.404 -1.306 5.499 1.00 1.99 H new ATOM 0 HB2 TYR A 48 5.781 -4.310 5.446 1.00 2.32 H new ATOM 0 HB3 TYR A 48 4.630 -3.138 6.054 1.00 2.32 H new ATOM 0 HD1 TYR A 48 6.308 -4.424 3.047 1.00 3.99 H new ATOM 0 HD2 TYR A 48 3.452 -1.634 4.534 1.00 4.56 H new ATOM 0 HE1 TYR A 48 5.441 -4.048 0.698 1.00 5.20 H new ATOM 0 HE2 TYR A 48 2.595 -1.266 2.180 1.00 5.70 H new ATOM 0 HH TYR A 48 2.543 -2.482 0.087 1.00 7.00 H new ATOM 734 N LYS A 49 7.716 -1.594 7.746 1.00 1.90 N ATOM 735 CA LYS A 49 7.860 -1.399 9.179 1.00 2.06 C ATOM 736 C LYS A 49 8.688 -0.140 9.438 1.00 2.04 C ATOM 737 O LYS A 49 9.565 -0.136 10.301 1.00 1.97 O ATOM 738 CB LYS A 49 8.433 -2.657 9.835 1.00 2.16 C ATOM 739 CG LYS A 49 9.812 -2.993 9.267 1.00 2.72 C ATOM 740 CD LYS A 49 10.146 -4.472 9.473 1.00 2.99 C ATOM 741 CE LYS A 49 10.119 -4.837 10.959 1.00 2.75 C ATOM 742 NZ LYS A 49 10.338 -6.290 11.140 1.00 3.71 N ATOM 0 H LYS A 49 8.353 -1.039 7.174 1.00 1.90 H new ATOM 0 HA LYS A 49 6.886 -1.241 9.642 1.00 2.06 H new ATOM 0 HB2 LYS A 49 8.506 -2.508 10.912 1.00 2.16 H new ATOM 0 HB3 LYS A 49 7.756 -3.496 9.674 1.00 2.16 H new ATOM 0 HG2 LYS A 49 9.839 -2.755 8.204 1.00 2.72 H new ATOM 0 HG3 LYS A 49 10.569 -2.375 9.751 1.00 2.72 H new ATOM 0 HD2 LYS A 49 9.431 -5.089 8.930 1.00 2.99 H new ATOM 0 HD3 LYS A 49 11.131 -4.687 9.060 1.00 2.99 H new ATOM 0 HE2 LYS A 49 10.889 -4.278 11.491 1.00 2.75 H new ATOM 0 HE3 LYS A 49 9.161 -4.551 11.392 1.00 2.75 H new ATOM 0 HZ1 LYS A 49 9.622 -6.670 11.791 1.00 3.71 H new ATOM 0 HZ2 LYS A 49 10.260 -6.770 10.221 1.00 3.71 H new ATOM 0 HZ3 LYS A 49 11.286 -6.452 11.535 1.00 3.71 H new ATOM 756 N GLY A 50 8.381 0.899 8.675 1.00 2.63 N ATOM 757 CA GLY A 50 9.137 2.138 8.758 1.00 3.04 C ATOM 758 C GLY A 50 8.933 2.814 10.115 1.00 2.18 C ATOM 759 O GLY A 50 9.890 3.023 10.859 1.00 3.05 O ATOM 0 H GLY A 50 7.619 0.909 7.997 1.00 2.63 H new ATOM 0 HA2 GLY A 50 10.197 1.933 8.605 1.00 3.04 H new ATOM 0 HA3 GLY A 50 8.825 2.813 7.961 1.00 3.04 H new ATOM 763 N SER A 51 7.679 3.138 10.396 1.00 2.15 N ATOM 764 CA SER A 51 7.344 3.834 11.627 1.00 3.05 C ATOM 765 C SER A 51 5.828 4.009 11.734 1.00 2.63 C ATOM 766 O SER A 51 5.176 3.331 12.526 1.00 3.37 O ATOM 767 CB SER A 51 8.042 5.194 11.699 1.00 4.90 C ATOM 768 OG SER A 51 9.278 5.124 12.403 1.00 6.23 O ATOM 0 H SER A 51 6.883 2.931 9.793 1.00 2.15 H new ATOM 0 HA SER A 51 7.694 3.232 12.466 1.00 3.05 H new ATOM 0 HB2 SER A 51 8.221 5.563 10.689 1.00 4.90 H new ATOM 0 HB3 SER A 51 7.386 5.913 12.190 1.00 4.90 H new ATOM 0 HG SER A 51 9.818 4.389 12.044 1.00 6.23 H new ATOM 774 N CYS A 52 5.312 4.922 10.925 1.00 2.21 N ATOM 775 CA CYS A 52 3.931 5.352 11.066 1.00 2.25 C ATOM 776 C CYS A 52 3.390 5.693 9.676 1.00 1.82 C ATOM 777 O CYS A 52 4.134 6.156 8.813 1.00 2.66 O ATOM 778 CB CYS A 52 3.801 6.529 12.034 1.00 3.31 C ATOM 779 SG CYS A 52 2.035 6.913 12.320 1.00 4.68 S ATOM 0 H CYS A 52 5.825 5.376 10.169 1.00 2.21 H new ATOM 0 HA CYS A 52 3.338 4.545 11.498 1.00 2.25 H new ATOM 0 HB2 CYS A 52 4.287 6.288 12.980 1.00 3.31 H new ATOM 0 HB3 CYS A 52 4.310 7.403 11.627 1.00 3.31 H new ATOM 0 HG CYS A 52 1.332 5.825 12.213 1.00 4.68 H new ATOM 785 N PHE A 53 2.098 5.452 9.503 1.00 1.62 N ATOM 786 CA PHE A 53 1.423 5.833 8.274 1.00 1.52 C ATOM 787 C PHE A 53 1.522 7.343 8.041 1.00 1.54 C ATOM 788 O PHE A 53 1.560 8.120 8.993 1.00 2.44 O ATOM 789 CB PHE A 53 -0.048 5.449 8.435 1.00 2.42 C ATOM 790 CG PHE A 53 -0.337 3.969 8.175 1.00 3.82 C ATOM 791 CD1 PHE A 53 0.644 3.044 8.353 1.00 4.73 C ATOM 792 CD2 PHE A 53 -1.574 3.579 7.766 1.00 4.98 C ATOM 793 CE1 PHE A 53 0.377 1.671 8.113 1.00 6.39 C ATOM 794 CE2 PHE A 53 -1.842 2.205 7.526 1.00 6.66 C ATOM 795 CZ PHE A 53 -0.861 1.280 7.704 1.00 7.19 C ATOM 0 H PHE A 53 1.501 4.997 10.194 1.00 1.62 H new ATOM 0 HA PHE A 53 1.884 5.330 7.424 1.00 1.52 H new ATOM 0 HB2 PHE A 53 -0.370 5.699 9.446 1.00 2.42 H new ATOM 0 HB3 PHE A 53 -0.647 6.051 7.752 1.00 2.42 H new ATOM 0 HD1 PHE A 53 1.626 3.354 8.677 1.00 4.73 H new ATOM 0 HD2 PHE A 53 -2.352 4.314 7.624 1.00 4.98 H new ATOM 0 HE1 PHE A 53 1.156 0.936 8.255 1.00 6.39 H new ATOM 0 HE2 PHE A 53 -2.825 1.895 7.202 1.00 6.66 H new ATOM 0 HZ PHE A 53 -1.064 0.235 7.521 1.00 7.19 H new ATOM 805 N HIS A 54 1.561 7.712 6.769 1.00 1.31 N ATOM 806 CA HIS A 54 1.673 9.111 6.398 1.00 1.71 C ATOM 807 C HIS A 54 0.283 9.750 6.375 1.00 1.58 C ATOM 808 O HIS A 54 0.000 10.659 7.152 1.00 2.34 O ATOM 809 CB HIS A 54 2.418 9.265 5.071 1.00 2.34 C ATOM 810 CG HIS A 54 3.167 8.025 4.640 1.00 2.15 C ATOM 811 ND1 HIS A 54 3.025 7.464 3.383 1.00 1.98 N ATOM 812 CD2 HIS A 54 4.063 7.247 5.311 1.00 3.25 C ATOM 813 CE1 HIS A 54 3.805 6.396 3.312 1.00 2.67 C ATOM 814 NE2 HIS A 54 4.448 6.262 4.508 1.00 3.69 N ATOM 0 H HIS A 54 1.517 7.065 5.982 1.00 1.31 H new ATOM 0 HA HIS A 54 2.266 9.641 7.144 1.00 1.71 H new ATOM 0 HB2 HIS A 54 1.703 9.534 4.294 1.00 2.34 H new ATOM 0 HB3 HIS A 54 3.123 10.092 5.156 1.00 2.34 H new ATOM 0 HD1 HIS A 54 2.422 7.813 2.638 1.00 1.98 H new ATOM 0 HD2 HIS A 54 4.402 7.405 6.324 1.00 3.25 H new ATOM 0 HE1 HIS A 54 3.913 5.745 2.457 1.00 2.67 H new ATOM 822 N ARG A 55 -0.548 9.246 5.474 1.00 0.98 N ATOM 823 CA ARG A 55 -1.833 9.871 5.210 1.00 0.97 C ATOM 824 C ARG A 55 -2.966 8.866 5.421 1.00 0.89 C ATOM 825 O ARG A 55 -2.925 7.758 4.888 1.00 1.15 O ATOM 826 CB ARG A 55 -1.900 10.411 3.780 1.00 1.26 C ATOM 827 CG ARG A 55 -3.140 11.285 3.580 1.00 1.79 C ATOM 828 CD ARG A 55 -2.823 12.756 3.854 1.00 2.43 C ATOM 829 NE ARG A 55 -2.028 13.319 2.741 1.00 2.10 N ATOM 830 CZ ARG A 55 -1.311 14.448 2.825 1.00 3.04 C ATOM 831 NH1 ARG A 55 -1.455 15.255 3.886 1.00 4.11 N ATOM 832 NH2 ARG A 55 -0.452 14.770 1.850 1.00 3.67 N ATOM 0 H ARG A 55 -0.356 8.413 4.918 1.00 0.98 H new ATOM 0 HA ARG A 55 -1.946 10.702 5.906 1.00 0.97 H new ATOM 0 HB2 ARG A 55 -1.003 10.992 3.565 1.00 1.26 H new ATOM 0 HB3 ARG A 55 -1.919 9.580 3.075 1.00 1.26 H new ATOM 0 HG2 ARG A 55 -3.508 11.172 2.560 1.00 1.79 H new ATOM 0 HG3 ARG A 55 -3.936 10.951 4.245 1.00 1.79 H new ATOM 0 HD2 ARG A 55 -3.748 13.320 3.972 1.00 2.43 H new ATOM 0 HD3 ARG A 55 -2.271 12.849 4.789 1.00 2.43 H new ATOM 0 HE ARG A 55 -2.025 12.816 1.854 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -2.110 15.009 4.628 1.00 4.11 H new ATOM 0 HH12 ARG A 55 -0.910 16.115 3.951 1.00 4.11 H new ATOM 0 HH21 ARG A 55 -0.343 14.156 1.043 1.00 3.67 H new ATOM 0 HH22 ARG A 55 0.094 15.629 1.914 1.00 3.67 H new ATOM 846 N ILE A 56 -3.952 9.287 6.199 1.00 0.83 N ATOM 847 CA ILE A 56 -5.130 8.467 6.425 1.00 0.82 C ATOM 848 C ILE A 56 -6.383 9.330 6.265 1.00 0.84 C ATOM 849 O ILE A 56 -7.011 9.709 7.253 1.00 1.41 O ATOM 850 CB ILE A 56 -5.038 7.759 7.779 1.00 0.88 C ATOM 851 CG1 ILE A 56 -3.689 7.055 7.939 1.00 1.14 C ATOM 852 CG2 ILE A 56 -6.213 6.798 7.975 1.00 0.94 C ATOM 853 CD1 ILE A 56 -3.650 6.234 9.229 1.00 1.22 C ATOM 0 H ILE A 56 -3.959 10.186 6.681 1.00 0.83 H new ATOM 0 HA ILE A 56 -5.192 7.673 5.681 1.00 0.82 H new ATOM 0 HB ILE A 56 -5.103 8.512 8.564 1.00 0.88 H new ATOM 0 HG12 ILE A 56 -3.511 6.404 7.083 1.00 1.14 H new ATOM 0 HG13 ILE A 56 -2.888 7.794 7.949 1.00 1.14 H new ATOM 0 HG21 ILE A 56 -6.124 6.308 8.944 1.00 0.94 H new ATOM 0 HG22 ILE A 56 -7.149 7.355 7.934 1.00 0.94 H new ATOM 0 HG23 ILE A 56 -6.204 6.046 7.186 1.00 0.94 H new ATOM 0 HD11 ILE A 56 -2.681 5.744 9.319 1.00 1.22 H new ATOM 0 HD12 ILE A 56 -3.805 6.892 10.084 1.00 1.22 H new ATOM 0 HD13 ILE A 56 -4.437 5.480 9.205 1.00 1.22 H new ATOM 865 N ILE A 57 -6.712 9.614 5.014 1.00 1.01 N ATOM 866 CA ILE A 57 -7.939 10.328 4.706 1.00 0.97 C ATOM 867 C ILE A 57 -9.131 9.381 4.869 1.00 1.00 C ATOM 868 O ILE A 57 -9.116 8.266 4.351 1.00 1.02 O ATOM 869 CB ILE A 57 -7.851 10.973 3.321 1.00 0.88 C ATOM 870 CG1 ILE A 57 -6.944 12.205 3.347 1.00 1.01 C ATOM 871 CG2 ILE A 57 -9.244 11.299 2.779 1.00 0.73 C ATOM 872 CD1 ILE A 57 -6.439 12.543 1.943 1.00 0.97 C ATOM 0 H ILE A 57 -6.150 9.362 4.201 1.00 1.01 H new ATOM 0 HA ILE A 57 -8.087 11.150 5.406 1.00 0.97 H new ATOM 0 HB ILE A 57 -7.399 10.254 2.637 1.00 0.88 H new ATOM 0 HG12 ILE A 57 -7.491 13.055 3.755 1.00 1.01 H new ATOM 0 HG13 ILE A 57 -6.097 12.024 4.008 1.00 1.01 H new ATOM 0 HG21 ILE A 57 -9.153 11.756 1.794 1.00 0.73 H new ATOM 0 HG22 ILE A 57 -9.828 10.382 2.701 1.00 0.73 H new ATOM 0 HG23 ILE A 57 -9.745 11.991 3.456 1.00 0.73 H new ATOM 0 HD11 ILE A 57 -5.797 13.422 1.989 1.00 0.97 H new ATOM 0 HD12 ILE A 57 -5.872 11.700 1.547 1.00 0.97 H new ATOM 0 HD13 ILE A 57 -7.288 12.748 1.291 1.00 0.97 H new ATOM 884 N PRO A 58 -10.160 9.874 5.609 1.00 1.05 N ATOM 885 CA PRO A 58 -11.344 9.075 5.870 1.00 1.10 C ATOM 886 C PRO A 58 -12.233 8.991 4.627 1.00 1.00 C ATOM 887 O PRO A 58 -12.709 10.011 4.131 1.00 0.99 O ATOM 888 CB PRO A 58 -12.028 9.756 7.044 1.00 1.23 C ATOM 889 CG PRO A 58 -11.458 11.163 7.100 1.00 1.24 C ATOM 890 CD PRO A 58 -10.221 11.201 6.217 1.00 1.12 C ATOM 0 HA PRO A 58 -11.107 8.039 6.111 1.00 1.10 H new ATOM 0 HB2 PRO A 58 -13.109 9.778 6.907 1.00 1.23 H new ATOM 0 HB3 PRO A 58 -11.835 9.219 7.973 1.00 1.23 H new ATOM 0 HG2 PRO A 58 -12.196 11.888 6.755 1.00 1.24 H new ATOM 0 HG3 PRO A 58 -11.203 11.431 8.125 1.00 1.24 H new ATOM 0 HD2 PRO A 58 -10.299 11.981 5.459 1.00 1.12 H new ATOM 0 HD3 PRO A 58 -9.324 11.411 6.800 1.00 1.12 H new ATOM 898 N GLY A 59 -12.430 7.767 4.160 1.00 1.02 N ATOM 899 CA GLY A 59 -13.326 7.527 3.042 1.00 0.98 C ATOM 900 C GLY A 59 -12.598 7.701 1.708 1.00 0.91 C ATOM 901 O GLY A 59 -13.084 8.395 0.817 1.00 1.01 O ATOM 0 H GLY A 59 -11.984 6.930 4.536 1.00 1.02 H new ATOM 0 HA2 GLY A 59 -13.734 6.518 3.109 1.00 0.98 H new ATOM 0 HA3 GLY A 59 -14.169 8.216 3.093 1.00 0.98 H new ATOM 905 N PHE A 60 -11.442 7.060 1.613 1.00 0.81 N ATOM 906 CA PHE A 60 -10.665 7.095 0.385 1.00 0.80 C ATOM 907 C PHE A 60 -9.677 5.928 0.328 1.00 0.80 C ATOM 908 O PHE A 60 -9.826 5.024 -0.493 1.00 0.85 O ATOM 909 CB PHE A 60 -9.883 8.410 0.389 1.00 0.81 C ATOM 910 CG PHE A 60 -8.940 8.575 -0.805 1.00 0.85 C ATOM 911 CD1 PHE A 60 -9.179 7.899 -1.960 1.00 1.69 C ATOM 912 CD2 PHE A 60 -7.862 9.399 -0.709 1.00 2.25 C ATOM 913 CE1 PHE A 60 -8.304 8.053 -3.067 1.00 1.75 C ATOM 914 CE2 PHE A 60 -6.986 9.553 -1.817 1.00 2.25 C ATOM 915 CZ PHE A 60 -7.226 8.876 -2.972 1.00 1.00 C ATOM 0 H PHE A 60 -11.025 6.513 2.366 1.00 0.81 H new ATOM 0 HA PHE A 60 -11.327 7.018 -0.477 1.00 0.80 H new ATOM 0 HB2 PHE A 60 -10.589 9.241 0.400 1.00 0.81 H new ATOM 0 HB3 PHE A 60 -9.302 8.473 1.309 1.00 0.81 H new ATOM 0 HD1 PHE A 60 -10.035 7.245 -2.035 1.00 1.69 H new ATOM 0 HD2 PHE A 60 -7.672 9.936 0.209 1.00 2.25 H new ATOM 0 HE1 PHE A 60 -8.495 7.516 -3.985 1.00 1.75 H new ATOM 0 HE2 PHE A 60 -6.130 10.207 -1.742 1.00 2.25 H new ATOM 0 HZ PHE A 60 -6.560 8.992 -3.814 1.00 1.00 H new ATOM 925 N MET A 61 -8.691 5.985 1.211 1.00 0.78 N ATOM 926 CA MET A 61 -7.588 5.041 1.164 1.00 0.80 C ATOM 927 C MET A 61 -6.775 5.082 2.459 1.00 0.80 C ATOM 928 O MET A 61 -7.030 5.911 3.330 1.00 0.81 O ATOM 929 CB MET A 61 -6.680 5.376 -0.021 1.00 0.84 C ATOM 930 CG MET A 61 -6.115 6.793 0.105 1.00 1.00 C ATOM 931 SD MET A 61 -4.496 6.740 0.855 1.00 1.88 S ATOM 932 CE MET A 61 -4.620 8.137 1.959 1.00 1.45 C ATOM 0 H MET A 61 -8.633 6.671 1.964 1.00 0.78 H new ATOM 0 HA MET A 61 -7.998 4.038 1.047 1.00 0.80 H new ATOM 0 HB2 MET A 61 -5.862 4.658 -0.071 1.00 0.84 H new ATOM 0 HB3 MET A 61 -7.241 5.286 -0.951 1.00 0.84 H new ATOM 0 HG2 MET A 61 -6.054 