USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 81:sc=-0.000452 USER MOD Set 1.2: A 120 GLN : amide:sc= -2.77! C(o=-2.8!,f=-3.2!) USER MOD Set 2.1: A 106 GLN : amide:sc= -2.82! C(o=-2.1!,f=-5.3!) USER MOD Set 2.2: A 108 TYR OH : rot 80:sc= 0.761 USER MOD Set 3.1: A 69 TYR OH : rot 73:sc= 0.504 USER MOD Set 3.2: A 70 GLN : amide:sc= -0.895! K(o=-0.39!,f=1.2) USER MOD Set 4.1: A 57 HIS : no HD1:sc= 0 X(o=-0.14,f=-0.18) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= -0.142 USER MOD Set 5.1: A 49 TYR OH : rot 173:sc= -0.556! USER MOD Set 5.2: A 58 MET CE :methyl -168:sc= -0.574 (180deg=-0.921) USER MOD Set 6.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 26 CYS SG : rot 160:sc= -0.779 USER MOD Set 7.1: A 8 SER OG : rot 103:sc= 0.727 USER MOD Set 7.2: A 10 TYR OH : rot 119:sc= -0.176 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.28) USER MOD Single : A 16 GLN : amide:sc= -0.0197 K(o=-0.02,f=-2!) USER MOD Single : A 22 CYS SG : rot -98:sc= 0.401 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.244! USER MOD Single : A 31 SER OG : rot 78:sc= 0.0251 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 26:sc= -4.03 USER MOD Single : A 37 ASN : amide:sc= -6.8! C(o=-6.8!,f=-8.2!) USER MOD Single : A 38 SER OG : rot 57:sc= 1.19 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.101 USER MOD Single : A 63 GLN : amide:sc= -3.75! C(o=-3.8!,f=-5.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -3.71! C(o=-3.7!,f=-4.7!) USER MOD Single : A 81 SER OG : rot -120:sc= -0.782 USER MOD Single : A 82 CYS SG : rot -30:sc= -0.798! USER MOD Single : A 86 HIS : no HD1:sc= 0.0208 K(o=0.021,f=-1.8!) USER MOD Single : A 88 SER OG : rot 41:sc= 0.244 USER MOD Single : A 89 SER OG : rot 33:sc= 0.193 USER MOD Single : A 92 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -2.78! (180deg=-5.44!) USER MOD Single : A 96 GLN : amide:sc= -5.34! C(o=-5.3!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= -0.0383 (180deg=-0.336) USER MOD Single : A 104 ASN : amide:sc= -2.15 K(o=-2.1,f=-8.8!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -175:sc= 0.0231 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.5) USER MOD Single : A 127 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-4.9!) USER MOD Single : A 128 SER OG : rot -68:sc= 0.41 USER MOD Single : A 129 CYS SG : rot 29:sc= 0.174 USER MOD Single : A 130 LYS NZ :NH3+ -169:sc= 0.0915 (180deg=0.0112) USER MOD Single : A 139 TYR OH : rot 6:sc= -2.27 USER MOD Single : A 143 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.5) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.19) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 161:sc=-0.00163 (180deg=-0.47) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.479 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc=-0.00223 USER MOD Single : A 170 GLN : amide:sc= -0.372 K(o=-0.37,f=-0.87) USER MOD Single : A 171 SER OG : rot -124:sc= -0.546 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -16.007 -12.223 1.180 1.00 0.52 N ATOM 51 CA GLY A 4 -16.354 -11.665 2.521 1.00 0.30 C ATOM 52 C GLY A 4 -15.038 -11.458 3.273 1.00 0.41 C ATOM 53 O GLY A 4 -14.553 -12.330 3.967 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.892 -10.723 2.419 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -17.006 -12.348 3.066 1.00 0.30 H new ATOM 57 N GLY A 5 -14.446 -10.301 3.109 1.00 0.01 N ATOM 58 CA GLY A 5 -13.149 -10.018 3.784 1.00 0.01 C ATOM 59 C GLY A 5 -13.367 -9.672 5.260 1.00 0.01 C ATOM 60 O GLY A 5 -14.370 -9.105 5.641 1.00 0.01 O ATOM 0 H GLY A 5 -14.809 -9.540 2.534 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.495 -10.886 3.702 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.646 -9.191 3.283 1.00 0.01 H new ATOM 64 N LYS A 6 -12.422 -10.018 6.088 1.00 0.00 N ATOM 65 CA LYS A 6 -12.535 -9.726 7.547 1.00 0.01 C ATOM 66 C LYS A 6 -11.129 -9.579 8.136 1.00 0.01 C ATOM 67 O LYS A 6 -10.236 -10.358 7.842 1.00 0.00 O ATOM 68 CB LYS A 6 -13.285 -10.867 8.251 1.00 0.02 C ATOM 69 CG LYS A 6 -13.146 -10.739 9.772 1.00 0.02 C ATOM 70 CD LYS A 6 -14.141 -11.679 10.458 1.00 0.02 C ATOM 71 CE LYS A 6 -13.736 -11.881 11.920 1.00 0.02 C ATOM 72 NZ LYS A 6 -14.707 -12.798 12.584 1.00 0.02 N ATOM 0 H LYS A 6 -11.564 -10.497 5.814 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.091 -8.800 7.695 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.339 -10.844 7.973 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.889 -11.828 7.923 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.129 -10.984 10.077 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.331 -9.710 10.079 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.147 -11.262 10.403 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.165 -12.638 9.941 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -12.730 -12.297 11.975 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -13.713 -10.922 12.438 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -14.431 -12.935 13.577 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.660 -12.383 12.543 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.708 -13.716 12.095 1.00 0.02 H new ATOM 86 N ILE A 7 -10.944 -8.587 8.981 1.00 0.02 N ATOM 87 CA ILE A 7 -9.615 -8.356 9.632 1.00 0.00 C ATOM 88 C ILE A 7 -9.814 -8.199 11.146 1.00 0.02 C ATOM 89 O ILE A 7 -10.763 -7.585 11.595 1.00 0.01 O ATOM 90 CB ILE A 7 -8.956 -7.110 9.030 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.724 -6.726 9.852 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.944 -5.949 9.027 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.888 -5.704 9.072 1.00 0.02 C ATOM 0 H ILE A 7 -11.669 -7.921 9.249 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.958 -9.208 9.454 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.655 -7.330 8.006 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -8.029 -6.306 10.811 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -7.127 -7.612 10.068 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.468 -5.067 8.598 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.817 -6.216 8.432 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.254 -5.732 10.049 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -6.010 -5.430 9.657 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.571 -6.140 8.125 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.488 -4.815 8.879 1.00 0.02 H new ATOM 105 N SER A 8 -8.917 -8.747 11.934 1.00 0.02 N ATOM 106 CA SER A 8 -9.024 -8.634 13.429 1.00 0.02 C ATOM 107 C SER A 8 -7.774 -7.950 13.989 1.00 0.01 C ATOM 108 O SER A 8 -6.660 -8.339 13.703 1.00 0.02 O ATOM 109 CB SER A 8 -9.165 -10.028 14.049 1.00 0.30 C ATOM 110 OG SER A 8 -9.753 -9.909 15.337 1.00 0.39 O ATOM 0 H SER A 8 -8.108 -9.273 11.604 1.00 0.02 H new ATOM 0 HA SER A 8 -9.903 -8.039 13.677 1.00 0.02 H new ATOM 0 HB2 SER A 8 -9.782 -10.662 13.412 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.188 -10.506 14.125 1.00 0.30 H new ATOM 0 HG SER A 8 -10.697 -10.166 15.290 1.00 0.39 H new ATOM 116 N PHE A 9 -7.961 -6.937 14.801 1.00 0.02 N ATOM 117 CA PHE A 9 -6.808 -6.210 15.420 1.00 0.01 C ATOM 118 C PHE A 9 -6.763 -6.534 16.917 1.00 0.01 C ATOM 119 O PHE A 9 -7.789 -6.608 17.562 1.00 0.02 O ATOM 120 CB PHE A 9 -7.017 -4.701 15.257 1.00 0.02 C ATOM 121 CG PHE A 9 -7.384 -4.364 13.831 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.698 -4.548 13.385 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.415 -3.851 12.962 1.00 0.01 C ATOM 124 CE1 PHE A 9 -9.044 -4.214 12.071 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.759 -3.521 11.647 1.00 0.02 C ATOM 126 CZ PHE A 9 -8.074 -3.702 11.201 1.00 0.02 C ATOM 0 H PHE A 9 -8.879 -6.578 15.065 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.880 -6.515 14.936 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.805 -4.363 15.930 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -6.108 -4.170 15.539 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.445 -4.948 14.055 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.401 -3.710 13.307 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -10.059 -4.351 11.728 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -6.011 -3.127 10.976 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.340 -3.447 10.186 1.00 0.02 H new ATOM 136 N TYR A 10 -5.589 -6.735 17.476 1.00 0.02 N ATOM 137 CA TYR A 10 -5.483 -7.061 18.942 1.00 0.01 C ATOM 138 C TYR A 10 -4.586 -6.037 19.640 1.00 0.02 C ATOM 139 O TYR A 10 -3.572 -5.621 19.112 1.00 0.01 O ATOM 140 CB TYR A 10 -4.875 -8.455 19.100 1.00 0.02 C ATOM 141 CG TYR A 10 -5.642 -9.437 18.243 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.462 -9.444 16.854 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.526 -10.344 18.838 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.167 -10.357 16.061 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.232 -11.257 18.044 1.00 0.02 C ATOM 146 CZ TYR A 10 -7.053 -11.263 16.657 1.00 0.00 C ATOM 147 OH TYR A 10 -7.748 -12.165 15.877 1.00 0.02 O ATOM 0 H TYR A 10 -4.698 -6.688 16.981 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.475 -7.033 19.392 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.825 -8.442 18.806 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.910 -8.763 20.145 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.779 -8.745 16.395 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.664 -10.340 19.909 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.028 -10.363 14.990 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.915 -11.957 18.503 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.508 -13.078 16.140 1.00 0.02 H new ATOM 157 N GLU A 11 -4.971 -5.602 20.815 1.00 0.00 N ATOM 158 CA GLU A 11 -4.163 -4.574 21.536 1.00 0.02 C ATOM 159 C GLU A 11 -2.807 -5.135 21.964 1.00 0.03 C ATOM 160 O GLU A 11 -1.853 -4.393 22.091 1.00 0.03 O ATOM 161 CB GLU A 11 -4.925 -4.113 22.790 1.00 0.00 C ATOM 162 CG GLU A 11 -6.030 -3.124 22.404 1.00 0.00 C ATOM 163 CD GLU A 11 -5.425 -1.739 22.159 1.00 0.02 C ATOM 164 OE1 GLU A 11 -4.220 -1.663 21.981 1.00 0.01 O ATOM 165 OE2 GLU A 11 -6.177 -0.779 22.156 1.00 0.02 O ATOM 0 H GLU A 11 -5.809 -5.915 21.304 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.997 -3.737 20.858 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.359 -4.974 23.298 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.235 -3.643 23.491 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.543 -3.470 21.507 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.776 -3.070 23.197 1.00 0.00 H new ATOM 172 N ASP A 12 -2.695 -6.424 22.189 1.00 0.02 N ATOM 173 CA ASP A 12 -1.378 -7.003 22.612 1.00 0.01 C ATOM 174 C ASP A 12 -0.838 -7.934 21.524 1.00 0.02 C ATOM 175 O ASP A 12 -1.511 -8.269 20.570 1.00 0.02 O ATOM 176 CB ASP A 12 -1.553 -7.801 23.909 1.00 0.01 C ATOM 177 CG ASP A 12 -0.186 -8.048 24.550 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.516 -8.927 24.079 1.00 0.02 O ATOM 179 OD2 ASP A 12 0.136 -7.353 25.500 1.00 0.03 O ATOM 0 H ASP A 12 -3.455 -7.098 22.098 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.675 -6.186 22.774 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.196 -7.255 24.599 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.044 -8.751 23.699 1.00 0.01 H new ATOM 184 N ARG A 13 0.389 -8.337 21.677 1.00 0.02 N ATOM 185 CA ARG A 13 1.035 -9.235 20.680 1.00 0.02 C ATOM 186 C ARG A 13 0.511 -10.670 20.838 1.00 0.00 C ATOM 187 O ARG A 13 -0.063 -11.032 21.848 1.00 0.02 O ATOM 188 CB ARG A 13 2.547 -9.203 20.920 1.00 0.00 C ATOM 189 CG ARG A 13 2.981 -7.778 21.284 1.00 0.01 C ATOM 190 CD ARG A 13 4.493 -7.629 21.088 1.00 0.02 C ATOM 191 NE ARG A 13 4.792 -7.446 19.641 1.00 0.03 N ATOM 192 CZ ARG A 13 5.961 -7.001 19.267 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.871 -6.718 20.159 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.216 -6.834 17.999 1.00 0.02 N ATOM 0 H ARG A 13 0.983 -8.078 22.464 1.00 0.02 H new ATOM 0 HA ARG A 13 0.804 -8.897 19.670 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.812 -9.891 21.723 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.074 -9.537 20.026 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.452 -7.057 20.661 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.716 -7.561 22.319 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.862 -6.775 21.657 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.008 -8.511 21.468 1.00 0.02 H new ATOM 0 HE ARG A 13 4.083 -7.668 18.942 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.670 -6.844 21.151 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.784 -6.371 19.864 1.00 0.02 H new ATOM 0 HH21 ARG A 13 5.503 -7.051 17.303 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.128 -6.486 17.704 1.00 0.02 H new ATOM 208 N ASN A 14 0.705 -11.483 19.829 1.00 0.02 N ATOM 209 CA ASN A 14 0.244 -12.899 19.885 1.00 0.02 C ATOM 210 C ASN A 14 -1.275 -12.959 20.010 1.00 0.02 C ATOM 211 O ASN A 14 -1.832 -13.816 20.663 1.00 0.02 O ATOM 212 CB ASN A 14 0.918 -13.598 21.068 1.00 0.26 C ATOM 213 CG ASN A 14 2.382 -13.162 21.146 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.915 -12.970 22.221 1.00 0.74 O ATOM 215 ND2 ASN A 14 3.060 -13.000 20.041 1.00 0.46 N ATOM 0 H ASN A 14 1.169 -11.220 18.960 1.00 0.02 H new ATOM 0 HA ASN A 14 0.521 -13.411 18.964 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.402 -13.348 21.995 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.855 -14.680 20.950 1.00 0.26 H new ATOM 0 HD21 ASN A 14 4.038 -12.712 20.080 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.612 -13.161 19.139 1.00 0.46 H new ATOM 222 N PHE A 15 -1.927 -12.017 19.380 1.00 0.02 N ATOM 223 CA PHE A 15 -3.418 -11.928 19.397 1.00 0.02 C ATOM 224 C PHE A 15 -3.958 -12.023 20.822 1.00 0.00 C ATOM 225 O PHE A 15 -4.955 -12.664 21.084 1.00 0.02 O ATOM 226 CB PHE A 15 -4.054 -13.015 18.509 1.00 0.02 C ATOM 227 CG PHE A 15 -3.407 -14.358 18.741 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.296 -14.738 17.979 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.915 -15.223 19.717 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.695 -15.983 18.193 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.313 -16.469 19.930 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.203 -16.849 19.167 1.00 0.02 C ATOM 0 H PHE A 15 -1.473 -11.283 18.837 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.691 -10.954 18.990 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.121 -13.082 18.720 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.953 -12.736 17.460 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.903 -14.070 17.226 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.771 -14.929 20.306 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.838 -16.276 17.605 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.705 -17.137 20.683 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.739 -17.810 19.330 1.00 0.02 H new ATOM 242 N GLN A 16 -3.313 -11.347 21.736 1.00 0.02 N ATOM 243 CA GLN A 16 -3.779 -11.337 23.158 1.00 0.02 C ATOM 244 C GLN A 16 -4.333 -9.939 23.462 1.00 0.02 C ATOM 245 O GLN A 16 -4.121 -9.007 22.709 1.00 0.02 O ATOM 246 CB GLN A 16 -2.596 -11.624 24.084 1.00 0.02 C ATOM 247 CG GLN A 16 -2.282 -13.123 24.068 1.00 0.00 C ATOM 248 CD GLN A 16 -0.933 -13.367 24.745 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.238 -12.434 25.099 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.529 -14.592 24.941 1.00 0.02 N ATOM 0 H GLN A 16 -2.474 -10.795 21.558 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.546 -12.096 23.313 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.723 -11.056 23.762 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.829 -11.302 25.099 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.066 -13.675 24.586 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.258 -13.490 23.042 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.112 -15.375 24.644 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.369 -14.767 25.391 1.00 0.02 H new ATOM 259 N GLY A 17 -5.043 -9.772 24.549 1.00 0.03 N ATOM 260 CA GLY A 17 -5.595 -8.422 24.875 1.00 0.03 C ATOM 261 C GLY A 17 -6.972 -8.233 24.226 1.00 0.02 C ATOM 262 O GLY A 17 -7.571 -9.166 23.731 1.00 0.02 O ATOM 0 H GLY A 17 -5.263 -10.507 25.221 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.677 -8.308 25.956 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.912 -7.649 24.524 1.00 0.03 H new ATOM 266 N ARG A 18 -7.467 -7.024 24.219 1.00 0.00 N ATOM 267 CA ARG A 18 -8.795 -6.745 23.593 1.00 0.02 C ATOM 268 C ARG A 18 -8.684 -6.926 22.081 1.00 0.02 C ATOM 269 O ARG A 18 -7.667 -6.628 21.483 1.00 0.02 O ATOM 270 CB ARG A 18 -9.197 -5.302 23.907 1.00 0.79 C ATOM 271 CG ARG A 18 -10.654 -5.078 23.498 1.00 1.49 C ATOM 272 CD ARG A 18 -11.118 -3.709 23.995 1.00 1.42 C ATOM 273 NE ARG A 18 -10.140 -2.666 23.571 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.472 -1.405 23.617 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.660 -1.062 24.036 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.617 -0.490 23.247 1.00 2.76 N ATOM 0 H ARG A 18 -7.005 -6.210 24.624 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.546 -7.430 23.987 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.072 -5.102 24.971 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.548 -4.608 23.374 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.752 -5.135 22.414 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.285 -5.862 23.917 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -12.105 -3.481 23.594 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.209 -3.717 25.081 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.212 -2.938 23.245 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.325 -1.779 24.326 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.923 -0.077 24.073 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.689 -0.761 22.922 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.877 0.496 23.283 1.00 2.76 H new ATOM 290 N ARG A 19 -9.722 -7.439 21.458 1.00 0.02 N ATOM 291 CA ARG A 19 -9.695 -7.681 19.981 1.00 0.02 C ATOM 292 C ARG A 19 -10.826 -6.904 19.297 1.00 0.02 C ATOM 293 O ARG A 19 -11.885 -6.697 19.857 1.00 0.02 O ATOM 294 CB ARG A 19 -9.880 -9.188 19.734 1.00 0.85 C ATOM 295 CG ARG A 19 -10.161 -9.476 18.236 1.00 1.31 C ATOM 296 CD ARG A 19 -11.678 -9.580 17.970 1.00 1.34 C ATOM 297 NE ARG A 19 -12.107 -11.001 18.106 1.00 1.50 N ATOM 298 CZ ARG A 19 -13.375 -11.295 18.211 1.00 1.63 C ATOM 299 NH1 ARG A 19 -14.267 -10.344 18.192 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.749 -12.538 18.333 1.00 1.89 N ATOM 0 H ARG A 19 -10.594 -7.702 21.917 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.744 -7.343 19.569 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -8.985 -9.724 20.049 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.705 -9.561 20.341 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -9.734 -8.683 17.623 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.672 -10.405 17.942 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -12.226 -8.954 18.674 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.909 -9.213 16.970 1.00 1.34 H new ATOM 0 HE ARG A 19 -11.409 -11.745 18.117 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -13.974 -9.372 18.095 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -15.258 -10.572 18.274 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.051 -13.282 18.347 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.740 -12.767 18.415 1.00 1.89 H new ATOM 314 N TYR A 20 -10.601 -6.497 18.072 1.00 0.02 N ATOM 315 CA TYR A 20 -11.642 -5.750 17.295 1.00 0.02 C ATOM 316 C TYR A 20 -11.737 -6.359 15.892 1.00 0.02 C ATOM 317 O TYR A 20 -10.744 -6.522 15.216 1.00 0.02 O ATOM 318 CB TYR A 20 -11.250 -4.274 17.186 1.00 0.02 C ATOM 319 CG TYR A 20 -12.227 -3.557 16.280 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.573 -3.451 16.651 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.790 -2.998 15.070 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.481 -2.790 15.814 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.698 -2.338 14.234 1.00 0.02 C ATOM 324 CZ TYR A 20 -14.044 -2.234 14.607 1.00 0.02 C ATOM 325 OH TYR A 20 -14.940 -1.583 13.783 1.00 0.01 O ATOM 0 H TYR A 20 -9.727 -6.653 17.569 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.604 -5.824 17.802 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.249 -3.813 18.174 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.238 -4.184 16.791 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.911 -3.879 17.583 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.752 -3.077 14.783 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.519 -2.710 16.101 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.361 -1.909 13.302 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.473 -1.255 12.986 1.00 0.01 H new ATOM 335 N ASP A 21 -12.926 -6.702 15.456 1.00 0.01 N ATOM 336 CA ASP A 21 -13.104 -7.319 14.100 1.00 0.02 C ATOM 337 C ASP A 21 -13.847 -6.341 13.186 1.00 0.00 C ATOM 338 O ASP A 21 -14.812 -5.714 13.580 1.00 0.01 O ATOM 339 CB ASP A 21 -13.926 -8.608 14.245 1.00 0.12 C ATOM 340 CG ASP A 21 -13.013 -9.757 14.681 1.00 0.41 C ATOM 341 OD1 ASP A 21 -11.943 -9.887 14.110 1.00 1.12 O ATOM 342 OD2 ASP A 21 -13.400 -10.486 15.579 1.00 0.56 O ATOM 0 H ASP A 21 -13.789 -6.580 15.986 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.130 -7.546 13.667 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.720 -8.464 14.978 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.407 -8.852 13.298 1.00 0.12 H new ATOM 347 N CYS A 22 -13.391 -6.210 11.961 1.00 0.01 N ATOM 348 CA CYS A 22 -14.046 -5.274 10.994 1.00 0.00 C ATOM 349 C CYS A 22 -14.309 -6.010 9.677 1.00 0.02 C ATOM 350 O CYS A 22 -13.482 -6.760 9.194 1.00 0.01 O ATOM 351 CB CYS A 22 -13.121 -4.078 10.755 