USER MOD reduce.3.24.130724 H: found=0, std=0, add=1328, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1330 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 54 THR OG1 : rot 145:sc= 0.0325 USER MOD Set 1.2: A 138 TYR OH : rot 170:sc= 0.0813 USER MOD Set 2.1: A 104 GLN : amide:sc= -0.973 K(o=-1,f=-1.9!) USER MOD Set 2.2: A 129 ASN :FLIP amide:sc= -0.0267 F(o=-2.3!,f=-1) USER MOD Set 3.1: A 86 SER OG : rot 170:sc= 1.46 USER MOD Set 3.2: A 87 SER OG : rot 180:sc= 0.00114 USER MOD Set 4.1: A 59 GLN : amide:sc= -0.195 X(o=-2.7,f=-2.6) USER MOD Set 4.2: A 65 ASN : amide:sc= -2.47 X(o=-2.7,f=-2.9!) USER MOD Single : A 15 SER OG : rot -166:sc= -1.95! USER MOD Single : A 19 GLN : amide:sc= 1.83 K(o=1.8,f=-3.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0927 USER MOD Single : A 28 GLN : amide:sc= -2.05! C(o=-2.1!,f=-9.8!) USER MOD Single : A 39 ASN : amide:sc= -2.47! C(o=-2.5!,f=-5.7!) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 1.42 (180deg=0.777) USER MOD Single : A 46 GLN : amide:sc= 1.31 K(o=1.3,f=-9.4!) USER MOD Single : A 47 SER OG : rot -5:sc= 1.02 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 51 MET CE :methyl 145:sc= -3.51! (180deg=-4.82!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -79:sc= 0.611 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.924 F(o=-1.5,f=-0.92) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0903 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3.4!) USER MOD Single : A 93 THR OG1 : rot 82:sc= -1.77! USER MOD Single : A 96 ASN : amide:sc= -0.0888 K(o=-0.089,f=-4.3!) USER MOD Single : A 98 HIS :FLIP no HE2:sc= 0.111 F(o=-0.56,f=0.11) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.91! C(o=-1.9!,f=-4.9!) USER MOD Single : A 105 SER OG : rot -10:sc= 1.09 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 109 GLN : amide:sc= -9.3! C(o=-9.3!,f=-12!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.623 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN :FLIP amide:sc= 0.0624 F(o=-1.1,f=0.062) USER MOD Single : A 120 MET CE :methyl -141:sc= -0.37 (180deg=-3.67!) USER MOD Single : A 124 GLN : amide:sc= -2.02! C(o=-2!,f=-4.1!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -6:sc= 0.0751 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc=-0.00874 X(o=-0.0087,f=-0.013) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -146:sc= 0.795 (180deg=0.117) USER MOD Single : A 136 THR OG1 : rot 158:sc= -0.109 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 142 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.649) USER MOD Single : A 145 SER OG : rot 180:sc= 0.00797 USER MOD Single : A 149 LYS NZ :NH3+ -177:sc= 0.808 (180deg=0.78) USER MOD Single : A 154 SER OG : rot 75:sc= 0.744 USER MOD Single : A 157 LYS NZ :NH3+ -174:sc= 0.666 (180deg=0.387) USER MOD Single : A 158 SER OG : rot 59:sc= 0.162 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.0844 K(o=-0.084,f=-1.4!) USER MOD Single : A 165 ASN : amide:sc= -0.617 K(o=-0.62,f=-1.8!) USER MOD Single : A 169 SER OG : rot 47:sc= -0.0608 USER MOD Single : A 172 THR OG1 : rot 168:sc= -0.816! USER MOD Single : A 174 GLN : amide:sc= -0.802 K(o=-0.8,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 -17.393 7.191 -0.763 1.00 0.58 N ATOM 89 CA LEU A 7 -16.260 7.107 0.133 1.00 0.51 C ATOM 90 C LEU A 7 -16.717 6.817 1.555 1.00 0.45 C ATOM 91 O LEU A 7 -17.682 7.397 2.059 1.00 0.49 O ATOM 92 CB LEU A 7 -15.406 8.386 0.070 1.00 0.52 C ATOM 93 CG LEU A 7 -16.145 9.699 0.333 1.00 0.80 C ATOM 94 CD1 LEU A 7 -16.076 10.065 1.807 1.00 1.73 C ATOM 95 CD2 LEU A 7 -15.569 10.807 -0.534 