7.258 -0.879 1.00 1.00 H new ATOM 0 HG3 MET A 61 -6.784 7.408 0.707 1.00 1.00 H new ATOM 0 HE1 MET A 61 -3.686 8.249 2.510 1.00 1.45 H new ATOM 0 HE2 MET A 61 -4.811 9.041 1.381 1.00 1.45 H new ATOM 0 HE3 MET A 61 -5.438 7.975 2.660 1.00 1.45 H new ATOM 942 N CYS A 62 -5.811 4.176 2.544 1.00 0.91 N ATOM 943 CA CYS A 62 -4.951 4.107 3.713 1.00 0.99 C ATOM 944 C CYS A 62 -3.525 3.814 3.244 1.00 1.21 C ATOM 945 O CYS A 62 -3.199 2.676 2.910 1.00 1.59 O ATOM 946 CB CYS A 62 -5.446 3.064 4.718 1.00 1.09 C ATOM 947 SG CYS A 62 -6.848 3.739 5.682 1.00 1.94 S ATOM 0 H CYS A 62 -5.607 3.484 1.823 1.00 0.91 H new ATOM 0 HA CYS A 62 -4.971 5.062 4.239 1.00 0.99 H new ATOM 0 HB2 CYS A 62 -5.756 2.160 4.194 1.00 1.09 H new ATOM 0 HB3 CYS A 62 -4.635 2.781 5.389 1.00 1.09 H new ATOM 0 HG CYS A 62 -7.337 4.776 5.069 1.00 1.94 H new ATOM 953 N GLN A 63 -2.714 4.860 3.234 1.00 1.37 N ATOM 954 CA GLN A 63 -1.318 4.722 2.854 1.00 1.77 C ATOM 955 C GLN A 63 -0.490 4.235 4.045 1.00 1.56 C ATOM 956 O GLN A 63 -0.616 4.760 5.149 1.00 1.99 O ATOM 957 CB GLN A 63 -0.765 6.038 2.303 1.00 2.66 C ATOM 958 CG GLN A 63 0.671 5.865 1.805 1.00 3.43 C ATOM 959 CD GLN A 63 0.743 4.807 0.701 1.00 4.12 C ATOM 960 OE1 GLN A 63 0.177 4.950 -0.370 1.00 4.82 O ATOM 961 NE2 GLN A 63 1.471 3.741 1.021 1.00 4.86 N ATOM 0 H GLN A 63 -2.996 5.808 3.483 1.00 1.37 H new ATOM 0 HA GLN A 63 -1.250 3.978 2.060 1.00 1.77 H new ATOM 0 HB2 GLN A 63 -1.397 6.388 1.487 1.00 2.66 H new ATOM 0 HB3 GLN A 63 -0.795 6.802 3.080 1.00 2.66 H new ATOM 0 HG2 GLN A 63 1.046 6.816 1.428 1.00 3.43 H new ATOM 0 HG3 GLN A 63 1.315 5.575 2.635 1.00 3.43 H new ATOM 0 HE21 GLN A 63 1.918 3.685 1.936 1.00 4.86 H new ATOM 0 HE22 GLN A 63 1.582 2.980 0.351 1.00 4.86 H new ATOM 970 N GLY A 64 0.341 3.236 3.779 1.00 1.43 N ATOM 971 CA GLY A 64 1.071 2.568 4.842 1.00 2.07 C ATOM 972 C GLY A 64 2.229 3.433 5.340 1.00 2.37 C ATOM 973 O GLY A 64 2.270 4.634 5.076 1.00 3.30 O ATOM 0 H GLY A 64 0.524 2.874 2.843 1.00 1.43 H new ATOM 0 HA2 GLY A 64 0.396 2.347 5.669 1.00 2.07 H new ATOM 0 HA3 GLY A 64 1.455 1.614 4.481 1.00 2.07 H new ATOM 977 N GLY A 65 3.143 2.789 6.052 1.00 3.01 N ATOM 978 CA GLY A 65 4.263 3.498 6.649 1.00 3.86 C ATOM 979 C GLY A 65 5.437 3.590 5.672 1.00 2.93 C ATOM 980 O GLY A 65 6.233 4.526 5.739 1.00 3.44 O ATOM 0 H GLY A 65 3.131 1.785 6.229 1.00 3.01 H new ATOM 0 HA2 GLY A 65 3.949 4.500 6.942 1.00 3.86 H new ATOM 0 HA3 GLY A 65 4.580 2.985 7.557 1.00 3.86 H new ATOM 984 N ASP A 66 5.508 2.608 4.785 1.00 2.79 N ATOM 985 CA ASP A 66 6.498 2.627 3.723 1.00 2.94 C ATOM 986 C ASP A 66 7.896 2.509 4.332 1.00 2.50 C ATOM 987 O ASP A 66 8.036 2.272 5.531 1.00 2.87 O ATOM 988 CB ASP A 66 6.435 3.938 2.936 1.00 3.33 C ATOM 989 CG ASP A 66 6.708 3.806 1.436 1.00 4.59 C ATOM 990 OD1 ASP A 66 7.749 3.202 1.100 1.00 5.35 O ATOM 991 OD2 ASP A 66 5.869 4.313 0.660 1.00 5.57 O ATOM 0 H ASP A 66 4.895 1.793 4.781 1.00 2.79 H new ATOM 0 HA ASP A 66 6.290 1.793 3.053 1.00 2.94 H new ATOM 0 HB2 ASP A 66 5.448 4.379 3.073 1.00 3.33 H new ATOM 0 HB3 ASP A 66 7.157 4.635 3.361 1.00 3.33 H new ATOM 1142 N SER A 77 12.528 0.349 -4.495 1.00 1.52 N ATOM 1143 CA SER A 77 12.376 -1.055 -4.841 1.00 1.45 C ATOM 1144 C SER A 77 13.514 -1.872 -4.225 1.00 1.16 C ATOM 1145 O SER A 77 14.388 -1.321 -3.558 1.00 1.43 O ATOM 1146 CB SER A 77 12.347 -1.247 -6.359 1.00 1.80 C ATOM 1147 OG SER A 77 11.323 -0.471 -6.975 1.00 2.24 O ATOM 0 HA SER A 77 11.426 -1.406 -4.438 1.00 1.45 H new ATOM 0 HB2 SER A 77 13.314 -0.969 -6.778 1.00 1.80 H new ATOM 0 HB3 SER A 77 12.191 -2.301 -6.588 1.00 1.80 H new ATOM 0 HG SER A 77 10.874 0.076 -6.297 1.00 2.24 H new ATOM 1153 N ILE A 78 13.466 -3.172 -4.471 1.00 1.07 N ATOM 1154 CA ILE A 78 14.447 -4.079 -3.899 1.00 1.15 C ATOM 1155 C ILE A 78 15.443 -4.495 -4.984 1.00 1.50 C ATOM 1156 O ILE A 78 16.356 -5.278 -4.726 1.00 1.92 O ATOM 1157 CB ILE A 78 13.752 -5.260 -3.218 1.00 1.43 C ATOM 1158 CG1 ILE A 78 13.564 -6.423 -4.193 1.00 1.86 C ATOM 1159 CG2 ILE A 78 12.430 -4.826 -2.581 1.00 1.65 C ATOM 1160 CD1 ILE A 78 12.697 -6.007 -5.383 1.00 1.88 C ATOM 0 H ILE A 78 12.763 -3.620 -5.059 1.00 1.07 H new ATOM 0 HA ILE A 78 15.017 -3.579 -3.116 1.00 1.15 H new ATOM 0 HB ILE A 78 14.395 -5.616 -2.413 1.00 1.43 H new ATOM 0 HG12 ILE A 78 14.536 -6.765 -4.549 1.00 1.86 H new ATOM 0 HG13 ILE A 78 13.100 -7.263 -3.677 1.00 1.86 H new ATOM 0 HG21 ILE A 78 11.957 -5.684 -2.104 1.00 1.65 H new ATOM 0 HG22 ILE A 78 12.622 -4.056 -1.834 1.00 1.65 H new ATOM 0 HG23 ILE A 78 11.769 -4.428 -3.351 1.00 1.65 H new ATOM 0 HD11 ILE A 78 12.579 -6.853 -6.061 1.00 1.88 H new ATOM 0 HD12 ILE A 78 11.717 -5.689 -5.026 1.00 1.88 H new ATOM 0 HD13 ILE A 78 13.176 -5.183 -5.911 1.00 1.88 H new ATOM 1172 N TYR A 79 15.234 -3.951 -6.173 1.00 1.53 N ATOM 1173 CA TYR A 79 16.102 -4.255 -7.298 1.00 1.96 C ATOM 1174 C TYR A 79 17.000 -3.062 -7.637 1.00 2.09 C ATOM 1175 O TYR A 79 17.880 -3.166 -8.489 1.00 2.56 O ATOM 1176 CB TYR A 79 15.176 -4.534 -8.484 1.00 2.18 C ATOM 1177 CG TYR A 79 15.051 -6.016 -8.841 1.00 2.52 C ATOM 1178 CD1 TYR A 79 16.167 -6.728 -9.233 1.00 3.46 C ATOM 1179 CD2 TYR A 79 13.823 -6.642 -8.772 1.00 2.71 C ATOM 1180 CE1 TYR A 79 16.050 -8.123 -9.569 1.00 3.93 C ATOM 1181 CE2 TYR A 79 13.706 -8.037 -9.108 1.00 3.05 C ATOM 1182 CZ TYR A 79 14.825 -8.709 -9.490 1.00 3.42 C ATOM 1183 OH TYR A 79 14.715 -10.026 -9.808 1.00 3.92 O ATOM 0 H TYR A 79 14.476 -3.301 -6.382 1.00 1.53 H new ATOM 0 HA TYR A 79 16.749 -5.101 -7.065 1.00 1.96 H new ATOM 0 HB2 TYR A 79 14.185 -4.140 -8.258 1.00 2.18 H new ATOM 0 HB3 TYR A 79 15.544 -3.991 -9.355 1.00 2.18 H new ATOM 0 HD1 TYR A 79 17.128 -6.238 -9.288 1.00 3.46 H new ATOM 0 HD2 TYR A 79 12.950 -6.085 -8.466 1.00 2.71 H new ATOM 0 HE1 TYR A 79 16.915 -8.691 -9.877 1.00 3.93 H new ATOM 0 HE2 TYR A 79 12.751 -8.539 -9.058 1.00 3.05 H new ATOM 0 HH TYR A 79 13.783 -10.311 -9.705 1.00 3.92 H new ATOM 1193 N GLY A 80 16.744 -1.958 -6.951 1.00 1.78 N ATOM 1194 CA GLY A 80 17.518 -0.747 -7.168 1.00 1.95 C ATOM 1195 C GLY A 80 16.809 0.470 -6.572 1.00 2.00 C ATOM 1196 O GLY A 80 17.274 1.043 -5.587 1.00 2.92 O ATOM 0 H GLY A 80 16.012 -1.876 -6.245 1.00 1.78 H new ATOM 0 HA2 GLY A 80 18.504 -0.855 -6.716 1.00 1.95 H new ATOM 0 HA3 GLY A 80 17.672 -0.596 -8.236 1.00 1.95 H new ATOM 1200 N GLU A 81 15.696 0.830 -7.193 1.00 2.07 N ATOM 1201 CA GLU A 81 14.921 1.971 -6.739 1.00 2.03 C ATOM 1202 C GLU A 81 13.515 1.932 -7.341 1.00 1.94 C ATOM 1203 O GLU A 81 12.526 2.120 -6.635 1.00 2.06 O ATOM 1204 CB GLU A 81 15.626 3.285 -7.077 1.00 2.17 C ATOM 1205 CG GLU A 81 14.844 4.484 -6.536 1.00 2.39 C ATOM 1206 CD GLU A 81 15.476 5.802 -6.990 1.00 2.75 C ATOM 1207 OE1 GLU A 81 15.656 5.951 -8.217 1.00 4.04 O ATOM 1208 OE2 GLU A 81 15.764 6.629 -6.098 1.00 2.57 O ATOM 0 H GLU A 81 15.312 0.351 -8.008 1.00 2.07 H new ATOM 0 HA GLU A 81 14.832 1.915 -5.654 1.00 2.03 H new ATOM 0 HB2 GLU A 81 16.631 3.281 -6.655 1.00 2.17 H new ATOM 0 HB3 GLU A 81 15.735 3.375 -8.158 1.00 2.17 H new ATOM 0 HG2 GLU A 81 13.811 4.434 -6.881 1.00 2.39 H new ATOM 0 HG3 GLU A 81 14.819 4.445 -5.447 1.00 2.39 H new ATOM 1215 N LYS A 82 13.471 1.686 -8.643 1.00 1.82 N ATOM 1216 CA LYS A 82 12.205 1.640 -9.354 1.00 1.74 C ATOM 1217 C LYS A 82 12.433 1.081 -10.760 1.00 1.61 C ATOM 1218 O LYS A 82 13.574 0.937 -11.195 1.00 1.78 O ATOM 1219 CB LYS A 82 11.533 3.015 -9.340 1.00 1.64 C ATOM 1220 CG LYS A 82 12.552 4.126 -9.595 1.00 1.98 C ATOM 1221 CD LYS A 82 12.725 4.380 -11.093 1.00 3.10 C ATOM 1222 CE LYS A 82 14.194 4.630 -11.443 1.00 4.28 C ATOM 1223 NZ LYS A 82 14.972 3.375 -11.337 1.00 5.73 N ATOM 0 H LYS A 82 14.292 1.516 -9.224 1.00 1.82 H new ATOM 0 HA LYS A 82 11.511 0.966 -8.852 1.00 1.74 H new ATOM 0 HB2 LYS A 82 10.753 3.050 -10.101 1.00 1.64 H new ATOM 0 HB3 LYS A 82 11.047 3.176 -8.378 1.00 1.64 H new ATOM 0 HG2 LYS A 82 12.227 5.042 -9.103 1.00 1.98 H new ATOM 0 HG3 LYS A 82 13.511 3.852 -9.156 1.00 1.98 H new ATOM 0 HD2 LYS A 82 12.355 3.523 -11.656 1.00 3.10 H new ATOM 0 HD3 LYS A 82 12.125 5.240 -11.391 1.00 3.10 H new ATOM 0 HE2 LYS A 82 14.270 5.028 -12.455 1.00 4.28 H new ATOM 0 HE3 LYS A 82 14.611 5.381 -10.773 1.00 4.28 H new ATOM 0 HZ1 LYS A 82 15.654 3.322 -12.120 1.00 5.73 H new ATOM 0 HZ2 LYS A 82 15.483 3.359 -10.431 1.00 5.73 H new ATOM 0 HZ3 LYS A 82 14.326 2.561 -11.385 1.00 5.73 H new ATOM 1237 N PHE A 83 11.330 0.783 -11.429 1.00 1.62 N ATOM 1238 CA PHE A 83 11.396 0.214 -12.765 1.00 1.83 C ATOM 1239 C PHE A 83 10.143 0.561 -13.572 1.00 1.61 C ATOM 1240 O PHE A 83 9.149 1.019 -13.013 1.00 1.37 O ATOM 1241 CB PHE A 83 11.479 -1.304 -12.602 1.00 2.50 C ATOM 1242 CG PHE A 83 10.357 -1.900 -11.749 1.00 1.88 C ATOM 1243 CD1 PHE A 83 10.459 -1.900 -10.393 1.00 1.94 C ATOM 1244 CD2 PHE A 83 9.257 -2.431 -12.348 1.00 2.56 C ATOM 1245 CE1 PHE A 83 9.418 -2.453 -9.602 1.00 2.11 C ATOM 1246 CE2 PHE A 83 8.216 -2.984 -11.556 1.00 2.26 C ATOM 1247 CZ PHE A 83 8.318 -2.983 -10.201 1.00 1.66 C ATOM 0 H PHE A 83 10.385 0.925 -11.072 1.00 1.62 H new ATOM 0 HA PHE A 83 12.260 0.614 -13.296 1.00 1.83 H new ATOM 0 HB2 PHE A 83 11.457 -1.767 -13.589 1.00 2.50 H new ATOM 0 HB3 PHE A 83 12.438 -1.559 -12.152 1.00 2.50 H new ATOM 0 HD1 PHE A 83 11.333 -1.479 -9.918 1.00 1.94 H new ATOM 0 HD2 PHE A 83 9.175 -2.432 -13.425 1.00 2.56 H new ATOM 0 HE1 PHE A 83 9.499 -2.453 -8.525 1.00 2.11 H new ATOM 0 HE2 PHE A 83 7.343 -3.406 -12.031 1.00 2.26 H new ATOM 0 HZ PHE A 83 7.525 -3.403 -9.600 1.00 1.66 H new ATOM 1257 N GLU A 84 10.234 0.330 -14.873 1.00 1.85 N ATOM 1258 CA GLU A 84 9.151 0.689 -15.773 1.00 1.74 C ATOM 1259 C GLU A 84 7.842 0.046 -15.312 1.00 1.61 C ATOM 1260 O GLU A 84 7.852 -0.884 -14.506 1.00 1.75 O ATOM 1261 CB GLU A 84 9.480 0.290 -17.214 1.00 2.09 C ATOM 1262 CG GLU A 84 10.539 1.219 -17.812 1.00 3.40 C ATOM 1263 CD GLU A 84 10.848 0.837 -19.260 1.00 4.19 C ATOM 1264 OE1 GLU A 84 11.587 -0.154 -19.441 1.00 4.07 O ATOM 1265 OE2 GLU A 84 10.338 1.545 -20.155 1.00 5.45 O ATOM 0 H GLU A 84 11.040 -0.101 -15.325 1.00 1.85 H new ATOM 0 HA GLU A 84 9.029 1.772 -15.749 1.00 1.74 H new ATOM 0 HB2 GLU A 84 9.839 -0.739 -17.237 1.00 2.09 H new ATOM 0 HB3 GLU A 84 8.575 0.326 -17.821 1.00 2.09 H new ATOM 0 HG2 GLU A 84 10.188 2.250 -17.771 1.00 3.40 H new ATOM 0 HG3 GLU A 84 11.450 1.168 -17.216 1.00 3.40 H new ATOM 1272 N ASP A 85 6.745 0.566 -15.843 1.00 1.51 N ATOM 1273 CA ASP A 85 5.429 0.076 -15.471 1.00 1.41 C ATOM 1274 C ASP A 85 5.033 -1.072 -16.403 1.00 1.57 C ATOM 1275 O ASP A 85 5.499 -1.141 -17.540 1.00 2.42 O ATOM 1276 CB ASP A 85 4.374 1.176 -15.602 1.00 1.35 C ATOM 1277 CG ASP A 85 3.127 0.983 -14.737 1.00 1.78 C ATOM 1278 OD1 ASP A 85 3.296 0.935 -13.500 1.00 2.57 O ATOM 1279 OD2 ASP A 85 2.032 0.888 -15.333 1.00 3.17 O ATOM 0 H ASP A 85 6.741 1.322 -16.528 1.00 1.51 H new ATOM 0 HA ASP A 85 5.475 -0.258 -14.435 1.00 1.41 H new ATOM 0 HB2 ASP A 85 4.832 2.131 -15.344 1.00 1.35 H new ATOM 0 HB3 ASP A 85 4.067 1.242 -16.646 1.00 1.35 H new ATOM 1284 N GLU A 86 4.179 -1.943 -15.888 1.00 1.05 N ATOM 1285 CA GLU A 86 3.795 -3.137 -16.620 1.00 1.11 C ATOM 1286 C GLU A 86 2.600 -2.841 -17.529 1.00 1.08 C ATOM 1287 O GLU A 86 2.755 -2.718 -18.743 1.00 1.29 O ATOM 1288 CB GLU A 86 3.485 -4.290 -15.664 1.00 1.13 C ATOM 1289 CG GLU A 86 4.386 -5.494 -15.945 1.00 2.22 C ATOM 1290 CD GLU A 86 3.886 -6.283 -17.157 1.00 3.57 C ATOM 1291 OE1 GLU A 86 2.731 -6.755 -17.089 1.00 4.38 O ATOM 1292 OE2 