1.00 0.00 C ATOM 352 SG CYS A 22 -14.045 -2.756 9.933 1.00 0.02 S ATOM 0 H CYS A 22 -12.587 -6.716 11.589 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.995 -4.920 11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.719 -3.720 11.703 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.272 -4.378 10.142 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.821 -2.801 8.653 1.00 0.02 H new ATOM 358 N ASP A 23 -15.466 -5.801 9.100 1.00 0.01 N ATOM 359 CA ASP A 23 -15.827 -6.482 7.813 1.00 0.02 C ATOM 360 C ASP A 23 -16.027 -5.438 6.715 1.00 0.00 C ATOM 361 O ASP A 23 -16.507 -5.740 5.641 1.00 0.02 O ATOM 362 CB ASP A 23 -17.125 -7.267 8.008 1.00 0.16 C ATOM 363 CG ASP A 23 -16.905 -8.378 9.037 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.070 -9.233 8.789 1.00 0.20 O ATOM 365 OD2 ASP A 23 -17.575 -8.354 10.056 1.00 0.17 O ATOM 0 H ASP A 23 -16.186 -5.180 9.469 1.00 0.01 H new ATOM 0 HA ASP A 23 -15.024 -7.160 7.523 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.919 -6.599 8.343 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.449 -7.695 7.059 1.00 0.16 H new ATOM 370 N CYS A 24 -15.653 -4.214 6.970 1.00 0.01 N ATOM 371 CA CYS A 24 -15.808 -3.150 5.936 1.00 0.01 C ATOM 372 C CYS A 24 -14.839 -2.014 6.267 1.00 0.01 C ATOM 373 O CYS A 24 -14.182 -2.036 7.290 1.00 0.01 O ATOM 374 CB CYS A 24 -17.246 -2.625 5.945 1.00 0.62 C ATOM 375 SG CYS A 24 -17.466 -1.455 4.581 1.00 1.23 S ATOM 0 H CYS A 24 -15.246 -3.904 7.852 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.590 -3.552 4.947 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.948 -3.453 5.846 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.461 -2.137 6.896 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.687 -1.009 4.585 1.00 1.23 H new ATOM 381 N ASP A 25 -14.729 -1.021 5.425 1.00 0.02 N ATOM 382 CA ASP A 25 -13.789 0.099 5.717 1.00 0.01 C ATOM 383 C ASP A 25 -14.188 0.786 7.024 1.00 0.02 C ATOM 384 O ASP A 25 -15.356 0.946 7.319 1.00 0.00 O ATOM 385 CB ASP A 25 -13.868 1.116 4.572 1.00 0.01 C ATOM 386 CG ASP A 25 -13.038 2.357 4.915 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.296 2.301 5.879 1.00 0.01 O ATOM 388 OD2 ASP A 25 -13.160 3.342 4.207 1.00 0.01 O ATOM 0 H ASP A 25 -15.248 -0.937 4.551 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.775 -0.289 5.812 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.501 0.666 3.649 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -14.906 1.399 4.397 1.00 0.01 H new ATOM 393 N CYS A 26 -13.219 1.213 7.801 1.00 0.01 N ATOM 394 CA CYS A 26 -13.518 1.924 9.084 1.00 0.01 C ATOM 395 C CYS A 26 -12.689 3.209 9.130 1.00 0.01 C ATOM 396 O CYS A 26 -11.472 3.179 9.115 1.00 0.01 O ATOM 397 CB CYS A 26 -13.164 1.028 10.276 1.00 0.01 C ATOM 398 SG CYS A 26 -13.953 1.676 11.770 1.00 0.02 S ATOM 0 H CYS A 26 -12.226 1.098 7.598 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.580 2.164 9.138 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.497 0.007 10.089 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.083 0.991 10.409 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.024 0.736 12.666 1.00 0.02 H new ATOM 404 N ALA A 27 -13.337 4.347 9.148 1.00 0.01 N ATOM 405 CA ALA A 27 -12.586 5.632 9.153 1.00 0.01 C ATOM 406 C ALA A 27 -12.024 5.922 10.541 1.00 0.01 C ATOM 407 O ALA A 27 -11.067 6.649 10.690 1.00 0.02 O ATOM 408 CB ALA A 27 -13.521 6.769 8.731 1.00 0.24 C ATOM 0 H ALA A 27 -14.353 4.438 9.159 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.756 5.555 8.451 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.973 7.711 8.734 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.902 6.574 7.728 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.355 6.832 9.430 1.00 0.24 H new ATOM 414 N ASP A 28 -12.610 5.369 11.565 1.00 0.01 N ATOM 415 CA ASP A 28 -12.098 5.619 12.941 1.00 0.02 C ATOM 416 C ASP A 28 -12.524 4.458 13.837 1.00 0.01 C ATOM 417 O ASP A 28 -13.649 4.393 14.292 1.00 0.02 O ATOM 418 CB ASP A 28 -12.679 6.928 13.479 1.00 0.67 C ATOM 419 CG ASP A 28 -12.091 7.213 14.862 1.00 0.90 C ATOM 420 OD1 ASP A 28 -12.670 6.762 15.837 1.00 0.87 O ATOM 421 OD2 ASP A 28 -11.070 7.877 14.924 1.00 1.14 O ATOM 0 H ASP A 28 -13.422 4.754 11.509 1.00 0.01 H new ATOM 0 HA ASP A 28 -11.011 5.698 12.925 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.450 7.748 12.798 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.765 6.859 13.540 1.00 0.67 H new ATOM 426 N PHE A 29 -11.625 3.544 14.101 1.00 0.02 N ATOM 427 CA PHE A 29 -11.945 2.373 14.976 1.00 0.02 C ATOM 428 C PHE A 29 -11.293 2.563 16.347 1.00 0.00 C ATOM 429 O PHE A 29 -11.251 1.673 17.172 1.00 0.02 O ATOM 430 CB PHE A 29 -11.458 1.080 14.318 1.00 2.87 C ATOM 431 CG PHE A 29 -9.950 1.031 14.291 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.250 1.651 13.251 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.254 0.350 15.297 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.853 1.590 13.216 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.857 0.292 15.261 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.158 0.911 14.222 1.00 6.37 C ATOM 0 H PHE A 29 -10.670 3.559 13.743 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.025 2.303 15.110 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.845 0.220 14.864 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.847 1.014 13.302 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.788 2.176 12.476 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.795 -0.130 16.099 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.311 2.067 12.413 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.318 -0.232 16.037 1.00 5.75 H new ATOM 0 HZ PHE A 29 -6.079 0.865 14.195 1.00 6.37 H new ATOM 446 N ARG A 30 -10.755 3.732 16.573 1.00 0.01 N ATOM 447 CA ARG A 30 -10.073 4.022 17.864 1.00 0.00 C ATOM 448 C ARG A 30 -11.035 3.851 19.041 1.00 0.01 C ATOM 449 O ARG A 30 -10.617 3.622 20.159 1.00 0.02 O ATOM 450 CB ARG A 30 -9.545 5.459 17.854 1.00 0.32 C ATOM 451 CG ARG A 30 -8.752 5.704 16.562 1.00 0.86 C ATOM 452 CD ARG A 30 -7.872 6.947 16.725 1.00 1.62 C ATOM 453 NE ARG A 30 -6.731 6.633 17.629 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.696 7.425 17.668 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.660 8.487 16.913 1.00 3.11 N ATOM 456 NH2 ARG A 30 -4.697 7.152 18.460 1.00 3.02 N ATOM 0 H ARG A 30 -10.760 4.506 15.909 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.248 3.319 17.980 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.374 6.163 17.923 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.908 5.630 18.722 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.134 4.836 16.333 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.436 5.838 15.724 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.501 7.273 15.753 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.458 7.770 17.134 1.00 1.62 H new ATOM 0 HE ARG A 30 -6.759 5.800 18.217 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.441 8.698 16.292 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -4.851 9.107 16.943 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -4.725 6.319 19.048 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -3.887 7.771 18.491 1.00 3.02 H new ATOM 470 N SER A 31 -12.317 3.975 18.818 1.00 0.02 N ATOM 471 CA SER A 31 -13.286 3.833 19.943 1.00 0.02 C ATOM 472 C SER A 31 -13.421 2.360 20.330 1.00 0.01 C ATOM 473 O SER A 31 -13.921 2.028 21.387 1.00 0.02 O ATOM 474 CB SER A 31 -14.651 4.368 19.504 1.00 0.37 C ATOM 475 OG SER A 31 -15.074 3.674 18.339 1.00 0.88 O ATOM 0 H SER A 31 -12.734 4.168 17.907 1.00 0.02 H new ATOM 0 HA SER A 31 -12.926 4.399 20.802 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.380 4.238 20.304 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.588 5.437 19.302 1.00 0.37 H new ATOM 0 HG SER A 31 -15.419 2.792 18.591 1.00 0.88 H new ATOM 481 N TYR A 32 -12.988 1.475 19.471 1.00 0.01 N ATOM 482 CA TYR A 32 -13.095 0.012 19.759 1.00 0.01 C ATOM 483 C TYR A 32 -11.720 -0.529 20.130 1.00 0.02 C ATOM 484 O TYR A 32 -11.595 -1.577 20.735 1.00 0.02 O ATOM 485 CB TYR A 32 -13.597 -0.700 18.503 1.00 0.02 C ATOM 486 CG TYR A 32 -15.048 -0.351 18.276 1.00 0.02 C ATOM 487 CD1 TYR A 32 -16.032 -0.882 19.119 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.416 0.505 17.226 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.377 -0.559 18.915 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.764 0.826 17.023 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.744 0.294 17.869 1.00 0.02 C ATOM 492 OH TYR A 32 -19.072 0.609 17.671 1.00 0.02 O ATOM 0 H TYR A 32 -12.561 1.704 18.574 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.786 -0.157 20.584 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -13.001 -0.403 17.640 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.484 -1.779 18.613 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.752 -1.541 19.927 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.659 0.916 16.574 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.134 -0.969 19.567 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -17.047 1.483 16.214 1.00 0.02 H new ATOM 0 HH TYR A 32 -19.154 1.213 16.904 1.00 0.02 H new ATOM 502 N LEU A 33 -10.679 0.153 19.736 1.00 0.02 N ATOM 503 CA LEU A 33 -9.301 -0.335 20.027 1.00 0.02 C ATOM 504 C LEU A 33 -8.365 0.871 20.214 1.00 0.02 C ATOM 505 O LEU A 33 -8.286 1.748 19.382 1.00 0.02 O ATOM 506 CB LEU A 33 -8.839 -1.137 18.799 1.00 1.66 C ATOM 507 CG LEU A 33 -7.721 -2.137 19.185 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.317 -3.519 19.506 1.00 3.32 C ATOM 509 CD2 LEU A 33 -6.738 -2.277 18.019 1.00 2.80 C ATOM 0 H LEU A 33 -10.725 1.033 19.222 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.285 -0.946 20.930 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.684 -1.677 18.372 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.474 -0.456 18.030 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.206 -1.758 20.068 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -7.516 -4.207 19.775 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.014 -3.430 20.339 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -8.844 -3.900 18.631 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -5.951 -2.981 18.289 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.267 -2.645 17.140 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.296 -1.306 17.797 1.00 2.80 H new ATOM 521 N SER A 34 -7.677 0.923 21.326 1.00 0.02 N ATOM 522 CA SER A 34 -6.765 2.075 21.603 1.00 0.02 C ATOM 523 C SER A 34 -5.380 1.850 20.986 1.00 0.00 C ATOM 524 O SER A 34 -4.570 2.754 20.923 1.00 0.01 O ATOM 525 CB SER A 34 -6.619 2.242 23.115 1.00 0.02 C ATOM 526 OG SER A 34 -7.901 2.138 23.721 1.00 0.02 O ATOM 0 H SER A 34 -7.708 0.213 22.058 1.00 0.02 H new ATOM 0 HA SER A 34 -7.197 2.971 21.157 1.00 0.02 H new ATOM 0 HB2 SER A 34 -5.951 1.479 23.515 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.172 3.209 23.345 1.00 0.02 H new ATOM 0 HG SER A 34 -7.814 2.243 24.691 1.00 0.02 H new ATOM 532 N ARG A 35 -5.093 0.663 20.527 1.00 0.02 N ATOM 533 CA ARG A 35 -3.762 0.385 19.915 1.00 0.01 C ATOM 534 C ARG A 35 -3.827 -1.016 19.295 1.00 0.02 C ATOM 535 O ARG A 35 -4.683 -1.808 19.634 1.00 0.02 O ATOM 536 CB ARG A 35 -2.665 0.447 21.012 1.00 0.02 C ATOM 537 CG ARG A 35 -1.695 1.606 20.739 1.00 0.02 C ATOM 538 CD ARG A 35 -0.584 1.598 21.786 1.00 0.02 C ATOM 539 NE ARG A 35 -1.147 1.983 23.110 1.00 0.02 N ATOM 540 CZ ARG A 35 -0.467 1.757 24.199 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.705 1.190 24.132 1.00 0.00 N ATOM 542 NH2 ARG A 35 -0.961 2.098 25.357 1.00 0.02 N ATOM 0 H ARG A 35 -5.729 -0.134 20.550 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.517 1.122 19.150 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -3.128 0.575 21.990 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.117 -0.495 21.040 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.269 1.510 19.740 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -2.229 2.556 20.768 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.132 0.608 21.845 1.00 0.02 H new ATOM 0 HD3 ARG A 35 0.206 2.292 21.499 1.00 0.02 H new ATOM 0 HE ARG A 35 -2.065 2.424 23.165 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.091 0.923 23.227 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.236 1.014 24.985 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.878 2.541 25.410 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -0.430 1.922 26.210 1.00 0.02 H new ATOM 556 N CYS A 36 -2.925 -1.333 18.400 1.00 0.02 N ATOM 557 CA CYS A 36 -2.926 -2.686 17.764 1.00 0.02 C ATOM 558 C CYS A 36 -1.482 -3.161 17.589 1.00 0.02 C ATOM 559 O CYS A 36 -0.733 -2.569 16.837 1.00 0.02 O ATOM 560 CB CYS A 36 -3.587 -2.602 16.391 1.00 0.02 C ATOM 561 SG CYS A 36 -3.417 -4.192 15.551 1.00 0.02 S ATOM 0 H CYS A 36 -2.184 -0.709 18.081 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.475 -3.384 18.396 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.641 -2.344 16.497 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.124 -1.813 15.799 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.305 -5.140 16.434 1.00 0.02 H new ATOM 567 N ASN A 37 -1.068 -4.202 18.276 1.00 0.02 N ATOM 568 CA ASN A 37 0.351 -4.675 18.140 1.00 0.01 C ATOM 569 C ASN A 37 0.407 -5.991 17.364 1.00 0.02 C ATOM 570 O ASN A 37 1.463 -6.539 17.109 1.00 0.02 O ATOM 571 CB ASN A 37 0.966 -4.879 19.528 1.00 0.02 C ATOM 572 CG ASN A 37 0.728 -3.630 20.379 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.400 -3.245 20.612 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.751 -2.976 20.858 1.00 0.02 N ATOM 0 H ASN A 37 -1.646 -4.742 18.921 1.00 0.02 H new ATOM 0 HA ASN A 37 0.916 -3.918 17.595 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.522 -5.750 20.010 1.00 0.02 H new ATOM 0 HB3 ASN A 37 2.035 -5.073 19.439 1.00 0.02 H new ATOM 0 HD21 ASN A 37 1.602 -2.143 21.427 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.699 -3.298 20.663 1.00 0.02 H new ATOM 581 N SER A 38 -0.735 -6.480 16.961 1.00 0.02 N ATOM 582 CA SER A 38 -0.799 -7.737 16.167 1.00 0.02 C ATOM 583 C SER A 38 -2.106 -7.715 15.375 1.00 0.01 C ATOM 584 O SER A 38 -3.070 -7.087 15.772 1.00 0.02 O ATOM 585 CB SER A 38 -0.752 -8.962 17.082 1.00 0.01 C ATOM 586 OG SER A 38 -1.305 -10.081 16.399 1.00 0.02 O ATOM 0 H SER A 38 -1.641 -6.052 17.153 1.00 0.02 H new ATOM 0 HA SER A 38 0.057 -7.801 15.495 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.277 -9.172 17.375 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.311 -8.768 17.998 1.00 0.01 H new ATOM 0 HG SER A 38 -0.821 -10.223 15.559 1.00 0.02 H new ATOM 592 N ILE A 39 -2.146 -8.376 14.248 1.00 0.02 N ATOM 593 CA ILE A 39 -3.393 -8.367 13.414 1.00 0.02 C ATOM 594 C ILE A 39 -3.582 -9.723 12.732 1.00 0.02 C ATOM 595 O ILE A 39 -2.645 -10.383 12.325 1.00 0.02 O ATOM 596 CB ILE A 39 -3.277 -7.286 12.320 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.248 -5.894 12.970 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.482 -7.386 11.369 1.00 0.01 C ATOM 599 CD1 ILE A 39 -3.011 -4.817 11.908 1.00 0.00 C ATOM 0 H ILE A 39 -1.373 -8.922 13.866 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.243 -8.159 14.064 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.357 -7.439 11.756 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.190 -5.706 13.485 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.460 -5.853 13.722 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.400 -6.622 10.596 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.498 -8.372 10.904 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.403 -7.235 11.932 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.993 -3.836 12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.057 -4.998 11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.814 -4.849 11.172 1.00 0.00 H new ATOM 611 N ARG A 40 -4.819 -10.106 12.549 1.00 0.02 N ATOM 612 CA ARG A 40 -5.137 -11.376 11.836 1.00 0.02 C ATOM 613 C ARG A 40 -6.027 -11.023 10.651 1.00 0.01 C ATOM 614 O ARG A 40 -7.097 -10.472 10.821 1.00 0.02 O ATOM 615 CB ARG A 40 -5.888 -12.355 12.742 1.00 0.01 C ATOM 616 CG ARG A 40 -5.975 -13.724 12.061 1.00 0.02 C ATOM 617 CD ARG A 40 -6.510 -14.760 13.052 1.00 0.02 C ATOM 618 NE ARG A 40 -7.633 -14.174 13.841 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.433 -14.956 14.514 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.256 -16.249 14.489 1.00 0.02 N ATOM 621 NH2 ARG A 40 -9.414 -14.444 15.211 1.00 0.02 N ATOM 0 H ARG A 40 -5.634 -9.583 12.869 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.209 -11.854 11.521 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.375 -12.446 13.700 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.889 -11.978 12.951 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.629 -13.667 11.191 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.991 -14.025 11.701 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.853 -15.645 12.517 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -5.712 -15.082 13.722 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.775 -13.164 13.854 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.492 -16.649 13.944 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -8.881 -16.860 15.015 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -9.554 -13.434 15.229 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.039 -15.055 15.737 1.00 0.02 H new ATOM 635 N VAL A 41 -5.631 -11.373 9.458 1.00 0.02 N ATOM 636 CA VAL A 41 -6.494 -11.100 8.273 1.00 0.01 C ATOM 637 C VAL A 41 -7.109 -12.431 7.863 1.00 0.02 C ATOM 638 O VAL A 41 -6.416 -13.334 7.447 1.00 0.02 O ATOM 639 CB VAL A 41 -5.663 -10.508 7.139 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.596 -10.087 6.002 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.927 -9.274 7.658 1.00 0.00 C ATOM 0 H VAL A 41 -4.746 -11.837 9.252 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.273 -10.375 8.509 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.948 -11.247 6.778 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.009 -9.663 5.188 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.144 -10.957 5.640 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.301 -9.341 6.368 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.329 -8.842 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.652 -8.538 8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.274 -9.560 8.483 1.00 0.00 H new ATOM 651 N GLU A 42 -8.401 -12.564 8.006 1.00 0.01 N ATOM 652 CA GLU A 42 -9.059 -13.855 7.660 1.00 0.01 C ATOM 653 C GLU A 42 -9.336 -13.903 6.166 1.00 0.02 C ATOM 654 O GLU A 42 -9.283 -14.952 5.556 1.00 0.01 O ATOM 655 CB GLU A 42 -10.375 -13.994 8.433 1.00 0.99 C ATOM 656 CG GLU A 42 -10.152 -13.661 9.913 1.00 1.86 C ATOM 657 CD GLU A 42 -9.249 -14.721 10.547 1.00 3.10 C ATOM 658 OE1 GLU A 42 -9.032 -15.740 9.915 1.00 3.67 O ATOM 659 OE2 GLU A 42 -8.795 -14.495 11.656 1.00 3.81 O ATOM 0 H GLU A 42 -9.027 -11.835 8.347 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.397 -14.677 7.932 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -11.126 -13.327 8.011 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.759 -15.009 8.334 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.696 -12.676 10.010 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -11.108 -13.623 10.436 1.00 1.86 H new ATOM 666 N GLY A 43 -9.641 -12.790 5.561 1.00 0.01 N ATOM 667 CA GLY A 43 -9.925 -12.825 4.101 1.00 0.02 C ATOM 668 C GLY A 43 -9.830 -11.430 3.508 1.00 0.02 C ATOM 669 O GLY A 43 -10.101 -10.456 4.178 1.00 0.02 O ATOM 0 H GLY A 43 -9.705 -11.874 6.004 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.217 -13.488 3.603 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.921 -13.233 3.928 1.00 0.02 H new ATOM 673 N GLY A 44 -9.469 -11.325 2.257 1.00 0.00 N ATOM 674 CA GLY A 44 -9.380 -9.982 1.621 1.00 0.01 C ATOM 675 C GLY A 44 -8.034 -9.327 1.943 1.00 0.01 C ATOM 676 O GLY A 44 -7.267 -9.811 2.754 1.00 0.01 O ATOM 0 H GLY A 44 -9.233 -12.110 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.497 -10.075 0.541 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.194 -9.350 1.976 1.00 0.01 H new ATOM 680 N THR A 45 -7.777 -8.199 1.335 1.00 0.01 N ATOM 681 CA THR A 45 -6.514 -7.440 1.610 1.00 0.00 C ATOM 682 C THR A 45 -6.894 -6.060 2.149 1.00 0.01 C ATOM 683 O THR A 45 -7.836 -5.457 1.682 1.00 0.01 O ATOM 684 CB THR A 45 -5.714 -7.282 0.313 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.254 -8.556 -0.113 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.520 -6.361 0.561 1.00 1.48 C ATOM 0 H THR A 45 -8.395 -7.763 0.650 1.00 0.01 H new ATOM 0 HA THR A 45 -5.904 -7.976 2.337 1.00 0.00 H new ATOM 0 HB THR A 45 -6.349 -6.849 -0.459 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.743 -8.458 -0.944 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.950 -6.248 -0.361 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.876 -5.385 0.890 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.881 -6.793 1.332 1.00 1.48 H new ATOM 694 N TRP A 46 -6.225 -5.579 3.174 1.00 0.02 N ATOM 695 CA TRP A 46 -6.612 -4.259 3.775 1.00 0.01 C ATOM 696 C TRP A 46 -5.434 -3.289 3.842 1.00 0.01 C ATOM 697 O TRP A 46 -4.283 -3.663 3.957 1.00 0.01 O ATOM 698 CB TRP A 46 -7.124 -4.500 5.195 1.00 0.00 C ATOM 699 CG TRP A 46 -8.340 -5.367 5.144 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.341 -6.684 4.836 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.728 -5.004 5.400 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.641 -7.153 4.886 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.533 -6.155 5.229 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.359 -3.800 5.759 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.917 -6.111 5.413 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.750 -3.751 5.942 