1.00 1.08 C ATOM 0 HA LEU A 7 -15.632 6.278 -0.193 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.598 8.295 0.796 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.945 8.443 -0.916 1.00 0.52 H new ATOM 0 HG LEU A 7 -17.195 9.570 0.070 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -16.607 11.002 1.975 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -16.537 9.275 2.400 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -15.034 10.181 2.105 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -16.103 11.737 -0.338 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -14.512 10.939 -0.301 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -15.678 10.540 -1.585 1.00 1.08 H new ATOM 107 N ILE A 8 -16.031 5.872 2.163 1.00 0.43 N ATOM 108 CA ILE A 8 -16.176 5.560 3.567 1.00 0.40 C ATOM 109 C ILE A 8 -15.423 6.619 4.345 1.00 0.40 C ATOM 110 O ILE A 8 -14.777 7.460 3.732 1.00 0.62 O ATOM 111 CB ILE A 8 -15.629 4.116 3.824 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.774 3.179 4.191 1.00 0.48 C ATOM 113 CG2 ILE A 8 -14.502 4.040 4.870 1.00 0.67 C ATOM 114 CD1 ILE A 8 -16.419 1.720 4.022 1.00 0.47 C ATOM 0 H ILE A 8 -15.344 5.289 1.685 1.00 0.43 H new ATOM 0 HA ILE A 8 -17.217 5.568 3.890 1.00 0.40 H new ATOM 0 HB ILE A 8 -15.172 3.796 2.887 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -17.066 3.359 5.226 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -17.639 3.411 3.570 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -14.182 3.004 4.986 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -13.658 4.645 4.540 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.867 4.416 5.826 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -17.274 1.103 4.299 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -16.154 1.528 2.982 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.572 1.475 4.663 1.00 0.47 H new ATOM 126 N PRO A 9 -15.604 6.654 5.662 1.00 0.31 N ATOM 127 CA PRO A 9 -14.773 7.415 6.588 1.00 0.28 C ATOM 128 C PRO A 9 -13.340 7.623 6.077 1.00 0.32 C ATOM 129 O PRO A 9 -12.444 6.844 6.395 1.00 0.38 O ATOM 130 CB PRO A 9 -14.776 6.473 7.780 1.00 0.31 C ATOM 131 CG PRO A 9 -16.134 5.842 7.775 1.00 0.35 C ATOM 132 CD PRO A 9 -16.668 5.946 6.370 1.00 0.35 C ATOM 0 HA PRO A 9 -15.136 8.426 6.772 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.992 5.721 7.690 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.596 7.013 8.710 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -16.075 4.800 8.088 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.796 6.349 8.477 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.856 4.964 5.937 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.609 6.495 6.336 1.00 0.35 H new ATOM 140 N ALA A 10 -13.151 8.668 5.275 1.00 0.36 N ATOM 141 CA ALA A 10 -11.882 8.943 4.613 1.00 0.44 C ATOM 142 C ALA A 10 -10.989 9.802 5.499 1.00 0.42 C ATOM 143 O ALA A 10 -11.184 11.017 5.604 1.00 0.53 O ATOM 144 CB ALA A 10 -12.123 9.641 3.270 1.00 0.62 C ATOM 0 H ALA A 10 -13.879 9.351 5.066 1.00 0.36 H new ATOM 0 HA ALA A 10 -11.377 7.994 4.431 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -11.167 9.840 2.787 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.726 8.998 2.629 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.648 10.582 3.438 1.00 0.62 H new ATOM 150 N PRO A 11 -9.996 9.181 6.147 1.00 0.35 N ATOM 151 CA PRO A 11 -9.070 9.862 7.035 1.00 0.35 C ATOM 152 C PRO A 11 -7.927 10.499 6.260 1.00 0.39 C ATOM 153 O PRO A 11 -7.464 9.951 5.259 1.00 0.45 O ATOM 154 CB PRO A 11 -8.540 8.730 7.939 1.00 0.35 C ATOM 155 CG PRO