GLU A 86 4.671 -6.397 -18.124 1.00 4.63 O ATOM 0 H GLU A 86 3.742 -1.846 -14.972 1.00 1.05 H new ATOM 0 HA GLU A 86 4.634 -3.443 -17.245 1.00 1.11 H new ATOM 0 HB2 GLU A 86 3.624 -3.960 -14.634 1.00 1.13 H new ATOM 0 HB3 GLU A 86 2.440 -4.582 -15.767 1.00 1.13 H new ATOM 0 HG2 GLU A 86 5.407 -5.155 -16.123 1.00 2.22 H new ATOM 0 HG3 GLU A 86 4.414 -6.144 -15.070 1.00 2.22 H new ATOM 1299 N ASN A 87 1.435 -2.738 -16.906 1.00 0.89 N ATOM 1300 CA ASN A 87 0.216 -2.451 -17.643 1.00 0.90 C ATOM 1301 C ASN A 87 -0.955 -2.352 -16.662 1.00 0.68 C ATOM 1302 O ASN A 87 -0.812 -2.675 -15.485 1.00 0.71 O ATOM 1303 CB ASN A 87 -0.098 -3.565 -18.643 1.00 1.12 C ATOM 1304 CG ASN A 87 0.691 -4.835 -18.314 1.00 1.53 C ATOM 1305 OD1 ASN A 87 1.501 -5.311 -19.091 1.00 3.11 O ATOM 1306 ND2 ASN A 87 0.408 -5.354 -17.124 1.00 1.23 N ATOM 0 H ASN A 87 1.310 -2.848 -15.900 1.00 0.89 H new ATOM 0 HA ASN A 87 0.359 -1.514 -18.181 1.00 0.90 H new ATOM 0 HB2 ASN A 87 -1.166 -3.782 -18.628 1.00 1.12 H new ATOM 0 HB3 ASN A 87 0.145 -3.232 -19.652 1.00 1.12 H new ATOM 0 HD21 ASN A 87 0.881 -6.202 -16.812 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -0.282 -4.904 -16.522 1.00 1.23 H new ATOM 1313 N PHE A 88 -2.087 -1.905 -17.187 1.00 0.72 N ATOM 1314 CA PHE A 88 -3.289 -1.785 -16.380 1.00 0.64 C ATOM 1315 C PHE A 88 -4.276 -2.910 -16.695 1.00 0.63 C ATOM 1316 O PHE A 88 -5.468 -2.664 -16.872 1.00 0.75 O ATOM 1317 CB PHE A 88 -3.934 -0.443 -16.734 1.00 0.85 C ATOM 1318 CG PHE A 88 -2.981 0.750 -16.639 1.00 0.94 C ATOM 1319 CD1 PHE A 88 -2.403 1.066 -15.449 1.00 1.74 C ATOM 1320 CD2 PHE A 88 -2.711 1.494 -17.744 1.00 1.97 C ATOM 1321 CE1 PHE A 88 -1.518 2.173 -15.361 1.00 1.75 C ATOM 1322 CE2 PHE A 88 -1.826 2.602 -17.656 1.00 2.16 C ATOM 1323 CZ PHE A 88 -1.249 2.918 -16.466 1.00 1.29 C ATOM 0 H PHE A 88 -2.197 -1.622 -18.161 1.00 0.72 H new ATOM 0 HA PHE A 88 -3.034 -1.848 -15.322 1.00 0.64 H new ATOM 0 HB2 PHE A 88 -4.330 -0.498 -17.748 1.00 0.85 H new ATOM 0 HB3 PHE A 88 -4.781 -0.272 -16.069 1.00 0.85 H new ATOM 0 HD1 PHE A 88 -2.617 0.475 -14.571 1.00 1.74 H new ATOM 0 HD2 PHE A 88 -3.169 1.243 -18.689 1.00 1.97 H new ATOM 0 HE1 PHE A 88 -1.059 2.423 -14.416 1.00 1.75 H new ATOM 0 HE2 PHE A 88 -1.612 3.193 -18.534 1.00 2.16 H new ATOM 0 HZ PHE A 88 -0.577 3.761 -16.399 1.00 1.29 H new ATOM 1333 N ILE A 89 -3.743 -4.122 -16.754 1.00 0.59 N ATOM 1334 CA ILE A 89 -4.567 -5.289 -17.015 1.00 0.68 C ATOM 1335 C ILE A 89 -5.748 -5.303 -16.044 1.00 0.61 C ATOM 1336 O ILE A 89 -6.898 -5.433 -16.461 1.00 0.68 O ATOM 1337 CB ILE A 89 -3.720 -6.563 -16.972 1.00 0.87 C ATOM 1338 CG1 ILE A 89 -2.812 -6.660 -18.199 1.00 0.99 C ATOM 1339 CG2 ILE A 89 -4.603 -7.803 -16.813 1.00 1.03 C ATOM 1340 CD1 ILE A 89 -1.714 -7.705 -17.987 1.00 1.15 C ATOM 0 H ILE A 89 -2.751 -4.320 -16.625 1.00 0.59 H new ATOM 0 HA ILE A 89 -4.983 -5.244 -18.021 1.00 0.68 H new ATOM 0 HB ILE A 89 -3.073 -6.513 -16.096 1.00 0.87 H new ATOM 0 HG12 ILE A 89 -3.405 -6.923 -19.075 1.00 0.99 H new ATOM 0 HG13 ILE A 89 -2.361 -5.688 -18.400 1.00 0.99 H new ATOM 0 HG21 ILE A 89 -3.977 -8.695 -16.785 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -5.170 -7.729 -15.885 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -5.292 -7.870 -17.655 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -1.082 -7.754 -18.874 1.00 1.15 H new ATOM 0 HD12 ILE A 89 -1.108 -7.426 -17.125 1.00 1.15 H new ATOM 0 HD13 ILE A 89 -2.169 -8.680 -17.811 1.00 1.15 H new ATOM 1352 N LEU A 90 -5.425 -5.167 -14.766 1.00 0.60 N ATOM 1353 CA LEU A 90 -6.445 -5.161 -13.731 1.00 0.57 C ATOM 1354 C LEU A 90 -6.997 -3.743 -13.574 1.00 0.57 C ATOM 1355 O LEU A 90 -6.305 -2.768 -13.860 1.00 0.94 O ATOM 1356 CB LEU A 90 -5.894 -5.755 -12.433 1.00 0.76 C ATOM 1357 CG LEU A 90 -5.677 -7.269 -12.428 1.00 1.11 C ATOM 1358 CD1 LEU A 90 -4.216 -7.615 -12.717 1.00 1.15 C ATOM 1359 CD2 LEU A 90 -6.163 -7.888 -11.115 1.00 2.76 C ATOM 0 H LEU A 90 -4.470 -5.060 -14.424 1.00 0.60 H new ATOM 0 HA LEU A 90 -7.282 -5.799 -14.016 1.00 0.57 H new ATOM 0 HB2 LEU A 90 -4.943 -5.271 -12.210 1.00 0.76 H new ATOM 0 HB3 LEU A 90 -6.578 -5.503 -11.622 1.00 0.76 H new ATOM 0 HG LEU A 90 -6.275 -7.702 -13.230 1.00 1.11 H new ATOM 0 HD11 LEU A 90 -4.090 -8.698 -12.707 1.00 1.15 H new ATOM 0 HD12 LEU A 90 -3.937 -7.226 -13.696 1.00 1.15 H new ATOM 0 HD13 LEU A 90 -3.579 -7.169 -11.954 1.00 1.15 H new ATOM 0 HD21 LEU A 90 -5.997 -8.965 -11.137 1.00 2.76 H new ATOM 0 HD22 LEU A 90 -5.611 -7.453 -10.282 1.00 2.76 H new ATOM 0 HD23 LEU A 90 -7.227 -7.687 -10.990 1.00 2.76 H new ATOM 1371 N LYS A 91 -8.240 -3.674 -13.118 1.00 0.52 N ATOM 1372 CA LYS A 91 -8.932 -2.399 -13.023 1.00 0.52 C ATOM 1373 C LYS A 91 -9.251 -2.107 -11.556 1.00 0.48 C ATOM 1374 O LYS A 91 -8.917 -2.895 -10.674 1.00 0.47 O ATOM 1375 CB LYS A 91 -10.160 -2.388 -13.935 1.00 0.64 C ATOM 1376 CG LYS A 91 -9.779 -2.002 -15.364 1.00 1.19 C ATOM 1377 CD LYS A 91 -11.023 -1.856 -16.243 1.00 1.27 C ATOM 1378 CE LYS A 91 -11.706 -0.508 -16.007 1.00 2.21 C ATOM 1379 NZ LYS A 91 -11.006 0.565 -16.748 1.00 3.62 N ATOM 0 H LYS A 91 -8.785 -4.479 -12.811 1.00 0.52 H new ATOM 0 HA LYS A 91 -8.294 -1.590 -13.378 1.00 0.52 H new ATOM 0 HB2 LYS A 91 -10.627 -3.373 -13.933 1.00 0.64 H new ATOM 0 HB3 LYS A 91 -10.898 -1.684 -13.549 1.00 0.64 H new ATOM 0 HG2 LYS A 91 -9.223 -1.064 -15.355 1.00 1.19 H new ATOM 0 HG3 LYS A 91 -9.119 -2.760 -15.785 1.00 1.19 H new ATOM 0 HD2 LYS A 91 -10.744 -1.947 -17.293 1.00 1.27 H new ATOM 0 HD3 LYS A 91 -11.722 -2.664 -16.028 1.00 1.27 H new ATOM 0 HE2 LYS A 91 -12.747 -0.560 -16.327 1.00 2.21 H new ATOM 0 HE3 LYS A 91 -11.712 -0.278 -14.942 1.00 2.21 H new ATOM 0 HZ1 LYS A 91 -11.611 1.410 -16.789 1.00 3.62 H new ATOM 0 HZ2 LYS A 91 -10.117 0.799 -16.262 1.00 3.62 H new ATOM 0 HZ3 LYS A 91 -10.798 0.241 -17.714 1.00 3.62 H new ATOM 1393 N HIS A 92 -9.895 -0.968 -11.340 1.00 0.53 N ATOM 1394 CA HIS A 92 -10.294 -0.578 -9.998 1.00 0.50 C ATOM 1395 C HIS A 92 -11.812 -0.697 -9.860 1.00 0.54 C ATOM 1396 O HIS A 92 -12.532 0.289 -10.004 1.00 0.69 O ATOM 1397 CB HIS A 92 -9.776 0.823 -9.664 1.00 0.58 C ATOM 1398 CG HIS A 92 -8.299 1.008 -9.914 1.00 0.78 C ATOM 1399 ND1 HIS A 92 -7.512 0.596 -10.949 1.00 1.07 N flip ATOM 1400 CD2 HIS A 92 -7.469 1.688 -9.039 1.00 2.34 C flip ATOM 1401 CE1 HIS A 92 -6.269 1.002 -10.720 1.00 0.72 C flip ATOM 1402 NE2 HIS A 92 -6.242 1.679 -9.536 1.00 1.98 N flip ATOM 0 H HIS A 92 -10.150 -0.304 -12.071 1.00 0.53 H new ATOM 0 HA HIS A 92 -9.844 -1.252 -9.269 1.00 0.50 H new ATOM 0 HB2 HIS A 92 -10.328 1.554 -10.255 1.00 0.58 H new ATOM 0 HB3 HIS A 92 -9.986 1.036 -8.616 1.00 0.58 H new ATOM 0 HD2 HIS A 92 -7.771 2.147 -8.109 1.00 2.34 H new ATOM 0 HE1 HIS A 92 -5.420 0.826 -11.364 1.00 0.72 H new ATOM 0 HE2 HIS A 92 -5.420 2.104 -9.108 1.00 1.98 H new ATOM 1410 N THR A 93 -12.255 -1.915 -9.581 1.00 0.58 N ATOM 1411 CA THR A 93 -13.678 -2.202 -9.538 1.00 0.73 C ATOM 1412 C THR A 93 -14.364 -1.341 -8.475 1.00 0.78 C ATOM 1413 O THR A 93 -15.431 -0.781 -8.718 1.00 1.09 O ATOM 1414 CB THR A 93 -13.850 -3.704 -9.307 1.00 0.84 C ATOM 1415 OG1 THR A 93 -12.868 -4.020 -8.324 1.00 0.75 O ATOM 1416 CG2 THR A 93 -13.439 -4.535 -10.525 1.00 0.99 C ATOM 0 H THR A 93 -11.653 -2.714 -9.383 1.00 0.58 H new ATOM 0 HA THR A 93 -14.162 -1.946 -10.480 1.00 0.73 H new ATOM 0 HB THR A 93 -14.890 -3.915 -9.057 1.00 0.84 H new ATOM 0 HG1 THR A 93 -12.911 -4.976 -8.114 1.00 0.75 H new ATOM 0 HG21 THR A 93 -13.581 -5.594 -10.308 1.00 0.99 H new ATOM 0 HG22 THR A 93 -14.053 -4.255 -11.381 1.00 0.99 H new ATOM 0 HG23 THR A 93 -12.390 -4.349 -10.755 1.00 0.99 H new ATOM 1424 N GLY A 94 -13.722 -1.264 -7.318 1.00 0.59 N ATOM 1425 CA GLY A 94 -14.279 -0.517 -6.203 1.00 0.59 C ATOM 1426 C GLY A 94 -13.371 -0.611 -4.973 1.00 0.57 C ATOM 1427 O GLY A 94 -12.150 -0.543 -5.093 1.00 0.57 O ATOM 0 H GLY A 94 -12.822 -1.706 -7.129 1.00 0.59 H new ATOM 0 HA2 GLY A 94 -14.406 0.528 -6.487 1.00 0.59 H new ATOM 0 HA3 GLY A 94 -15.269 -0.903 -5.960 1.00 0.59 H new ATOM 1431 N PRO A 95 -14.022 -0.769 -3.789 1.00 0.58 N ATOM 1432 CA PRO A 95 -13.288 -0.859 -2.539 1.00 0.58 C ATOM 1433 C PRO A 95 -12.618 -2.226 -2.393 1.00 0.59 C ATOM 1434 O PRO A 95 -13.234 -3.255 -2.666 1.00 0.61 O ATOM 1435 CB PRO A 95 -14.319 -0.584 -1.457 1.00 0.61 C ATOM 1436 CG PRO A 95 -15.675 -0.810 -2.106 1.00 0.62 C ATOM 1437 CD PRO A 95 -15.468 -0.866 -3.611 1.00 0.60 C ATOM 0 HA PRO A 95 -12.468 -0.143 -2.481 1.00 0.58 H new ATOM 0 HB2 PRO A 95 -14.178 -1.249 -0.605 1.00 0.61 H new ATOM 0 HB3 PRO A 95 -14.230 0.436 -1.083 1.00 0.61 H new ATOM 0 HG2 PRO A 95 -16.120 -1.738 -1.747 1.00 0.62 H new ATOM 0 HG3 PRO A 95 -16.362 -0.005 -1.845 1.00 0.62 H new ATOM 0 HD2 PRO A 95 -15.857 -1.794 -4.030 1.00 0.60 H new ATOM 0 HD3 PRO A 95 -15.985 -0.048 -4.113 1.00 0.60 H new ATOM 1445 N GLY A 96 -11.365 -2.194 -1.964 1.00 0.74 N ATOM 1446 CA GLY A 96 -10.636 -3.420 -1.687 1.00 0.73 C ATOM 1447 C GLY A 96 -9.830 -3.866 -2.908 1.00 0.76 C ATOM 1448 O GLY A 96 -9.941 -5.010 -3.347 1.00 1.15 O ATOM 0 H GLY A 96 -10.836 -1.337 -1.801 1.00 0.74 H new ATOM 0 HA2 GLY A 96 -9.966 -3.266 -0.841 1.00 0.73 H new ATOM 0 HA3 GLY A 96 -11.335 -4.206 -1.401 1.00 0.73 H new ATOM 1452 N ILE A 97 -9.034 -2.940 -3.422 1.00 0.60 N ATOM 1453 CA ILE A 97 -8.120 -3.257 -4.507 1.00 0.57 C ATOM 1454 C ILE A 97 -6.715 -2.775 -4.141 1.00 0.61 C ATOM 1455 O ILE A 97 -6.545 -1.660 -3.649 1.00 0.67 O ATOM 1456 CB ILE A 97 -8.640 -2.688 -5.829 1.00 0.66 C ATOM 1457 CG1 ILE A 97 -9.044 -3.811 -6.787 1.00 1.38 C ATOM 1458 CG2 ILE A 97 -7.619 -1.739 -6.457 1.00 0.74 C ATOM 1459 CD1 ILE A 97 -10.494 -4.237 -6.553 1.00 1.19 C ATOM 0 H ILE A 97 -9.003 -1.970 -3.108 1.00 0.60 H new ATOM 0 HA ILE A 97 -8.060 -4.336 -4.652 1.00 0.57 H new ATOM 0 HB ILE A 97 -9.536 -2.104 -5.621 1.00 0.66 H new ATOM 0 HG12 ILE A 97 -8.921 -3.477 -7.817 1.00 1.38 H new ATOM 0 HG13 ILE A 97 -8.383 -4.667 -6.649 1.00 1.38 H new ATOM 0 HG21 ILE A 97 -8.014 -1.349 -7.395 1.00 0.74 H new ATOM 0 HG22 ILE A 97 -7.423 -0.912 -5.774 1.00 0.74 H new ATOM 0 HG23 ILE A 97 -6.692 -2.278 -6.650 1.00 0.74 H new ATOM 0 HD11 ILE A 97 -10.755 -5.036 -7.247 1.00 1.19 H new ATOM 0 HD12 ILE A 97 -10.608 -4.594 -5.529 1.00 1.19 H new ATOM 0 HD13 ILE A 97 -11.154 -3.385 -6.716 1.00 1.19 H new ATOM 1471 N LEU A 98 -5.743 -3.638 -4.395 1.00 0.66 N ATOM 1472 CA LEU A 98 -4.361 -3.327 -4.071 1.00 0.75 C ATOM 1473 C LEU A 98 -3.745 -2.515 -5.212 1.00 0.59 C ATOM 1474 O LEU A 98 -3.117 -3.077 -6.109 1.00 0.69 O ATOM 1475 CB LEU A 98 -3.588 -4.604 -3.736 1.00 1.00 C ATOM 1476 CG LEU A 98 -2.267 -4.412 -2.990 1.00 1.18 C ATOM 1477 CD1 LEU A 98 -2.513 -4.078 -1.517 1.00 0.92 C ATOM 1478 CD2 LEU A 98 -1.359 -5.633 -3.158 1.00 2.26 C ATOM 0 H LEU A 98 -5.885 -4.553 -4.822 1.00 0.66 H new ATOM 0 HA LEU A 98 -4.309 -2.708 -3.175 1.00 0.75 H new ATOM 0 HB2 LEU A 98 -4.231 -5.247 -3.136 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -3.384 -5.136 -4.665 1.00 1.00 H new ATOM 0 HG LEU A 98 -1.746 -3.562 -3.430 1.00 1.18 H new ATOM 0 HD11 LEU A 98 -1.557 -3.946 -1.009 1.00 0.92 H new ATOM 0 HD12 LEU A 98 -3.092 -3.157 -1.444 1.00 0.92 H new ATOM 0 HD13 LEU A 98 -3.065 -4.892 -1.047 1.00 0.92 H new ATOM 0 HD21 LEU A 98 -0.426 -5.470 -2.618 1.00 2.26 H new ATOM 0 HD22 LEU A 98 -1.859 -6.516 -2.760 1.00 2.26 H new ATOM 0 HD23 LEU A 98 -1.144 -5.784 -4.216 1.00 2.26 H new ATOM 1490 N SER A 99 -3.945 -1.208 -5.142 1.00 