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.527 -4.905 5.769 1.00 0.01 C ATOM 0 H TRP A 46 -5.432 -6.041 3.618 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.380 -3.814 3.142 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.350 -4.976 5.797 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.361 -3.550 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.469 -7.273 4.591 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.909 -8.118 4.693 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.769 -2.906 5.895 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.512 -7.003 5.281 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -12.224 -2.820 6.217 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.597 -4.862 5.911 1.00 0.01 H new ATOM 718 N ALA A 47 -5.759 -2.022 3.832 1.00 0.01 N ATOM 719 CA ALA A 47 -4.736 -0.948 3.964 1.00 0.01 C ATOM 720 C ALA A 47 -4.948 -0.373 5.358 1.00 0.01 C ATOM 721 O ALA A 47 -6.061 -0.092 5.752 1.00 0.01 O ATOM 722 CB ALA A 47 -4.959 0.130 2.901 1.00 0.24 C ATOM 0 H ALA A 47 -6.716 -1.681 3.735 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.722 -1.324 3.826 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.204 0.909 3.009 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.881 -0.315 1.909 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.950 0.565 3.027 1.00 0.24 H new ATOM 728 N VAL A 48 -3.887 -0.182 6.101 1.00 0.01 N ATOM 729 CA VAL A 48 -4.009 0.397 7.475 1.00 0.02 C ATOM 730 C VAL A 48 -3.252 1.724 7.534 1.00 0.01 C ATOM 731 O VAL A 48 -2.209 1.869 6.930 1.00 0.01 O ATOM 732 CB VAL A 48 -3.434 -0.580 8.501 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.271 -1.861 8.509 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.988 -0.920 8.127 1.00 0.65 C ATOM 0 H VAL A 48 -2.934 -0.404 5.813 1.00 0.01 H new ATOM 0 HA VAL A 48 -5.060 0.571 7.705 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.457 -0.123 9.490 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.862 -2.558 9.240 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.301 -1.621 8.773 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.247 -2.317 7.519 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.577 -1.616 8.858 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.966 -1.377 7.138 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.390 -0.008 8.119 1.00 0.65 H new ATOM 744 N TYR A 49 -3.777 2.696 8.244 1.00 0.01 N ATOM 745 CA TYR A 49 -3.099 4.029 8.336 1.00 0.01 C ATOM 746 C TYR A 49 -2.799 4.355 9.795 1.00 0.01 C ATOM 747 O TYR A 49 -3.532 3.998 10.702 1.00 0.02 O ATOM 748 CB TYR A 49 -4.010 5.097 7.733 1.00 0.01 C ATOM 749 CG TYR A 49 -4.297 4.748 6.291 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.206 3.726 5.990 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.657 5.444 5.257 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.476 3.401 4.655 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.928 5.117 3.924 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.837 4.097 3.622 1.00 0.02 C ATOM 755 OH TYR A 49 -5.101 3.777 2.305 1.00 0.01 O ATOM 0 H TYR A 49 -4.650 2.622 8.766 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.160 4.003 7.784 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.941 5.159 8.297 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.534 6.076 7.795 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.698 3.189 6.787 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.955 6.232 5.489 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.177 2.613 4.422 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.435 5.653 3.127 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.663 4.427 1.716 1.00 0.01 H new ATOM 765 N GLU A 50 -1.682 5.003 10.010 1.00 0.01 N ATOM 766 CA GLU A 50 -1.224 5.344 11.386 1.00 0.01 C ATOM 767 C GLU A 50 -2.155 6.352 12.062 1.00 0.01 C ATOM 768 O GLU A 50 -2.343 6.301 13.261 1.00 0.02 O ATOM 769 CB GLU A 50 0.177 5.951 11.289 1.00 0.02 C ATOM 770 CG GLU A 50 0.758 6.127 12.694 1.00 0.01 C ATOM 771 CD GLU A 50 2.196 6.640 12.590 1.00 0.02 C ATOM 772 OE1 GLU A 50 3.059 5.855 12.235 1.00 0.01 O ATOM 773 OE2 GLU A 50 2.407 7.808 12.867 1.00 0.02 O ATOM 0 H GLU A 50 -1.055 5.316 9.269 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.224 4.434 11.986 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.824 5.305 10.695 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.133 6.914 10.779 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.150 6.829 13.265 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.737 5.178 13.230 1.00 0.01 H new ATOM 780 N ARG A 51 -2.711 7.288 11.326 1.00 0.02 N ATOM 781 CA ARG A 51 -3.596 8.322 11.961 1.00 0.02 C ATOM 782 C ARG A 51 -4.976 8.313 11.273 1.00 0.01 C ATOM 783 O ARG A 51 -5.081 7.932 10.119 1.00 0.02 O ATOM 784 CB ARG A 51 -2.929 9.689 11.749 1.00 0.02 C ATOM 785 CG ARG A 51 -1.676 9.807 12.634 1.00 0.01 C ATOM 786 CD ARG A 51 -2.060 9.945 14.121 1.00 0.02 C ATOM 787 NE ARG A 51 -2.142 8.592 14.745 1.00 0.02 N ATOM 788 CZ ARG A 51 -2.159 8.474 16.045 1.00 0.02 C ATOM 789 NH1 ARG A 51 -2.109 9.536 16.797 1.00 0.02 N ATOM 790 NH2 ARG A 51 -2.229 7.293 16.591 1.00 0.01 N ATOM 0 H ARG A 51 -2.591 7.381 10.317 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.732 8.116 13.023 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.656 9.811 10.701 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.631 10.487 11.991 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -1.046 8.928 12.498 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.088 10.671 12.325 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.321 10.553 14.643 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -3.017 10.458 14.214 1.00 0.02 H new ATOM 0 HE ARG A 51 -2.185 7.760 14.156 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -2.057 10.461 16.370 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -2.122 9.443 17.813 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -2.270 6.461 16.003 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -2.242 7.201 17.607 1.00 0.01 H new ATOM 804 N PRO A 52 -6.028 8.728 11.967 1.00 0.02 N ATOM 805 CA PRO A 52 -7.394 8.738 11.371 1.00 0.02 C ATOM 806 C PRO A 52 -7.457 9.433 10.005 1.00 0.01 C ATOM 807 O PRO A 52 -6.564 10.149 9.598 1.00 0.02 O ATOM 808 CB PRO A 52 -8.232 9.491 12.429 1.00 0.02 C ATOM 809 CG PRO A 52 -7.332 9.796 13.643 1.00 0.01 C ATOM 810 CD PRO A 52 -5.942 9.195 13.385 1.00 0.01 C ATOM 0 HA PRO A 52 -7.754 7.731 11.162 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.628 10.416 12.010 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.087 8.888 12.734 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.256 10.872 13.797 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.764 9.374 14.550 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.153 9.935 13.518 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.726 8.373 14.067 1.00 0.01 H new ATOM 818 N ASN A 53 -8.554 9.225 9.327 1.00 0.02 N ATOM 819 CA ASN A 53 -8.786 9.862 8.004 1.00 0.02 C ATOM 820 C ASN A 53 -7.766 9.382 6.973 1.00 0.01 C ATOM 821 O ASN A 53 -7.318 10.125 6.122 1.00 0.01 O ATOM 822 CB ASN A 53 -8.705 11.385 8.152 1.00 0.01 C ATOM 823 CG ASN A 53 -9.337 12.052 6.928 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.116 11.442 6.224 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.033 13.288 6.646 1.00 0.01 N ATOM 0 H ASN A 53 -9.315 8.625 9.645 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.778 9.578 7.651 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.221 11.701 9.058 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.665 11.696 8.253 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.450 13.743 5.834 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -8.379 13.800 7.238 1.00 0.01 H new ATOM 832 N PHE A 54 -7.416 8.126 7.041 1.00 0.02 N ATOM 833 CA PHE A 54 -6.449 7.549 6.070 1.00 0.01 C ATOM 834 C PHE A 54 -5.267 8.495 5.859 1.00 0.01 C ATOM 835 O PHE A 54 -4.908 8.833 4.748 1.00 0.02 O ATOM 836 CB PHE A 54 -7.165 7.291 4.743 1.00 1.78 C ATOM 837 CG PHE A 54 -8.558 6.768 5.020 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.735 5.638 5.828 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.675 7.412 4.467 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.024 5.152 6.082 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.964 6.926 4.723 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.137 5.796 5.529 1.00 3.39 C ATOM 0 H PHE A 54 -7.765 7.469 7.738 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.062 6.610 6.465 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.219 8.211 4.161 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.605 6.569 4.148 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.877 5.141 6.256 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.541 8.283 3.843 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.159 4.280 6.705 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.823 7.424 4.298 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.130 5.420 5.725 1.00 3.39 H new ATOM 852 N SER A 55 -4.662 8.913 6.942 1.00 0.02 N ATOM 853 CA SER A 55 -3.488 9.841 6.865 1.00 0.02 C ATOM 854 C SER A 55 -2.302 9.230 7.613 1.00 0.01 C ATOM 855 O SER A 55 -2.456 8.305 8.388 1.00 0.01 O ATOM 856 CB SER A 55 -3.863 11.176 7.510 1.00 1.90 C ATOM 857 OG SER A 55 -2.736 12.041 7.483 1.00 2.33 O ATOM 0 H SER A 55 -4.934 8.648 7.889 1.00 0.02 H new ATOM 0 HA SER A 55 -3.213 9.999 5.822 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.698 11.630 6.976 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.190 11.018 8.538 1.00 1.90 H new ATOM 0 HG SER A 55 -2.972 12.899 7.894 1.00 2.33 H new ATOM 863 N GLY A 56 -1.112 9.724 7.374 1.00 0.02 N ATOM 864 CA GLY A 56 0.090 9.162 8.056 1.00 0.02 C ATOM 865 C GLY A 56 0.646 7.989 7.238 1.00 0.02 C ATOM 866 O GLY A 56 0.367 7.858 6.062 1.00 0.00 O ATOM 0 H GLY A 56 -0.923 10.495 6.733 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.851 9.934 8.167 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.173 8.826 9.059 1.00 0.02 H new ATOM 870 N HIS A 57 1.446 7.148 7.837 1.00 0.02 N ATOM 871 CA HIS A 57 2.031 6.002 7.079 1.00 0.02 C ATOM 872 C HIS A 57 0.935 5.003 6.690 1.00 0.01 C ATOM 873 O HIS A 57 0.050 4.708 7.469 1.00 0.01 O ATOM 874 CB HIS A 57 3.080 5.304 7.946 1.00 0.00 C ATOM 875 CG HIS A 57 4.284 6.192 8.085 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.155 6.426 7.033 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.776 6.909 9.148 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.118 7.255 7.482 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.933 7.578 8.763 1.00 0.01 N ATOM 0 H HIS A 57 1.720 7.204 8.818 1.00 0.02 H new ATOM 0 HA HIS A 57 2.497 6.380 6.169 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.665 5.079 8.928 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.366 4.353 7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.332 6.947 10.132 1.00 0.01 H new ATOM 0 HE1 HIS A 57 6.939 7.614 6.879 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.516 8.186 9.338 1.00 0.01 H new ATOM 887 N MET A 58 1.000 4.474 5.486 1.00 0.02 N ATOM 888 CA MET A 58 -0.023 3.479 5.022 1.00 0.02 C ATOM 889 C MET A 58 0.662 2.142 4.703 1.00 0.01 C ATOM 890 O MET A 58 1.718 2.100 4.106 1.00 0.01 O ATOM 891 CB MET A 58 -0.706 4.010 3.759 1.00 2.61 C ATOM 892 CG MET A 58 0.331 4.180 2.647 1.00 3.46 C ATOM 893 SD MET A 58 -0.380 5.164 1.307 1.00 4.50 S ATOM 894 CE MET A 58 -1.667 3.988 0.822 1.00 5.01 C ATOM 0 H MET A 58 1.724 4.692 4.801 1.00 0.02 H new ATOM 0 HA MET A 58 -0.763 3.328 5.808 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.487 3.321 3.439 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.189 4.964 3.969 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.223 4.669 3.038 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.641 3.205 2.272 1.00 3.46 H new ATOM 0 HE1 MET A 58 -2.099 4.294 -0.131 1.00 5.01 H new ATOM 0 HE2 MET A 58 -1.232 2.994 0.721 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.446 3.967 1.584 1.00 5.01 H new ATOM 904 N TYR A 59 0.060 1.050 5.106 1.00 0.02 N ATOM 905 CA TYR A 59 0.649 -0.308 4.849 1.00 0.01 C ATOM 906 C TYR A 59 -0.435 -1.245 4.298 1.00 0.01 C ATOM 907 O TYR A 59 -1.559 -1.257 4.758 1.00 0.02 O ATOM 908 CB TYR A 59 1.174 -0.891 6.158 1.00 0.01 C ATOM 909 CG TYR A 59 2.134 0.081 6.801 1.00 0.01 C ATOM 910 CD1 TYR A 59 1.648 1.124 7.597 1.00 0.01 C ATOM 911 CD2 TYR A 59 3.512 -0.065 6.603 1.00 0.01 C ATOM 912 CE1 TYR A 59 2.537 2.021 8.196 1.00 0.01 C ATOM 913 CE2 TYR A 59 4.404 0.832 7.201 1.00 0.02 C ATOM 914 CZ TYR A 59 3.916 1.876 7.999 1.00 0.01 C ATOM 915 OH TYR A 59 4.794 2.761 8.590 1.00 0.01 O ATOM 0 H TYR A 59 -0.827 1.039 5.609 1.00 0.02 H new ATOM 0 HA TYR A 59 1.461 -0.213 4.128 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.344 -1.098 6.834 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.675 -1.840 5.969 1.00 0.01 H new ATOM 0 HD1 TYR A 59 0.585 1.236 7.749 1.00 0.01 H new ATOM 0 HD2 TYR A 59 3.887 -0.870 5.989 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.161 2.826 8.810 1.00 0.01 H new ATOM 0 HE2 TYR A 59 5.467 0.720 7.048 1.00 0.02 H new ATOM 0 HH TYR A 59 5.713 2.518 8.353 1.00 0.01 H new ATOM 925 N ILE A 60 -0.084 -2.039 3.315 1.00 0.02 N ATOM 926 CA ILE A 60 -1.062 -3.005 2.711 1.00 0.01 C ATOM 927 C ILE A 60 -0.885 -4.373 3.386 1.00 0.01 C ATOM 928 O ILE A 60 0.222 -4.847 3.547 1.00 0.01 O ATOM 929 CB ILE A 60 -0.797 -3.129 1.202 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.303 -1.874 0.483 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.530 -4.356 0.642 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.643 -0.623 1.070 1.00 1.72 C ATOM 0 H ILE A 60 0.847 -2.061 2.900 1.00 0.02 H new ATOM 0 HA ILE A 60 -2.081 -2.649 2.863 1.00 0.01 H new ATOM 0 HB ILE A 60 0.275 -3.239 1.040 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.083 -1.943 -0.582 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.386 -1.802 0.581 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.338 -4.438 -0.428 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.172 -5.254 1.145 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.601 -4.248 0.811 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.012 0.261 0.550 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.885 -0.547 2.130 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.438 -0.691 0.948 1.00 1.72 H new ATOM 944 N LEU A 61 -1.966 -4.997 3.804 1.00 0.01 N ATOM 945 CA LEU A 61 -1.867 -6.326 4.499 1.00 0.01 C ATOM 946 C LEU A 61 -2.643 -7.413 3.705 1.00 0.01 C ATOM 947 O LEU A 61 -3.859 -7.398 3.700 1.00 0.00 O ATOM 948 CB LEU A 61 -2.497 -6.177 5.912 1.00 0.01 C ATOM 949 CG LEU A 61 -1.423 -6.284 7.010 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.978 -5.739 8.326 1.00 0.01 C ATOM 951 CD2 LEU A 61 -1.029 -7.751 7.209 1.00 0.01 C ATOM 0 H LEU A 61 -2.916 -4.642 3.693 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.822 -6.628 4.568 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -3.005 -5.216 5.988 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -3.252 -6.949 6.061 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.550 -5.706 6.708 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -1.216 -5.816 9.102 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.260 -4.694 8.197 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.854 -6.318 8.619 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -0.269 -7.821 7.987 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.906 -8.326 7.506 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.631 -8.151 6.276 1.00 0.01 H new ATOM 963 N PRO A 62 -1.982 -8.371 3.066 1.00 0.02 N ATOM 964 CA PRO A 62 -2.719 -9.448 2.344 1.00 0.01 C ATOM 965 C PRO A 62 -3.275 -10.469 3.349 1.00 0.00 C ATOM 966 O PRO A 62 -2.925 -10.450 4.513 1.00 0.02 O ATOM 967 CB PRO A 62 -1.625 -10.061 1.456 1.00 1.47 C ATOM 968 CG PRO A 62 -0.258 -9.614 2.009 1.00 1.29 C ATOM 969 CD PRO A 62 -0.490 -8.454 3.000 1.00 0.82 C ATOM 0 HA PRO A 62 -3.580 -9.100 1.773 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.699 -11.148 1.456 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.744 -9.733 0.423 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.240 -10.446 2.508 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.394 -9.294 1.196 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -0.052 -8.662 3.976 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -0.048 -7.523 2.644 1.00 0.82 H new ATOM 977 N GLN A 63 -4.135 -11.357 2.926 1.00 0.02 N ATOM 978 CA GLN A 63 -4.699 -12.357 3.878 1.00 0.00 C ATOM 979 C GLN A 63 -3.569 -13.071 4.625 1.00 0.00 C ATOM 980 O GLN A 63 -2.548 -13.393 4.050 1.00 0.02 O ATOM 981 CB GLN A 63 -5.518 -13.390 3.094 1.00 1.27 C ATOM 982 CG GLN A 63 -6.359 -14.238 4.055 1.00 1.67 C ATOM 983 CD GLN A 63 -5.457 -15.217 4.807 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.647 -15.897 4.208 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.561 -15.317 6.102 1.00 3.04 N ATOM 0 H GLN A 63 -4.470 -11.433 1.966 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.335 -11.845 4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.168 -12.884 2.380 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.852 -14.032 2.518 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.880 -13.593 4.762 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.121 -14.785 3.500 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.241 -14.746 6.605 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.963 -15.966 6.613 1.00 3.04 H new ATOM 994 N GLY A 64 -3.733 -13.328 5.900 1.00 0.02 N ATOM 995 CA GLY A 64 -2.650 -14.029 6.654 1.00 0.01 C ATOM 996 C GLY A 64 -2.725 -13.695 8.148 1.00 0.02 C ATOM 997 O GLY A 64 -3.602 -12.986 8.603 1.00 0.02 O ATOM 0 H GLY A 64 -4.560 -13.086 6.445 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.740 -15.106 6.512 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.677 -13.736 6.259 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.797 -14.209 8.914 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.776 -13.943 10.387 1.00 0.02 C ATOM 1003 C GLU A 65 -0.461 -13.256 10.758 1.00 0.02 C ATOM 1004 O GLU A 65 0.610 -13.702 10.396 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.874 -15.277 11.134 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.893 -15.016 12.642 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.353 -16.277 13.374 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -1.732 -17.309 13.181 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -3.318 -16.190 14.116 1.00 0.96 O ATOM 0 H GLU A 65 -1.043 -14.809 8.579 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.614 -13.301 10.659 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.777 -15.808 10.835 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.029 -15.914 10.875 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.899 -14.727 12.984 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.562 -14.186 12.869 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.543 -12.178 11.498 1.00 0.02 N ATOM 1017 CA TYR A 66 0.678 -11.447 11.937 1.00 0.02 C ATOM 1018 C TYR A 66 0.667 -11.403 13.476 1.00 0.02 C ATOM 1019 O TYR A 66 0.113 -10.488 14.058 1.00 0.02 O ATOM 1020 CB TYR A 66 0.618 -10.019 11.387 1.00 0.01 C ATOM 1021 CG TYR A 66 0.630 -10.066 9.875 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.502 -10.512 9.178 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.772 -9.673 9.169 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.490 -10.564 7.778 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.785 -9.725 7.771 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.654 -10.171 7.074 1.00 0.02 C ATOM 1027 OH TYR A 66 0.667 -10.220 5.695 1.00 0.01 O ATOM 0 H TYR A 66 -1.421 -11.770 11.820 1.00 0.02 H new ATOM 0 HA TYR A 66 1.582 -11.938 11.576 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.284 -9.518 11.740 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.467 -9.440 11.751 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.385 -10.816 9.721 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.645 -9.329 9.704 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.363 -10.907 7.242 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.668 -9.421 7.228 1.00 0.02 H new ATOM 0 HH TYR A 66 1.537 -9.912 5.365 1.00 0.01 H new ATOM 1037 N PRO A 67 1.260 -12.379 14.137 1.00 0.01 N ATOM 1038 CA PRO A 67 1.271 -12.401 15.624 1.00 0.02 C ATOM 1039 C PRO A 67 2.045 -11.230 16.245 1.00 0.02 C ATOM 1040 O PRO A 67 2.041 -11.068 17.448 1.00 0.02 O ATOM 1041 CB PRO A 67 1.946 -13.753 15.943 1.00 0.02 C ATOM 1042 CG PRO A 67 2.161 -14.509 14.620 1.00 0.02 C ATOM 1043 CD PRO A 67 1.935 -13.523 13.464 1.00 0.01 C ATOM 0 HA PRO A 67 0.269 -12.296 16.041 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.899 -13.592 16.448 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.322 -14.339 16.618 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.169 -14.921 14.577 1.00 0.02 H new ATOM 0 HG3 PRO A 67 1.470 -15.348 14.545 1.00 0.02 H new ATOM 0 HD2 PRO A 67 2.874 -13.222 12.999 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.314 -13.955 12.679 1.00 0.01 H new ATOM 1051 N GLU A 68 2.684 -10.392 15.464 1.00 0.01 N ATOM 1052 CA GLU A 68 3.415 -9.235 16.058 1.00 0.01 C ATOM 1053 C GLU A 68 3.491 -8.140 14.990 1.00 0.03 C ATOM 1054 O GLU A 68 3.467 -8.400 13.803 1.00 0.02 O ATOM 1055 CB GLU A 68 4.846 -9.640 16.438 1.00 0.69 C ATOM 1056 CG GLU A 68 4.826 -10.791 17.447 1.00 1.09 C ATOM 1057 CD GLU A 68 6.236 -11.007 17.997 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.956 -10.030 18.118 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.573 -12.145 18.284 1.00 1.55 O ATOM 0 H GLU A 68 2.729 -10.461 14.447 1.00 0.01 H new ATOM 0 HA GLU A 68 2.896 -8.893 16.953 