A 11 -9.179 7.470 7.448 1.00 0.41 C ATOM 156 CD PRO A 11 -9.679 7.758 6.065 1.00 0.38 C ATOM 0 HA PRO A 11 -9.543 10.673 7.588 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.454 8.663 7.882 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.794 8.914 8.983 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.462 6.649 7.438 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.998 7.170 8.102 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.924 7.551 5.307 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.554 7.159 5.815 1.00 0.38 H new ATOM 164 N PRO A 12 -7.482 11.682 6.686 1.00 0.42 N ATOM 165 CA PRO A 12 -6.300 12.313 6.133 1.00 0.46 C ATOM 166 C PRO A 12 -5.034 11.627 6.619 1.00 0.44 C ATOM 167 O PRO A 12 -5.080 10.829 7.558 1.00 0.41 O ATOM 168 CB PRO A 12 -6.345 13.761 6.643 1.00 0.50 C ATOM 169 CG PRO A 12 -7.641 13.895 7.381 1.00 0.55 C ATOM 170 CD PRO A 12 -8.093 12.504 7.734 1.00 0.48 C ATOM 0 HA PRO A 12 -6.288 12.254 5.045 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.499 13.971 7.297 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -6.291 14.469 5.816 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.512 14.498 8.280 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -8.386 14.397 6.764 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.754 12.209 8.727 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -9.180 12.420 7.731 1.00 0.48 H new ATOM 178 N LEU A 13 -3.922 11.930 5.974 1.00 0.50 N ATOM 179 CA LEU A 13 -2.608 11.436 6.389 1.00 0.51 C ATOM 180 C LEU A 13 -2.457 11.607 7.895 1.00 0.49 C ATOM 181 O LEU A 13 -1.942 10.756 8.605 1.00 0.48 O ATOM 182 CB LEU A 13 -1.546 12.279 5.667 1.00 0.61 C ATOM 183 CG LEU A 13 -0.097 11.756 5.661 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.443 11.576 7.073 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.006 10.459 4.867 1.00 0.74 C ATOM 0 H LEU A 13 -3.897 12.525 5.146 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.495 10.381 6.140 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.862 12.401 4.631 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.542 13.271 6.118 1.00 0.61 H new ATOM 0 HG LEU A 13 0.522 12.508 5.171 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.467 11.206 7.026 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.426 12.533 7.594 1.00 0.50 H new ATOM 0 HD13 LEU A 13 -0.178 10.860 7.611 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.038 10.108 4.876 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.638 9.704 5.318 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.308 10.636 3.838 1.00 0.74 H new ATOM 197 N ILE A 14 -2.972 12.704 8.367 1.00 0.52 N ATOM 198 CA ILE A 14 -2.755 13.147 9.721 1.00 0.56 C ATOM 199 C ILE A 14 -3.456 12.250 10.752 1.00 0.54 C ATOM 200 O ILE A 14 -3.278 12.428 11.958 1.00 0.61 O ATOM 201 CB ILE A 14 -3.246 14.598 9.830 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.776 14.642 9.901 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.751 15.373 8.609 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.361 16.006 9.622 1.00 1.05 C ATOM 0 H ILE A 14 -3.563 13.328 7.818 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.691 13.086 9.948 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.853 15.050 10.741 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -5.184 13.929 9.185 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -5.094 14.317 10.892 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -3.092 16.407 8.671 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.662 15.351 8.581 