0.66 N ATOM 1491 CA SER A 99 -3.545 -0.330 -6.228 1.00 0.67 C ATOM 1492 C SER A 99 -2.263 0.417 -5.853 1.00 0.68 C ATOM 1493 O SER A 99 -2.074 0.789 -4.696 1.00 0.86 O ATOM 1494 CB SER A 99 -4.656 0.664 -6.571 1.00 0.74 C ATOM 1495 OG SER A 99 -4.150 1.831 -7.214 1.00 1.60 O ATOM 0 H SER A 99 -4.379 -0.735 -4.349 1.00 0.66 H new ATOM 0 HA SER A 99 -3.357 -0.942 -7.110 1.00 0.67 H new ATOM 0 HB2 SER A 99 -5.387 0.181 -7.220 1.00 0.74 H new ATOM 0 HB3 SER A 99 -5.180 0.951 -5.659 1.00 0.74 H new ATOM 0 HG SER A 99 -3.894 2.492 -6.538 1.00 1.60 H new ATOM 1501 N MET A 100 -1.416 0.614 -6.852 1.00 0.70 N ATOM 1502 CA MET A 100 -0.130 1.252 -6.629 1.00 0.70 C ATOM 1503 C MET A 100 -0.221 2.762 -6.866 1.00 0.68 C ATOM 1504 O MET A 100 -1.045 3.222 -7.655 1.00 0.95 O ATOM 1505 CB MET A 100 0.911 0.649 -7.573 1.00 0.83 C ATOM 1506 CG MET A 100 1.412 -0.698 -7.047 1.00 1.30 C ATOM 1507 SD MET A 100 2.781 -1.270 -8.040 1.00 1.84 S ATOM 1508 CE MET A 100 3.981 -0.001 -7.673 1.00 1.35 C ATOM 0 H MET A 100 -1.595 0.343 -7.819 1.00 0.70 H new ATOM 0 HA MET A 100 0.165 1.081 -5.594 1.00 0.70 H new ATOM 0 HB2 MET A 100 0.476 0.518 -8.564 1.00 0.83 H new ATOM 0 HB3 MET A 100 1.750 1.336 -7.682 1.00 0.83 H new ATOM 0 HG2 MET A 100 1.723 -0.599 -6.007 1.00 1.30 H new ATOM 0 HG3 MET A 100 0.605 -1.430 -7.070 1.00 1.30 H new ATOM 0 HE1 MET A 100 4.966 -0.453 -7.561 1.00 1.35 H new ATOM 0 HE2 MET A 100 4.005 0.724 -8.487 1.00 1.35 H new ATOM 0 HE3 MET A 100 3.706 0.503 -6.746 1.00 1.35 H new ATOM 1518 N ALA A 101 0.639 3.490 -6.169 1.00 0.63 N ATOM 1519 CA ALA A 101 0.641 4.940 -6.265 1.00 0.66 C ATOM 1520 C ALA A 101 1.405 5.362 -7.523 1.00 1.05 C ATOM 1521 O ALA A 101 0.814 5.512 -8.591 1.00 2.82 O ATOM 1522 CB ALA A 101 1.243 5.536 -4.990 1.00 0.77 C ATOM 0 H ALA A 101 1.339 3.103 -5.536 1.00 0.63 H new ATOM 0 HA ALA A 101 -0.377 5.320 -6.353 1.00 0.66 H new ATOM 0 HB1 ALA A 101 1.244 6.624 -5.062 1.00 0.77 H new ATOM 0 HB2 ALA A 101 0.648 5.230 -4.129 1.00 0.77 H new ATOM 0 HB3 ALA A 101 2.266 5.179 -4.869 1.00 0.77 H new ATOM 1528 N ASN A 102 2.707 5.541 -7.354 1.00 1.27 N ATOM 1529 CA ASN A 102 3.590 5.731 -8.492 1.00 1.32 C ATOM 1530 C ASN A 102 3.523 7.190 -8.945 1.00 1.28 C ATOM 1531 O ASN A 102 2.485 7.650 -9.419 1.00 1.38 O ATOM 1532 CB ASN A 102 3.169 4.849 -9.669 1.00 1.46 C ATOM 1533 CG ASN A 102 2.935 3.407 -9.218 1.00 2.87 C ATOM 1534 OD1 ASN A 102 3.291 3.005 -8.121 1.00 4.25 O ATOM 1535 ND2 ASN A 102 2.318 2.650 -10.121 1.00 3.26 N ATOM 0 H ASN A 102 3.172 5.558 -6.446 1.00 1.27 H new ATOM 0 HA ASN A 102 4.600 5.462 -8.184 1.00 1.32 H new ATOM 0 HB2 ASN A 102 2.258 5.246 -10.118 1.00 1.46 H new ATOM 0 HB3 ASN A 102 3.940 4.872 -10.439 1.00 1.46 H new ATOM 0 HD21 ASN A 102 2.116 1.672 -9.914 1.00 3.26 H new ATOM 0 HD22 ASN A 102 2.047 3.048 -11.020 1.00 3.26 H new ATOM 1542 N ALA A 103 4.643 7.879 -8.784 1.00 1.31 N ATOM 1543 CA ALA A 103 4.702 9.297 -9.097 1.00 1.31 C ATOM 1544 C ALA A 103 4.993 9.474 -10.588 1.00 1.27 C ATOM 1545 O ALA A 103 5.984 10.101 -10.961 1.00 1.62 O ATOM 1546 CB ALA A 103 5.754 9.971 -8.213 1.00 1.41 C ATOM 0 H ALA A 103 5.517 7.482 -8.441 1.00 1.31 H new ATOM 0 HA ALA A 103 3.745 9.776 -8.889 1.00 1.31 H new ATOM 0 HB1 ALA A 103 5.799 11.035 -8.447 1.00 1.41 H new ATOM 0 HB2 ALA A 103 5.485 9.841 -7.165 1.00 1.41 H new ATOM 0 HB3 ALA A 103 6.728 9.518 -8.397 1.00 1.41 H new ATOM 1552 N GLY A 104 4.111 8.913 -11.402 1.00 1.13 N ATOM 1553 CA GLY A 104 4.261 9.001 -12.845 1.00 1.25 C ATOM 1554 C GLY A 104 4.774 7.681 -13.424 1.00 1.08 C ATOM 1555 O GLY A 104 4.710 6.644 -12.766 1.00 1.04 O ATOM 0 H GLY A 104 3.289 8.395 -11.090 1.00 1.13 H new ATOM 0 HA2 GLY A 104 3.303 9.254 -13.299 1.00 1.25 H new ATOM 0 HA3 GLY A 104 4.954 9.805 -13.094 1.00 1.25 H new ATOM 1559 N PRO A 105 5.284 7.764 -14.682 1.00 1.13 N ATOM 1560 CA PRO A 105 5.783 6.585 -15.367 1.00 1.14 C ATOM 1561 C PRO A 105 7.143 6.161 -14.807 1.00 1.08 C ATOM 1562 O PRO A 105 7.985 7.005 -14.506 1.00 1.20 O ATOM 1563 CB PRO A 105 5.842 6.977 -16.835 1.00 1.35 C ATOM 1564 CG PRO A 105 5.817 8.497 -16.861 1.00 1.42 C ATOM 1565 CD PRO A 105 5.397 8.981 -15.483 1.00 1.30 C ATOM 0 HA PRO A 105 5.142 5.715 -15.227 1.00 1.14 H new ATOM 0 HB2 PRO A 105 6.747 6.593 -17.306 1.00 1.35 H new ATOM 0 HB3 PRO A 105 4.997 6.563 -17.384 1.00 1.35 H new ATOM 0 HG2 PRO A 105 6.800 8.890 -17.120 1.00 1.42 H new ATOM 0 HG3 PRO A 105 5.120 8.854 -17.620 1.00 1.42 H new ATOM 0 HD2 PRO A 105 6.134 9.665 -15.062 1.00 1.30 H new ATOM 0 HD3 PRO A 105 4.449 9.518 -15.524 1.00 1.30 H new ATOM 1573 N ASN A 106 7.315 4.853 -14.686 1.00 1.11 N ATOM 1574 CA ASN A 106 8.608 4.299 -14.320 1.00 1.19 C ATOM 1575 C ASN A 106 9.000 4.803 -12.931 1.00 1.04 C ATOM 1576 O ASN A 106 10.154 5.160 -12.698 1.00 1.16 O ATOM 1577 CB ASN A 106 9.693 4.737 -15.306 1.00 1.48 C ATOM 1578 CG ASN A 106 10.941 3.862 -15.173 1.00 2.86 C ATOM 1579 OD1 ASN A 106 11.150 3.182 -14.181 1.00 4.09 O ATOM 1580 ND2 ASN A 106 11.755 3.919 -16.222 1.00 3.53 N ATOM 0 H ASN A 106 6.581 4.161 -14.835 1.00 1.11 H new ATOM 0 HA ASN A 106 8.525 3.212 -14.334 1.00 1.19 H new ATOM 0 HB2 ASN A 106 9.309 4.677 -16.324 1.00 1.48 H new ATOM 0 HB3 ASN A 106 9.955 5.780 -15.125 1.00 1.48 H new ATOM 0 HD21 ASN A 106 12.616 3.372 -16.230 1.00 3.53 H new ATOM 0 HD22 ASN A 106 11.519 4.509 -17.019 1.00 3.53 H new ATOM 1587 N THR A 107 8.018 4.817 -12.041 1.00 1.10 N ATOM 1588 CA THR A 107 8.296 4.886 -10.618 1.00 1.49 C ATOM 1589 C THR A 107 7.542 3.784 -9.872 1.00 1.83 C ATOM 1590 O THR A 107 7.411 3.835 -8.650 1.00 2.44 O ATOM 1591 CB THR A 107 7.947 6.296 -10.135 1.00 1.75 C ATOM 1592 OG1 THR A 107 6.624 6.168 -9.621 1.00 3.44 O ATOM 1593 CG2 THR A 107 7.805 7.291 -11.288 1.00 1.70 C ATOM 0 H THR A 107 7.027 4.782 -12.280 1.00 1.10 H new ATOM 0 HA THR A 107 9.352 4.709 -10.413 1.00 1.49 H new ATOM 0 HB THR A 107 8.717 6.646 -9.447 1.00 1.75 H new ATOM 0 HG1 THR A 107 6.664 5.952 -8.666 1.00 3.44 H new ATOM 0 HG21 THR A 107 7.557 8.275 -10.891 1.00 1.70 H new ATOM 0 HG22 THR A 107 8.745 7.348 -11.838 1.00 1.70 H new ATOM 0 HG23 THR A 107 7.012 6.960 -11.959 1.00 1.70 H new ATOM 1601 N ASN A 108 7.067 2.813 -10.638 1.00 1.93 N ATOM 1602 CA ASN A 108 6.292 1.723 -10.071 1.00 2.53 C ATOM 1603 C ASN A 108 7.242 0.698 -9.449 1.00 2.92 C ATOM 1604 O ASN A 108 7.942 -0.018 -10.163 1.00 3.26 O ATOM 1605 CB ASN A 108 5.469 1.014 -11.148 1.00 2.87 C ATOM 1606 CG ASN A 108 4.833 -0.265 -10.599 1.00 3.59 C ATOM 1607 OD1 ASN A 108 5.426 -1.002 -9.828 1.00 4.37 O ATOM 1608 ND2 ASN A 108 3.598 -0.487 -11.038 1.00 4.53 N ATOM 0 H ASN A 108 7.204 2.759 -11.647 1.00 1.93 H new ATOM 0 HA ASN A 108 5.620 2.141 -9.321 1.00 2.53 H new ATOM 0 HB2 ASN A 108 4.691 1.683 -11.515 1.00 2.87 H new ATOM 0 HB3 ASN A 108 6.107 0.771 -11.998 1.00 2.87 H new ATOM 0 HD21 ASN A 108 3.088 -1.315 -10.730 1.00 4.53 H new ATOM 0 HD22 ASN A 108 3.160 0.171 -11.683 1.00 4.53 H new ATOM 1615 N GLY A 109 7.236 0.660 -8.125 1.00 3.03 N ATOM 1616 CA GLY A 109 8.097 -0.257 -7.398 1.00 3.47 C ATOM 1617 C GLY A 109 8.331 0.228 -5.966 1.00 2.23 C ATOM 1618 O GLY A 109 9.451 0.585 -5.604 1.00 2.59 O ATOM 0 H GLY A 109 6.648 1.250 -7.536 1.00 3.03 H new ATOM 0 HA2 GLY A 109 7.645 -1.249 -7.380 1.00 3.47 H new ATOM 0 HA3 GLY A 109 9.052 -0.351 -7.914 1.00 3.47 H new ATOM 1622 N SER A 110 7.258 0.227 -5.192 1.00 1.96 N ATOM 1623 CA SER A 110 7.344 0.604 -3.791 1.00 1.36 C ATOM 1624 C SER A 110 6.069 0.186 -3.056 1.00 1.75 C ATOM 1625 O SER A 110 5.941 -0.962 -2.631 1.00 2.90 O ATOM 1626 CB SER A 110 7.577 2.108 -3.639 1.00 2.59 C ATOM 1627 OG SER A 110 6.574 2.872 -4.304 1.00 4.33 O ATOM 0 H SER A 110 6.323 -0.029 -5.508 1.00 1.96 H new ATOM 0 HA SER A 110 8.195 0.086 -3.349 1.00 1.36 H new ATOM 0 HB2 SER A 110 7.589 2.368 -2.581 1.00 2.59 H new ATOM 0 HB3 SER A 110 8.556 2.366 -4.042 1.00 2.59 H new ATOM 0 HG SER A 110 6.756 3.827 -4.183 1.00 4.33 H new ATOM 1633 N GLN A 111 5.159 1.141 -2.928 1.00 1.56 N ATOM 1634 CA GLN A 111 4.061 1.005 -1.985 1.00 2.14 C ATOM 1635 C GLN A 111 2.720 1.114 -2.714 1.00 1.68 C ATOM 1636 O GLN A 111 2.653 1.646 -3.821 1.00 1.88 O ATOM 1637 CB GLN A 111 4.165 2.048 -0.871 1.00 2.75 C ATOM 1638 CG GLN A 111 4.578 1.397 0.452 1.00 4.53 C ATOM 1639 CD GLN A 111 5.978 0.788 0.348 1.00 5.72 C ATOM 1640 OE1 GLN A 111 6.770 1.130 -0.514 1.00 5.74 O ATOM 1641 NE2 GLN A 111 6.237 -0.130 1.275 1.00 7.29 N ATOM 0 H GLN A 111 5.159 2.011 -3.461 1.00 1.56 H new ATOM 0 HA GLN A 111 4.123 0.020 -1.523 1.00 2.14 H new ATOM 0 HB2 GLN A 111 4.893 2.810 -1.148 1.00 2.75 H new ATOM 0 HB3 GLN A 111 3.206 2.552 -0.749 1.00 2.75 H new ATOM 0 HG2 GLN A 111 4.559 2.140 1.249 1.00 4.53 H new ATOM 0 HG3 GLN A 111 3.859 0.623 0.721 1.00 4.53 H new ATOM 0 HE21 GLN A 111 5.528 -0.369 1.968 1.00 7.29 H new ATOM 0 HE22 GLN A 111 7.145 -0.595 1.293 1.00 7.29 H new ATOM 1650 N PHE A 112 1.686 0.600 -2.065 1.00 1.53 N ATOM 1651 CA PHE A 112 0.324 0.865 -2.497 1.00 1.11 C ATOM 1652 C PHE A 112 -0.432 1.690 -1.453 1.00 0.84 C ATOM 1653 O PHE A 112 0.026 1.835 -0.321 1.00 1.28 O ATOM 1654 CB PHE A 112 -0.366 -0.493 -2.655 1.00 1.75 C ATOM 1655 CG PHE A 112 -0.006 -1.504 -1.565 1.00 2.25 C ATOM 1656 CD1 PHE A 112 -0.347 -1.261 -0.271 1.00 2.92 C ATOM 1657 CD2 PHE A 112 0.657 -2.647 -1.890 1.00 3.31 C ATOM 1658 CE1 PHE A 112 -0.013 -2.201 0.740 1.00 3.42 C ATOM 1659 CE2 PHE A 112 0.991 -3.585 -0.878 1.00 3.99 C ATOM 1660 CZ PHE A 112 0.650 -3.342 0.415 1.00 3.61 C ATOM 0 H PHE A 112 1.764 0.001 -1.243 1.00 1.53 H new ATOM 0 HA PHE A 112 0.332 1.429 -3.430 1.00 1.11 H new ATOM 0 HB2 PHE A 112 -1.446 -0.343 -2.655 1.00 1.75 H new ATOM 0 HB3 PHE A 112 -0.103 -0.912 -3.626 1.00 1.75 H new ATOM 0 HD1 PHE A 112 -0.872 -0.353 -0.012 1.00 2.92 H new ATOM 0 HD2 PHE A 112 0.929 -2.840 -2.917 1.00 3.31 H new ATOM 0 HE1 PHE A 112 -0.286 -2.009 1.767 1.00 3.42 H new ATOM 0 HE2 PHE A 112 1.517 -4.493 -1.136 1.00 3.99 H new ATOM 0 HZ PHE A 112 0.906 -4.056 1.184 1.00 3.61 H new ATOM 1670 N PHE A 113 -1.576 2.208 -1.872 1.00 0.85 N ATOM 1671 CA PHE A 113 -2.393 3.028 -0.993 1.00 1.08 C ATOM 1672 C PHE A 113 -3.737 2.354 -0.706 1.00 1.35 C ATOM 1673 O PHE A 113 -4.398 2.676 0.280 1.00 3.31 O ATOM 1674 CB PHE A 113 -2.643 4.351 -1.720 1.00 1.34 C ATOM 1675 CG PHE A 113 -3.417 4.203 -3.032 1.00 1.88 C ATOM 1676 CD1 PHE A 113 -4.777 4.200 -3.022 1.00 3.21 C ATOM 1677 CD2 PHE A 113 -2.744 4.073 -4.207 1.00 2.87 C ATOM 1678 CE1 PHE A 113 -5.495 4.062 -4.241 1.00 4.86 C ATOM 1679 CE2 PHE A 113 -3.462 3.935 -5.425 1.00 4.68 C ATOM 1680 CZ PHE A 113 -4.822 3.933 -5.416 1.00 5.47 C ATOM 0 H PHE A 113 -1.957 2.076 -2.809 1.00 0.85 H new ATOM 0 HA PHE A 113 -1.882 3.177 -0.042 1.00 1.08 H new ATOM 0 HB2 PHE A 113 -3.194 5.019 -1.058 1.00 1.34 H new ATOM 0 HB3 PHE A 113 -1.684 4.827 -1.927 1.00 1.34 H new ATOM 0 HD1 PHE A 113 -5.311 4.302 -2.089 1.00 3.21 H new ATOM 0 HD2 PHE A 113 -1.664 4.075 -4.214 1.00 2.87 H new ATOM 0 HE1 PHE A 113 -6.575 4.060 -4.234 1.00 4.86 H new ATOM 0 HE2 PHE A 113 -2.928 3.832 -6.358 1.00 4.68 H new ATOM 0 HZ PHE A 113 -5.368 3.829 -6.342 1.00 5.47 H new ATOM 1690 N ILE A 114 -4.100 1.431 -1.585 1.00 1.26 N ATOM 1691 CA ILE A 114 -5.310 0.651 -1.394 1.00 1.08 C ATOM 1692 C ILE A 114 -6.525 1.580 -1.452 1.00 0.90 C ATOM 1693 O ILE A 114 -6.713 2.419 -0.572 1.00 1.06 O ATOM 1694 CB ILE A 114 -5.223 -0.166 -0.104 1.00 1.16 C ATOM 1695 CG1 ILE A 114 -3.965 -1.037 -0.091 1.00 1.41 C ATOM 1696 