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.395 -9.940 15.545 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.372 -8.785 16.863 1.00 0.69 H new ATOM 0 HG2 GLU A 68 4.137 -10.564 18.261 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.466 -11.702 16.969 1.00 1.09 H new ATOM 1066 N TYR A 69 3.531 -6.910 15.413 1.00 0.02 N ATOM 1067 CA TYR A 69 3.538 -5.786 14.437 1.00 0.02 C ATOM 1068 C TYR A 69 4.750 -5.840 13.499 1.00 0.01 C ATOM 1069 O TYR A 69 4.655 -5.520 12.329 1.00 0.01 O ATOM 1070 CB TYR A 69 3.475 -4.449 15.189 1.00 0.02 C ATOM 1071 CG TYR A 69 4.833 -4.095 15.753 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.197 -4.536 17.032 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.723 -3.321 14.999 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.453 -4.201 17.555 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.978 -2.986 15.523 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.343 -3.426 16.800 1.00 0.02 C ATOM 1077 OH TYR A 69 8.580 -3.095 17.318 1.00 0.01 O ATOM 0 H TYR A 69 3.559 -6.633 16.394 1.00 0.02 H new ATOM 0 HA TYR A 69 2.656 -5.882 13.804 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.138 -3.661 14.515 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.745 -4.513 15.996 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.511 -5.133 17.614 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.442 -2.982 14.013 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.735 -4.540 18.541 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.664 -2.388 14.941 1.00 0.02 H new ATOM 0 HH TYR A 69 9.158 -3.887 17.317 1.00 0.01 H new ATOM 1087 N GLN A 70 5.892 -6.225 14.002 1.00 0.01 N ATOM 1088 CA GLN A 70 7.115 -6.289 13.148 1.00 0.02 C ATOM 1089 C GLN A 70 6.932 -7.280 11.988 1.00 0.01 C ATOM 1090 O GLN A 70 7.587 -7.183 10.970 1.00 0.02 O ATOM 1091 CB GLN A 70 8.297 -6.748 14.002 1.00 0.01 C ATOM 1092 CG GLN A 70 8.437 -5.835 15.219 1.00 0.01 C ATOM 1093 CD GLN A 70 9.537 -6.373 16.139 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.865 -5.762 17.136 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.127 -7.498 15.842 1.00 0.02 N ATOM 0 H GLN A 70 6.032 -6.500 14.974 1.00 0.01 H new ATOM 0 HA GLN A 70 7.297 -5.297 12.735 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.147 -7.779 14.324 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.214 -6.728 13.413 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.679 -4.821 14.900 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.491 -5.783 15.758 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.853 -8.012 15.005 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.863 -7.863 16.447 1.00 0.02 H new ATOM 1104 N ARG A 71 6.043 -8.230 12.135 1.00 0.01 N ATOM 1105 CA ARG A 71 5.838 -9.212 11.027 1.00 0.02 C ATOM 1106 C ARG A 71 5.106 -8.521 9.877 1.00 0.01 C ATOM 1107 O ARG A 71 5.079 -8.992 8.757 1.00 0.02 O ATOM 1108 CB ARG A 71 5.034 -10.422 11.514 1.00 0.34 C ATOM 1109 CG ARG A 71 4.920 -11.443 10.360 1.00 0.72 C ATOM 1110 CD ARG A 71 4.569 -12.853 10.882 1.00 1.04 C ATOM 1111 NE ARG A 71 5.318 -13.878 10.088 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.346 -13.835 8.782 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.584 -13.001 8.129 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.103 -14.667 8.120 1.00 3.42 N ATOM 0 H ARG A 71 5.459 -8.367 12.960 1.00 0.01 H new ATOM 0 HA ARG A 71 6.809 -9.570 10.683 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.523 -10.878 12.374 1.00 0.34 H new ATOM 0 HB3 ARG A 71 4.042 -10.109 11.840 1.00 0.34 H new ATOM 0 HG2 ARG A 71 4.155 -11.114 9.656 1.00 0.72 H new ATOM 0 HG3 ARG A 71 5.862 -11.481 9.812 1.00 0.72 H new ATOM 0 HD2 ARG A 71 4.826 -12.936 11.938 1.00 1.04 H new ATOM 0 HD3 ARG A 71 3.496 -13.026 10.800 1.00 1.04 H new ATOM 0 HE ARG A 71 5.815 -14.623 10.575 1.00 1.67 H new ATOM 0 HH11 ARG A 71 3.960 -12.375 8.638 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.613 -12.975 7.110 1.00 2.54 H new ATOM 0 HH21 ARG A 71 6.671 -15.349 8.622 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.126 -14.635 7.101 1.00 3.42 H new ATOM 1128 N TRP A 72 4.516 -7.395 10.166 1.00 0.02 N ATOM 1129 CA TRP A 72 3.771 -6.615 9.134 1.00 0.01 C ATOM 1130 C TRP A 72 4.626 -5.384 8.794 1.00 0.01 C ATOM 1131 O TRP A 72 4.202 -4.469 8.120 1.00 0.02 O ATOM 1132 CB TRP A 72 2.396 -6.248 9.741 1.00 0.02 C ATOM 1133 CG TRP A 72 1.917 -4.898 9.307 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.605 -4.546 8.040 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.667 -3.727 10.134 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.192 -3.227 8.035 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.214 -2.678 9.305 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.795 -3.475 11.514 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.896 -1.423 9.823 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.476 -2.213 12.038 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.028 -1.188 11.195 1.00 0.02 C ATOM 0 H TRP A 72 4.518 -6.972 11.094 1.00 0.02 H new ATOM 0 HA TRP A 72 3.593 -7.167 8.211 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.662 -7.000 9.451 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.465 -6.273 10.829 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.668 -5.189 7.175 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.906 -2.720 7.197 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.141 -4.258 12.173 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.550 -0.637 9.168 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.577 -2.031 13.098 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.785 -0.218 11.604 1.00 0.02 H new ATOM 1152 N MET A 73 5.840 -5.384 9.271 1.00 0.02 N ATOM 1153 CA MET A 73 6.776 -4.250 9.008 1.00 0.02 C ATOM 1154 C MET A 73 6.227 -2.945 9.595 1.00 0.01 C ATOM 1155 O MET A 73 6.602 -1.861 9.189 1.00 0.02 O ATOM 1156 CB MET A 73 6.981 -4.080 7.497 1.00 0.02 C ATOM 1157 CG MET A 73 7.218 -5.446 6.850 1.00 0.01 C ATOM 1158 SD MET A 73 7.581 -5.226 5.091 1.00 0.01 S ATOM 1159 CE MET A 73 5.871 -5.263 4.500 1.00 0.01 C ATOM 0 H MET A 73 6.231 -6.134 9.842 1.00 0.02 H new ATOM 0 HA MET A 73 7.729 -4.477 9.485 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.107 -3.604 7.053 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.831 -3.425 7.307 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.047 -5.955 7.342 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.338 -6.077 6.974 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.858 -5.142 3.417 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.415 -6.217 4.764 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.309 -4.452 4.963 1.00 0.01 H new ATOM 1169 N GLY A 74 5.345 -3.045 10.556 1.00 0.02 N ATOM 1170 CA GLY A 74 4.773 -1.819 11.178 1.00 0.02 C ATOM 1171 C GLY A 74 5.900 -0.996 11.796 1.00 0.01 C ATOM 1172 O GLY A 74 6.839 -1.535 12.346 1.00 0.01 O ATOM 0 H GLY A 74 4.997 -3.926 10.936 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.245 -1.229 10.429 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.044 -2.091 11.942 1.00 0.02 H new ATOM 1176 N LEU A 75 5.799 0.304 11.749 1.00 0.02 N ATOM 1177 CA LEU A 75 6.854 1.150 12.381 1.00 0.02 C ATOM 1178 C LEU A 75 6.586 1.185 13.892 1.00 0.01 C ATOM 1179 O LEU A 75 7.494 1.268 14.695 1.00 0.02 O ATOM 1180 CB LEU A 75 6.808 2.564 11.792 1.00 0.55 C ATOM 1181 CG LEU A 75 7.971 3.410 12.336 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.311 2.930 11.752 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.741 4.877 11.951 1.00 0.42 C ATOM 0 H LEU A 75 5.037 0.816 11.304 1.00 0.02 H new ATOM 0 HA LEU A 75 7.845 0.738 12.189 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.864 2.514 10.705 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.858 3.038 12.041 1.00 0.55 H new ATOM 0 HG LEU A 75 8.010 3.306 13.420 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.121 3.542 12.149 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.475 1.888 12.026 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.288 3.020 10.666 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.561 5.486 12.332 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.697 4.966 10.865 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.801 5.223 12.381 1.00 0.42 H new ATOM 1195 N ASN A 76 5.339 1.090 14.279 1.00 0.01 N ATOM 1196 CA ASN A 76 4.964 1.077 15.717 1.00 0.02 C ATOM 1197 C ASN A 76 3.589 0.409 15.805 1.00 0.02 C ATOM 1198 O ASN A 76 3.098 -0.121 14.827 1.00 0.02 O ATOM 1199 CB ASN A 76 4.893 2.510 16.250 1.00 0.02 C ATOM 1200 CG ASN A 76 6.133 3.288 15.801 1.00 0.02 C ATOM 1201 OD1 ASN A 76 7.223 3.042 16.276 1.00 0.01 O ATOM 1202 ND2 ASN A 76 6.009 4.223 14.897 1.00 0.02 N ATOM 0 H ASN A 76 4.549 1.019 13.638 1.00 0.01 H new ATOM 0 HA ASN A 76 5.699 0.537 16.314 1.00 0.02 H new ATOM 0 HB2 ASN A 76 3.991 3.001 15.884 1.00 0.02 H new ATOM 0 HB3 ASN A 76 4.831 2.501 17.338 1.00 0.02 H new ATOM 0 HD21 ASN A 76 6.828 4.747 14.590 1.00 0.02 H new ATOM 0 HD22 ASN A 76 5.093 4.429 14.499 1.00 0.02 H new ATOM 1209 N ASP A 77 2.960 0.406 16.953 1.00 0.01 N ATOM 1210 CA ASP A 77 1.621 -0.254 17.070 1.00 0.01 C ATOM 1211 C ASP A 77 0.502 0.786 16.958 1.00 0.01 C ATOM 1212 O ASP A 77 -0.569 0.602 17.503 1.00 0.01 O ATOM 1213 CB ASP A 77 1.519 -0.944 18.432 1.00 0.01 C ATOM 1214 CG ASP A 77 2.757 -1.812 18.658 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.949 -2.746 17.896 1.00 0.01 O ATOM 1216 OD2 ASP A 77 3.496 -1.526 19.586 1.00 0.02 O ATOM 0 H ASP A 77 3.312 0.829 17.811 1.00 0.01 H new ATOM 0 HA ASP A 77 1.515 -0.982 16.266 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.435 -0.199 19.223 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.619 -1.557 18.474 1.00 0.01 H new ATOM 1221 N ARG A 78 0.737 1.883 16.275 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.323 2.937 16.159 1.00 0.01 C ATOM 1223 C ARG A 78 -1.103 2.782 14.848 1.00 0.02 C ATOM 1224 O ARG A 78 -0.543 2.829 13.771 1.00 0.02 O ATOM 1225 CB ARG A 78 0.335 4.324 16.212 1.00 0.43 C ATOM 1226 CG ARG A 78 0.758 4.662 17.659 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.381 5.396 18.396 1.00 1.00 C ATOM 1228 NE ARG A 78 -1.701 4.954 17.863 1.00 1.30 N ATOM 1229 CZ ARG A 78 -2.790 5.189 18.545 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.720 5.803 19.695 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -3.948 4.807 18.078 1.00 3.20 N ATOM 0 H ARG A 78 1.612 2.093 15.795 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.022 2.827 16.988 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.206 4.346 15.557 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.360 5.078 15.844 1.00 0.43 H new ATOM 0 HG2 ARG A 78 1.014 3.747 18.193 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.652 5.285 17.647 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -0.324 5.192 19.465 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -0.271 6.473 18.271 1.00 1.00 H new ATOM 0 HE ARG A 78 -1.754 4.469 16.967 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -1.815 6.099 20.061 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -3.570 5.987 20.228 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -4.002 4.325 17.181 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -4.798 4.990 18.611 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.398 2.629 14.937 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.246 2.505 13.711 1.00 0.01 C ATOM 1247 C LEU A 79 -4.571 3.222 13.982 1.00 0.01 C ATOM 1248 O LEU A 79 -5.259 2.918 14.936 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.503 1.027 13.406 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.228 0.376 12.842 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.483 -1.119 12.630 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.831 1.031 11.497 1.00 2.61 C ATOM 0 H LEU A 79 -2.912 2.584 15.817 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.744 2.951 12.853 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.815 0.509 14.313 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.318 0.932 12.688 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.412 0.520 13.550 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.584 -1.588 12.230 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.742 -1.583 13.582 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.305 -1.252 11.927 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.927 0.557 11.114 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.640 0.904 10.778 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.646 2.094 11.651 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.911 4.205 13.180 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.170 4.987 13.416 1.00 0.02 C ATOM 1266 C GLY A 80 -7.253 4.689 12.369 1.00 0.02 C ATOM 1267 O GLY A 80 -8.409 4.985 12.589 1.00 0.01 O ATOM 0 H GLY A 80 -4.369 4.501 12.368 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.556 4.757 14.409 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -5.940 6.052 13.403 1.00 0.02 H new ATOM 1271 N SER A 81 -6.923 4.121 11.236 1.00 0.01 N ATOM 1272 CA SER A 81 -8.001 3.849 10.224 1.00 0.01 C ATOM 1273 C SER A 81 -7.602 2.702 9.301 1.00 0.02 C ATOM 1274 O SER A 81 -6.438 2.419 9.098 1.00 0.01 O ATOM 1275 CB SER A 81 -8.236 5.106 9.390 1.00 0.01 C ATOM 1276 OG SER A 81 -8.904 6.069 10.181 1.00 0.01 O ATOM 0 H SER A 81 -5.980 3.838 10.968 1.00 0.01 H new ATOM 0 HA SER A 81 -8.913 3.570 10.753 1.00 0.01 H new ATOM 0 HB2 SER A 81 -7.286 5.505 9.035 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.830 4.866 8.508 1.00 0.01 H new ATOM 0 HG SER A 81 -9.763 6.294 9.766 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.583 2.038 8.728 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.279 0.904 7.807 1.00 0.01 C ATOM 1284 C CYS A 82 -9.305 0.850 6.668 1.00 0.01 C ATOM 1285 O CYS A 82 -10.468 1.162 6.843 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.311 -0.412 8.587 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.395 -0.215 10.137 1.00 0.02 S ATOM 0 H CYS A 82 -9.575 2.235 8.861 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.287 1.054 7.380 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.342 -0.699 8.795 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.871 -1.212 7.991 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.450 0.663 9.974 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.880 0.432 5.504 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.815 0.329 4.336 1.00 0.01 C ATOM 1295 C ARG A 83 -9.566 -0.998 3.624 1.00 0.01 C ATOM 1296 O ARG A 83 -8.444 -1.440 3.488 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.529 1.448 3.330 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.562 2.810 4.019 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.392 3.901 2.959 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.099 3.700 2.245 1.00 0.01 N ATOM 1301 CZ ARG A 83 -7.879 4.304 1.110 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.793 5.081 0.598 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -6.748 4.129 0.487 1.00 0.01 N ATOM 0 H ARG A 83 -7.918 0.155 5.308 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.840 0.403 4.699 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.553 1.290 2.870 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.267 1.422 2.529 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.505 2.942 4.549 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.767 2.877 4.761 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.220 3.868 2.251 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.412 4.885 3.427 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.386 3.090 2.644 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -9.679 5.216 1.085 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.622 5.554 -0.289 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.034 3.520 0.887 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.576 4.601 -0.401 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.606 -1.641 3.163 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.418 -2.935 2.458 1.00 0.01 C ATOM 1319 C ALA A 84 -9.935 -2.656 1.036 1.00 0.01 C ATOM 1320 O ALA A 84 -10.509 -1.864 0.317 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.749 -3.688 2.394 1.00 0.43 C ATOM 0 H ALA A 84 -11.572 -1.325 3.245 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.686 -3.539 2.994 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.606 -4.636 1.876 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.109 -3.878 3.405 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.481 -3.087 1.855 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.895 -3.327 0.622 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.375 -3.137 -0.760 1.00 0.01 C ATOM 1329 C VAL A 85 -9.104 -4.117 -1.680 1.00 0.01 C ATOM 1330 O VAL A 85 -9.080 -5.314 -1.461 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.866 -3.409 -0.794 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.303 -2.987 -2.154 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.173 -2.603 0.312 1.00 1.12 C ATOM 0 H VAL A 85 -8.380 -4.003 1.186 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.546 -2.112 -1.090 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.687 -4.473 -0.636 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.230 -3.180 -2.179 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.793 -3.557 -2.943 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.484 -1.923 -2.309 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.101 -2.797 0.286 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.353 -1.540 0.154 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.572 -2.899 1.282 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.744 -3.636 -2.710 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.465 -4.553 -3.638 1.00 0.01 C ATOM 1345 C HIS A 86 -9.505 -4.954 -4.753 1.00 0.01 C ATOM 1346 O HIS A 86 -8.813 -4.134 -5.323 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.675 -3.826 -4.234 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.333 -2.998 -3.166 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -11.886 -1.728 -2.836 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.403 -3.246 -2.344 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.680 -1.263 -1.853 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.621 -2.149 -1.516 1.00 1.71 N ATOM 0 H HIS A 86 -9.799 -2.646 -2.950 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.812 -5.438 -3.105 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.360 -3.190 -5.061 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.384 -4.548 -4.639 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -13.987 -4.154 -2.340 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.569 -0.292 -1.393 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.344 -2.044 -0.804 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.460 -6.222 -5.064 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.545 -6.714 -6.134 1.00 0.01 C ATOM 1362 C LEU A 87 -9.342 -6.901 -7.422 1.00 0.01 C ATOM 1363 O LEU A 87 -10.450 -7.400 -7.408 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.948 -8.062 -5.697 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.678 -8.053 -4.188 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.013 -9.371 -3.791 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.753 -6.882 -3.830 1.00 1.34 C ATOM 0 H LEU A 87 -10.024 -6.945 -4.617 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.743 -5.996 -6.303 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.635 -8.871 -5.947 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.022 -8.251 -6.239 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.620 -7.938 -3.651 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.818 -9.372 -2.719 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.674 -10.201 -4.040 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.073 -9.481 -4.331 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.565 -6.882 -2.756 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.808 -6.988 -4.363 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.227 -5.943 -4.116 1.00 1.34 H new ATOM 1379 N SER A 88 -8.772 -6.531 -8.540 1.00 0.01 N ATOM 1380 CA SER A 88 -9.460 -6.705 -9.851 1.00 0.01 C ATOM 1381 C SER A 88 -8.712 -7.763 -10.659 1.00 0.01 C ATOM 1382 O SER A 88 -7.531 -7.617 -10.906 1.00 0.01 O ATOM 1383 CB SER A 88 -9.454 -5.377 -10.613 1.00 0.81 C ATOM 1384 OG SER A 88 -8.152 -4.809 -10.560 1.00 1.08 O ATOM 0 H SER A 88 -7.845 -6.110 -8.599 1.00 0.01 H new ATOM 0 HA SER A 88 -10.491 -7.019 -9.692 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.751 -5.538 -11.649 1.00 0.81 H new ATOM 0 HB3 SER A 88 -10.180 -4.691 -10.177 1.00 0.81 H new ATOM 0 HG SER A 88 -7.482 -5.514 -10.684 1.00 1.08 H new ATOM 1390 N SER A 89 -9.369 -8.791 -11.127 1.00 0.01 N ATOM 1391 CA SER A 89 -8.658 -9.799 -11.975 1.00 0.01 C ATOM 1392 C SER A 89 -9.056 -9.493 -13.414 1.00 0.01 C ATOM 1393 O SER A 89 -9.467 -8.384 -13.699 1.00 0.01 O ATOM 1394 CB SER A 89 -9.113 -11.212 -11.606 1.00 0.43 C ATOM 1395 OG SER A 89 -8.475 -12.150 -12.460 1.00 1.26 O ATOM 0 H SER A 89 -10.358 -8.978 -10.962 1.00 0.01 H new ATOM 0 HA SER A 89 -7.579 -9.747 -11.833 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.868 -11.425 -10.566 1.00 0.43 H new ATOM 0 HB3 SER A 89 -10.196 -11.294 -11.701 1.00 0.43 H new ATOM 0 HG SER A 89 -7.581 -11.824 -12.694 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.997 -10.435 -14.322 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.433 -10.142 -15.725 1.00 0.00 C ATOM 1403 C GLY A 90 -8.470 -10.717 -16.763 1.00 0.00 C ATOM 1404 O GLY A 90 -8.893 -11.354 -17.707 1.00 0.01 O ATOM 0 H GLY A 90 -8.669 -11.387 -14.156 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.428 -10.555 -15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.510 -9.063 -15.862 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.183 -10.525 -16.617 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.259 -11.102 -17.633 1.00 0.00 C ATOM 1410 C GLY A 91 -4.788 -10.788 -17.329 1.00 0.00 C ATOM 1411 O GLY A 91 -4.159 -11.463 -16.538 1.00 0.01 O ATOM 0 H GLY A 91 -6.743 -10.006 -15.857 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.396 -12.183 -17.673 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.516 -10.711 -18.618 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.227 -9.787 -17.966 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.781 -9.443 -17.729 1.00 2.31 C ATOM 1417 C GLN A 92 -2.631 -7.995 -17.259 1.00 1.91 C ATOM 1418 O GLN A 92 -3.035 -7.061 -17.921 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.005 -9.665 -19.030 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.559 -9.199 -18.852 1.00 2.86 C ATOM 1421 CD GLN A 92 0.296 -9.742 -19.996 1.00 3.70 C ATOM 1422 OE1 GLN A 92 1.410 -10.178 -19.787 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -0.181 -9.736 -21.212 1.00 4.43 N ATOM 0 H GLN A 92 -4.706 -9.191 -18.641 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.382 -10.086 -16.944 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.027 -10.720 -19.302 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.477 -9.116 -19.845 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.516 -8.110 -18.837 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.169 -9.547 -17.895 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -1.116 -9.371 -21.391 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.382 -10.097 -21.982 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.051 -7.821 -16.096 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.863 -6.445 -15.550 1.00 0.01 C ATOM 1434 C ALA A 93 -0.685 -5.779 -16.262 1.00 0.01 C ATOM 1435 O ALA A 93 0.372 -6.361 -16.408 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.565 -6.520 -14.051 1.00 2.99 C ATOM 0 H ALA A 93 -1.701 -8.574 -15.503 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.772 -5.865 -15.710 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.428 -5.513 -13.656 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.398 -7.001 -13.538 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.656 -7.099 -13.889 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.866 -4.563 -16.709 1.00 0.00 N ATOM 1443 CA LYS A 94 0.229 -3.832 -17.425 1.00 0.01 C ATOM 1444 C LYS A 94 0.358 -2.423 -16.835 1.00 0.01 C ATOM 1445 O LYS A 94 -0.628 -1.780 -16.532 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.152 -3.755 -18.906 1.00 2.49 C ATOM 1447 CG LYS A 94 1.028 -3.210 -19.721 1.00 3.43 C ATOM 1448 CD LYS A 94 0.795 -3.496 -21.209 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.493 -2.811 -21.676 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.670 -3.631 -21.275 1.00 6.36 N ATOM 0 H LYS A 94 -1.734 -4.038 -16.609 1.00 0.00 H new ATOM 0 HA LYS A 94 1.184 -4.346 -17.313 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.431 -4.744 -19.271 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.022 -3.111 -19.034 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.132 -2.137 -19.558 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.957 -3.675 -19.391 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.641 -3.136 -21.794 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.726 -4.571 -21.375 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.566 -1.815 -21.240 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.477 -2.684 -22.759 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.341 -3.687 -22.068 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.355 -4.589 -21.020 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.137 -3.191 -20.457 1.00 6.36 H new ATOM 1464 N ILE A 95 1.572 -1.943 -16.660 1.00 0.00 N ATOM 1465 CA ILE A 95 1.775 -0.571 -16.078 1.00 0.01 C ATOM 1466 C ILE A 95 2.687 0.246 -16.996 1.00 0.01 C ATOM 1467 O ILE A 95 3.639 -0.253 -17.570 1.00 0.01 O ATOM 1468 CB ILE A 95 2.410 -0.696 -14.689 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.788 0.698 -14.172 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.664 -1.567 -14.765 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.070 0.632 -12.669 1.00 1.09 C ATOM 0 H ILE A 95 2.430 -2.442 -16.895 1.00 0.00 H new ATOM 0 HA ILE A 95 0.813 -0.066 -15.990 1.00 0.01 H new ATOM 0 HB ILE A 95 1.694 -1.158 -14.009 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.667 1.067 -14.701 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.979 1.401 -14.369 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.109 -1.651 -13.774 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.396 -2.559 -15.128 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.382 -1.113 -15.448 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.338 1.624 -12.305 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.179 0.282 -12.147 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.894 -0.057 -12.483 1.00 1.09 H new ATOM 1483 N GLN A 96 2.414 1.524 -17.098 1.00 0.01 N ATOM 1484 CA GLN A 96 3.255 2.445 -17.922 1.00 0.01 C ATOM 1485 C GLN A 96 3.713 3.593 -17.018 1.00 0.01 C ATOM 1486 O GLN A 96 2.919 4.153 -16.291 1.00 0.00 O ATOM 1487 CB GLN A 96 2.444 2.984 -19.110 1.00 0.53 C ATOM 1488 CG GLN A 96 0.980 3.142 -18.706 1.00 0.82 C ATOM 1489 CD GLN A 96 0.295 1.773 -18.706 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.940 0.759 -18.882 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.997 1.699 -18.521 1.00 2.05 N ATOM 0 H GLN A 96 1.626 1.976 -16.634 1.00 0.01 H new ATOM 0 HA GLN A 96 4.119 1.916 -18.324 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.848 3.944 -19.432 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.526 2.303 -19.957 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.912 3.593 -17.716 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.472 3.814 -19.398 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.541 2.549 -18.373 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.462 0.791 -18.525 1.00 2.05 H new ATOM 1500 N VAL A 97 4.970 3.953 -17.045 1.00 0.01 N ATOM 1501 CA VAL A 97 5.461 5.076 -16.174 1.00 0.01 C ATOM 1502 C VAL A 97 6.147 6.134 -17.041 1.00 0.01 C ATOM 1503 O VAL A 97 6.729 5.836 -18.067 1.00 0.01 O ATOM 1504 CB VAL A 97 6.465 4.525 -15.159 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.724 3.714 -14.094 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.471 3.624 -15.875 1.00 1.03 C ATOM 0 H VAL A 97 5.683 3.520 -17.632 1.00 0.01 H new ATOM 0 HA VAL A 97 4.618 5.527 -15.651 1.00 0.01 H new ATOM 0 HB VAL A 97 6.991 5.353 -14.684 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.440 3.322 -13.372 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.006 4.355 -13.582 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.197 2.886 -14.568 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.186 3.231 -15.152 1.00 1.03 H new ATOM 0 HG22 VAL A 97 6.944 2.797 -16.351 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.001 4.201 -16.633 1.00 1.03 H new ATOM 1516 N PHE A 98 6.054 7.385 -16.640 1.00 0.01 N ATOM 1517 CA PHE A 98 6.668 8.499 -17.437 1.00 0.01 C ATOM 1518 C PHE A 98 7.756 9.216 -16.629 1.00 0.01 C ATOM 1519 O PHE A 98 7.646 9.414 -15.435 1.00 0.01 O ATOM 1520 CB PHE A 98 5.577 9.508 -17.809 1.00 0.25 C ATOM 1521 CG PHE A 98 4.690 8.928 -18.889 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.817 7.876 -18.586 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.736 9.445 -20.191 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.992 7.341 -19.584 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.911 8.911 -21.186 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.039 7.859 -20.883 1.00 0.69 C ATOM 0 H PHE A 98 5.576 7.682 -15.789 1.00 0.01 H new ATOM 0 HA PHE A 98 7.121 8.076 -18.334 1.00 0.01 H new ATOM 0 HB2 PHE A 98 4.982 9.754 -16.930 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.030 10.436 -18.157 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.780 7.477 -17.583 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.409 10.256 -20.426 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.320 6.529 -19.351 1.00 0.56 H new ATOM 0 HE2 PHE A 98 3.947 9.311 -22.189 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.402 7.447 -21.652 1.00 0.69 H new ATOM 1536 N GLU A 99 8.820 9.571 -17.293 1.00 0.01 N ATOM 1537 CA GLU A 99 9.960 10.245 -16.603 1.00 0.01 C ATOM 1538 C GLU A 99 9.560 11.632 -16.083 1.00 0.01 C ATOM 1539 O GLU A 99 10.098 12.097 -15.096 1.00 0.01 O ATOM 1540 CB GLU A 99 11.131 10.392 -17.577 1.00 0.01 C ATOM 1541 CG GLU A 99 12.351 10.927 -16.828 1.00 0.01 C ATOM 1542 CD GLU A 99 13.581 10.845 -17.734 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.456 11.175 -18.901 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.626 10.451 -17.245 1.00 0.02 O ATOM 0 H GLU A 99 8.952 9.423 -18.294 1.00 0.01 H new ATOM 0 HA GLU A 99 10.250 9.630 -15.751 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.363 9.429 -18.032 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.862 11.070 -18.387 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.180 11.959 -16.522 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.516 10.348 -15.919 1.00 0.01 H new ATOM 1551 N LYS A 100 8.632 12.303 -16.732 1.00 0.01 N ATOM 1552 CA LYS A 100 8.214 13.671 -16.263 1.00 0.01 C ATOM 1553 C LYS A 100 6.737 13.665 -15.857 1.00 0.01 C ATOM 1554 O LYS A 100 6.022 12.706 -16.061 1.00 0.01 O ATOM 1555 CB LYS A 100 8.427 14.691 -17.385 1.00 0.94 C ATOM 1556 CG LYS A 100 9.924 14.961 -17.552 1.00 1.63 C ATOM 1557 CD LYS A 100 10.139 15.958 -18.692 1.00 2.19 C ATOM 1558 CE LYS A 100 11.567 16.507 -18.633 1.00 2.84 C ATOM 1559 NZ LYS A 100 11.688 17.456 -17.490 1.00 3.18 N ATOM 0 H LYS A 100 8.147 11.965 -17.563 1.00 0.01 H new ATOM 0 HA LYS A 100 8.821 13.944 -15.400 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.008 14.314 -18.318 1.00 0.94 H new ATOM 0 HB3 LYS A 100 7.903 15.618 -17.152 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.338 15.357 -16.625 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.451 14.031 -17.764 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.965 15.471 -19.652 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.421 16.775 -18.614 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.278 15.689 -18.517 1.00 2.84 H new ATOM 0 HE3 LYS A 100 11.812 17.013 -19.567 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.492 18.095 -17.653 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 10.814 18.013 -17.407 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.843 16.923 -16.611 1.00 3.18 H new ATOM 1573 N GLY A 101 6.288 14.737 -15.266 1.00 0.01 N ATOM 1574 CA GLY A 101 4.867 14.826 -14.819 1.00 0.01 C ATOM 1575 C GLY A 101 3.916 14.901 -16.018 1.00 0.00 C ATOM 1576 O GLY A 101 4.323 15.083 -17.152 1.00 0.01 O ATOM 0 H GLY A 101 6.850 15.565 -15.071 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.619 13.958 -14.208 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.735 15.706 -14.190 1.00 0.01 H new ATOM 1580 N ASP A 102 2.641 14.780 -15.741 1.00 0.01 N ATOM 1581 CA ASP A 102 1.592 14.869 -16.799 1.00 0.00 C ATOM 1582 C ASP A 102 1.878 13.918 -17.956 1.00 0.00 C ATOM 1583 O ASP A 102 1.650 14.231 -19.108 1.00 0.01 O ATOM 1584 CB ASP A 102 1.523 16.304 -17.325 1.00 0.01 C ATOM 1585 CG ASP A 102 0.373 16.423 -18.326 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -0.365 15.463 -18.470 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.250 17.473 -18.934 1.00 0.01 O ATOM 0 H ASP A 102 2.277 14.619 -14.802 1.00 0.01 H new ATOM 0 HA ASP A 102 0.639 14.582 -16.355 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.374 16.999 -16.499 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.465 16.574 -17.803 1.00 0.01 H new ATOM 1592 N PHE A 103 2.344 12.743 -17.646 1.00 0.01 N ATOM 1593 CA PHE A 103 2.614 11.734 -18.701 1.00 0.01 C ATOM 1594 C PHE A 103 3.492 12.325 -19.806 1.00 0.00 C ATOM 1595 O PHE A 103 3.204 12.187 -20.978 1.00 0.01 O ATOM 1596 CB PHE A 103 1.283 11.257 -19.296 1.00 0.01 C ATOM 1597 CG PHE A 103 0.255 11.152 -18.193 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.387 10.165 -17.210 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.830 12.039 -18.152 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.563 10.065 -16.186 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.778 11.940 -17.127 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.644 10.952 -16.144 1.00 0.01 C ATOM 0 H PHE A 103 2.551 12.436 -16.695 1.00 0.01 H new ATOM 0 HA PHE A 103 3.144 10.892 -18.256 1.00 0.01 H new ATOM 0 HB2 PHE A 103 0.943 11.954 -20.062 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.414 10.290 -19.781 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.222 9.480 -17.241 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.934 12.799 -18.912 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.461 9.302 -15.428 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.612 12.625 -17.094 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.375 10.875 -15.353 1.00 0.01 H new ATOM 1612 N ASN A 104 4.578 12.956 -19.437 1.00 0.00 N ATOM 1613 CA ASN A 104 5.516 13.537 -20.450 1.00 0.01 C ATOM 1614 C ASN A 104 6.909 12.950 -20.210 1.00 0.01 C ATOM 1615 O ASN A 104 7.164 12.338 -19.192 1.00 0.01 O ATOM 1616 CB ASN A 104 5.576 15.057 -20.290 1.00 1.68 C ATOM 1617 CG ASN A 104 4.273 15.671 -20.799 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.228 15.057 -20.718 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.290 16.864 -21.325 1.00 2.38 N ATOM 0 H ASN A 104 4.859 13.096 -18.467 1.00 0.00 H new ATOM 0 HA ASN A 104 5.169 13.299 -21.456 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.730 15.318 -19.243 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.423 15.459 -20.846 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.425 17.282 -21.669 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.168 17.379 -21.393 1.00 2.38 H new ATOM 1626 N GLY A 105 7.811 13.109 -21.144 1.00 0.01 N ATOM 1627 CA GLY A 105 9.184 12.549 -20.965 1.00 0.01 C ATOM 1628 C GLY A 105 9.253 11.152 -21.582 1.00 0.01 C ATOM 1629 O GLY A 105 8.376 10.748 -22.322 1.00 0.01 O ATOM 0 H GLY A 105 7.656 13.603 -22.023 1.00 0.01 H new ATOM 0 HA2 GLY A 105 9.918 13.202 -21.436 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.433 12.502 -19.905 1.00 0.01 H new ATOM 1633 N GLN A 106 10.272 10.398 -21.273 1.00 0.01 N ATOM 1634 CA GLN A 106 10.376 9.021 -21.832 1.00 0.01 C ATOM 1635 C GLN A 106 9.393 8.116 -21.086 1.00 0.01 C ATOM 1636 O GLN A 106 9.159 8.276 -19.902 1.00 0.01 O ATOM 1637 CB GLN A 106 11.801 8.500 -21.641 1.00 0.01 C ATOM 1638 CG GLN A 106 12.005 7.252 -22.502 1.00 0.01 C ATOM 1639 CD GLN A 106 13.381 6.646 -22.206 1.00 0.01 C ATOM 1640 OE1 GLN A 106 13.834 5.767 -22.913 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.069 7.081 -21.186 1.00 0.01 N ATOM 0 H GLN A 106 11.037 10.676 -20.658 1.00 0.01 H new ATOM 0 HA GLN A 106 10.139 9.029 -22.896 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.522 9.269 -21.919 1.00 0.01 H new ATOM 0 HB3 GLN A 106 11.976 8.264 -20.591 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.222 6.522 -22.295 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.929 7.510 -23.558 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.690 7.819 -20.592 1.00 0.01 H new ATOM 0 HE22 GLN A 106 14.986 6.683 -20.983 1.00 0.01 H new ATOM 1650 N MET A 107 8.810 7.173 -21.784 1.00 0.01 N ATOM 1651 CA MET A 107 7.823 6.247 -21.147 1.00 0.01 C ATOM 1652 C MET A 107 8.343 4.809 -21.193 1.00 0.01 C ATOM 1653 O MET A 107 8.941 4.378 -22.157 1.00 0.01 O ATOM 1654 CB MET A 107 6.497 6.319 -21.914 1.00 0.00 C ATOM 1655 CG MET A 107 5.448 5.429 -21.234 1.00 0.01 C ATOM 1656 SD MET A 107 5.669 3.713 -21.773 1.00 0.01 S ATOM 1657 CE MET A 107 4.509 3.755 -23.162 1.00 0.01 C ATOM 0 H MET A 107 8.977 7.004 -22.776 1.00 0.01 H new ATOM 0 HA MET A 107 7.676 6.545 -20.109 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.144 7.349 -21.950 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.646 5.997 -22.945 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.546 5.496 -20.151 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.445 5.774 -21.485 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.487 2.779 -23.647 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.512 4.001 -22.796 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.828 4.510 -23.880 1.00 0.01 H new ATOM 1667 N TYR A 108 8.082 4.062 -20.153 1.00 0.01 N ATOM 1668 CA TYR A 108 8.507 2.629 -20.089 1.00 0.00 C ATOM 1669 C TYR A 108 7.294 1.797 -19.660 1.00 0.01 C ATOM 1670 O TYR A 108 6.556 2.167 -18.768 1.00 0.01 O ATOM 1671 CB TYR A 108 9.632 2.466 -19.061 1.00 0.54 C ATOM 1672 CG TYR A 108 10.941 2.918 -19.663 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.606 2.098 -20.582 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.488 4.154 -19.302 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.818 2.513 -21.139 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.701 4.569 -19.860 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.366 3.749 -20.777 1.00 1.82 C ATOM 1678 OH TYR A 108 14.562 4.160 -21.325 1.00 2.48 O ATOM 0 H TYR A 108 7.582 4.390 -19.327 1.00 0.01 H new ATOM 0 HA TYR A 108 8.873 2.299 -21.061 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.410 3.051 -18.169 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.705 1.424 -18.749 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.182 1.144 -20.860 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.974 4.787 -18.593 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.332 1.881 -21.848 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.124 5.523 -19.583 1.00 1.51 H new ATOM 0 HH TYR A 108 14.404 4.519 -22.223 1.00 2.48 H new ATOM 1688 N GLU A 109 7.075 0.682 -20.313 1.00 0.01 N ATOM 1689 CA GLU A 109 5.897 -0.191 -19.994 1.00 0.01 C ATOM 1690 C GLU A 109 6.370 -1.592 -19.610 1.00 0.01 C ATOM 1691 O GLU A 109 7.227 -2.165 -20.255 1.00 0.01 O ATOM 1692 CB GLU A 109 5.011 -0.267 -21.238 1.00 0.01 C ATOM 1693 CG GLU A 109 3.688 -0.955 -20.891 1.00 0.01 C ATOM 1694 CD GLU A 109 2.696 -0.755 -22.039 1.00 0.00 C ATOM 1695 OE1 GLU A 109 3.104 -0.891 -23.180 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.545 -0.469 -21.754 1.00 0.00 O ATOM 0 H GLU A 109 7.670 0.333 -21.065 1.00 0.01 H new ATOM 0 HA GLU A 109 5.339 0.226 -19.155 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.821 0.735 -21.622 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.522 -0.819 -22.027 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.853 -2.019 -20.719 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.281 -0.542 -19.968 1.00 0.01 H new ATOM 1703 N THR A 110 5.821 -2.153 -18.559 1.00 0.01 N ATOM 1704 CA THR A 110 6.249 -3.519 -18.138 1.00 0.00 C ATOM 1705 C THR A 110 5.091 -4.262 -17.463 1.00 0.01 C ATOM 1706 O THR A 110 4.191 -3.675 -16.893 1.00 0.01 O ATOM 1707 CB THR A 110 7.419 -3.416 -17.157 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.658 -4.687 -16.572 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.088 -2.402 -16.062 1.00 1.69 C ATOM 0 H THR A 110 5.099 -1.725 -17.979 1.00 0.01 H new ATOM 0 HA THR A 110 6.558 -4.072 -19.025 1.00 0.00 H new ATOM 0 HB THR A 110 8.310 -3.088 -17.692 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.408 -4.623 -15.945 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.924 -2.332 -15.366 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.908 -1.426 -16.512 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.195 -2.724 -15.526 1.00 1.69 H new ATOM 1717 N THR A 111 5.129 -5.564 -17.541 1.00 0.00 N ATOM 1718 CA THR A 111 4.064 -6.418 -16.931 1.00 0.01 C ATOM 1719 C THR A 111 4.624 -7.158 -15.709 1.00 0.01 C ATOM 1720 O THR A 111 3.999 -8.062 -15.194 1.00 0.01 O ATOM 1721 CB THR A 111 3.588 -7.437 -17.967 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.703 -8.170 -18.451 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.910 -6.707 -19.126 1.00 0.01 C ATOM 0 H THR A 111 5.869 -6.085 -18.012 1.00 0.00 H new ATOM 0 HA THR A 111 3.231 -5.790 -16.616 1.00 0.01 H new ATOM 0 HB THR A 111 2.875 -8.122 -17.507 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.401 -8.825 -19.114 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.571 -7.433 -19.865 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.055 -6.144 -18.751 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.620 -6.022 -19.590 1.00 0.01 H new ATOM 1731 N GLU A 112 5.807 -6.802 -15.262 1.00 0.01 N ATOM 1732 CA GLU A 112 6.431 -7.510 -14.090 1.00 0.01 C ATOM 1733 C GLU A 112 6.732 -6.536 -12.944 1.00 0.01 C ATOM 1734 O GLU A 112 6.779 -5.334 -13.123 1.00 0.01 O ATOM 1735 CB GLU A 112 7.744 -8.150 -14.542 1.00 0.85 C ATOM 1736 CG GLU A 112 7.469 -9.116 -15.695 1.00 1.61 C ATOM 1737 CD GLU A 112 8.792 -9.697 -16.198 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.601 -10.080 -15.369 1.00 3.07 O ATOM 1739 OE2 GLU A 112 8.973 -9.748 -17.403 1.00 3.21 O ATOM 0 H GLU A 112 6.371 -6.050 -15.658 1.00 0.01 H new ATOM 0 HA GLU A 112 5.729 -8.263 -13.731 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.447 -7.379 -14.859 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.207 -8.681 -13.711 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.810 -9.918 -15.363 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.956 -8.597 -16.505 1.00 1.61 H new ATOM 1746 N ASP A 113 6.959 -7.063 -11.770 1.00 0.01 N ATOM 1747 CA ASP A 113 7.290 -6.199 -10.599 1.00 0.01 C ATOM 1748 C ASP A 113 8.646 -5.542 -10.854 1.00 0.00 C ATOM 1749 O ASP A 113 9.470 -6.071 -11.577 1.00 0.01 O ATOM 1750 CB ASP A 113 7.384 -7.061 -9.338 1.00 0.01 C ATOM 1751 CG ASP A 113 5.984 -7.500 -8.909 