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -3.146 14.915 7.702 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -6.448 15.957 9.691 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.983 16.720 10.353 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -5.075 16.327 8.620 1.00 1.05 H new ATOM 216 N SER A 15 -4.246 11.287 10.282 1.00 0.46 N ATOM 217 CA SER A 15 -4.880 10.318 11.168 1.00 0.46 C ATOM 218 C SER A 15 -3.947 9.137 11.417 1.00 0.46 C ATOM 219 O SER A 15 -4.089 8.409 12.400 1.00 0.51 O ATOM 220 CB SER A 15 -6.203 9.820 10.575 1.00 0.42 C ATOM 221 OG SER A 15 -7.024 10.911 10.188 1.00 0.92 O ATOM 0 H SER A 15 -4.461 11.158 9.293 1.00 0.46 H new ATOM 0 HA SER A 15 -5.089 10.813 12.116 1.00 0.46 H new ATOM 0 HB2 SER A 15 -6.004 9.185 9.712 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.727 9.207 11.308 1.00 0.42 H new ATOM 0 HG SER A 15 -7.936 10.592 10.023 1.00 0.92 H new ATOM 227 N VAL A 16 -2.967 8.970 10.538 1.00 0.43 N ATOM 228 CA VAL A 16 -2.083 7.819 10.599 1.00 0.43 C ATOM 229 C VAL A 16 -0.680 8.219 11.076 1.00 0.45 C ATOM 230 O VAL A 16 -0.099 9.199 10.603 1.00 0.50 O ATOM 231 CB VAL A 16 -2.023 7.097 9.228 1.00 0.45 C ATOM 232 CG1 VAL A 16 -1.519 8.010 8.116 1.00 0.54 C ATOM 233 CG2 VAL A 16 -1.160 5.846 9.319 1.00 0.45 C ATOM 0 H VAL A 16 -2.766 9.618 9.776 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.492 7.121 11.330 1.00 0.43 H new ATOM 0 HB VAL A 16 -3.043 6.809 8.973 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -1.495 7.459 7.176 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -2.186 8.866 8.018 1.00 0.54 H new ATOM 0 HG13 VAL A 16 -0.515 8.358 8.358 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -1.130 5.353 8.347 1.00 0.45 H new ATOM 0 HG22 VAL A 16 -0.149 6.123 9.617 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.583 5.165 10.058 1.00 0.45 H new ATOM 243 N PRO A 17 -0.144 7.478 12.067 1.00 0.46 N ATOM 244 CA PRO A 17 1.180 7.742 12.645 1.00 0.50 C ATOM 245 C PRO A 17 2.328 7.306 11.735 1.00 0.43 C ATOM 246 O PRO A 17 2.120 6.636 10.720 1.00 0.48 O ATOM 247 CB PRO A 17 1.170 6.908 13.927 1.00 0.59 C ATOM 248 CG PRO A 17 0.251 5.775 13.631 1.00 0.53 C ATOM 249 CD PRO A 17 -0.807 6.329 12.717 1.00 0.50 C ATOM 0 HA PRO A 17 1.346 8.808 12.804 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.170 6.553 14.176 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.818 7.492 14.777 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.786 4.953 13.156 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.191 5.381 14.546 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.132 5.589 11.986 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.693 6.639 13.272 1.00 0.50 H new ATOM 257 N LEU A 18 3.539 7.686 12.119 1.00 0.42 N ATOM 258 CA LEU A 18 4.727 7.410 11.327 1.00 0.38 C ATOM 259 C LEU A 18 5.659 6.472 12.075 1.00 0.33 C ATOM 260 O LEU A 18 5.628 6.406 13.304 1.00 0.35 O ATOM 261 CB LEU A 18 5.467 8.714 11.014 1.00 0.46 C ATOM 262 CG LEU A 18 5.964 8.852 9.574 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.434 10.272 9.311 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.075 7.868 9.255 1.00 1.07 C ATOM 0 H LEU A 18 3.724 8.192 12.985 1.00 0.42 H new ATOM 0 HA LEU A 18 4.414 6.936 10.396 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.804 9.551 11.234 1.00 0.46 H new ATOM 0 HB3 LEU A 18 6.321 8.798 11.686 1.00 0.46 H new ATOM 0 HG LEU A 18 5.124 8.621 8.919 1.00 0.63 H new ATOM 0 HD11 LEU A 18 6.785 10.355 8.282 1.00 1.15 H new ATOM 0 HD12 LEU A 18 5.607 10.964 9.469 1.00 1.15 H new ATOM 0 HD13 LEU A 18 7.248 10.518 9.993 1.00 