CG2 ILE A 114 -6.493 -0.992 0.109 1.00 1.09 C ATOM 1697 CD1 ILE A 114 -3.458 -1.248 1.337 1.00 1.51 C ATOM 0 H ILE A 114 -3.577 1.206 -2.431 1.00 1.26 H new ATOM 0 HA ILE A 114 -5.425 -0.076 -2.198 1.00 1.08 H new ATOM 0 HB ILE A 114 -5.145 0.527 0.734 1.00 1.16 H new ATOM 0 HG12 ILE A 114 -4.182 -2.002 -0.550 1.00 1.41 H new ATOM 0 HG13 ILE A 114 -3.186 -0.566 -0.691 1.00 1.41 H new ATOM 0 HG21 ILE A 114 -6.405 -1.563 1.033 1.00 1.09 H new ATOM 0 HG22 ILE A 114 -7.353 -0.326 0.175 1.00 1.09 H new ATOM 0 HG23 ILE A 114 -6.627 -1.676 -0.729 1.00 1.09 H new ATOM 0 HD11 ILE A 114 -2.563 -1.870 1.317 1.00 1.51 H new ATOM 0 HD12 ILE A 114 -3.219 -0.283 1.785 1.00 1.51 H new ATOM 0 HD13 ILE A 114 -4.230 -1.741 1.928 1.00 1.51 H new ATOM 1709 N CYS A 115 -7.318 1.399 -2.497 1.00 0.89 N ATOM 1710 CA CYS A 115 -8.571 2.125 -2.620 1.00 0.72 C ATOM 1711 C CYS A 115 -9.632 1.395 -1.794 1.00 0.64 C ATOM 1712 O CYS A 115 -9.827 0.191 -1.953 1.00 0.86 O ATOM 1713 CB CYS A 115 -8.994 2.281 -4.082 1.00 0.93 C ATOM 1714 SG CYS A 115 -9.438 0.648 -4.782 1.00 2.32 S ATOM 0 H CYS A 115 -7.118 0.760 -3.267 1.00 0.89 H new ATOM 0 HA CYS A 115 -8.446 3.138 -2.237 1.00 0.72 H new ATOM 0 HB2 CYS A 115 -9.844 2.960 -4.153 1.00 0.93 H new ATOM 0 HB3 CYS A 115 -8.183 2.725 -4.659 1.00 0.93 H new ATOM 0 HG CYS A 115 -10.728 0.495 -4.741 1.00 2.32 H new ATOM 1720 N THR A 116 -10.289 2.154 -0.929 1.00 0.49 N ATOM 1721 CA THR A 116 -11.342 1.600 -0.096 1.00 0.54 C ATOM 1722 C THR A 116 -12.687 2.243 -0.439 1.00 0.47 C ATOM 1723 O THR A 116 -13.519 2.458 0.442 1.00 0.65 O ATOM 1724 CB THR A 116 -10.934 1.785 1.368 1.00 0.76 C ATOM 1725 OG1 THR A 116 -9.583 1.336 1.411 1.00 1.50 O ATOM 1726 CG2 THR A 116 -11.675 0.832 2.307 1.00 1.17 C ATOM 0 H THR A 116 -10.112 3.148 -0.787 1.00 0.49 H new ATOM 0 HA THR A 116 -11.472 0.533 -0.279 1.00 0.54 H new ATOM 0 HB THR A 116 -11.126 2.814 1.671 1.00 0.76 H new ATOM 0 HG1 THR A 116 -9.238 1.423 2.324 1.00 1.50 H new ATOM 0 HG21 THR A 116 -11.349 1.005 3.333 1.00 1.17 H new ATOM 0 HG22 THR A 116 -12.748 1.009 2.233 1.00 1.17 H new ATOM 0 HG23 THR A 116 -11.457 -0.198 2.026 1.00 1.17 H new ATOM 1734 N ALA A 117 -12.859 2.532 -1.720 1.00 0.44 N ATOM 1735 CA ALA A 117 -14.115 3.083 -2.201 1.00 0.56 C ATOM 1736 C ALA A 117 -14.067 3.194 -3.726 1.00 0.68 C ATOM 1737 O ALA A 117 -13.015 2.999 -4.334 1.00 0.75 O ATOM 1738 CB ALA A 117 -14.373 4.431 -1.526 1.00 0.72 C ATOM 0 H ALA A 117 -12.150 2.395 -2.440 1.00 0.44 H new ATOM 0 HA ALA A 117 -14.946 2.426 -1.944 1.00 0.56 H new ATOM 0 HB1 ALA A 117 -15.315 4.844 -1.887 1.00 0.72 H new ATOM 0 HB2 ALA A 117 -14.427 4.293 -0.446 1.00 0.72 H new ATOM 0 HB3 ALA A 117 -13.561 5.118 -1.763 1.00 0.72 H new ATOM 1744 N LYS A 118 -15.219 3.507 -4.301 1.00 0.85 N ATOM 1745 CA LYS A 118 -15.321 3.650 -5.744 1.00 1.05 C ATOM 1746 C LYS A 118 -14.472 4.841 -6.195 1.00 1.04 C ATOM 1747 O LYS A 118 -14.929 5.982 -6.159 1.00 1.26 O ATOM 1748 CB LYS A 118 -16.788 3.743 -6.170 1.00 1.34 C ATOM 1749 CG LYS A 118 -16.929 3.586 -7.685 1.00 1.62 C ATOM 1750 CD LYS A 118 -17.169 2.123 -8.064 1.00 1.73 C ATOM 1751 CE LYS A 118 -17.140 1.939 -9.583 1.00 2.09 C ATOM 1752 NZ LYS A 118 -15.756 1.695 -10.050 1.00 3.18 N ATOM 0 H LYS A 118 -16.090 3.666 -3.794 1.00 0.85 H new ATOM 0 HA LYS A 118 -14.923 2.767 -6.244 1.00 1.05 H new ATOM 0 HB2 LYS A 118 -17.367 2.970 -5.665 1.00 1.34 H new ATOM 0 HB3 LYS A 118 -17.200 4.703 -5.860 1.00 1.34 H new ATOM 0 HG2 LYS A 118 -17.757 4.199 -8.042 1.00 1.62 H new ATOM 0 HG3 LYS A 118 -16.027 3.950 -8.178 1.00 1.62 H new ATOM 0 HD2 LYS A 118 -16.407 1.494 -7.603 1.00 1.73 H new ATOM 0 HD3 LYS A 118 -18.132 1.795 -7.673 1.00 1.73 H new ATOM 0 HE2 LYS A 118 -17.778 1.102 -9.866 1.00 2.09 H new ATOM 0 HE3 LYS A 118 -17.543 2.827 -10.070 1.00 2.09 H new ATOM 0 HZ1 LYS A 118 -15.673 1.971 -11.049 1.00 3.18 H new ATOM 0 HZ2 LYS A 118 -15.093 2.258 -9.480 1.00 3.18 H new ATOM 0 HZ3 LYS A 118 -15.529 0.685 -9.949 1.00 3.18 H new ATOM 1766 N THR A 119 -13.252 4.533 -6.609 1.00 0.97 N ATOM 1767 CA THR A 119 -12.338 5.563 -7.074 1.00 1.00 C ATOM 1768 C THR A 119 -11.654 5.121 -8.370 1.00 0.92 C ATOM 1769 O THR A 119 -10.532 4.620 -8.345 1.00 1.28 O ATOM 1770 CB THR A 119 -11.355 5.869 -5.944 1.00 1.49 C ATOM 1771 OG1 THR A 119 -10.888 4.588 -5.532 1.00 1.74 O ATOM 1772 CG2 THR A 119 -12.049 6.429 -4.701 1.00 1.80 C ATOM 0 H THR A 119 -12.875 3.586 -6.632 1.00 0.97 H new ATOM 0 HA THR A 119 -12.870 6.482 -7.319 1.00 1.00 H new ATOM 0 HB THR A 119 -10.609 6.581 -6.296 1.00 1.49 H new ATOM 0 HG1 THR A 119 -10.509 4.115 -6.302 1.00 1.74 H new ATOM 0 HG21 THR A 119 -11.306 6.629 -3.929 1.00 1.80 H new ATOM 0 HG22 THR A 119 -12.564 7.355 -4.958 1.00 1.80 H new ATOM 0 HG23 THR A 119 -12.772 5.703 -4.330 1.00 1.80 H new ATOM 1780 N GLU A 120 -12.361 5.325 -9.474 1.00 0.71 N ATOM 1781 CA GLU A 120 -11.916 4.800 -10.753 1.00 1.03 C ATOM 1782 C GLU A 120 -11.380 5.931 -11.634 1.00 0.75 C ATOM 1783 O GLU A 120 -11.279 5.780 -12.850 1.00 0.75 O ATOM 1784 CB GLU A 120 -13.046 4.045 -11.458 1.00 1.62 C ATOM 1785 CG GLU A 120 -14.288 4.927 -11.604 1.00 1.74 C ATOM 1786 CD GLU A 120 -15.316 4.278 -12.532 1.00 2.23 C ATOM 1787 OE1 GLU A 120 -15.784 3.174 -12.178 1.00 3.23 O ATOM 1788 OE2 GLU A 120 -15.610 4.900 -13.576 1.00 2.75 O ATOM 0 H GLU A 120 -13.237 5.846 -9.508 1.00 0.71 H new ATOM 0 HA GLU A 120 -11.107 4.092 -10.572 1.00 1.03 H new ATOM 0 HB2 GLU A 120 -12.711 3.717 -12.442 1.00 1.62 H new ATOM 0 HB3 GLU A 120 -13.297 3.148 -10.892 1.00 1.62 H new ATOM 0 HG2 GLU A 120 -14.734 5.098 -10.624 1.00 1.74 H new ATOM 0 HG3 GLU A 120 -14.002 5.902 -11.998 1.00 1.74 H new ATOM 1795 N TRP A 121 -11.050 7.037 -10.984 1.00 0.70 N ATOM 1796 CA TRP A 121 -10.327 8.108 -11.650 1.00 0.70 C ATOM 1797 C TRP A 121 -8.831 7.809 -11.534 1.00 0.61 C ATOM 1798 O TRP A 121 -8.012 8.470 -12.171 1.00 0.69 O ATOM 1799 CB TRP A 121 -10.712 9.471 -11.071 1.00 0.76 C ATOM 1800 CG TRP A 121 -10.201 9.710 -9.649 1.00 0.70 C ATOM 1801 CD1 TRP A 121 -8.955 10.015 -9.260 1.00 0.75 C ATOM 1802 CD2 TRP A 121 -10.979 9.653 -8.435 1.00 0.69 C ATOM 1803 NE1 TRP A 121 -8.874 10.156 -7.889 1.00 0.71 N ATOM 1804 CE2 TRP A 121 -10.144 9.929 -7.373 1.00 0.66 C ATOM 1805 CE3 TRP A 121 -12.344 9.376 -8.242 1.00 0.82 C ATOM 1806 CZ2 TRP A 121 -10.579 9.956 -6.041 1.00 0.71 C ATOM 1807 CZ3 TRP A 121 -12.764 9.407 -6.907 1.00 0.93 C ATOM 1808 CH2 TRP A 121 -11.935 9.684 -5.825 1.00 0.86 C ATOM 0 H TRP A 121 -11.269 7.215 -10.004 1.00 0.70 H new ATOM 0 HA TRP A 121 -10.592 8.156 -12.706 1.00 0.70 H new ATOM 0 HB2 TRP A 121 -10.323 10.254 -11.722 1.00 0.76 H new ATOM 0 HB3 TRP A 121 -11.798 9.563 -11.076 1.00 0.76 H new ATOM 0 HD1 TRP A 121 -8.120 10.135 -9.934 1.00 0.75 H new ATOM 0 HE1 TRP A 121 -8.036 10.385 -7.354 1.00 0.71 H new ATOM 0 HE3 TRP A 121 -13.015 9.157 -9.059 1.00 0.82 H new ATOM 0 HZ2 TRP A 121 -9.905 10.175 -5.226 1.00 0.71 H new ATOM 0 HZ3 TRP A 121 -13.804 9.201 -6.703 1.00 0.93 H new ATOM 0 HH2 TRP A 121 -12.336 9.689 -4.822 1.00 0.86 H new ATOM 1819 N LEU A 122 -8.520 6.814 -10.718 1.00 0.60 N ATOM 1820 CA LEU A 122 -7.147 6.355 -10.587 1.00 0.59 C ATOM 1821 C LEU A 122 -6.931 5.141 -11.492 1.00 0.63 C ATOM 1822 O LEU A 122 -5.815 4.636 -11.604 1.00 0.81 O ATOM 1823 CB LEU A 122 -6.808 6.095 -9.117 1.00 0.59 C ATOM 1824 CG LEU A 122 -7.062 7.256 -8.154 1.00 0.65 C ATOM 1825 CD1 LEU A 122 -7.266 6.749 -6.725 1.00 0.76 C ATOM 1826 CD2 LEU A 122 -5.941 8.294 -8.240 1.00 0.97 C ATOM 0 H LEU A 122 -9.195 6.312 -10.140 1.00 0.60 H new ATOM 0 HA LEU A 122 -6.453 7.127 -10.919 1.00 0.59 H new ATOM 0 HB2 LEU A 122 -7.386 5.235 -8.778 1.00 0.59 H new ATOM 0 HB3 LEU A 122 -5.756 5.818 -9.051 1.00 0.59 H new ATOM 0 HG LEU A 122 -7.985 7.753 -8.453 1.00 0.65 H new ATOM 0 HD11 LEU A 122 -7.445 7.595 -6.061 1.00 0.76 H new ATOM 0 HD12 LEU A 122 -8.124 6.077 -6.696 1.00 0.76 H new ATOM 0 HD13 LEU A 122 -6.375 6.213 -6.398 1.00 0.76 H new ATOM 0 HD21 LEU A 122 -6.146 9.109 -7.546 1.00 0.97 H new ATOM 0 HD22 LEU A 122 -4.991 7.826 -7.981 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -5.886 8.687 -9.255 1.00 0.97 H new ATOM 1838 N ASP A 123 -8.017 4.707 -12.116 1.00 0.60 N ATOM 1839 CA ASP A 123 -8.032 3.416 -12.781 1.00 0.67 C ATOM 1840 C ASP A 123 -6.971 3.403 -13.883 1.00 0.89 C ATOM 1841 O ASP A 123 -6.081 2.553 -13.883 1.00 2.05 O ATOM 1842 CB ASP A 123 -9.391 3.146 -13.430 1.00 0.67 C ATOM 1843 CG ASP A 123 -9.509 1.799 -14.146 1.00 0.78 C ATOM 1844 OD1 ASP A 123 -9.899 0.826 -13.465 1.00 1.67 O ATOM 1845 OD2 ASP A 123 -9.209 1.775 -15.360 1.00 1.74 O ATOM 0 H ASP A 123 -8.892 5.227 -12.175 1.00 0.60 H new ATOM 0 HA ASP A 123 -7.831 2.649 -12.033 1.00 0.67 H new ATOM 0 HB2 ASP A 123 -10.161 3.200 -12.661 1.00 0.67 H new ATOM 0 HB3 ASP A 123 -9.599 3.941 -14.146 1.00 0.67 H new ATOM 1850 N GLY A 124 -7.100 4.354 -14.796 1.00 1.38 N ATOM 1851 CA GLY A 124 -6.300 4.341 -16.010 1.00 1.47 C ATOM 1852 C GLY A 124 -4.877 4.827 -15.733 1.00 1.33 C ATOM 1853 O GLY A 124 -3.989 4.665 -16.568 1.00 1.81 O ATOM 0 H GLY A 124 -7.747 5.139 -14.720 1.00 1.38 H new ATOM 0 HA2 GLY A 124 -6.270 3.331 -16.419 1.00 1.47 H new ATOM 0 HA3 GLY A 124 -6.765 4.977 -16.763 1.00 1.47 H new ATOM 1857 N LYS A 125 -4.704 5.415 -14.559 1.00 1.34 N ATOM 1858 CA LYS A 125 -3.443 6.051 -14.218 1.00 1.24 C ATOM 1859 C LYS A 125 -2.600 5.087 -13.381 1.00 1.10 C ATOM 1860 O LYS A 125 -1.378 5.047 -13.518 1.00 1.27 O ATOM 1861 CB LYS A 125 -3.689 7.401 -13.540 1.00 1.27 C ATOM 1862 CG LYS A 125 -3.832 8.517 -14.576 1.00 2.03 C ATOM 1863 CD LYS A 125 -5.147 8.384 -15.348 1.00 3.56 C ATOM 1864 CE LYS A 125 -5.458 9.664 -16.126 1.00 4.64 C ATOM 1865 NZ LYS A 125 -4.449 9.883 -17.187 1.00 5.69 N ATOM 0 H LYS A 125 -5.417 5.464 -13.831 1.00 1.34 H new ATOM 0 HA LYS A 125 -2.873 6.273 -15.120 1.00 1.24 H new ATOM 0 HB2 LYS A 125 -4.592 7.347 -12.931 1.00 1.27 H new ATOM 0 HB3 LYS A 125 -2.863 7.629 -12.866 1.00 1.27 H new ATOM 0 HG2 LYS A 125 -3.794 9.486 -14.079 1.00 2.03 H new ATOM 0 HG3 LYS A 125 -2.993 8.482 -15.271 1.00 2.03 H new ATOM 0 HD2 LYS A 125 -5.085 7.542 -16.037 1.00 3.56 H new ATOM 0 HD3 LYS A 125 -5.960 8.169 -14.654 1.00 3.56 H new ATOM 0 HE2 LYS A 125 -6.451 9.595 -16.569 1.00 4.64 H new ATOM 0 HE3 LYS A 125 -5.471 10.516 -15.446 1.00 4.64 H new ATOM 0 HZ1 LYS A 125 -4.729 10.697 -17.770 1.00 5.69 H new ATOM 0 HZ2 LYS A 125 -3.523 10.071 -16.752 1.00 5.69 H new ATOM 0 HZ3 LYS A 125 -4.385 9.035 -17.785 1.00 5.69 H new ATOM 1879 N HIS A 126 -3.285 4.334 -12.535 1.00 0.94 N ATOM 1880 CA HIS A 126 -2.611 3.558 -11.508 1.00 0.93 C ATOM 1881 C HIS A 126 -2.718 2.067 -11.838 1.00 1.07 C ATOM 1882 O HIS A 126 -3.518 1.672 -12.684 1.00 1.94 O ATOM 1883 CB HIS A 126 -3.159 3.900 -10.121 1.00 0.86 C ATOM 1884 CG HIS A 126 -2.861 5.310 -9.672 1.00 0.91 C ATOM 1885 ND1 HIS A 126 -1.897 5.607 -8.725 1.00 1.11 N ATOM 1886 CD2 HIS A 126 -3.407 6.500 -10.053 1.00 2.20 C ATOM 1887 CE1 HIS A 126 -1.875 6.921 -8.550 1.00 0.86 C ATOM 1888 NE2 HIS A 126 -2.810 7.473 -9.374 1.00 1.72 N ATOM 0 H HIS A 126 -4.301 4.244 -12.539 1.00 0.94 H new ATOM 0 HA HIS A 126 -1.552 3.815 -11.489 1.00 0.93 H new ATOM 0 HB2 HIS A 126 -4.239 3.751 -10.122 1.00 0.86 H new ATOM 0 HB3 HIS A 126 -2.741 3.203 -9.395 1.00 0.86 H new ATOM 0 HD1 HIS A 126 -1.304 4.931 -8.244 1.00 1.11 H new ATOM 0 HD2 HIS A 126 -4.192 6.629 -10.783 1.00 2.20 H new ATOM 0 HE1 HIS A 126 -1.229 7.460 -7.873 1.00 