1.00 0.01 C ATOM 1752 OD1 ASP A 113 5.225 -7.908 -9.771 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.696 -7.423 -7.726 1.00 0.00 O ATOM 0 H ASP A 113 6.929 -8.063 -11.571 1.00 0.01 H new ATOM 0 HA ASP A 113 6.517 -5.442 -10.463 1.00 0.01 H new ATOM 0 HB2 ASP A 113 8.007 -7.935 -9.529 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.861 -6.498 -8.536 1.00 0.01 H new ATOM 1758 N CYS A 114 8.896 -4.402 -10.247 1.00 0.01 N ATOM 1759 CA CYS A 114 10.216 -3.711 -10.422 1.00 0.01 C ATOM 1760 C CYS A 114 10.861 -3.502 -9.032 1.00 0.01 C ATOM 1761 O CYS A 114 10.364 -2.706 -8.254 1.00 0.01 O ATOM 1762 CB CYS A 114 9.971 -2.342 -11.053 1.00 0.01 C ATOM 1763 SG CYS A 114 11.494 -1.362 -10.978 1.00 0.01 S ATOM 0 H CYS A 114 8.238 -3.919 -9.635 1.00 0.01 H new ATOM 0 HA CYS A 114 10.871 -4.311 -11.055 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.651 -2.459 -12.089 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.167 -1.826 -10.528 1.00 0.01 H new ATOM 0 HG CYS A 114 12.281 -1.708 -11.953 1.00 0.01 H new ATOM 1769 N PRO A 115 11.957 -4.176 -8.703 1.00 0.01 N ATOM 1770 CA PRO A 115 12.599 -3.974 -7.372 1.00 0.01 C ATOM 1771 C PRO A 115 13.410 -2.673 -7.317 1.00 0.01 C ATOM 1772 O PRO A 115 13.499 -2.039 -6.285 1.00 0.01 O ATOM 1773 CB PRO A 115 13.507 -5.208 -7.259 1.00 0.01 C ATOM 1774 CG PRO A 115 13.729 -5.755 -8.679 1.00 0.01 C ATOM 1775 CD PRO A 115 12.626 -5.177 -9.590 1.00 0.01 C ATOM 0 HA PRO A 115 11.881 -3.880 -6.557 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.458 -4.942 -6.798 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.046 -5.965 -6.625 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.715 -5.471 -9.047 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.691 -6.844 -8.678 1.00 0.01 H new ATOM 0 HD2 PRO A 115 13.042 -4.712 -10.484 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.932 -5.948 -9.925 1.00 0.01 H new ATOM 1783 N SER A 116 14.011 -2.279 -8.407 1.00 0.01 N ATOM 1784 CA SER A 116 14.827 -1.024 -8.411 1.00 0.02 C ATOM 1785 C SER A 116 14.603 -0.283 -9.730 1.00 0.01 C ATOM 1786 O SER A 116 15.030 -0.710 -10.785 1.00 0.00 O ATOM 1787 CB SER A 116 16.307 -1.388 -8.266 1.00 0.01 C ATOM 1788 OG SER A 116 16.504 -2.073 -7.038 1.00 0.01 O ATOM 0 H SER A 116 13.974 -2.772 -9.299 1.00 0.01 H new ATOM 0 HA SER A 116 14.529 -0.383 -7.582 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.622 -2.015 -9.100 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.919 -0.487 -8.295 1.00 0.01 H new ATOM 0 HG SER A 116 17.461 -2.234 -6.903 1.00 0.01 H new ATOM 1794 N ILE A 117 13.904 0.815 -9.667 1.00 0.01 N ATOM 1795 CA ILE A 117 13.599 1.595 -10.898 1.00 0.01 C ATOM 1796 C ILE A 117 14.885 2.127 -11.537 1.00 0.01 C ATOM 1797 O ILE A 117 15.005 2.162 -12.745 1.00 0.00 O ATOM 1798 CB ILE A 117 12.676 2.768 -10.517 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.235 2.262 -10.385 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.721 3.871 -11.585 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.379 3.319 -9.684 1.00 1.83 C ATOM 0 H ILE A 117 13.527 1.210 -8.805 1.00 0.01 H new ATOM 0 HA ILE A 117 13.107 0.948 -11.624 1.00 0.01 H new ATOM 0 HB ILE A 117 13.021 3.181 -9.569 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.825 2.043 -11.371 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.217 1.331 -9.818 1.00 1.44 H new ATOM 0 HG21 ILE A 117 12.061 4.688 -11.293 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.741 4.245 -11.680 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.393 3.465 -12.542 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.355 2.956 -9.592 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.785 3.516 -8.692 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.386 4.239 -10.268 1.00 1.83 H new ATOM 1813 N MET A 118 15.825 2.574 -10.750 1.00 0.02 N ATOM 1814 CA MET A 118 17.065 3.135 -11.353 1.00 0.01 C ATOM 1815 C MET A 118 17.842 2.035 -12.068 1.00 0.01 C ATOM 1816 O MET A 118 18.408 2.252 -13.118 1.00 0.02 O ATOM 1817 CB MET A 118 17.942 3.775 -10.274 1.00 0.24 C ATOM 1818 CG MET A 118 19.002 4.659 -10.934 1.00 0.63 C ATOM 1819 SD MET A 118 20.220 5.164 -9.694 1.00 1.20 S ATOM 1820 CE MET A 118 21.373 3.789 -9.931 1.00 1.34 C ATOM 0 H MET A 118 15.789 2.575 -9.731 1.00 0.02 H new ATOM 0 HA MET A 118 16.784 3.901 -12.075 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.328 4.369 -9.597 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.421 3.001 -9.674 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.493 4.116 -11.742 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.534 5.537 -11.379 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.218 3.902 -9.252 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.864 2.848 -9.724 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.732 3.789 -10.960 1.00 1.34 H new ATOM 1830 N GLU A 119 17.876 0.852 -11.535 1.00 0.01 N ATOM 1831 CA GLU A 119 18.624 -0.227 -12.226 1.00 0.02 C ATOM 1832 C GLU A 119 17.883 -0.632 -13.502 1.00 0.02 C ATOM 1833 O GLU A 119 18.488 -0.941 -14.510 1.00 0.01 O ATOM 1834 CB GLU A 119 18.744 -1.440 -11.300 1.00 0.30 C ATOM 1835 CG GLU A 119 19.384 -1.012 -9.976 1.00 0.99 C ATOM 1836 CD GLU A 119 19.299 -2.162 -8.973 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.954 -3.257 -9.386 1.00 2.11 O ATOM 1838 OE2 GLU A 119 19.580 -1.929 -7.808 1.00 2.07 O ATOM 0 H GLU A 119 17.424 0.586 -10.660 1.00 0.01 H new ATOM 0 HA GLU A 119 19.619 0.134 -12.485 1.00 0.02 H new ATOM 0 HB2 GLU A 119 17.759 -1.870 -11.118 1.00 0.30 H new ATOM 0 HB3 GLU A 119 19.347 -2.214 -11.774 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.425 -0.732 -10.137 1.00 0.99 H new ATOM 0 HG3 GLU A 119 18.875 -0.133 -9.581 1.00 0.99 H new ATOM 1845 N GLN A 120 16.579 -0.685 -13.450 1.00 0.00 N ATOM 1846 CA GLN A 120 15.799 -1.136 -14.639 1.00 0.01 C ATOM 1847 C GLN A 120 15.605 -0.020 -15.671 1.00 0.01 C ATOM 1848 O GLN A 120 15.757 -0.237 -16.857 1.00 0.01 O ATOM 1849 CB GLN A 120 14.424 -1.624 -14.177 1.00 0.52 C ATOM 1850 CG GLN A 120 13.714 -2.323 -15.339 1.00 1.07 C ATOM 1851 CD GLN A 120 12.395 -2.916 -14.845 1.00 1.08 C ATOM 1852 OE1 GLN A 120 12.235 -3.171 -13.668 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.442 -3.156 -15.702 1.00 2.08 N ATOM 0 H GLN A 120 16.020 -0.435 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 120 16.364 -1.936 -15.117 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.533 -2.311 -13.338 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.827 -0.783 -13.825 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.527 -1.614 -16.145 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.349 -3.109 -15.747 1.00 1.07 H new ATOM 0 HE21 GLN A 120 11.578 -2.941 -16.690 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.560 -3.559 -15.385 1.00 2.08 H new ATOM 1862 N PHE A 121 15.196 1.149 -15.236 1.00 0.02 N ATOM 1863 CA PHE A 121 14.900 2.261 -16.201 1.00 0.01 C ATOM 1864 C PHE A 121 15.898 3.415 -16.098 1.00 0.01 C ATOM 1865 O PHE A 121 15.817 4.375 -16.838 1.00 0.01 O ATOM 1866 CB PHE A 121 13.492 2.784 -15.916 1.00 0.01 C ATOM 1867 CG PHE A 121 12.509 1.640 -16.024 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.267 1.044 -17.268 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.843 1.172 -14.883 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.361 -0.017 -17.373 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.937 0.109 -14.989 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.696 -0.485 -16.233 1.00 0.01 C ATOM 0 H PHE A 121 15.054 1.383 -14.253 1.00 0.02 H new ATOM 0 HA PHE A 121 14.980 1.859 -17.211 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.449 3.224 -14.920 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.233 3.571 -16.624 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.780 1.404 -18.147 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.028 1.631 -13.923 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.175 -0.475 -18.333 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.424 -0.252 -14.110 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.997 -1.304 -16.314 1.00 0.01 H new ATOM 1882 N HIS A 122 16.832 3.350 -15.192 1.00 0.01 N ATOM 1883 CA HIS A 122 17.810 4.462 -15.062 1.00 0.01 C ATOM 1884 C HIS A 122 17.067 5.750 -14.691 1.00 0.01 C ATOM 1885 O HIS A 122 17.450 6.831 -15.094 1.00 0.02 O ATOM 1886 CB HIS A 122 18.557 4.641 -16.393 1.00 0.01 C ATOM 1887 CG HIS A 122 18.757 3.299 -17.044 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.273 3.017 -18.311 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.385 2.154 -16.617 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.612 1.748 -18.601 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.291 1.175 -17.603 1.00 0.01 N ATOM 0 H HIS A 122 16.960 2.577 -14.538 1.00 0.01 H new ATOM 0 HA HIS A 122 18.533 4.232 -14.279 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.990 5.296 -17.054 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.521 5.119 -16.219 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.876 2.032 -15.663 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.365 1.252 -19.528 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.661 0.225 -17.570 1.00 0.01 H new ATOM 1899 N LEU A 123 16.006 5.644 -13.917 1.00 0.01 N ATOM 1900 CA LEU A 123 15.227 6.864 -13.505 1.00 0.01 C ATOM 1901 C LEU A 123 15.347 7.053 -11.992 1.00 0.02 C ATOM 1902 O LEU A 123 15.256 6.111 -11.231 1.00 0.01 O ATOM 1903 CB LEU A 123 13.752 6.690 -13.875 1.00 0.01 C ATOM 1904 CG LEU A 123 13.628 6.283 -15.346 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.150 6.076 -15.692 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.217 7.381 -16.242 1.00 0.01 C ATOM 0 H LEU A 123 15.645 4.763 -13.552 1.00 0.01 H new ATOM 0 HA LEU A 123 15.628 7.736 -14.021 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.296 5.931 -13.239 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.212 7.620 -13.699 1.00 0.01 H new ATOM 0 HG LEU A 123 14.176 5.355 -15.511 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.059 5.786 -16.739 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.735 5.291 -15.060 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.603 7.004 -15.523 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.126 7.086 -17.287 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.675 8.313 -16.080 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.269 7.526 -15.996 1.00 0.01 H new ATOM 1918 N ARG A 124 15.575 8.259 -11.546 1.00 0.01 N ATOM 1919 CA ARG A 124 15.726 8.504 -10.079 1.00 0.00 C ATOM 1920 C ARG A 124 14.371 8.822 -9.427 1.00 0.01 C ATOM 1921 O ARG A 124 14.217 8.703 -8.228 1.00 0.01 O ATOM 1922 CB ARG A 124 16.682 9.681 -9.859 1.00 1.67 C ATOM 1923 CG ARG A 124 16.308 10.831 -10.798 1.00 1.98 C ATOM 1924 CD ARG A 124 17.139 12.066 -10.445 1.00 2.92 C ATOM 1925 NE ARG A 124 17.031 13.068 -11.540 1.00 3.54 N ATOM 1926 CZ ARG A 124 17.409 14.301 -11.335 1.00 4.57 C ATOM 1927 NH1 ARG A 124 17.893 14.652 -10.176 1.00 5.25 N ATOM 1928 NH2 ARG A 124 17.303 15.184 -12.291 1.00 5.32 N ATOM 0 H ARG A 124 15.664 9.088 -12.134 1.00 0.01 H new ATOM 0 HA ARG A 124 16.126 7.600 -9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.632 10.014 -8.822 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.709 9.367 -10.044 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.487 10.542 -11.834 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.245 11.057 -10.709 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.788 12.497 -9.507 1.00 2.92 H new ATOM 0 HD3 ARG A 124 18.182 11.785 -10.296 1.00 2.92 H new ATOM 0 HE ARG A 124 16.662 12.792 -12.450 1.00 3.54 H new ATOM 0 HH11 ARG A 124 17.977 13.963 -9.428 1.00 5.25 H new ATOM 0 HH12 ARG A 124 18.188 15.615 -10.017 1.00 5.25 H new ATOM 0 HH21 ARG A 124 16.925 14.911 -13.198 1.00 5.32 H new ATOM 0 HH22 ARG A 124 17.598 16.147 -12.131 1.00 5.32 H new ATOM 1942 N GLU A 125 13.393 9.249 -10.188 1.00 0.01 N ATOM 1943 CA GLU A 125 12.067 9.597 -9.577 1.00 0.01 C ATOM 1944 C GLU A 125 10.926 9.330 -10.568 1.00 0.01 C ATOM 1945 O GLU A 125 11.146 9.185 -11.754 1.00 0.01 O ATOM 1946 CB GLU A 125 12.056 11.085 -9.221 1.00 0.01 C ATOM 1947 CG GLU A 125 13.074 11.357 -8.111 1.00 0.01 C ATOM 1948 CD GLU A 125 12.812 12.735 -7.503 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.185 13.715 -8.126 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.244 12.787 -6.424 1.00 0.02 O ATOM 0 H GLU A 125 13.452 9.372 -11.199 1.00 0.01 H new ATOM 0 HA GLU A 125 11.923 8.983 -8.688 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.295 11.681 -10.101 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.060 11.384 -8.895 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.002 10.589 -7.341 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.086 11.312 -8.513 1.00 0.01 H new ATOM 1957 N ILE A 126 9.702 9.294 -10.089 1.00 0.01 N ATOM 1958 CA ILE A 126 8.521 9.072 -10.986 1.00 0.01 C ATOM 1959 C ILE A 126 7.518 10.199 -10.717 1.00 0.01 C ATOM 1960 O ILE A 126 7.143 10.430 -9.585 1.00 0.01 O ATOM 1961 CB ILE A 126 7.856 7.735 -10.639 1.00 1.33 C ATOM 1962 CG1 ILE A 126 8.913 6.622 -10.548 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.812 7.382 -11.706 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.657 6.436 -11.881 1.00 1.70 C ATOM 0 H ILE A 126 9.470 9.411 -9.103 1.00 0.01 H new ATOM 0 HA ILE A 126 8.835 9.060 -12.030 1.00 0.01 H new ATOM 0 HB ILE A 126 7.362 7.827 -9.672 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.629 6.863 -9.762 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.432 5.685 -10.265 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.342 6.431 -11.455 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.053 8.163 -11.744 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.298 7.301 -12.678 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.396 5.641 -11.778 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.944 6.170 -12.661 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.159 7.365 -12.150 1.00 1.70 H new ATOM 1976 N HIS A 127 7.118 10.937 -11.729 1.00 0.01 N ATOM 1977 CA HIS A 127 6.184 12.092 -11.491 1.00 0.01 C ATOM 1978 C HIS A 127 4.778 11.857 -12.060 1.00 0.01 C ATOM 1979 O HIS A 127 3.846 12.547 -11.703 1.00 0.01 O ATOM 1980 CB HIS A 127 6.783 13.352 -12.118 1.00 0.02 C ATOM 1981 CG HIS A 127 8.263 13.387 -11.855 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.116 12.395 -12.311 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.060 14.287 -11.187 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.362 12.717 -11.915 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.384 13.860 -11.227 1.00 0.02 N ATOM 0 H HIS A 127 7.394 10.793 -12.700 1.00 0.01 H new ATOM 0 HA HIS A 127 6.073 12.204 -10.412 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.593 13.363 -13.191 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.308 14.240 -11.701 1.00 0.02 H new ATOM 0 HD2 HIS A 127 8.711 15.188 -10.705 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.238 12.122 -12.128 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.197 14.322 -10.818 1.00 0.02 H new ATOM 1993 N SER A 128 4.597 10.883 -12.910 1.00 0.01 N ATOM 1994 CA SER A 128 3.231 10.619 -13.451 1.00 0.01 C ATOM 1995 C SER A 128 3.197 9.220 -14.072 1.00 0.01 C ATOM 1996 O SER A 128 4.211 8.681 -14.475 1.00 0.01 O ATOM 1997 CB SER A 128 2.882 11.657 -14.518 1.00 0.01 C ATOM 1998 OG SER A 128 3.952 11.751 -15.450 1.00 0.01 O ATOM 0 H SER A 128 5.330 10.262 -13.252 1.00 0.01 H new ATOM 0 HA SER A 128 2.504 10.682 -12.641 1.00 0.01 H new ATOM 0 HB2 SER A 128 1.962 11.374 -15.030 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.703 12.627 -14.054 1.00 0.01 H new ATOM 0 HG SER A 128 4.736 12.141 -15.010 1.00 0.01 H new ATOM 2004 N CYS A 129 2.035 8.628 -14.145 1.00 0.01 N ATOM 2005 CA CYS A 129 1.919 7.261 -14.731 1.00 0.01 C ATOM 2006 C CYS A 129 0.438 6.914 -14.894 1.00 0.00 C ATOM 2007 O CYS A 129 -0.378 7.269 -14.063 1.00 0.01 O ATOM 2008 CB CYS A 129 2.583 6.246 -13.800 1.00 0.69 C ATOM 2009 SG CYS A 129 1.827 6.348 -12.159 1.00 1.22 S ATOM 0 H CYS A 129 1.157 9.035 -13.822 1.00 0.01 H new ATOM 0 HA CYS A 129 2.414 7.233 -15.702 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.470 5.239 -14.202 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.653 6.444 -13.732 1.00 0.69 H new ATOM 0 HG CYS A 129 0.591 6.733 -12.274 1.00 1.22 H new ATOM 2015 N LYS A 130 0.072 6.218 -15.947 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.370 5.852 -16.141 1.00 0.01 C ATOM 2017 C LYS A 130 -1.505 4.329 -16.171 1.00 0.01 C ATOM 2018 O LYS A 130 -1.284 3.674 -17.165 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.879 6.458 -17.461 1.00 0.55 C ATOM 2020 CG LYS A 130 -1.019 5.978 -18.646 1.00 0.80 C ATOM 2021 CD LYS A 130 -1.021 7.034 -19.759 1.00 0.29 C ATOM 2022 CE LYS A 130 -0.407 6.437 -21.028 1.00 0.33 C ATOM 2023 NZ LYS A 130 -0.174 7.521 -22.023 1.00 1.41 N ATOM 0 H LYS A 130 0.705 5.889 -16.676 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.966 6.246 -15.318 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -2.919 6.173 -17.621 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -1.852 7.546 -17.402 1.00 0.55 H new ATOM 0 HG2 LYS A 130 0.002 5.791 -18.313 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -1.407 5.034 -19.029 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -2.040 7.368 -19.957 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -0.454 7.910 -19.445 1.00 0.29 H new ATOM 0 HE2 LYS A 130 0.533 5.938 -20.791 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -1.072 5.681 -21.446 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 0.065 7.101 -22.944 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -1.035 8.096 -22.118 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 0.611 8.123 -21.703 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.889 3.776 -15.054 1.00 0.01 N ATOM 2038 CA VAL A 131 -2.077 2.302 -14.915 1.00 0.01 C ATOM 2039 C VAL A 131 -3.572 2.010 -14.896 1.00 0.01 C ATOM 2040 O VAL A 131 -4.321 2.707 -14.241 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.446 1.826 -13.603 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.142 2.508 -12.423 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.609 0.310 -13.485 1.00 0.01 C ATOM 0 H VAL A 131 -2.087 4.302 -14.203 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.602 1.782 -15.747 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.386 2.082 -13.594 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.692 2.169 -11.490 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.028 3.589 -12.509 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.202 2.253 -12.429 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.161 -0.033 -12.552 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.669 0.056 -13.493 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -1.113 -0.176 -14.325 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.172 -1.359 -7.249 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.690 -1.307 -7.510 1.00 0.01 C ATOM 2107 C TRP A 136 -0.026 -0.665 -6.288 1.00 0.01 C ATOM 2108 O TRP A 136 -0.577 0.246 -5.704 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.411 -0.454 -8.758 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.601 -1.273 -9.991 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.788 -1.495 -10.593 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.403 -1.970 -10.785 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.581 -2.291 -11.706 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.247 -2.608 -11.866 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.798 -2.112 -10.672 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.464 -3.358 -12.806 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.515 -2.866 -11.614 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.848 -3.487 -12.679 1.00 0.01 C ATOM 0 HA TRP A 136 -0.296 -2.309 -7.680 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.080 0.407 -8.777 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.607 -0.066 -8.723 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.743 -1.114 -10.261 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.323 -2.605 -12.331 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.321 -1.638 -9.855 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -0.054 -3.835 -13.625 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.586 -2.968 -11.518 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.405 -4.065 -13.401 1.00 0.01 H new ATOM 2129 N ILE A 137 1.156 -1.097 -5.890 1.00 0.01 N ATOM 2130 CA ILE A 137 1.833 -0.465 -4.706 1.00 0.00 C ATOM 2131 C ILE A 137 3.160 0.151 -5.144 1.00 0.01 C ATOM 2132 O ILE A 137 3.955 -0.468 -5.820 1.00 0.01 O ATOM 2133 CB ILE A 137 2.143 -1.525 -3.644 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.891 -2.334 -3.305 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.652 -0.838 -2.374 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.303 -3.585 -2.517 1.00 1.69 C ATOM 0 H ILE A 137 1.676 -1.855 -6.332 1.00 0.01 H new ATOM 0 HA ILE A 137 1.167 0.295 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 137 2.903 -2.199 -4.039 1.00 0.60 H new ATOM 0 HG12 ILE A 137 0.200 -1.730 -2.718 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.368 -2.619 -4.218 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.873 -1.590 -1.617 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.558 -0.276 -2.602 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.888 -0.158 -1.997 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.416 -4.168 -2.271 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.979 -4.190 -3.122 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.807 -3.286 -1.598 1.00 1.69 H new ATOM 2148 N PHE A 138 3.413 1.361 -4.723 1.00 0.01 N ATOM 2149 CA PHE A 138 4.698 2.054 -5.050 1.00 