1.15 H new ATOM 0 HD21 LEU A 18 7.396 8.003 8.222 1.00 1.07 H new ATOM 0 HD22 LEU A 18 7.919 8.043 9.923 1.00 1.07 H new ATOM 0 HD23 LEU A 18 6.710 6.850 9.391 1.00 1.07 H new ATOM 276 N GLN A 19 6.466 5.737 11.321 1.00 0.36 N ATOM 277 CA GLN A 19 7.504 4.894 11.906 1.00 0.47 C ATOM 278 C GLN A 19 8.496 5.794 12.652 1.00 0.62 C ATOM 279 O GLN A 19 9.180 6.608 12.033 1.00 0.68 O ATOM 280 CB GLN A 19 8.224 4.081 10.814 1.00 0.49 C ATOM 281 CG GLN A 19 8.538 2.650 11.223 1.00 1.04 C ATOM 282 CD GLN A 19 9.559 2.550 12.336 1.00 2.08 C ATOM 283 OE1 GLN A 19 10.456 3.379 12.449 1.00 2.68 O ATOM 284 NE2 GLN A 19 9.421 1.537 13.175 1.00 2.93 N ATOM 0 H GLN A 19 6.423 5.707 10.302 1.00 0.36 H new ATOM 0 HA GLN A 19 7.054 4.184 12.601 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.604 4.065 9.917 1.00 0.49 H new ATOM 0 HB3 GLN A 19 9.153 4.586 10.551 1.00 0.49 H new ATOM 0 HG2 GLN A 19 7.617 2.161 11.541 1.00 1.04 H new ATOM 0 HG3 GLN A 19 8.905 2.104 10.354 1.00 1.04 H new ATOM 0 HE21 GLN A 19 8.661 0.869 13.047 1.00 2.93 H new ATOM 0 HE22 GLN A 19 10.074 1.424 13.950 1.00 2.93 H new ATOM 293 N PRO A 20 8.575 5.662 13.992 1.00 0.92 N ATOM 294 CA PRO A 20 9.316 6.598 14.860 1.00 1.20 C ATOM 295 C PRO A 20 10.830 6.536 14.709 1.00 1.19 C ATOM 296 O PRO A 20 11.569 7.236 15.399 1.00 1.36 O ATOM 297 CB PRO A 20 8.914 6.178 16.280 1.00 1.58 C ATOM 298 CG PRO A 20 7.753 5.253 16.113 1.00 1.65 C ATOM 299 CD PRO A 20 7.934 4.601 14.775 1.00 1.15 C ATOM 0 HA PRO A 20 9.066 7.627 14.602 1.00 1.20 H new ATOM 0 HB2 PRO A 20 9.740 5.682 16.790 1.00 1.58 H new ATOM 0 HB3 PRO A 20 8.641 7.044 16.882 1.00 1.58 H new ATOM 0 HG2 PRO A 20 7.729 4.509 16.909 1.00 1.65 H new ATOM 0 HG3 PRO A 20 6.810 5.798 16.157 1.00 1.65 H new ATOM 0 HD2 PRO A 20 8.558 3.710 14.839 1.00 1.15 H new ATOM 0 HD3 PRO A 20 6.983 4.294 14.341 1.00 1.15 H new ATOM 307 N GLY A 21 11.269 5.716 13.802 1.00 1.32 N ATOM 308 CA GLY A 21 12.684 5.565 13.530 1.00 1.38 C ATOM 309 C GLY A 21 12.918 5.304 12.064 1.00 1.06 C ATOM 310 O GLY A 21 13.568 4.327 11.688 1.00 1.29 O ATOM 0 H GLY A 21 10.665 5.130 13.226 1.00 1.32 H new ATOM 0 HA2 GLY A 21 13.216 6.466 13.834 1.00 1.38 H new ATOM 0 HA3 GLY A 21 13.087 4.742 14.120 1.00 1.38 H new ATOM 314 N PHE A 22 12.380 6.182 11.232 1.00 0.69 N ATOM 315 CA PHE A 22 12.363 5.952 9.804 1.00 0.51 C ATOM 316 C PHE A 22 13.695 6.299 9.159 1.00 0.51 C ATOM 317 O PHE A 22 14.281 7.350 9.415 1.00 0.68 O ATOM 318 CB PHE A 22 11.245 6.745 9.132 1.00 0.71 C ATOM 319 CG PHE A 22 11.062 6.353 7.698 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.298 5.250 7.374 1.00 0.91 C ATOM 321 CD2 PHE A 22 11.666 7.070 6.681 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.140 4.864 6.063 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.512 6.691 5.364 1.00 2.66 C ATOM 324 CZ PHE A 22 10.747 5.588 5.056 1.00 2.32 C ATOM 0 H PHE A 22 11.950 7.059 11.525 1.00 0.69 H new ATOM 0 HA PHE A 22 12.180 4.887 9.660 1.00 0.51 H new ATOM 0 HB2 PHE A 22 10.312 6.586 9.673 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.470 7.810 9.191 1.00 0.71 H new ATOM 0 HD1 PHE A 22 9.819 4.683 8.159 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.265 7.936 6.921 1.00 2.08 H new ATOM 0 HE1 PHE A 22 9.543 3.997 5.822 1.00 1.43 H new ATOM 0 HE2 PHE A 22 11.989 7.257 4.578 1.00 2.66 H new ATOM 0 HZ PHE A 22 10.622 5.289 4.026 1.00 2.32 H new ATOM 334 N TRP A 23 14.158 5.391 8.318 1.00 0.48 N ATOM 335 CA TRP A 23 15.380 5.582 7.564 1.00 0.57 C ATOM 336 C TRP A 23 15.145 5.152 6.117 1.00 0.50 C ATOM 337 O TRP A 23 14.387 4.211 5.884 1.00 0.51 O ATOM 