0.86 H new ATOM 1896 N VAL A 127 -1.902 1.282 -11.151 1.00 0.73 N ATOM 1897 CA VAL A 127 -1.804 -0.137 -11.447 1.00 0.74 C ATOM 1898 C VAL A 127 -2.459 -0.935 -10.317 1.00 0.70 C ATOM 1899 O VAL A 127 -2.480 -0.491 -9.170 1.00 0.93 O ATOM 1900 CB VAL A 127 -0.343 -0.524 -11.683 1.00 0.86 C ATOM 1901 CG1 VAL A 127 -0.199 -2.035 -11.870 1.00 1.02 C ATOM 1902 CG2 VAL A 127 0.238 0.234 -12.878 1.00 0.94 C ATOM 0 H VAL A 127 -1.302 1.602 -10.390 1.00 0.73 H new ATOM 0 HA VAL A 127 -2.340 -0.373 -12.366 1.00 0.74 H new ATOM 0 HB VAL A 127 0.226 -0.241 -10.797 1.00 0.86 H new ATOM 0 HG11 VAL A 127 0.849 -2.283 -12.036 1.00 1.02 H new ATOM 0 HG12 VAL A 127 -0.556 -2.548 -10.977 1.00 1.02 H new ATOM 0 HG13 VAL A 127 -0.788 -2.353 -12.731 1.00 1.02 H new ATOM 0 HG21 VAL A 127 1.278 -0.059 -13.024 1.00 0.94 H new ATOM 0 HG22 VAL A 127 -0.336 -0.004 -13.774 1.00 0.94 H new ATOM 0 HG23 VAL A 127 0.187 1.306 -12.689 1.00 0.94 H new ATOM 1912 N VAL A 128 -2.977 -2.098 -10.681 1.00 0.52 N ATOM 1913 CA VAL A 128 -3.420 -3.064 -9.688 1.00 0.49 C ATOM 1914 C VAL A 128 -2.720 -4.401 -9.936 1.00 0.57 C ATOM 1915 O VAL A 128 -2.657 -4.872 -11.071 1.00 0.68 O ATOM 1916 CB VAL A 128 -4.946 -3.175 -9.711 1.00 0.49 C ATOM 1917 CG1 VAL A 128 -5.455 -3.971 -8.508 1.00 0.61 C ATOM 1918 CG2 VAL A 128 -5.594 -1.790 -9.765 1.00 0.56 C ATOM 0 H VAL A 128 -3.100 -2.394 -11.649 1.00 0.52 H new ATOM 0 HA VAL A 128 -3.146 -2.735 -8.686 1.00 0.49 H new ATOM 0 HB VAL A 128 -5.230 -3.714 -10.615 1.00 0.49 H new ATOM 0 HG11 VAL A 128 -6.542 -4.035 -8.548 1.00 0.61 H new ATOM 0 HG12 VAL A 128 -5.031 -4.975 -8.530 1.00 0.61 H new ATOM 0 HG13 VAL A 128 -5.155 -3.471 -7.587 1.00 0.61 H new ATOM 0 HG21 VAL A 128 -6.679 -1.896 -9.781 1.00 0.56 H new ATOM 0 HG22 VAL A 128 -5.298 -1.215 -8.887 1.00 0.56 H new ATOM 0 HG23 VAL A 128 -5.267 -1.270 -10.666 1.00 0.56 H new ATOM 1928 N PHE A 129 -2.211 -4.975 -8.857 1.00 0.68 N ATOM 1929 CA PHE A 129 -1.441 -6.205 -8.954 1.00 0.80 C ATOM 1930 C PHE A 129 -1.729 -7.128 -7.769 1.00 0.91 C ATOM 1931 O PHE A 129 -0.939 -8.020 -7.468 1.00 1.17 O ATOM 1932 CB PHE A 129 0.037 -5.809 -8.931 1.00 0.86 C ATOM 1933 CG PHE A 129 0.562 -5.448 -7.540 1.00 1.37 C ATOM 1934 CD1 PHE A 129 0.204 -4.271 -6.961 1.00 2.28 C ATOM 1935 CD2 PHE A 129 1.389 -6.305 -6.882 1.00 2.73 C ATOM 1936 CE1 PHE A 129 0.691 -3.936 -5.672 1.00 3.01 C ATOM 1937 CE2 PHE A 129 1.877 -5.970 -5.592 1.00 3.55 C ATOM 1938 CZ PHE A 129 1.518 -4.793 -5.013 1.00 3.27 C ATOM 0 H PHE A 129 -2.316 -4.612 -7.910 1.00 0.68 H new ATOM 0 HA PHE A 129 -1.705 -6.739 -9.867 1.00 0.80 H new ATOM 0 HB2 PHE A 129 0.630 -6.632 -9.330 1.00 0.86 H new ATOM 0 HB3 PHE A 129 0.185 -4.958 -9.596 1.00 0.86 H new ATOM 0 HD1 PHE A 129 -0.452 -3.590 -7.483 1.00 2.28 H new ATOM 0 HD2 PHE A 129 1.674 -7.240 -7.341 1.00 2.73 H new ATOM 0 HE1 PHE A 129 0.406 -3.001 -5.213 1.00 3.01 H new ATOM 0 HE2 PHE A 129 2.534 -6.650 -5.070 1.00 3.55 H new ATOM 0 HZ PHE A 129 1.889 -4.538 -4.031 1.00 3.27 H new ATOM 1948 N GLY A 130 -2.862 -6.881 -7.129 1.00 0.80 N ATOM 1949 CA GLY A 130 -3.249 -7.658 -5.965 1.00 0.89 C ATOM 1950 C GLY A 130 -4.655 -7.279 -5.494 1.00 0.82 C ATOM 1951 O GLY A 130 -5.344 -6.501 -6.150 1.00 1.00 O ATOM 0 H GLY A 130 -3.525 -6.153 -7.395 1.00 0.80 H new ATOM 0 HA2 GLY A 130 -3.217 -8.721 -6.206 1.00 0.89 H new ATOM 0 HA3 GLY A 130 -2.535 -7.492 -5.159 1.00 0.89 H new ATOM 1955 N LYS A 131 -5.038 -7.848 -4.360 1.00 0.68 N ATOM 1956 CA LYS A 131 -6.362 -7.608 -3.813 1.00 0.69 C ATOM 1957 C LYS A 131 -6.325 -7.800 -2.295 1.00 0.65 C ATOM 1958 O LYS A 131 -5.458 -8.500 -1.776 1.00 0.85 O ATOM 1959 CB LYS A 131 -7.399 -8.485 -4.518 1.00 0.86 C ATOM 1960 CG LYS A 131 -8.813 -7.940 -4.308 1.00 1.31 C ATOM 1961 CD LYS A 131 -9.586 -8.793 -3.300 1.00 1.95 C ATOM 1962 CE LYS A 131 -10.685 -7.976 -2.618 1.00 3.39 C ATOM 1963 NZ LYS A 131 -11.491 -7.249 -3.625 1.00 4.23 N ATOM 0 H LYS A 131 -4.454 -8.474 -3.806 1.00 0.68 H new ATOM 0 HA LYS A 131 -6.669 -6.579 -3.997 1.00 0.69 H new ATOM 0 HB2 LYS A 131 -7.178 -8.530 -5.584 1.00 0.86 H new ATOM 0 HB3 LYS A 131 -7.338 -9.504 -4.136 1.00 0.86 H new ATOM 0 HG2 LYS A 131 -8.761 -6.910 -3.954 1.00 1.31 H new ATOM 0 HG3 LYS A 131 -9.345 -7.923 -5.259 1.00 1.31 H new ATOM 0 HD2 LYS A 131 -10.028 -9.651 -3.807 1.00 1.95 H new ATOM 0 HD3 LYS A 131 -8.900 -9.185 -2.549 1.00 1.95 H new ATOM 0 HE2 LYS A 131 -11.328 -8.636 -2.036 1.00 3.39 H new ATOM 0 HE3 LYS A 131 -10.239 -7.268 -1.920 1.00 3.39 H new ATOM 0 HZ1 LYS A 131 -12.449 -7.088 -3.253 1.00 4.23 H new ATOM 0 HZ2 LYS A 131 -11.043 -6.334 -3.834 1.00 4.23 H new ATOM 0 HZ3 LYS A 131 -11.549 -7.813 -4.497 1.00 4.23 H new ATOM 1977 N VAL A 132 -7.277 -7.165 -1.628 1.00 0.58 N ATOM 1978 CA VAL A 132 -7.391 -7.291 -0.185 1.00 0.60 C ATOM 1979 C VAL A 132 -8.212 -8.538 0.151 1.00 0.65 C ATOM 1980 O VAL A 132 -9.437 -8.473 0.235 1.00 0.94 O ATOM 1981 CB VAL A 132 -7.979 -6.009 0.407 1.00 0.69 C ATOM 1982 CG1 VAL A 132 -7.852 -6.001 1.933 1.00 1.01 C ATOM 1983 CG2 VAL A 132 -7.322 -4.770 -0.204 1.00 1.03 C ATOM 0 H VAL A 132 -7.977 -6.562 -2.060 1.00 0.58 H new ATOM 0 HA VAL A 132 -6.407 -7.419 0.266 1.00 0.60 H new ATOM 0 HB VAL A 132 -9.040 -5.982 0.158 1.00 0.69 H new ATOM 0 HG11 VAL A 132 -8.278 -5.079 2.329 1.00 1.01 H new ATOM 0 HG12 VAL A 132 -8.388 -6.855 2.347 1.00 1.01 H new ATOM 0 HG13 VAL A 132 -6.800 -6.064 2.211 1.00 1.01 H new ATOM 0 HG21 VAL A 132 -7.759 -3.873 0.235 1.00 1.03 H new ATOM 0 HG22 VAL A 132 -6.251 -4.789 -0.001 1.00 1.03 H new ATOM 0 HG23 VAL A 132 -7.487 -4.764 -1.281 1.00 1.03 H new ATOM 1993 N LYS A 133 -7.504 -9.642 0.336 1.00 1.05 N ATOM 1994 CA LYS A 133 -8.150 -10.895 0.690 1.00 1.12 C ATOM 1995 C LYS A 133 -8.558 -10.854 2.164 1.00 1.29 C ATOM 1996 O LYS A 133 -7.932 -11.502 3.002 1.00 2.90 O ATOM 1997 CB LYS A 133 -7.251 -12.080 0.331 1.00 1.44 C ATOM 1998 CG LYS A 133 -7.945 -13.407 0.644 1.00 1.48 C ATOM 1999 CD LYS A 133 -7.322 -14.553 -0.156 1.00 2.25 C ATOM 2000 CE LYS A 133 -8.061 -14.765 -1.479 1.00 3.35 C ATOM 2001 NZ LYS A 133 -7.219 -15.527 -2.427 1.00 4.62 N ATOM 0 H LYS A 133 -6.489 -9.695 0.248 1.00 1.05 H new ATOM 0 HA LYS A 133 -9.063 -11.032 0.111 1.00 1.12 H new ATOM 0 HB2 LYS A 133 -6.995 -12.040 -0.728 1.00 1.44 H new ATOM 0 HB3 LYS A 133 -6.316 -12.014 0.887 1.00 1.44 H new ATOM 0 HG2 LYS A 133 -7.868 -13.619 1.710 1.00 1.48 H new ATOM 0 HG3 LYS A 133 -9.007 -13.330 0.410 1.00 1.48 H new ATOM 0 HD2 LYS A 133 -6.272 -14.335 -0.353 1.00 2.25 H new ATOM 0 HD3 LYS A 133 -7.352 -15.470 0.432 1.00 2.25 H new ATOM 0 HE2 LYS A 133 -8.993 -15.301 -1.300 1.00 3.35 H new ATOM 0 HE3 LYS A 133 -8.326 -13.801 -1.913 1.00 3.35 H new ATOM 0 HZ1 LYS A 133 -7.824 -15.979 -3.142 1.00 4.62 H new ATOM 0 HZ2 LYS A 133 -6.552 -14.881 -2.896 1.00 4.62 H new ATOM 0 HZ3 LYS A 133 -6.688 -16.257 -1.910 1.00 4.62 H new ATOM 2015 N GLU A 134 -9.604 -10.089 2.435 1.00 1.20 N ATOM 2016 CA GLU A 134 -10.139 -10.002 3.783 1.00 1.12 C ATOM 2017 C GLU A 134 -9.180 -9.224 4.686 1.00 1.13 C ATOM 2018 O GLU A 134 -7.969 -9.231 4.465 1.00 1.92 O ATOM 2019 CB GLU A 134 -10.419 -11.395 4.352 1.00 1.30 C ATOM 2020 CG GLU A 134 -11.734 -11.414 5.133 1.00 1.86 C ATOM 2021 CD GLU A 134 -11.863 -12.695 5.961 1.00 2.01 C ATOM 2022 OE1 GLU A 134 -11.983 -13.767 5.330 1.00 2.44 O ATOM 2023 OE2 GLU A 134 -11.838 -12.573 7.204 1.00 2.69 O ATOM 0 H GLU A 134 -10.096 -9.523 1.744 1.00 1.20 H new ATOM 0 HA GLU A 134 -11.086 -9.464 3.743 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -10.464 -12.121 3.540 1.00 1.30 H new ATOM 0 HB3 GLU A 134 -9.600 -11.696 5.005 1.00 1.30 H new ATOM 0 HG2 GLU A 134 -11.783 -10.546 5.790 1.00 1.86 H new ATOM 0 HG3 GLU A 134 -12.573 -11.338 4.441 1.00 1.86 H new ATOM 2030 N GLY A 135 -9.756 -8.571 5.685 1.00 0.70 N ATOM 2031 CA GLY A 135 -8.967 -7.790 6.622 1.00 0.76 C ATOM 2032 C GLY A 135 -9.180 -6.292 6.403 1.00 0.77 C ATOM 2033 O GLY A 135 -8.680 -5.471 7.170 1.00 0.81 O ATOM 0 H GLY A 135 -10.760 -8.567 5.866 1.00 0.70 H new ATOM 0 HA2 GLY A 135 -9.242 -8.054 7.643 1.00 0.76 H new ATOM 0 HA3 GLY A 135 -7.911 -8.032 6.503 1.00 0.76 H new ATOM 2037 N MET A 136 -9.923 -5.979 5.351 1.00 0.98 N ATOM 2038 CA MET A 136 -10.168 -4.593 4.993 1.00 1.24 C ATOM 2039 C MET A 136 -11.016 -3.893 6.056 1.00 1.01 C ATOM 2040 O MET A 136 -11.103 -2.666 6.077 1.00 0.95 O ATOM 2041 CB MET A 136 -10.888 -4.534 3.645 1.00 1.75 C ATOM 2042 CG MET A 136 -12.378 -4.841 3.805 1.00 1.19 C ATOM 2043 SD MET A 136 -13.209 -4.674 2.233 1.00 1.56 S ATOM 2044 CE MET A 136 -13.049 -2.914 1.983 1.00 1.27 C ATOM 0 H MET A 136 -10.363 -6.663 4.735 1.00 0.98 H new ATOM 0 HA MET A 136 -9.209 -4.080 4.926 1.00 1.24 H new ATOM 0 HB2 MET A 136 -10.762 -3.545 3.205 1.00 1.75 H new ATOM 0 HB3 MET A 136 -10.438 -5.249 2.957 1.00 1.75 H new ATOM 0 HG2 MET A 136 -12.510 -5.852 4.190 1.00 1.19 H new ATOM 0 HG3 MET A 136 -12.821 -4.162 4.534 1.00 1.19 H new ATOM 0 HE1 MET A 136 -14.002 -2.506 1.645 1.00 1.27 H new ATOM 0 HE2 MET A 136 -12.762 -2.438 2.921 1.00 1.27 H new ATOM 0 HE3 MET A 136 -12.285 -2.721 1.230 1.00 1.27 H new ATOM 2054 N ASN A 137 -11.620 -4.703 6.913 1.00 0.96 N ATOM 2055 CA ASN A 137 -12.389 -4.176 8.027 1.00 0.89 C ATOM 2056 C ASN A 137 -11.463 -3.373 8.945 1.00 0.73 C ATOM 2057 O ASN A 137 -11.888 -2.395 9.558 1.00 0.70 O ATOM 2058 CB ASN A 137 -13.009 -5.305 8.853 1.00 0.99 C ATOM 2059 CG ASN A 137 -13.755 -4.751 10.068 1.00 1.65 C ATOM 2060 OD1 ASN A 137 -14.877 -4.280 9.978 1.00 3.06 O ATOM 2061 ND2 ASN A 137 -13.071 -4.832 11.205 1.00 2.41 N ATOM 0 H ASN A 137 -11.592 -5.721 6.858 1.00 0.96 H new ATOM 0 HA ASN A 137 -13.183 -3.549 7.621 1.00 0.89 H new ATOM 0 HB2 ASN A 137 -13.696 -5.880 8.232 1.00 0.99 H new ATOM 0 HB3 ASN A 137 -12.228 -5.990 9.183 1.00 0.99 H new ATOM 0 HD21 ASN A 137 -13.482 -4.488 12.073 1.00 2.41 H new ATOM 0 HD22 ASN A 137 -12.135 -5.238 11.209 1.00 2.41 H new ATOM 2068 N ILE A 138 -10.217 -3.818 9.010 1.00 0.71 N ATOM 2069 CA ILE A 138 -9.221 -3.136 9.819 1.00 0.66 C ATOM 2070 C ILE A 138 -8.809 -1.837 9.124 1.00 0.68 C ATOM 2071 O ILE A 138 -8.598 -0.817 9.780 1.00 0.72 O ATOM 2072 CB ILE A 138 -8.048 -4.070 10.124 1.00 0.71 C ATOM 2073 CG1 ILE A 138 -8.531 -5.354 10.801 1.00 0.83 C ATOM 2074 CG2 ILE A 138 -6.978 -3.354 10.950 1.00 0.77 C ATOM 2075 CD1 ILE A 138 -9.157 -5.053 12.164 1.00 1.15 C ATOM 0 H ILE A 138 -9.874 -4.642 8.516 1.00 0.71 H new ATOM 0 HA ILE A 138 -9.639 -2.861 10.787 1.00 0.66 H new ATOM 0 HB ILE A 138 -7.586 -4.358 9.180 1.00 0.71 H new ATOM 0 HG12 ILE A 138 -9.261 -5.853 10.164 1.00 0.83 H new ATOM 0 HG13 ILE A 138 -7.694 -6.041 10.925 1.00 0.83 H new ATOM 0 HG21 ILE A 138 -6.156 -4.040 11.153 1.00 0.77 H new ATOM 0 HG22 ILE A 138 -6.604 -2.494 10.394 1.00 0.77 H new ATOM 0 HG23 ILE A 138 -7.411 -3.017 11.892 1.00 0.77 H new ATOM 0 HD11 ILE A 138 -9.492 -5.983 12.624 1.00 1.15 H new ATOM 0 HD12 ILE A 138 -8.417 -4.576 12.807 1.00 1.15 H new ATOM 0 HD13 ILE A 138 -10.009 -4.385 12.034 1.00 1.15 H new ATOM 2087 N VAL A 139 -8.705 -1.916 7.806 1.00 0.73 N ATOM 2088 CA VAL A 139 -8.383 -0.744 7.009 1.00 0.77 C ATOM 2089 C VAL A 139 -9.476 0.310 7.195 1.00 0.75 C ATOM 2090 O VAL A 139 -9.182 1.493 7.358 1.00 0.78 O ATOM 2091 CB VAL A 139 -8.181 -1.145 5.546 1.00 0.85 C ATOM 2092 CG1 VAL A 139 -8.119 0.088 4.643 1.00 0.91 C ATOM 2093 CG2 VAL A 139 -6.929 -2.008 5.382 1.00 0.96 C ATOM 0 H VAL A 139 -8.838 -2.773 7.270 1.00 0.73 H new ATOM 0 HA