0.01 C ATOM 2150 C PHE A 138 5.467 2.173 -3.728 1.00 0.01 C ATOM 2151 O PHE A 138 4.875 2.411 -2.697 1.00 0.00 O ATOM 2152 CB PHE A 138 4.391 3.457 -5.622 1.00 1.11 C ATOM 2153 CG PHE A 138 4.233 3.439 -7.141 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.826 2.279 -7.831 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.493 4.610 -7.864 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.694 2.304 -9.225 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.361 4.629 -9.258 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.960 3.475 -9.938 1.00 2.49 C ATOM 0 H PHE A 138 2.770 1.912 -4.154 1.00 0.01 H new ATOM 0 HA PHE A 138 5.280 1.508 -5.793 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.477 3.841 -5.168 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.194 4.142 -5.350 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.616 1.371 -7.285 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.798 5.505 -7.342 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.385 1.413 -9.751 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.569 5.535 -9.808 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.856 3.489 -11.013 1.00 2.49 H new ATOM 2168 N TYR A 139 6.775 2.011 -3.736 1.00 0.01 N ATOM 2169 CA TYR A 139 7.564 2.119 -2.460 1.00 0.01 C ATOM 2170 C TYR A 139 8.656 3.181 -2.614 1.00 0.01 C ATOM 2171 O TYR A 139 9.205 3.378 -3.685 1.00 0.01 O ATOM 2172 CB TYR A 139 8.210 0.769 -2.139 1.00 0.01 C ATOM 2173 CG TYR A 139 7.170 -0.321 -2.220 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.797 -0.835 -3.466 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.575 -0.816 -1.053 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.829 -1.843 -3.546 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.607 -1.826 -1.135 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.234 -2.337 -2.383 1.00 0.02 C ATOM 2179 OH TYR A 139 4.281 -3.334 -2.462 1.00 0.00 O ATOM 0 H TYR A 139 7.328 1.809 -4.569 1.00 0.01 H new ATOM 0 HA TYR A 139 6.894 2.404 -1.649 1.00 0.01 H new ATOM 0 HB2 TYR A 139 9.020 0.566 -2.840 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.650 0.793 -1.142 1.00 0.01 H new ATOM 0 HD1 TYR A 139 7.256 -0.454 -4.367 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.862 -0.420 -0.090 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.542 -2.239 -4.509 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.149 -2.210 -0.235 1.00 0.02 H new ATOM 0 HH TYR A 139 4.211 -3.647 -3.388 1.00 0.00 H new ATOM 2189 N GLU A 140 8.931 3.902 -1.553 1.00 0.01 N ATOM 2190 CA GLU A 140 9.928 5.011 -1.605 1.00 0.02 C ATOM 2191 C GLU A 140 11.365 4.482 -1.665 1.00 0.01 C ATOM 2192 O GLU A 140 12.217 5.120 -2.249 1.00 0.01 O ATOM 2193 CB GLU A 140 9.756 5.851 -0.337 1.00 0.01 C ATOM 2194 CG GLU A 140 10.563 7.148 -0.462 1.00 0.02 C ATOM 2195 CD GLU A 140 10.188 8.093 0.680 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.260 8.864 0.502 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.834 8.031 1.713 1.00 0.02 O ATOM 0 H GLU A 140 8.498 3.764 -0.640 1.00 0.01 H new ATOM 0 HA GLU A 140 9.756 5.601 -2.505 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.702 6.081 -0.182 1.00 0.01 H new ATOM 0 HB3 GLU A 140 10.090 5.286 0.533 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.630 6.929 -0.432 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.362 7.623 -1.422 1.00 0.02 H new ATOM 2204 N LEU A 141 11.662 3.345 -1.072 1.00 0.01 N ATOM 2205 CA LEU A 141 13.070 2.820 -1.105 1.00 0.02 C ATOM 2206 C LEU A 141 13.092 1.498 -1.900 1.00 0.01 C ATOM 2207 O LEU A 141 12.085 0.817 -1.992 1.00 0.01 O ATOM 2208 CB LEU A 141 13.519 2.564 0.349 1.00 0.57 C ATOM 2209 CG LEU A 141 14.065 3.865 0.977 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.977 3.779 2.503 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.532 4.080 0.576 1.00 1.24 C ATOM 0 H LEU A 141 10.994 2.761 -0.569 1.00 0.01 H new ATOM 0 HA LEU A 141 13.741 3.535 -1.582 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.679 2.193 0.936 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.288 1.792 0.369 1.00 0.57 H new ATOM 0 HG LEU A 141 13.466 4.700 0.615 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.363 4.699 2.942 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.937 3.644 2.800 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.568 2.933 2.854 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.901 5.001 1.027 1.00 1.24 H new ATOM 0 HD22 LEU A 141 16.132 3.239 0.925 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.606 4.152 -0.509 1.00 1.24 H new ATOM 2223 N PRO A 142 14.226 1.129 -2.475 1.00 0.01 N ATOM 2224 CA PRO A 142 14.314 -0.131 -3.268 1.00 0.01 C ATOM 2225 C PRO A 142 13.905 -1.369 -2.463 1.00 0.01 C ATOM 2226 O PRO A 142 13.800 -1.353 -1.252 1.00 0.01 O ATOM 2227 CB PRO A 142 15.807 -0.184 -3.665 1.00 0.01 C ATOM 2228 CG PRO A 142 16.541 0.956 -2.935 1.00 0.02 C ATOM 2229 CD PRO A 142 15.487 1.927 -2.382 1.00 0.01 C ATOM 0 HA PRO A 142 13.633 -0.134 -4.119 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.238 -1.148 -3.394 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.917 -0.077 -4.744 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.153 0.558 -2.126 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.214 1.474 -3.618 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.706 2.221 -1.355 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.431 2.843 -2.971 1.00 0.01 H new ATOM 2237 N ASN A 143 13.703 -2.447 -3.167 1.00 0.01 N ATOM 2238 CA ASN A 143 13.331 -3.734 -2.524 1.00 0.01 C ATOM 2239 C ASN A 143 12.018 -3.611 -1.749 1.00 0.01 C ATOM 2240 O ASN A 143 11.788 -4.299 -0.772 1.00 0.01 O ATOM 2241 CB ASN A 143 14.445 -4.160 -1.564 1.00 0.23 C ATOM 2242 CG ASN A 143 14.259 -5.630 -1.186 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.989 -5.950 -0.046 1.00 0.75 O ATOM 2244 ND2 ASN A 143 14.396 -6.547 -2.104 1.00 0.56 N ATOM 0 H ASN A 143 13.782 -2.489 -4.183 1.00 0.01 H new ATOM 0 HA ASN A 143 13.197 -4.480 -3.307 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.418 -4.014 -2.032 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.426 -3.538 -0.669 1.00 0.23 H new ATOM 0 HD21 ASN A 143 14.276 -7.531 -1.864 1.00 0.56 H new ATOM 0 HD22 ASN A 143 14.623 -6.280 -3.062 1.00 0.56 H new ATOM 2251 N TYR A 144 11.139 -2.763 -2.209 1.00 0.01 N ATOM 2252 CA TYR A 144 9.809 -2.605 -1.555 1.00 0.02 C ATOM 2253 C TYR A 144 9.957 -2.203 -0.082 1.00 0.01 C ATOM 2254 O TYR A 144 9.387 -2.822 0.793 1.00 0.01 O ATOM 2255 CB TYR A 144 9.043 -3.934 -1.662 1.00 0.01 C ATOM 2256 CG TYR A 144 9.428 -4.622 -2.955 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.276 -3.946 -4.173 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.951 -5.922 -2.939 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.643 -4.568 -5.371 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.321 -6.544 -4.138 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.168 -5.868 -5.355 1.00 0.01 C ATOM 2262 OH TYR A 144 10.532 -6.480 -6.537 1.00 0.01 O ATOM 0 H TYR A 144 11.288 -2.165 -3.022 1.00 0.01 H new ATOM 0 HA TYR A 144 9.259 -1.812 -2.061 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.278 -4.573 -0.811 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.969 -3.752 -1.638 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.875 -2.943 -4.187 1.00 0.01 H new ATOM 0 HD2 TYR A 144 10.069 -6.445 -2.001 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.522 -4.046 -6.309 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.725 -7.546 -4.124 1.00 0.01 H new ATOM 0 HH TYR A 144 10.878 -7.377 -6.348 1.00 0.01 H new ATOM 2272 N ARG A 145 10.716 -1.166 0.191 1.00 0.02 N ATOM 2273 CA ARG A 145 10.902 -0.711 1.613 1.00 0.01 C ATOM 2274 C ARG A 145 10.572 0.780 1.734 1.00 0.01 C ATOM 2275 O ARG A 145 10.458 1.483 0.749 1.00 0.01 O ATOM 2276 CB ARG A 145 12.358 -0.939 2.034 1.00 0.01 C ATOM 2277 CG ARG A 145 12.628 -2.444 2.216 1.00 0.02 C ATOM 2278 CD ARG A 145 12.237 -2.889 3.631 1.00 0.01 C ATOM 2279 NE ARG A 145 12.557 -4.334 3.799 1.00 0.01 N ATOM 2280 CZ ARG A 145 12.583 -4.862 4.993 1.00 0.01 C ATOM 2281 NH1 ARG A 145 12.331 -4.123 6.037 1.00 0.02 N ATOM 2282 NH2 ARG A 145 12.855 -6.130 5.141 1.00 0.01 N ATOM 0 H ARG A 145 11.215 -0.614 -0.507 1.00 0.02 H new ATOM 0 HA ARG A 145 10.235 -1.281 2.259 1.00 0.01 H new ATOM 0 HB2 ARG A 145 13.031 -0.530 1.280 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.562 -0.410 2.965 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.062 -3.013 1.479 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.683 -2.655 2.040 1.00 0.02 H new ATOM 0 HD2 ARG A 145 12.774 -2.297 4.372 1.00 0.01 H new ATOM 0 HD3 ARG A 145 11.173 -2.719 3.797 1.00 0.01 H new ATOM 0 HE ARG A 145 12.756 -4.911 2.982 1.00 0.01 H new ATOM 0 HH11 ARG A 145 12.114 -3.133 5.921 1.00 0.02 H new ATOM 0 HH12 ARG A 145 12.351 -4.535 6.970 1.00 0.02 H new ATOM 0 HH21 ARG A 145 13.047 -6.709 4.324 1.00 0.01 H new ATOM 0 HH22 ARG A 145 12.875 -6.542 6.074 1.00 0.01 H new ATOM 2296 N GLY A 146 10.400 1.265 2.940 1.00 0.01 N ATOM 2297 CA GLY A 146 10.067 2.708 3.140 1.00 0.02 C ATOM 2298 C GLY A 146 8.549 2.903 3.098 1.00 0.01 C ATOM 2299 O GLY A 146 7.786 1.960 3.181 1.00 0.02 O ATOM 0 H GLY A 146 10.477 0.719 3.798 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.460 3.052 4.097 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.541 3.310 2.365 1.00 0.02 H new ATOM 2303 N ARG A 147 8.112 4.127 2.966 1.00 0.01 N ATOM 2304 CA ARG A 147 6.646 4.399 2.913 1.00 0.01 C ATOM 2305 C ARG A 147 6.092 3.857 1.601 1.00 0.01 C ATOM 2306 O ARG A 147 6.735 3.898 0.571 1.00 0.01 O ATOM 2307 CB ARG A 147 6.403 5.906 2.986 1.00 0.01 C ATOM 2308 CG ARG A 147 4.905 6.183 2.833 1.00 0.01 C ATOM 2309 CD ARG A 147 4.611 7.640 3.195 1.00 0.01 C ATOM 2310 NE ARG A 147 3.161 7.913 2.992 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.620 8.984 3.503 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.348 9.822 4.191 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.348 9.220 3.327 1.00 0.02 N ATOM 0 H ARG A 147 8.708 4.952 2.892 1.00 0.01 H new ATOM 0 HA ARG A 147 6.149 3.915 3.753 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.762 6.299 3.937 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.961 6.415 2.200 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.591 5.982 1.809 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.334 5.515 3.478 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.888 7.832 4.232 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.209 8.309 2.576 1.00 0.01 H new ATOM 0 HE ARG A 147 2.591 7.262 2.453 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.342 9.640 4.330 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.923 10.659 4.590 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.778 8.567 2.790 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.925 10.058 3.727 1.00 0.02 H new ATOM 2327 N GLN A 148 4.900 3.314 1.651 1.00 0.01 N ATOM 2328 CA GLN A 148 4.273 2.712 0.436 1.00 0.01 C ATOM 2329 C GLN A 148 3.055 3.543 0.018 1.00 0.01 C ATOM 2330 O GLN A 148 2.355 4.096 0.843 1.00 0.01 O ATOM 2331 CB GLN A 148 3.818 1.287 0.804 1.00 0.00 C ATOM 2332 CG GLN A 148 4.792 0.680 1.819 1.00 0.02 C ATOM 2333 CD GLN A 148 4.573 -0.833 1.901 1.00 0.02 C ATOM 2334 OE1 GLN A 148 5.378 -1.549 2.462 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.506 -1.353 1.357 1.00 0.01 N ATOM 0 H GLN A 148 4.328 3.262 2.494 1.00 0.01 H new ATOM 0 HA GLN A 148 4.984 2.691 -0.390 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.812 1.313 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.776 0.666 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.820 0.893 1.524 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.641 1.133 2.799 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.830 -0.752 0.886 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.349 -2.360 1.403 1.00 0.01 H new ATOM 2344 N TYR A 149 2.794 3.612 -1.262 1.00 0.01 N ATOM 2345 CA TYR A 149 1.616 4.379 -1.774 1.00 0.01 C ATOM 2346 C TYR A 149 0.744 3.439 -2.606 1.00 0.01 C ATOM 2347 O TYR A 149 1.242 2.682 -3.414 1.00 0.01 O ATOM 2348 CB TYR A 149 2.096 5.547 -2.639 1.00 0.01 C ATOM 2349 CG TYR A 149 3.236 6.254 -1.945 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.969 7.187 -0.933 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.559 5.980 -2.312 1.00 0.01 C ATOM 2352 CE1 TYR A 149 4.026 7.842 -0.288 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.615 6.637 -1.666 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.347 7.567 -0.655 1.00 0.01 C ATOM 2355 OH TYR A 149 6.389 8.214 -0.020 1.00 0.01 O ATOM 0 H TYR A 149 3.355 3.163 -1.986 1.00 0.01 H new ATOM 0 HA TYR A 149 1.039 4.776 -0.939 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.420 5.182 -3.614 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.276 6.243 -2.816 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.949 7.401 -0.651 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.766 5.263 -3.093 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.821 8.559 0.493 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.636 6.426 -1.948 1.00 0.01 H new ATOM 0 HH TYR A 149 7.241 7.907 -0.394 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.548 3.455 -2.408 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.436 2.532 -3.178 1.00 0.01 C ATOM 2367 C LEU A 150 -2.015 3.269 -4.385 1.00 0.01 C ATOM 2368 O LEU A 150 -2.700 4.265 -4.254 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.566 2.069 -2.248 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.435 1.000 -2.944 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.761 -0.376 -2.853 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.804 0.930 -2.260 1.00 0.01 C ATOM 0 H LEU A 150 -1.027 4.066 -1.747 1.00 0.01 H new ATOM 0 HA LEU A 150 -0.873 1.670 -3.536 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.145 1.662 -1.329 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.184 2.921 -1.965 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.554 1.273 -3.992 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.385 -1.120 -3.348 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.787 -0.337 -3.341 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.632 -0.649 -1.806 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.418 0.175 -2.751 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.673 0.665 -1.211 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.296 1.900 -2.331 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.754 2.766 -5.565 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.292 3.400 -6.801 1.00 0.01 C ATOM 2386 C LEU A 151 -3.547 2.632 -7.229 1.00 0.01 C ATOM 2387 O LEU A 151 -3.633 1.425 -7.069 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.229 3.345 -7.912 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.286 4.548 -7.791 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.428 4.508 -6.438 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.754 4.495 -8.915 1.00 0.01 C ATOM 0 H LEU A 151 -1.185 1.934 -5.724 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.545 4.444 -6.615 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.661 2.418 -7.838 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.711 3.347 -8.889 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.864 5.469 -7.869 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.098 5.364 -6.355 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.309 4.545 -5.636 1.00 0.01 H new ATOM 0 HD13 LEU A 151 1.005 3.587 -6.358 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.425 5.350 -8.830 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.329 3.573 -8.835 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.248 4.525 -9.880 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.523 3.323 -7.764 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.789 2.649 -8.200 1.00 0.01 C ATOM 2405 C ASP A 152 -5.861 2.617 -9.725 1.00 0.00 C ATOM 2406 O ASP A 152 -4.939 3.012 -10.410 1.00 0.01 O ATOM 2407 CB ASP A 152 -6.988 3.428 -7.655 1.00 1.04 C ATOM 2408 CG ASP A 152 -6.902 3.493 -6.130 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.206 4.362 -5.632 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -7.533 2.672 -5.486 1.00 1.57 O ATOM 0 H ASP A 152 -4.499 4.331 -7.919 1.00 0.01 H new ATOM 0 HA ASP A 152 -5.804 1.628 -7.817 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.002 4.435 -8.073 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -7.917 2.945 -7.957 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.952 2.145 -10.261 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.094 2.082 -11.743 1.00 0.01 C ATOM 2417 C LYS A 153 -7.305 3.494 -12.294 1.00 0.01 C ATOM 2418 O LYS A 153 -7.988 3.686 -13.283 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.297 1.209 -12.106 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.496 1.608 -11.245 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.761 0.939 -11.789 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.892 1.091 -10.774 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.053 2.531 -10.423 1.00 1.84 N ATOM 0 H LYS A 153 -7.754 1.799 -9.735 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.191 1.652 -12.176 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.539 1.326 -13.162 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.057 0.157 -11.949 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.330 1.308 -10.210 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.615 2.691 -11.248 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.046 1.393 -12.738 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -10.572 -0.117 -11.984 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.822 0.700 -11.188 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.672 0.510 -9.879 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -12.992 2.683 -10.003 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.320 2.806 -9.739 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.960 3.110 -11.282 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.721 4.481 -11.663 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.872 5.894 -12.134 1.00 0.01 C ATOM 2439 C LYS A 154 -5.532 6.369 -12.696 1.00 0.01 C ATOM 2440 O LYS A 154 -4.539 5.678 -12.607 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.274 6.779 -10.946 1.00 0.39 C ATOM 2442 CG LYS A 154 -7.657 8.188 -11.436 1.00 0.48 C ATOM 2443 CD LYS A 154 -8.482 8.919 -10.356 1.00 0.97 C ATOM 2444 CE LYS A 154 -9.973 8.585 -10.509 1.00 1.44 C ATOM 2445 NZ LYS A 154 -10.693 8.948 -9.254 1.00 2.28 N ATOM 0 H LYS A 154 -6.140 4.368 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.639 5.955 -12.906 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.114 6.330 -10.417 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -6.449 6.845 -10.237 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.757 8.759 -11.666 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.233 8.117 -12.358 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.136 8.626 -9.364 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -8.333 9.995 -10.441 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.394 9.130 -11.354 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.099 7.523 -10.720 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -11.703 8.722 -9.356 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.296 8.409 -8.458 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -10.582 9.966 -9.072 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.496 7.542 -13.277 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.218 8.068 -13.855 1.00 0.01 C ATOM 2461 C GLU A 155 -3.661 9.164 -12.942 1.00 0.01 C ATOM 2462 O GLU A 155 -4.361 10.083 -12.565 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.495 8.639 -15.262 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.662 7.884 -15.912 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.425 6.372 -15.818 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -4.276 5.977 -15.717 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.397 5.637 -15.845 1.00 0.01 O ATOM 0 H GLU A 155 -6.300 8.162 -13.377 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.486 7.264 -13.932 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.731 9.701 -15.193 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.603 8.550 -15.882 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -6.597 8.146 -15.416 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -5.761 8.181 -16.956 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.404 9.068 -12.576 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.797 10.095 -11.679 1.00 0.01 C ATOM 2476 C TYR A 156 -0.977 11.078 -12.513 1.00 0.01 C ATOM 2477 O TYR A 156 0.027 10.720 -13.100 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.902 9.394 -10.657 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.747 8.480 -9.804 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.056 7.190 -10.252 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.228 8.927 -8.569 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.846 6.347 -9.462 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.017 8.085 -7.779 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.327 6.795 -8.225 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.110 5.966 -7.447 1.00 0.01 O ATOM 0 H TYR A 156 -1.773 8.319 -12.862 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.579 10.645 -11.156 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.126 8.822 -11.166 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.397 10.130 -10.032 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.685 6.846 -11.206 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.990 9.923 -8.225 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.085 5.351 -9.806 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.387 8.430 -6.825 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.358 6.431 -6.621 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.423 12.304 -12.610 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.704 13.302 -13.453 1.00 0.01 C ATOM 2497 C ARG A 157 0.358 14.039 -12.636 1.00 0.00 C ATOM 2498 O ARG A 157 1.346 14.486 -13.184 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.722 14.313 -14.023 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.863 14.552 -13.009 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.994 13.525 -13.215 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.679 13.277 -11.913 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.837 12.675 -11.888 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -6.393 12.281 -13.001 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.437 12.463 -10.749 1.00 0.01 N ATOM 0 H ARG A 157 -2.257 12.657 -12.140 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.205 12.780 -14.269 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.222 15.255 -14.248 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.132 13.938 -14.961 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.476 14.476 -11.993 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -3.256 15.562 -13.126 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.708 13.896 -13.950 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.587 12.593 -13.608 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.242 13.578 -11.042 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -5.923 12.443 -13.891 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -7.298 11.811 -12.980 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -6.001 12.768 -9.879 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -7.342 11.993 -10.729 1.00 0.01 H new ATOM 2519 N LYS A 158 0.193 14.161 -11.338 1.00 0.01 N ATOM 2520 CA LYS A 158 1.220 14.855 -10.496 1.00 0.01 C ATOM 2521 C LYS A 158 1.660 13.872 -9.399 1.00 0.01 C ATOM 2522 O LYS A 158 0.911 12.991 -9.036 1.00 0.01 O ATOM 2523 CB LYS A 158 0.577 16.102 -9.857 1.00 0.58 C ATOM 2524 CG LYS A 158 0.688 17.298 -10.810 1.00 0.97 C ATOM 2525 CD LYS A 158 0.149 18.553 -10.119 1.00 1.44 C ATOM 2526 CE LYS A 158 0.381 19.770 -11.019 1.00 2.13 C ATOM 2527 NZ LYS A 158 0.186 21.015 -10.226 1.00 2.54 N ATOM 0 H LYS A 158 -0.614 13.807 -10.824 1.00 0.01 H new ATOM 0 HA LYS A 158 2.079 15.164 -11.092 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.470 15.904 -9.629 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.071 16.332 -8.913 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.727 17.449 -11.102 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.125 17.103 -11.723 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.915 18.438 -9.911 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.647 18.696 -9.160 1.00 1.44 H new ATOM 0 HE2 LYS A 158 1.389 19.743 -11.433 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.310 19.750 -11.862 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 0.343 21.843 -10.835 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -0.784 21.040 -9.852 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 0.862 21.033 -9.436 1.00 2.54 H new ATOM 2541 N PRO A 159 2.842 14.010 -8.849 1.00 0.01 N ATOM 2542 CA PRO A 159 3.279 13.080 -7.769 1.00 0.02 C ATOM 2543 C PRO A 159 2.375 13.205 -6.534 1.00 0.01 C ATOM 2544 O PRO A 159 2.053 12.227 -5.894 1.00 0.01 O ATOM 2545 CB PRO A 159 4.718 13.555 -7.498 1.00 0.41 C ATOM 2546 CG PRO A 159 4.892 14.934 -8.160 1.00 0.70 C ATOM 2547 CD PRO A 159 3.810 15.074 -9.240 1.00 0.28 C ATOM 0 HA PRO A 159 3.224 12.024 -8.035 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.903 13.620 -6.426 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.438 12.843 -7.903 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.798 15.728 -7.419 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.885 15.024 -8.600 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.353 16.064 -9.234 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.210 14.914 -10.241 1.00 0.28 H new ATOM 2555 N VAL A 160 1.974 14.386 -6.186 1.00 0.01 N ATOM 2556 CA VAL A 160 1.105 14.545 -4.985 1.00 0.02 C ATOM 2557 C VAL A 160 -0.217 13.793 -5.192 1.00 0.02 C ATOM 2558 O VAL A 160 -0.931 13.518 -4.248 1.00 0.02 O ATOM 2559 CB VAL A 160 0.825 16.034 -4.767 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.152 16.210 -3.604 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.136 16.754 -4.443 1.00 0.74 C ATOM 0 H VAL A 160 2.206 15.250 -6.675 1.00 0.01 H new ATOM 0 HA VAL A 160 1.610 14.133 -4.111 1.00 0.02 H new ATOM 0 HB VAL A 160 0.388 16.456 -5.672 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.349 17.271 -3.452 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.086 15.697 -3.833 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.282 15.788 -2.697 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.940 17.815 -4.287 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.571 16.329 -3.538 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.833 16.632 -5.272 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.562 13.474 -6.410 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.857 12.765 -6.641 1.00 0.01 C ATOM 2573 C ASP A 161 -1.863 11.346 -6.044 1.00 0.01 C ATOM 2574 O ASP A 161 -2.919 10.791 -5.818 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.133 12.666 -8.142 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.404 14.063 -8.702 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -1.981 15.021 -8.078 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.034 14.150 -9.741 1.00 0.00 O ATOM 0 H ASP A 161 -0.012 13.670 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.632 13.347 -6.142 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.280 12.217 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -2.990 12.017 -8.323 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.714 10.760 -5.748 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.723 9.382 -5.124 1.00 0.01 C ATOM 2585 C TRP A 162 -0.482 9.491 -3.613 1.00 0.01 C ATOM 2586 O TRP A 162 -0.228 8.510 -2.941 1.00 0.01 O ATOM 2587 CB TRP A 162 0.293 8.422 -5.773 1.00 0.01 C ATOM 2588 CG TRP A 162 1.618 9.060 -6.028 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.336 9.767 -5.131 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.413 9.012 -7.248 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.520 10.173 -5.732 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.609 9.731 -7.035 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.205 8.428 -8.511 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.574 9.859 -8.037 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.172 8.556 -9.522 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.353 9.273 -9.284 1.00 0.01 C ATOM 0 H TRP A 162 0.209 11.164 -5.907 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.708 8.952 -5.305 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.431 7.556 -5.125 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.114 8.054 -6.715 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.039 9.981 -4.115 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.236 10.730 -5.266 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.296 7.878 -8.705 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.485 10.408 -7.848 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.005 8.100 -10.487 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.092 9.372 -10.066 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.625 10.671 -3.063 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.482 10.844 -1.580 1.00 0.01 C ATOM 2609 C GLY A 163 0.975 11.042 -1.141 1.00 0.01 C ATOM 2610 O GLY A 163 1.280 10.990 0.036 1.00 0.01 O ATOM 0 H GLY A 163 -0.835 11.526 -3.577 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.073 11.703 -1.261 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -0.893 9.969 -1.076 1.00 0.01 H new ATOM 2614 N ALA A 164 1.882 11.258 -2.057 1.00 0.01 N ATOM 2615 CA ALA A 164 3.320 11.445 -1.669 1.00 0.02 C ATOM 2616 C ALA A 164 3.682 12.931 -1.676 1.00 0.01 C ATOM 2617 O ALA A 164 3.268 13.685 -2.532 1.00 0.02 O ATOM 2618 CB ALA A 164 4.210 10.744 -2.694 1.00 0.01 C ATOM 0 H ALA A 164 1.694 11.314 -3.058 1.00 0.01 H new ATOM 0 HA ALA A 164 3.468 11.031 -0.672 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.256 10.876 -2.418 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.972 9.681 -2.716 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.038 11.175 -3.680 1.00 0.01 H new ATOM 2624 N ALA A 165 4.465 13.346 -0.720 1.00 0.02 N ATOM 2625 CA ALA A 165 4.884 14.773 -0.646 1.00 0.01 C ATOM 2626 C ALA A 165 6.102 15.001 -1.543 1.00 0.02 C ATOM 2627 O ALA A 165 6.530 16.121 -1.738 1.00 0.01 O ATOM 2628 CB ALA A 165 5.250 15.129 0.797 1.00 0.59 C ATOM 0 H ALA A 165 4.836 12.751 0.021 1.00 0.02 H new ATOM 0 HA ALA A 165 4.060 15.403 -0.981 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.556 16.174 0.848 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.385 14.973 1.441 1.00 0.59 H new ATOM 0 HB3 ALA A 165 6.070 14.494 1.132 1.00 0.59 H new ATOM 2634 N SER A 166 6.664 13.953 -2.097 1.00 0.01 N ATOM 2635 CA SER A 166 7.855 14.113 -2.993 1.00 0.01 C ATOM 2636 C SER A 166 7.745 13.113 -4.163 1.00 0.02 C ATOM 2637 O SER A 166 7.191 12.045 -3.998 1.00 0.01 O ATOM 2638 CB SER A 166 9.126 13.822 -2.192 1.00 0.72 C ATOM 2639 OG SER A 166 9.094 14.557 -0.975 1.00 0.87 O ATOM 0 H SER A 166 6.349 12.992 -1.967 1.00 0.01 H new ATOM 0 HA SER A 166 7.893 15.130 -3.384 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.202 12.755 -1.984 1.00 0.72 H new ATOM 0 HB3 SER A 166 10.006 14.097 -2.773 1.00 0.72 H new ATOM 0 HG SER A 166 9.906 14.371 -0.459 1.00 0.87 H new ATOM 2645 N PRO A 167 8.272 13.425 -5.336 1.00 0.02 N ATOM 2646 CA PRO A 167 8.202 12.469 -6.484 1.00 0.01 C ATOM 2647 C PRO A 167 9.183 11.304 -6.323 1.00 0.01 C ATOM 2648 O PRO A 167 9.511 10.627 -7.279 1.00 0.01 O ATOM 2649 CB PRO A 167 8.616 13.359 -7.664 1.00 0.38 C ATOM 2650 CG PRO A 167 9.396 14.547 -7.086 1.00 0.35 C ATOM 2651 CD PRO A 167 8.956 14.727 -5.623 1.00 0.22 C ATOM 0 HA PRO A 167 7.224 12.000 -6.590 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.232 12.801 -8.369 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.739 13.705 -8.211 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.469 14.364 -7.143 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.196 15.452 -7.660 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.805 14.896 -4.960 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.283 15.576 -5.502 1.00 0.22 H new ATOM 2659 N ALA A 168 9.683 11.082 -5.137 1.00 0.01 N ATOM 2660 CA ALA A 168 10.669 9.980 -4.961 1.00 0.01 C ATOM 2661 C ALA A 168 9.959 8.634 -4.823 1.00 0.01 C ATOM 2662 O ALA A 168 9.183 8.398 -3.919 1.00 0.02 O ATOM 2663 CB ALA A 168 11.498 10.240 -3.703 1.00 0.18 C ATOM 0 H ALA A 168 9.455 11.609 -4.294 1.00 0.01 H new ATOM 0 HA ALA A 168 11.314 9.948 -5.839 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.221 9.435 -3.571 1.00 0.18 H new ATOM 0 HB2 ALA A 168 12.025 11.189 -3.804 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.839 10.282 -2.835 1.00 0.18 H new ATOM 2669 N ILE A 169 10.280 7.751 -5.727 1.00 0.01 N ATOM 2670 CA ILE A 169 9.712 6.372 -5.735 1.00 0.01 C ATOM 2671 C ILE A 169 10.775 5.477 -6.370 1.00 0.01 C ATOM 2672 O ILE A 169 11.245 5.748 -7.457 1.00 0.01 O ATOM 2673 CB ILE A 169 8.411 6.344 -6.569 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.237 7.001 -5.775 1.00 2.75 C ATOM 2675 CG2 ILE A 169 8.057 4.889 -6.924 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.972 8.419 -6.297 1.00 3.99 C ATOM 0 H ILE A 169 10.935 7.935 -6.487 1.00 0.01 H new ATOM 0 HA ILE A 169 9.463 6.033 -4.730 1.00 0.01 H new ATOM 0 HB ILE A 169 8.568 6.912 -7.486 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.337 6.395 -5.875 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.481 7.036 -4.713 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.139 4.871 -7.512 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.868 4.448 -7.504 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.912 4.316 -6.008 1.00 2.24 H new ATOM 0 HD11 ILE A 169 6.152 8.866 -5.736 1.00 3.99 H new ATOM 0 HD12 ILE A 169 7.869 9.026 -6.174 1.00 3.99 H new ATOM 0 HD13 ILE A 169 6.707 8.374 -7.353 1.00 3.99 H new ATOM 2688 N GLN A 170 11.195 4.440 -5.684 1.00 0.01 N ATOM 2689 CA GLN A 170 12.279 3.558 -6.227 1.00 0.01 C ATOM 2690 C GLN A 170 11.775 2.161 -6.606 1.00 0.02 C ATOM 2691 O GLN A 170 12.487 1.430 -7.266 1.00 0.01 O ATOM 2692 CB GLN A 170 13.377 3.424 -5.172 1.00 2.62 C ATOM 2693 CG GLN A 170 13.910 4.816 -4.818 1.00 3.39 C ATOM 2694 CD GLN A 170 14.686 5.383 -6.009 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.103 5.905 -6.937 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.989 5.303 -6.021 1.00 5.17 N ATOM 0 H GLN A 170 10.834 4.166 -4.770 1.00 0.01 H new ATOM 0 HA GLN A 170 12.656 4.023 -7.138 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.984 2.935 -4.281 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.185 2.797 -5.549 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.084 5.479 -4.560 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.557 4.758 -3.943 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.480 4.865 -5.242 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.516 5.679 -6.809 1.00 5.17 H new ATOM 2705 N SER A 171 10.589 1.739 -6.239 1.00 0.01 N ATOM 2706 CA SER A 171 10.169 0.361 -6.657 1.00 0.01 C ATOM 2707 C SER A 171 8.642 0.259 -6.658 1.00 0.01 C ATOM 2708 O SER A 171 7.955 1.030 -6.018 1.00 0.01 O ATOM 2709 CB SER A 171 10.752 -0.668 -5.689 1.00 0.01 C ATOM 2710 OG SER A 171 9.912 -0.771 -4.548 1.00 0.02 O ATOM 0 H SER A 171 9.913 2.266 -5.687 1.00 0.01 H new ATOM 0 HA SER A 171 10.540 0.164 -7.663 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.838 -1.637 -6.180 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.757 -0.373 -5.389 1.00 0.01 H new ATOM 0 HG SER A 171 10.437 -0.599 -3.739 1.00 0.02 H new ATOM 2716 N PHE A 172 8.106 -0.708 -7.361 1.00 0.01 N ATOM 2717 CA PHE A 172 6.618 -0.874 -7.387 1.00 0.01 C ATOM 2718 C PHE A 172 6.258 -2.341 -7.633 1.00 0.01 C ATOM 2719 O PHE A 172 7.021 -3.093 -8.212 1.00 0.01 O ATOM 2720 CB PHE A 172 5.997 0.007 -8.474 1.00 1.06 C ATOM 2721 CG PHE A 172 6.559 -0.338 -9.832 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.102 -1.471 -10.515 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.526 0.489 -10.418 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.614 -1.779 -11.781 1.00 1.16 C ATOM 2725 CE2 PHE A 172 8.035 0.182 -11.685 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.580 -0.952 -12.366 1.00 1.92 C ATOM 0 H PHE A 172 8.630 -1.386 -7.915 1.00 0.01 H new ATOM 0 HA PHE A 172 6.219 -0.566 -6.421 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.915 -0.124 -8.480 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.190 1.056 -8.252 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.354 -2.108 -10.065 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.879 1.364 -9.892 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.264 -2.655 -12.307 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.779 0.821 -12.137 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.974 -1.189 -13.343 1.00 1.92 H new ATOM 2736 N ARG A 173 5.105 -2.764 -7.174 1.00 0.01 N ATOM 2737 CA ARG A 173 4.695 -4.192 -7.356 1.00 0.01 C ATOM 2738 C ARG A 173 3.191 -4.282 -7.608 1.00 0.01 C ATOM 2739 O ARG A 173 2.410 -3.498 -7.105 1.00 0.01 O ATOM 2740 CB ARG A 173 4.986 -4.978 -6.076 1.00 0.01 C ATOM 2741 CG ARG A 173 6.482 -5.012 -5.781 1.00 0.01 C ATOM 2742 CD ARG A 173 6.717 -5.843 -4.515 1.00 0.01 C ATOM 2743 NE ARG A 173 6.296 -5.060 -3.320 1.00 0.01 N ATOM 2744 CZ ARG A 173 6.104 -5.666 -2.178 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.282 -6.955 -2.086 1.00 0.01 N ATOM 2746 NH2 ARG A 173 5.735 -4.982 -1.129 1.00 0.01 N ATOM 0 H ARG A 173 4.429 -2.181 -6.680 1.00 0.01 H new ATOM 0 HA ARG A 173 5.250 -4.599 -8.202 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.457 -4.523 -5.238 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.609 -5.996 -6.177 1.00 0.01 H new ATOM 0 HG2 ARG A 173 7.023 -5.445 -6.622 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.863 -4.000 -5.644 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.154 -6.775 -4.569 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.770 -6.112 -4.434 1.00 0.01 H new ATOM 0 HE ARG A 173 6.158 -4.052 -3.393 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.571 -7.490 -2.905 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.132 -7.428 -1.195 1.00 0.01 H new ATOM 0 HH21 ARG A 173 5.596 -3.974 -1.200 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.585 -5.456 -0.238 1.00 0.01 H new ATOM 2760 N ARG A 174 2.779 -5.266 -8.360 1.00 0.01 N ATOM 2761 CA ARG A 174 1.325 -5.452 -8.626 1.00 0.01 C ATOM 2762 C ARG A 174 0.734 -6.286 -7.487 1.00 0.01 C ATOM 2763 O ARG A 174 1.360 -7.203 -6.995 1.00 0.01 O ATOM 2764 CB ARG A 174 1.127 -6.192 -9.950 1.00 0.01 C ATOM 2765 CG ARG A 174 1.907 -7.510 -9.929 1.00 0.01 C ATOM 2766 CD ARG A 174 1.740 -8.224 -11.272 1.00 0.01 C ATOM 2767 NE ARG A 174 0.366 -8.794 -11.359 1.00 0.01 N ATOM 2768 CZ ARG A 174 -0.108 -9.188 -12.509 1.00 0.01 C ATOM 2769 NH1 ARG A 174 0.624 -9.084 -13.584 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -1.312 -9.686 -12.584 1.00 0.01 N ATOM 0 H ARG A 174 3.390 -5.952 -8.803 1.00 0.01 H new ATOM 0 HA ARG A 174 0.831 -4.482 -8.687 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.067 -6.388 -10.112 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.467 -5.571 -10.779 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.962 -7.317 -9.737 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.546 -8.145 -9.120 1.00 0.01 H new ATOM 0 HD2 ARG A 174 1.909 -7.526 -12.092 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.482 -9.017 -11.370 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.205 -8.876 -10.518 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.565 -8.695 -13.525 1.00 0.01 H new ATOM 0 HH12 ARG A 174 0.255 -9.392 -14.484 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.883 -9.768 -11.743 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -1.682 -9.994 -13.484 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.466 -5.982 -7.069 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.084 -6.779 -5.962 1.00 0.01 C ATOM 2786 C ILE A 175 -1.929 -7.906 -6.560 1.00 0.00 C ATOM 2787 O ILE A 175 -2.761 -7.676 -7.414 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.967 -5.888 -5.092 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.177 -4.643 -4.666 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.390 -6.673 -3.852 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.069 -3.660 -3.881 1.00 3.04 C ATOM 0 H ILE A 175 -1.042 -5.226 -7.439 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.291 -7.198 -5.343 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.849 -5.579 -5.653 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.329 -4.940 -4.050 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -0.772 -4.146 -5.548 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.022 -6.046 -3.222 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.946 -7.560 -4.155 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.504 -6.974 -3.292 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.483 -2.788 -3.592 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -2.903 -3.345 -4.508 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.453 -4.151 -2.987 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.722 -9.125 -6.124 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.509 -10.275 -6.673 1.00 0.00 C ATOM 2805 C VAL A 176 -2.906 -11.224 -5.539 1.00 0.01 C ATOM 2806 O VAL A 176 -2.197 -11.376 -4.564 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.658 -11.051 -7.677 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.203 -10.111 -8.796 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.432 -11.629 -6.966 1.00 1.89 C ATOM 0 H VAL A 176 -1.039 -9.374 -5.409 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.402 -9.885 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.248 -11.863 -8.103 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.596 -10.665 -9.512 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.076 -9.699 -9.302 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.613 -9.299 -8.371 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.176 -12.183 -7.681 1.00 1.89 H new ATOM 0 HG22 VAL A 176 0.158 -10.817 -6.540 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.756 -12.299 -6.169 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.030 -11.873 -5.674 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.484 -12.829 -4.622 1.00 0.01 C ATOM 2821 C GLU A 177 -5.723 -13.584 -5.115 1.00 0.01 C ATOM 2822 O GLU A 177 -5.720 -14.173 -6.178 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.827 -12.062 -3.338 1.00 2.15 C ATOM 2824 CG GLU A 177 -4.809 -13.019 -2.143 1.00 3.19 C ATOM 2825 CD GLU A 177 -5.313 -12.290 -0.896 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -6.413 -11.766 -0.946 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -4.591 -12.268 0.087 1.00 4.89 O ATOM 0 H GLU A 177 -4.658 -11.782 -6.473 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.685 -13.540 -4.413 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.109 -11.257 -3.182 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -5.810 -11.600 -3.431 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.437 -13.886 -2.349 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -3.798 -13.390 -1.976 1.00 3.19 H new