338 CB TRP A 23 16.513 4.771 8.203 1.00 0.78 C ATOM 339 CG TRP A 23 17.865 5.032 7.611 1.00 1.35 C ATOM 340 CD1 TRP A 23 18.599 4.182 6.836 1.00 2.36 C ATOM 341 CD2 TRP A 23 18.647 6.223 7.756 1.00 2.01 C ATOM 342 NE1 TRP A 23 19.789 4.770 6.492 1.00 3.05 N ATOM 343 CE2 TRP A 23 19.842 6.023 7.043 1.00 2.82 C ATOM 344 CE3 TRP A 23 18.455 7.437 8.421 1.00 2.70 C ATOM 345 CZ2 TRP A 23 20.840 6.994 6.974 1.00 3.70 C ATOM 346 CZ3 TRP A 23 19.444 8.401 8.350 1.00 3.72 C ATOM 347 CH2 TRP A 23 20.623 8.174 7.632 1.00 4.03 C ATOM 0 H TRP A 23 13.695 4.500 8.140 1.00 0.48 H new ATOM 0 HA TRP A 23 15.668 6.633 7.575 1.00 0.57 H new ATOM 0 HB2 TRP A 23 16.547 4.993 9.270 1.00 0.78 H new ATOM 0 HB3 TRP A 23 16.285 3.710 8.105 1.00 0.78 H new ATOM 0 HD1 TRP A 23 18.288 3.192 6.537 1.00 2.36 H new ATOM 0 HE1 TRP A 23 20.517 4.343 5.919 1.00 3.05 H new ATOM 0 HE3 TRP A 23 17.550 7.619 8.981 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 21.752 6.821 6.421 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 19.304 9.344 8.857 1.00 3.72 H new ATOM 0 HH2 TRP A 23 21.377 8.946 7.596 1.00 4.03 H new ATOM 358 N THR A 24 15.761 5.828 5.160 1.00 0.50 N ATOM 359 CA THR A 24 15.552 5.514 3.746 1.00 0.47 C ATOM 360 C THR A 24 15.813 4.037 3.446 1.00 0.46 C ATOM 361 O THR A 24 14.968 3.342 2.875 1.00 0.48 O ATOM 362 CB THR A 24 16.469 6.377 2.864 1.00 0.50 C ATOM 363 OG1 THR A 24 17.575 6.854 3.644 1.00 0.58 O ATOM 364 CG2 THR A 24 15.708 7.547 2.260 1.00 0.53 C ATOM 0 H THR A 24 16.409 6.597 5.331 1.00 0.50 H new ATOM 0 HA THR A 24 14.508 5.732 3.521 1.00 0.47 H new ATOM 0 HB THR A 24 16.840 5.762 2.044 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.160 7.403 3.081 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.382 8.139 1.641 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.889 7.171 1.647 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.306 8.171 3.058 1.00 0.53 H new ATOM 372 N GLU A 25 16.974 3.561 3.876 1.00 0.53 N ATOM 373 CA GLU A 25 17.448 2.235 3.507 1.00 0.60 C ATOM 374 C GLU A 25 16.698 1.119 4.250 1.00 0.60 C ATOM 375 O GLU A 25 16.727 -0.037 3.827 1.00 0.63 O ATOM 376 CB GLU A 25 18.952 2.143 3.768 1.00 0.71 C ATOM 377 CG GLU A 25 19.625 0.943 3.123 1.00 1.31 C ATOM 378 CD GLU A 25 21.130 0.984 3.273 1.00 1.63 C ATOM 379 OE1 GLU A 25 21.625 0.735 4.394 1.00 1.88 O ATOM 380 OE2 GLU A 25 21.826 1.292 2.284 1.00 1.94 O ATOM 0 H GLU A 25 17.608 4.078 4.485 1.00 0.53 H new ATOM 0 HA GLU A 25 17.250 2.090 2.445 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.429 3.052 3.403 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.121 2.105 4.844 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.241 0.028 3.573 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.368 0.910 2.064 1.00 1.31 H new ATOM 387 N ARG A 26 16.010 1.454 5.345 1.00 0.64 N ATOM 388 CA ARG A 26 15.241 0.443 6.079 1.00 0.76 C ATOM 389 C ARG A 26 13.846 0.319 5.478 1.00 0.71 C ATOM 390 O ARG A 26 12.964 -0.330 6.041 1.00 0.87 O ATOM 391 CB ARG A 26 15.140 0.759 7.582 1.00 0.96 C ATOM 392 CG ARG A 26 14.253 1.948 7.918 1.00 1.62 C ATOM 393 CD ARG A 26 14.072 2.107 9.423 1.00 2.07 C ATOM 394 NE ARG A 26 13.208 1.073 9.997 1.00 2.61 N ATOM 395 CZ ARG A 26 13.352 0.587 11.233 1.00 3.42 C ATOM 396 NH1 ARG A 26 14.351 1.007 12.001 1.00 3.88 N ATOM 397 NH2 ARG A 26 12.494 -0.310 11.703 1.00 4.18 N ATOM 0 H ARG A 26 15.968 2.395 5.737 1.00 0.64 H new ATOM 0 HA ARG A 26 15.773 -0.504 5.984 1.00 0.76 H new ATOM 0 HB2 ARG A 26 14.759 -0.121 8.101 1.00 0.96 H new ATOM 0 HB3 ARG A 26 16.141 0.948 7.969 1.00 0.96 H new ATOM 0 HG2 ARG A 