VAL A 139 -7.445 -0.301 7.343 1.00 0.77 H new ATOM 0 HB VAL A 139 -9.041 -1.741 5.240 1.00 0.85 H new ATOM 0 HG11 VAL A 139 -7.975 -0.225 3.609 1.00 0.91 H new ATOM 0 HG12 VAL A 139 -9.051 0.647 4.726 1.00 0.91 H new ATOM 0 HG13 VAL A 139 -7.287 0.722 4.949 1.00 0.91 H new ATOM 0 HG21 VAL A 139 -6.809 -2.279 4.333 1.00 0.96 H new ATOM 0 HG22 VAL A 139 -6.055 -1.448 5.715 1.00 0.96 H new ATOM 0 HG23 VAL A 139 -7.030 -2.913 5.981 1.00 0.96 H new ATOM 2103 N GLU A 140 -10.716 -0.158 7.163 1.00 0.77 N ATOM 2104 CA GLU A 140 -11.852 0.721 7.379 1.00 0.79 C ATOM 2105 C GLU A 140 -11.783 1.346 8.774 1.00 0.79 C ATOM 2106 O GLU A 140 -12.007 2.544 8.934 1.00 0.86 O ATOM 2107 CB GLU A 140 -13.171 -0.029 7.180 1.00 0.84 C ATOM 2108 CG GLU A 140 -14.335 0.947 6.998 1.00 0.84 C ATOM 2109 CD GLU A 140 -15.633 0.363 7.560 1.00 2.00 C ATOM 2110 OE1 GLU A 140 -15.856 0.542 8.777 1.00 3.32 O ATOM 2111 OE2 GLU A 140 -16.373 -0.250 6.760 1.00 2.79 O ATOM 0 H GLU A 140 -10.958 -1.134 6.991 1.00 0.77 H new ATOM 0 HA GLU A 140 -11.811 1.522 6.641 1.00 0.79 H new ATOM 0 HB2 GLU A 140 -13.096 -0.678 6.308 1.00 0.84 H new ATOM 0 HB3 GLU A 140 -13.361 -0.671 8.040 1.00 0.84 H new ATOM 0 HG2 GLU A 140 -14.108 1.887 7.500 1.00 0.84 H new ATOM 0 HG3 GLU A 140 -14.462 1.174 5.939 1.00 0.84 H new ATOM 2118 N ALA A 141 -11.472 0.504 9.749 1.00 0.74 N ATOM 2119 CA ALA A 141 -11.398 0.953 11.130 1.00 0.79 C ATOM 2120 C ALA A 141 -10.355 2.068 11.243 1.00 0.76 C ATOM 2121 O ALA A 141 -10.555 3.037 11.973 1.00 0.81 O ATOM 2122 CB ALA A 141 -11.079 -0.237 12.037 1.00 0.83 C ATOM 0 H ALA A 141 -11.268 -0.486 9.611 1.00 0.74 H new ATOM 0 HA ALA A 141 -12.355 1.362 11.453 1.00 0.79 H new ATOM 0 HB1 ALA A 141 -11.023 0.099 13.072 1.00 0.83 H new ATOM 0 HB2 ALA A 141 -11.863 -0.988 11.941 1.00 0.83 H new ATOM 0 HB3 ALA A 141 -10.123 -0.671 11.745 1.00 0.83 H new ATOM 2128 N MET A 142 -9.266 1.893 10.509 1.00 0.77 N ATOM 2129 CA MET A 142 -8.199 2.878 10.507 1.00 0.82 C ATOM 2130 C MET A 142 -8.642 4.164 9.806 1.00 0.81 C ATOM 2131 O MET A 142 -8.390 5.263 10.299 1.00 0.98 O ATOM 2132 CB MET A 142 -6.973 2.303 9.793 1.00 0.95 C ATOM 2133 CG MET A 142 -6.209 1.342 10.706 1.00 1.77 C ATOM 2134 SD MET A 142 -4.562 1.079 10.072 1.00 1.73 S ATOM 2135 CE MET A 142 -4.937 0.090 8.635 1.00 1.92 C ATOM 0 H MET A 142 -9.100 1.083 9.911 1.00 0.77 H new ATOM 0 HA MET A 142 -7.949 3.117 11.541 1.00 0.82 H new ATOM 0 HB2 MET A 142 -7.286 1.780 8.889 1.00 0.95 H new ATOM 0 HB3 MET A 142 -6.315 3.114 9.481 1.00 0.95 H new ATOM 0 HG2 MET A 142 -6.158 1.749 11.716 1.00 1.77 H new ATOM 0 HG3 MET A 142 -6.738 0.391 10.772 1.00 1.77 H new ATOM 0 HE1 MET A 142 -4.017 -0.341 8.240 1.00 1.92 H new ATOM 0 HE2 MET A 142 -5.623 -0.710 8.913 1.00 1.92 H new ATOM 0 HE3 MET A 142 -5.400 0.717 7.873 1.00 1.92 H new ATOM 2145 N GLU A 143 -9.293 3.985 8.667 1.00 0.81 N ATOM 2146 CA GLU A 143 -9.627 5.110 7.810 1.00 0.87 C ATOM 2147 C GLU A 143 -10.716 5.967 8.460 1.00 1.03 C ATOM 2148 O GLU A 143 -10.692 7.193 8.353 1.00 1.05 O ATOM 2149 CB GLU A 143 -10.060 4.633 6.422 1.00 1.12 C ATOM 2150 CG GLU A 143 -11.578 4.725 6.260 1.00 1.64 C ATOM 2151 CD GLU A 143 -12.004 4.329 4.845 1.00 1.61 C ATOM 2152 OE1 GLU A 143 -11.680 5.101 3.918 1.00 2.09 O ATOM 2153 OE2 GLU A 143 -12.645 3.262 4.723 1.00 2.54 O ATOM 0 H GLU A 143 -9.599 3.077 8.317 1.00 0.81 H new ATOM 0 HA GLU A 143 -8.735 5.724 7.685 1.00 0.87 H new ATOM 0 HB2 GLU A 143 -9.572 5.237 5.657 1.00 1.12 H new ATOM 0 HB3 GLU A 143 -9.736 3.603 6.270 1.00 1.12 H new ATOM 0 HG2 GLU A 143 -12.065 4.074 6.986 1.00 1.64 H new ATOM 0 HG3 GLU A 143 -11.909 5.742 6.472 1.00 1.64 H new ATOM 2160 N ARG A 144 -11.643 5.289 9.119 1.00 1.29 N ATOM 2161 CA ARG A 144 -12.790 5.963 9.703 1.00 1.67 C ATOM 2162 C ARG A 144 -12.424 6.549 11.068 1.00 1.68 C ATOM 2163 O ARG A 144 -13.260 7.161 11.729 1.00 2.01 O ATOM 2164 CB ARG A 144 -13.969 5.003 9.868 1.00 2.37 C ATOM 2165 CG ARG A 144 -13.773 4.098 11.086 1.00 2.06 C ATOM 2166 CD ARG A 144 -14.666 2.859 10.997 1.00 3.14 C ATOM 2167 NE ARG A 144 -14.621 2.110 12.274 1.00 3.72 N ATOM 2168 CZ ARG A 144 -15.148 0.891 12.449 1.00 4.93 C ATOM 2169 NH1 ARG A 144 -15.774 0.280 11.434 1.00 5.62 N ATOM 2170 NH2 ARG A 144 -15.049 0.282 13.639 1.00 6.06 N ATOM 0 H ARG A 144 -11.624 4.279 9.262 1.00 1.29 H new ATOM 0 HA ARG A 144 -13.082 6.765 9.026 1.00 1.67 H new ATOM 0 HB2 ARG A 144 -14.893 5.571 9.978 1.00 2.37 H new ATOM 0 HB3 ARG A 144 -14.074 4.393 8.971 1.00 2.37 H new ATOM 0 HG2 ARG A 144 -12.728 3.794 11.153 1.00 2.06 H new ATOM 0 HG3 ARG A 144 -14.003 4.652 11.996 1.00 2.06 H new ATOM 0 HD2 ARG A 144 -15.691 3.155 10.775 1.00 3.14 H new ATOM 0 HD3 ARG A 144 -14.335 2.220 10.179 1.00 3.14 H new ATOM 0 HE ARG A 144 -14.160 2.550 13.070 1.00 3.72 H new ATOM 0 HH11 ARG A 144 -15.849 0.743 10.528 1.00 5.62 H new ATOM 0 HH12 ARG A 144 -16.175 -0.648 11.567 1.00 5.62 H new ATOM 0 HH21 ARG A 144 -14.572 0.747 14.412 1.00 6.06 H new ATOM 0 HH22 ARG A 144 -15.450 -0.646 13.772 1.00 6.06 H new ATOM 2184 N PHE A 145 -11.172 6.339 11.450 1.00 1.55 N ATOM 2185 CA PHE A 145 -10.629 6.993 12.628 1.00 1.76 C ATOM 2186 C PHE A 145 -9.728 8.165 12.238 1.00 1.58 C ATOM 2187 O PHE A 145 -9.249 8.898 13.102 1.00 1.87 O ATOM 2188 CB PHE A 145 -9.794 5.949 13.374 1.00 1.91 C ATOM 2189 CG PHE A 145 -10.525 5.289 14.544 1.00 2.27 C ATOM 2190 CD1 PHE A 145 -11.702 4.639 14.332 1.00 3.56 C ATOM 2191 CD2 PHE A 145 -9.998 5.349 15.797 1.00 2.37 C ATOM 2192 CE1 PHE A 145 -12.379 4.026 15.419 1.00 3.91 C ATOM 2193 CE2 PHE A 145 -10.676 4.736 16.883 1.00 2.82 C ATOM 2194 CZ PHE A 145 -11.853 4.088 16.672 1.00 3.16 C ATOM 0 H PHE A 145 -10.519 5.725 10.964 1.00 1.55 H new ATOM 0 HA PHE A 145 -11.439 7.382 13.244 1.00 1.76 H new ATOM 0 HB2 PHE A 145 -9.484 5.176 12.670 1.00 1.91 H new ATOM 0 HB3 PHE A 145 -8.886 6.424 13.747 1.00 1.91 H new ATOM 0 HD1 PHE A 145 -12.121 4.590 13.338 1.00 3.56 H new ATOM 0 HD2 PHE A 145 -9.063 5.863 15.965 1.00 2.37 H new ATOM 0 HE1 PHE A 145 -13.313 3.510 15.251 1.00 3.91 H new ATOM 0 HE2 PHE A 145 -10.257 4.784 17.877 1.00 2.82 H new ATOM 0 HZ PHE A 145 -12.370 3.623 17.499 1.00 3.16 H new ATOM 2204 N GLY A 146 -9.526 8.308 10.936 1.00 1.26 N ATOM 2205 CA GLY A 146 -8.629 9.330 10.426 1.00 1.09 C ATOM 2206 C GLY A 146 -9.276 10.715 10.502 1.00 1.08 C ATOM 2207 O GLY A 146 -10.293 10.893 11.171 1.00 1.65 O ATOM 0 H GLY A 146 -9.969 7.733 10.219 1.00 1.26 H new ATOM 0 HA2 GLY A 146 -7.703 9.325 11.000 1.00 1.09 H new ATOM 0 HA3 GLY A 146 -8.365 9.104 9.393 1.00 1.09 H new ATOM 2211 N SER A 147 -8.660 11.660 9.807 1.00 0.93 N ATOM 2212 CA SER A 147 -9.123 13.037 9.842 1.00 1.21 C ATOM 2213 C SER A 147 -8.592 13.798 8.625 1.00 1.46 C ATOM 2214 O SER A 147 -7.695 13.321 7.933 1.00 2.32 O ATOM 2215 CB SER A 147 -8.689 13.731 11.134 1.00 1.85 C ATOM 2216 OG SER A 147 -9.222 13.090 12.289 1.00 3.14 O ATOM 0 H SER A 147 -7.844 11.499 9.216 1.00 0.93 H new ATOM 0 HA SER A 147 -10.213 13.033 9.813 1.00 1.21 H new ATOM 0 HB2 SER A 147 -7.601 13.739 11.193 1.00 1.85 H new ATOM 0 HB3 SER A 147 -9.015 14.771 11.114 1.00 1.85 H new ATOM 0 HG SER A 147 -9.911 12.448 12.018 1.00 3.14 H new ATOM 2222 N ARG A 148 -9.169 14.970 8.403 1.00 1.76 N ATOM 2223 CA ARG A 148 -8.896 15.720 7.189 1.00 2.23 C ATOM 2224 C ARG A 148 -7.559 16.454 7.309 1.00 2.38 C ATOM 2225 O ARG A 148 -7.042 16.976 6.321 1.00 2.83 O ATOM 2226 CB ARG A 148 -10.004 16.738 6.909 1.00 2.79 C ATOM 2227 CG ARG A 148 -9.906 17.932 7.860 1.00 3.37 C ATOM 2228 CD ARG A 148 -11.152 18.814 7.762 1.00 4.00 C ATOM 2229 NE ARG A 148 -10.957 20.055 8.545 1.00 5.28 N ATOM 2230 CZ ARG A 148 -10.353 21.154 8.072 1.00 6.52 C ATOM 2231 NH1 ARG A 148 -9.752 21.126 6.876 1.00 6.76 N ATOM 2232 NH2 ARG A 148 -10.353 22.282 8.797 1.00 7.95 N ATOM 0 H ARG A 148 -9.824 15.418 9.043 1.00 1.76 H new ATOM 0 HA ARG A 148 -8.853 15.010 6.363 1.00 2.23 H new ATOM 0 HB2 ARG A 148 -9.933 17.083 5.878 1.00 2.79 H new ATOM 0 HB3 ARG A 148 -10.978 16.260 7.019 1.00 2.79 H new ATOM 0 HG2 ARG A 148 -9.787 17.577 8.884 1.00 3.37 H new ATOM 0 HG3 ARG A 148 -9.020 18.520 7.621 1.00 3.37 H new ATOM 0 HD2 ARG A 148 -11.352 19.060 6.719 1.00 4.00 H new ATOM 0 HD3 ARG A 148 -12.021 18.272 8.134 1.00 4.00 H new ATOM 0 HE ARG A 148 -11.304 20.075 9.504 1.00 5.28 H new ATOM 0 HH11 ARG A 148 -9.754 20.268 6.324 1.00 6.76 H new ATOM 0 HH12 ARG A 148 -9.292 21.963 6.516 1.00 6.76 H new ATOM 0 HH21 ARG A 148 -10.812 22.303 9.707 1.00 7.95 H new ATOM 0 HH22 ARG A 148 -9.894 23.119 8.438 1.00 7.95 H new ATOM 2246 N ASN A 149 -7.035 16.471 8.526 1.00 2.30 N ATOM 2247 CA ASN A 149 -5.795 17.178 8.798 1.00 2.77 C ATOM 2248 C ASN A 149 -4.615 16.331 8.318 1.00 2.60 C ATOM 2249 O ASN A 149 -3.475 16.794 8.317 1.00 3.26 O ATOM 2250 CB ASN A 149 -5.621 17.426 10.297 1.00 3.14 C ATOM 2251 CG ASN A 149 -5.856 16.142 11.097 1.00 2.87 C ATOM 2252 OD1 ASN A 149 -6.914 15.919 11.662 1.00 3.50 O ATOM 2253 ND2 ASN A 149 -4.816 15.315 11.112 1.00 2.92 N ATOM 0 H ASN A 149 -7.447 16.006 9.335 1.00 2.30 H new ATOM 0 HA ASN A 149 -5.830 18.134 8.276 1.00 2.77 H new ATOM 0 HB2 ASN A 149 -4.617 17.802 10.493 1.00 3.14 H new ATOM 0 HB3 ASN A 149 -6.319 18.196 10.625 1.00 3.14 H new ATOM 0 HD21 ASN A 149 -4.874 14.431 11.618 1.00 2.92 H new ATOM 0 HD22 ASN A 149 -3.959 15.564 10.617 1.00 2.92 H new ATOM 2260 N GLY A 150 -4.928 15.107 7.922 1.00 1.89 N ATOM 2261 CA GLY A 150 -3.915 14.208 7.395 1.00 1.95 C ATOM 2262 C GLY A 150 -4.197 12.762 7.807 1.00 1.52 C ATOM 2263 O GLY A 150 -4.409 11.900 6.956 1.00 2.69 O ATOM 0 H GLY A 150 -5.869 14.716 7.955 1.00 1.89 H new ATOM 0 HA2 GLY A 150 -3.889 14.282 6.308 1.00 1.95 H new ATOM 0 HA3 GLY A 150 -2.932 14.508 7.759 1.00 1.95 H new ATOM 2267 N LYS A 151 -4.189 12.541 9.114 1.00 1.49 N ATOM 2268 CA LYS A 151 -4.347 11.198 9.647 1.00 2.01 C ATOM 2269 C LYS A 151 -4.978 11.278 11.038 1.00 1.76 C ATOM 2270 O LYS A 151 -5.141 12.365 11.590 1.00 1.97 O ATOM 2271 CB LYS A 151 -3.013 10.450 9.618 1.00 3.17 C ATOM 2272 CG LYS A 151 -1.924 11.243 10.344 1.00 2.68 C ATOM 2273 CD LYS A 151 -0.836 10.312 10.885 1.00 4.14 C ATOM 2274 CE LYS A 151 0.527 11.006 10.888 1.00 3.96 C ATOM 2275 NZ LYS A 151 1.200 10.831 9.581 1.00 4.36 N ATOM 0 H LYS A 151 -4.076 13.269 9.819 1.00 1.49 H new ATOM 0 HA LYS A 151 -5.025 10.617 9.022 1.00 2.01 H new ATOM 0 HB2 LYS A 151 -3.130 9.473 10.086 1.00 3.17 H new ATOM 0 HB3 LYS A 151 -2.713 10.275 8.585 1.00 3.17 H new ATOM 0 HG2 LYS A 151 -1.481 11.968 9.661 1.00 2.68 H new ATOM 0 HG3 LYS A 151 -2.366 11.807 11.165 1.00 2.68 H new ATOM 0 HD2 LYS A 151 -1.091 9.999 11.897 1.00 4.14 H new ATOM 0 HD3 LYS A 151 -0.788 9.410 10.275 1.00 4.14 H new ATOM 0 HE2 LYS A 151 0.401 12.068 11.100 1.00 3.96 H new ATOM 0 HE3 LYS A 151 1.150 10.595 11.682 1.00 3.96 H new ATOM 0 HZ1 LYS A 151 1.989 11.504 9.504 1.00 4.36 H new ATOM 0 HZ2 LYS A 151 1.564 9.860 9.505 1.00 4.36 H new ATOM 0 HZ3 LYS A 151 0.520 11.006 8.814 1.00 4.36 H new ATOM 2289 N THR A 152 -5.316 10.110 11.567 1.00 2.08 N ATOM 2290 CA THR A 152 -5.917 10.034 12.889 1.00 2.11 C ATOM 2291 C THR A 152 -5.028 10.732 13.919 1.00 1.85 C ATOM 2292 O THR A 152 -3.897 11.110 13.615 1.00 2.11 O ATOM 2293 CB THR A 152 -6.172 8.559 13.206 1.00 2.94 C ATOM 2294 OG1 THR A 152 -6.612 8.567 14.562 1.00 4.51 O ATOM 2295 CG2 THR A 152 -4.884 7.734 13.237 1.00 2.95 C ATOM 0 H THR A 152 -5.185 9.210 11.105 1.00 2.08 H new ATOM 0 HA THR A 152 -6.872 10.559 12.922 1.00 2.11 H new ATOM 0 HB THR A 152 -6.852 8.141 12.464 1.00 2.94 H new ATOM 0 HG1 THR A 152 -7.589 8.642 14.589 1.00 4.51 H new ATOM 0 HG21 THR A 152 -5.123 6.695 13.466 1.00 2.95 H new ATOM 0 HG22 THR A 152 -4.394 7.788 12.265 1.00 2.95 H new ATOM 0 HG23 THR A 152 -4.216 8.130 14.002 1.00 2.95 H new ATOM 2303 N SER A 153 -5.571 10.881 15.118 1.00 1.98 N ATOM 2304 CA SER A 153 -4.831 11.503 16.203 1.00 2.26 C ATOM 2305 C SER A 153 -4.410 10.443 17.224 1.00 2.04 C ATOM 2306 O SER A 153 -4.674 10.586 18.416 1.00 2.64 O ATOM 2307 CB SER A 153 -5.662 12.594 16.882 1.00 3.22 C ATOM 2308 OG SER A 153 -6.082 13.596 15.961 1.00 3.98 O ATOM 0 H SER A 153 -6.515 10.582 15.362 1.00 1.98 H new ATOM 0 HA SER A 153 -3.939 11.971 15.785 1.00 2.26 H new ATOM 0 HB2 SER A 153 -6.537 12.144 17.352 1.00 3.22 H new ATOM 0 HB3 SER A 153 -5.075 13.055 17.677 1.00 3.22 H new ATOM 0 HG SER A 153 -6.611 14.273 16.433 1.00 3.98 H new ATOM 2314 N LYS A 154 -3.762 9.404 16.717 1.00 1.60 N ATOM 2315 CA LYS A 154 -3.293 8.326 17.572 1.00 1.92 C ATOM 2316 C LYS A 154 -1.838 8.005 17.226 1.00 1.86 C ATOM 2317 O LYS A 154 -0.934 8.773 17.551 1.00 2.48 O ATOM 2318 CB LYS A 154 -4.230 7.120 17.475 1.00 2.12 C ATOM 2319 CG LYS A 154 -5.492 7.337 18.312 1.00 2.77 C ATOM 2320 CD LYS A 154 -5.179 7.259 19.807 1.00 2.40 C ATOM 2321 CE LYS A 154 -6.175 6.349 20.529 1.00 3.59 C ATOM 2322 NZ LYS A 154 -5.761 4.933 20.414 1.00 5.15 N ATOM 0 H LYS A 154 -3.551 9.286 15.726 1.00 1.60 H new ATOM 0 HA LYS A 154 -3.312 8.632 18.618 1.00 1.92 H new ATOM 0 HB2 LYS A 154 -4.505 6.951 16.434 1.00 2.12 H new ATOM 0 HB3 LYS A 154 -3.712 6.224 17.817 1.00 2.12 H new ATOM 0 HG2 LYS A 154 -5.925 8.309 18.078 1.00 2.77 H new ATOM 0 HG3 LYS A 154 -6.238 6.585 18.053 1.00 2.77 H new ATOM 0 HD2 LYS A 154 -4.166 6.882 19.951 1.00 2.40 H new ATOM 0 HD3 LYS A 154 -5.212 8.258 20.242 1.00 2.40 H new ATOM 0 HE2 LYS A 154 -6.239 6.631 21.580 1.00 3.59 H new ATOM 0 HE3 LYS A 154 -7.170 6.479 20.103 1.00 3.59 H new ATOM 0 HZ1 LYS A 154 -6.603 4.333 20.307 1.00 5.15 H new ATOM 0 HZ2 LYS A 154 -5.146 4.818 19.583 1.00 5.15 H new ATOM 0 HZ3 LYS A 154 -5.242 4.652 21.271 1.00 5.15 H new ATOM 2336 N LYS A 155 -1.657 6.867 16.572 1.00 1.48 N ATOM 2337 CA LYS A 155 -0.321 6.402 16.236 1.00 1.43 C ATOM 2338 C LYS A 155 -0.423 5.074 15.481 1.00 1.23 C ATOM 2339 O LYS A 155 -0.276 4.007 16.072 1.00 1.52 O ATOM 2340 CB LYS A 155 0.552 6.330 17.489 1.00 1.75 C ATOM 2341 CG LYS A 155 1.667 7.376 17.442 1.00 1.94 C ATOM 2342 CD LYS A 155 2.888 6.842 16.691 1.00 2.51 C ATOM 2343 CE LYS A 155 4.022 7.869 16.686 1.00 3.21 C ATOM 2344 NZ LYS A 155 5.243 7.292 16.080 1.00 4.50 N ATOM 0 H LYS A 155 -2.412 6.253 16.266 1.00 1.48 H new ATOM 0 HA LYS A 155 0.173 7.111 15.571 1.00 1.43 H new ATOM 0 HB2 LYS A 155 -0.063 6.489 18.375 1.00 1.75 H new ATOM 0 HB3 LYS A 155 0.986 5.334 17.577 1.00 1.75 H new ATOM 0 HG2 LYS A 155 1.302 8.280 16.954 1.00 1.94 H new ATOM 0 HG3 LYS A 155 1.953 7.654 18.456 1.00 1.94 H new ATOM 0 HD2 LYS A 155 3.231 5.919 17.158 1.00 2.51 H new ATOM 0 HD3 LYS A 155 2.610 6.597 15.666 1.00 2.51 H new ATOM 0 HE2 LYS A 155 3.716 8.754 16.129 1.00 3.21 H new ATOM 0 HE3 LYS A 155 4.233 8.191 17.706 1.00 3.21 H new ATOM 0 HZ1 LYS A 155 6.002 8.003 16.085 1.00 4.50 H new ATOM 0 HZ2 LYS A 155 5.543 6.461 16.628 1.00 4.50 H new ATOM 0 HZ3 LYS A 155 5.043 7.006 15.100 1.00 4.50 H new ATOM 2358 N ILE A 156 -0.675 5.186 14.185 1.00 1.11 N ATOM 2359 CA ILE A 156 -0.854 4.008 13.352 1.00 1.00 C ATOM 2360 C ILE A 156 0.516 3.474 12.931 1.00 0.97 C ATOM 2361 O ILE A 156 1.058 3.883 11.907 1.00 1.33 O ATOM 2362 CB ILE A 156 -1.782 4.319 12.176 1.00 0.98 C ATOM 2363 CG1 ILE A 156 -3.089 4.949 12.660 1.00 1.33 C ATOM 2364 CG2 ILE A 156 -2.026 3.071 11.326 1.00 1.32 C ATOM 2365 CD1 ILE A 156 -3.893 3.960 13.507 1.00 1.54 C ATOM 0 H ILE A 156 -0.760 6.074 13.691 1.00 1.11 H new ATOM 0 HA ILE A 156 -1.346 3.215 13.914 1.00 1.00 H new ATOM 0 HB ILE A 156 -1.290 5.052 11.537 1.00 0.98 H new ATOM 0 HG12 ILE A 156 -2.871 5.842 13.246 1.00 1.33 H new ATOM 0 HG13 ILE A 156 -3.683 5.267 11.803 1.00 1.33 H new ATOM 0 HG21 ILE A 156 -2.689 3.319 10.497 1.00 1.32 H new ATOM 0 HG22 ILE A 156 -1.076 2.706 10.935 1.00 1.32 H new ATOM 0 HG23 ILE A 156 -2.487 2.297 11.940 1.00 1.32 H new ATOM 0 HD11 ILE A 156 -4.818 4.433 13.839 1.00 1.54 H new ATOM 0 HD12 ILE A 156 -4.130 3.079 12.911 1.00 1.54 H new ATOM 0 HD13 ILE A 156 -3.305 3.663 14.376 1.00 1.54 H new ATOM 2377 N THR A 157 1.037 2.566 13.744 1.00 0.86 N ATOM 2378 CA THR A 157 2.365 2.025 13.509 1.00 0.96 C ATOM 2379 C THR A 157 2.276 0.555 13.094 1.00 0.82 C ATOM 2380 O THR A 157 1.350 -0.151 13.491 1.00 0.73 O ATOM 2381 CB THR A 157 3.197 2.251 14.773 1.00 1.21 C ATOM 2382 OG1 THR A 157 2.433 1.636 15.807 1.00 1.35 O ATOM 2383 CG2 THR A 157 3.256 3.725 15.181 1.00 1.57 C ATOM 0 H THR A 157 0.563 2.192 14.566 1.00 0.86 H new ATOM 0 HA THR A 157 2.860 2.534 12.682 1.00 0.96 H new ATOM 0 HB THR A 157 4.208 1.878 14.612 1.00 1.21 H new ATOM 0 HG1 THR A 157 1.675 1.156 15.412 1.00 1.35 H new ATOM 0 HG21 THR A 157 3.859 3.829 16.083 1.00 1.57 H new ATOM 0 HG22 THR A 157 3.704 4.308 14.376 1.00 1.57 H new ATOM 0 HG23 THR A 157 2.247 4.090 15.374 1.00 1.57 H new ATOM 2391 N ILE A 158 3.253 0.139 12.301 1.00 0.91 N ATOM 2392 CA ILE A 158 3.357 -1.259 11.915 1.00 0.85 C ATOM 2393 C ILE A 158 4.226 -2.001 12.933 1.00 0.90 C ATOM 2394 O ILE A 158 5.345 -1.581 13.223 1.00 1.01 O ATOM 2395 CB ILE A 158 3.858 -1.380 10.475 1.00 0.90 C ATOM 2396 CG1 ILE A 158 2.853 -0.774 9.492 1.00 1.09 C ATOM 2397 CG2 ILE A 158 4.192 -2.833 10.131 1.00 0.92 C ATOM 2398 CD1 ILE A 158 1.970 -1.859 8.873 1.00 2.18 C ATOM 0 H ILE A 158 3.978 0.744 11.916 1.00 0.91 H new ATOM 0 HA ILE A 158 2.375 -1.733 11.928 1.00 0.85 H new ATOM 0 HB ILE A 158 4.781 -0.808 10.385 1.00 0.90 H new ATOM 0 HG12 ILE A 158 2.230 -0.043 10.008 1.00 1.09 H new ATOM 0 HG13 ILE A 158 3.385 -0.240 8.705 1.00 1.09 H new ATOM 0 HG21 ILE A 158 4.546 -2.891 9.102 1.00 0.92 H new ATOM 0 HG22 ILE A 158 4.969 -3.197 10.803 1.00 0.92 H new ATOM 0 HG23 ILE A 158 3.299 -3.448 10.243 1.00 0.92 H new ATOM 0 HD11 ILE A 158 1.265 -1.402 8.179 1.00 2.18 H new ATOM 0 HD12 ILE A 158 2.594 -2.575 8.338 1.00 2.18 H new ATOM 0 HD13 ILE A 158 1.421 -2.375 9.661 1.00 2.18 H new ATOM 2410 N ALA A 159 3.677 -3.092 13.446 1.00 0.95 N ATOM 2411 CA ALA A 159 4.417 -3.939 14.366 1.00 1.09 C ATOM 2412 C ALA A 159 5.509 -4.688 13.601 1.00 1.20 C ATOM 2413 O ALA A 159 6.690 -4.575 13.928 1.00 1.35 O ATOM 2414 CB ALA A 159 3.449 -4.887 15.077 1.00 1.22 C ATOM 0 H ALA A 159 2.729 -3.409 13.242 1.00 0.95 H new ATOM 0 HA ALA A 159 4.907 -3.337 15.131 1.00 1.09 H new ATOM 0 HB1 ALA A 159 4.003 -5.523 15.767 1.00 1.22 H new ATOM 0 HB2 ALA A 159 2.712 -4.306 15.631 1.00 1.22 H new ATOM 0 HB3 ALA A 159 2.941 -5.509 14.340 1.00 1.22 H new ATOM 2420 N ASP A 160 5.077 -5.434 12.596 1.00 1.18 N ATOM 2421 CA ASP A 160 6.004 -6.202 11.781 1.00 1.37 C ATOM 2422 C ASP A 160 5.290 -6.673 10.512 1.00 1.27 C ATOM 2423 O ASP A 160 4.080 -6.499 10.375 1.00 1.19 O ATOM 2424 CB ASP A 160 6.502 -7.439 12.529 1.00 1.68 C ATOM 2425 CG ASP A 160 7.617 -7.175 13.543 1.00 3.20 C ATOM 2426 OD1 ASP A 160 8.723 -6.811 13.088 1.00 4.78 O ATOM 2427 OD2 ASP A 160 7.339 -7.347 14.750 1.00 3.40 O ATOM 0 H ASP A 160 4.097 -5.524 12.327 1.00 1.18 H new ATOM 0 HA ASP A 160 6.852 -5.561 11.541 1.00 1.37 H new ATOM 0 HB2 ASP A 160 5.659 -7.895 13.049 1.00 1.68 H new ATOM 0 HB3 ASP A 160 6.859 -8.167 11.800 1.00 1.68 H new ATOM 2432 N CYS A 161 6.070 -7.260 9.616 1.00 1.33 N ATOM 2433 CA CYS A 161 5.528 -7.755 8.362 1.00 1.28 C ATOM 2434 C CYS A 161 6.197 -9.094 8.046 1.00 1.28 C ATOM 2435 O CYS A 161 7.257 -9.406 8.586 1.00 1.50 O ATOM 2436 CB CYS A 161 5.711 -6.744 7.228 1.00 1.41 C ATOM 2437 SG CYS A 161 7.456 -6.194 7.156 1.00 2.56 S ATOM 0 H CYS A 161 7.073 -7.404 9.734 1.00 1.33 H new ATOM 0 HA CYS A 161 4.452 -7.901 8.460 1.00 1.28 H new ATOM 0 HB2 CYS A 161 5.423 -7.195 6.278 1.00 1.41 H new ATOM 0 HB3 CYS A 161 5.057 -5.886 7.385 1.00 1.41 H new ATOM 0 HG CYS A 161 8.104 -6.919 6.293 1.00 2.56 H new ATOM 2443 N GLY A 162 5.549 -9.851 7.172 1.00 1.16 N ATOM 2444 CA GLY A 162 6.077 -11.141 6.763 1.00 1.30 C ATOM 2445 C GLY A 162 5.471 -11.585 5.430 1.00 1.24 C ATOM 2446 O GLY A 162 4.981 -10.758 4.661 1.00 1.83 O ATOM 0 H GLY A 162 4.663 -9.595 6.736 1.00 1.16 H new ATOM 0 HA2 GLY A 162 7.162 -11.081 6.671 1.00 1.30 H new ATOM 0 HA3 GLY A 162 5.862 -11.885 7.530 1.00 1.30 H new ATOM 2450 N GLN A 163 5.521 -12.888 5.198 1.00 1.08 N ATOM 2451 CA GLN A 163 4.983 -13.451 3.971 1.00 1.01 C ATOM 2452 C GLN A 163 4.357 -14.820 4.247 1.00 1.04 C ATOM 2453 O GLN A 163 4.715 -15.487 5.215 1.00 1.10 O ATOM 2454 CB GLN A 163 6.062 -13.549 2.892 1.00 1.24 C ATOM 2455 CG GLN A 163 6.599 -14.977 2.780 1.00 1.93 C ATOM 2456 CD GLN A 163 7.784 -15.044 1.816 1.00 2.27 C ATOM 2457 OE1 GLN A 163 8.931 -14.618 2.337 1.00 2.29 O flip ATOM 2458 NE2 GLN A 163 7.665 -15.455 0.673 1.00 3.59 N flip ATOM 0 H GLN A 163 5.926 -13.571 5.839 1.00 1.08 H new ATOM 0 HA GLN A 163 4.205 -12.785 3.599 1.00 1.01 H new ATOM 0 HB2 GLN A 163 5.651 -13.235 1.932 1.00 1.24 H new ATOM 0 HB3 GLN A 163 6.879 -12.867 3.127 1.00 1.24 H new ATOM 0 HG2 GLN A 163 6.906 -15.332 3.764 1.00 1.93 H new ATOM 0 HG3 GLN A 163 5.807 -15.641 2.434 1.00 1.93 H new ATOM 0 HE21 GLN A 163 6.755 -15.768 0.336 1.00 3.59 H new ATOM 0 HE22 GLN A 163 8.476 -15.486 0.055 1.00 3.59 H new ATOM 2467 N LEU A 164 3.431 -15.197 3.377 1.00 1.19 N ATOM 2468 CA LEU A 164 2.791 -16.498 3.481 1.00 1.35 C ATOM 2469 C LEU A 164 2.831 -17.192 2.119 1.00 1.58 C ATOM 2470 O LEU A 164 3.217 -16.586 1.120 1.00 2.49 O ATOM 2471 CB LEU A 164 1.382 -16.356 4.058 1.00 1.20 C ATOM 2472 CG LEU A 164 1.280 -15.652 5.412 1.00 1.35 C ATOM 2473 CD1 LEU A 164 -0.119 -15.066 5.622 1.00 1.46 C ATOM 2474 CD2 LEU A 164 1.685 -16.589 6.552 1.00 1.59 C ATOM 0 H LEU A 164 3.109 -14.624 2.597 1.00 1.19 H new ATOM 0 HA LEU A 164 3.334 -17.135 4.179 1.00 1.35 H new ATOM 0 HB2 LEU A 164 0.770 -15.810 3.340 1.00 1.20 H new ATOM 0 HB3 LEU A 164 0.948 -17.351 4.155 1.00 1.20 H new ATOM 0 HG LEU A 164 1.983 -14.819 5.416 1.00 1.35 H new ATOM 0 HD11 LEU A 164 -0.164 -14.571 6.592 1.00 1.46 H new ATOM 0 HD12 LEU A 164 -0.332 -14.342 4.835 1.00 1.46 H new ATOM 0 HD13 LEU A 164 -0.858 -15.867 5.588 1.00 1.46 H new ATOM 0 HD21 LEU A 164 1.603 -16.062 7.503 1.00 1.59 H new ATOM 0 HD22 LEU A 164 1.026 -17.458 6.560 1.00 1.59 H new ATOM 0 HD23 LEU A 164 2.715 -16.916 6.406 1.00 1.59 H new ATOM 2486 N GLU A 165 2.425 -18.453 2.121 1.00 1.98 N ATOM 2487 CA GLU A 165 2.384 -19.229 0.892 1.00 2.55 C ATOM 2488 C GLU A 165 1.489 -18.539 -0.141 1.00 4.05 C ATOM 2489 O GLU A 165 0.693 -17.668 0.206 1.00 5.09 O ATOM 2490 CB GLU A 165 1.909 -20.658 1.162 1.00 4.06 C ATOM 2491 CG GLU A 165 0.430 -20.680 1.549 1.00 5.76 C ATOM 2492 CD GLU A 165 0.030 -22.048 2.107 1.00 7.31 C ATOM 2493 OE1 GLU A 165 0.241 -22.250 3.322 1.00 7.83 O ATOM 2494 OE2 GLU A 165 -0.477 -22.861 1.305 1.00 8.49 O ATOM 0 H GLU A 165 2.121 -18.957 2.954 1.00 1.98 H new ATOM 0 HA GLU A 165 3.394 -19.288 0.487 1.00 2.55 H new ATOM 0 HB2 GLU A 165 2.065 -21.271 0.274 1.00 4.06 H new ATOM 0 HB3 GLU A 165 2.504 -21.098 1.962 1.00 4.06 H new ATOM 0 HG2 GLU A 165 0.233 -19.908 2.293 1.00 5.76 H new ATOM 0 HG3 GLU A 165 -0.181 -20.446 0.677 1.00 5.76 H new