26 14.691 2.857 7.506 1.00 1.62 H new ATOM 0 HG3 ARG A 26 13.279 1.821 7.445 1.00 1.62 H new ATOM 0 HD2 ARG A 26 15.047 2.072 9.909 1.00 2.07 H new ATOM 0 HD3 ARG A 26 13.647 3.089 9.633 1.00 2.07 H new ATOM 0 HE ARG A 26 12.453 0.703 9.420 1.00 2.61 H new ATOM 0 HH11 ARG A 26 15.009 1.701 11.647 1.00 3.88 H new ATOM 0 HH12 ARG A 26 14.460 0.635 12.945 1.00 3.88 H new ATOM 0 HH21 ARG A 26 11.721 -0.631 11.120 1.00 4.18 H new ATOM 0 HH22 ARG A 26 12.608 -0.679 12.647 1.00 4.18 H new ATOM 411 N PHE A 27 13.658 0.974 4.345 1.00 0.59 N ATOM 412 CA PHE A 27 12.425 0.877 3.591 1.00 0.61 C ATOM 413 C PHE A 27 12.779 0.582 2.134 1.00 0.51 C ATOM 414 O PHE A 27 12.133 1.058 1.204 1.00 0.72 O ATOM 415 CB PHE A 27 11.630 2.184 3.715 1.00 0.71 C ATOM 416 CG PHE A 27 10.131 2.015 3.628 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.500 1.900 2.399 1.00 1.74 C ATOM 418 CD2 PHE A 27 9.351 1.981 4.778 1.00 0.95 C ATOM 419 CE1 PHE A 27 8.128 1.749 2.318 1.00 2.21 C ATOM 420 CE2 PHE A 27 7.980 1.833 4.699 1.00 1.39 C ATOM 421 CZ PHE A 27 7.368 1.717 3.470 1.00 2.03 C ATOM 0 H PHE A 27 14.357 1.587 3.924 1.00 0.59 H new ATOM 0 HA PHE A 27 11.800 0.074 3.981 1.00 0.61 H new ATOM 0 HB2 PHE A 27 11.875 2.655 4.667 1.00 0.71 H new ATOM 0 HB3 PHE A 27 11.952 2.867 2.929 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.088 1.929 1.493 1.00 1.74 H new ATOM 0 HD2 PHE A 27 9.823 2.071 5.745 1.00 0.95 H new ATOM 0 HE1 PHE A 27 7.651 1.656 1.354 1.00 2.21 H new ATOM 0 HE2 PHE A 27 7.387 1.808 5.601 1.00 1.39 H new ATOM 0 HZ PHE A 27 6.296 1.601 3.408 1.00 2.03 H new ATOM 431 N GLN A 28 13.849 -0.188 1.952 1.00 0.40 N ATOM 432 CA GLN A 28 14.300 -0.570 0.622 1.00 0.31 C ATOM 433 C GLN A 28 14.294 -2.083 0.456 1.00 0.30 C ATOM 434 O GLN A 28 14.709 -2.825 1.348 1.00 0.37 O ATOM 435 CB GLN A 28 15.700 -0.010 0.345 1.00 0.28 C ATOM 436 CG GLN A 28 16.407 -0.673 -0.829 1.00 0.45 C ATOM 437 CD GLN A 28 17.756 -0.052 -1.139 1.00 0.77 C ATOM 438 OE1 GLN A 28 17.856 0.859 -1.955 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.803 -0.535 -0.490 1.00 1.23 N ATOM 0 H GLN A 28 14.419 -0.559 2.712 1.00 0.40 H new ATOM 0 HA GLN A 28 13.605 -0.145 -0.102 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.621 1.060 0.152 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.312 -0.129 1.239 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.543 -1.733 -0.612 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.772 -0.607 -1.712 1.00 0.45 H new ATOM 0 HE21 GLN A 28 18.682 -1.293 0.182 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.732 -0.149 -0.661 1.00 1.23 H new ATOM 448 N GLY A 29 13.831 -2.525 -0.699 1.00 0.29 N ATOM 449 CA GLY A 29 13.775 -3.940 -0.990 1.00 0.32 C ATOM 450 C GLY A 29 12.394 -4.392 -1.399 1.00 0.30 C ATOM 451 O GLY A 29 11.536 -3.573 -1.731 1.00 0.28 O ATOM 0 H GLY A 29 13.489 -1.923 -1.448 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.481 -4.172 -1.788 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.092 -4.501 -0.111 1.00 0.32 H new ATOM 455 N ARG A 30 12.179 -5.697 -1.376 1.00 0.35 N ATOM 456 CA ARG A 30 10.921 -6.271 -1.823 1.00 0.36 C ATOM 457 C ARG A 30 9.976 -6.501 -0.650 1.00 0.39 C ATOM 458 O ARG A 30 10.304 -7.233 0.281 1.00 0.51 O ATOM 459 CB ARG A 30 11.151 -7.608 -2.537 1.00 0.46 C ATOM 460 CG ARG A 30 11.807 -7.500 -3.907 1.00 0.51 C ATOM 461 CD ARG A 30 13.288 -7.178 -3.826 1.00 0.66 C ATOM 462 NE ARG A 30 14.055 -8.304 -3.305 1.00 1.20 N ATOM 463 CZ ARG A 30 15.316 -8.222 -2.896 1.00 1.70 C ATOM 464 NH1 ARG A 30 15.970 -7.070 -2.973 1.00 1.65 N ATOM 465 NH2 ARG A 30 15.924 -9.303 -2.433 1.00 2.57 N ATOM 0 H ARG A 30 12.862 -6.381 -1.051 1.00 0.35 H new ATOM 0 HA ARG A 30 10.473 -5.559 -2.516 1.00 0.36 H new ATOM 0 HB2 ARG A 30 11.772 -8.240 -1.902 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.192 -8.113 -2.649 1.00 0.46 H new ATOM 0 HG2 ARG A 30 11.673 -8.439 -4.444 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.303 -6.727 -4.486 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.658 -6.912 -4.816 1.00 0.66 H new ATOM 0 HD3 ARG A 30 13.437 -6.308 -3.186 1.00 0.66 H new ATOM 0 HE ARG A 30 13.594 -9.212 -3.251 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.504 -6.243 -3.347 1.00 1.65 H new ATOM 0 HH12 ARG A 30 16.938 -7.011 -2.658 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.424 -10.191 -2.392 1.00 2.57 H new ATOM 0 HH22 ARG A 30 16.892 -9.248 -2.117 1.00 2.57 H new ATOM 479 N TRP A 31 8.810 -5.875 -0.694 1.00 0.34 N ATOM 480 CA TRP A 31 7.779 -6.131 0.299 1.00 0.42 C ATOM 481 C TRP A 31 6.549 -6.749 -0.354 1.00 0.34 C ATOM 482 O TRP A 31 6.019 -6.228 -1.339 1.00 0.34 O ATOM 483 CB TRP A 31 7.403 -4.850 1.043 1.00 0.55 C ATOM 484 CG TRP A 31 8.098 -4.703 2.366 1.00 0.85 C ATOM 485 CD1 TRP A 31 7.565 -4.956 3.595 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.448 -4.275 2.596 1.00 0.74 C ATOM 487 NE1 TRP A 31 8.494 -4.710 4.575 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.657 -4.290 3.988 1.00 0.91 C ATOM 489 CE3 TRP A 31 10.500 -3.879 1.764 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.871 -3.927 4.563 1.00 0.90 C ATOM 491 CZ3 TRP A 31 11.703 -3.519 2.338 1.00 2.36 C ATOM 492 CH2 TRP A 31 11.881 -3.544 3.726 1.00 1.70 C ATOM 0 H TRP A 31 8.555 -5.189 -1.404 1.00 0.34 H new ATOM 0 HA TRP A 31 8.179 -6.838 1.025 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.644 -3.991 0.417 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.325 -4.835 1.204 1.00 0.55 H new ATOM 0 HD1 TRP A 31 6.557 -5.300 3.772 1.00 1.94 H new ATOM 0 HE1 TRP A 31 8.342 -4.822 5.577 1.00 1.91 H new ATOM 0 HE3 TRP A 31 10.374 -3.855 0.692 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.010 -3.947 5.634 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 12.522 -3.212 1.704 1.00 2.36 H new ATOM 0 HH2 TRP A 31 12.834 -3.255 4.143 1.00 1.70 H new ATOM 503 N PHE A 32 6.120 -7.875 0.194 1.00 0.31 N ATOM 504 CA PHE A 32 4.961 -8.595 -0.316 1.00 0.30 C ATOM 505 C PHE A 32 3.700 -8.164 0.410 1.00 0.29 C ATOM 506 O PHE A 32 3.745 -7.819 1.586 1.00 0.33 O ATOM 507 CB PHE A 32 5.146 -10.104 -0.134 1.00 0.38 C ATOM 508 CG PHE A 32 6.076 -10.732 -1.127 1.00 0.63 C ATOM 509 CD1 PHE A 32 5.642 -10.999 -2.411 1.00 0.68 C ATOM 510 CD2 PHE A 32 7.371 -11.073 -0.774 1.00 1.10 C ATOM 511 CE1 PHE A 32 6.480 -11.593 -3.331 1.00 1.17 C ATOM 512 CE2 PHE A 32 8.218 -11.667 -1.691 1.00 1.62 C ATOM 513 CZ PHE A 32 7.769 -11.929 -2.972 1.00 1.64 C ATOM 0 H PHE A 32 6.562 -8.315 1.001 1.00 0.31 H new ATOM 0 HA PHE A 32 4.865 -8.363 -1.377 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.523 -10.294 0.871 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.173 -10.590 -0.207 1.00 0.38 H new ATOM 0 HD1 PHE A 32 4.634 -10.739 -2.698 1.00 0.68 H new ATOM 0 HD2 PHE A 32 7.723 -10.873 0.227 1.00 1.10 H new ATOM 0 HE1 PHE A 32 6.128 -11.795 -4.332 1.00 1.17 H new ATOM 0 HE2 PHE A 32 9.228 -11.926 -1.407 1.00 1.62 H new ATOM 0 HZ PHE A 32 8.426 -12.396 -3.691 1.00 1.64 H new ATOM 523 N VAL A 33 2.577 -8.185 -0.291 1.00 0.28 N ATOM 524 CA VAL A 33 1.298 -7.898 0.338 1.00 0.30 C ATOM 525 C VAL A 33 0.800 -9.127 1.070 1.00 0.31 C ATOM 526 O VAL A 33 0.542 -10.156 0.456 1.00 0.52 O ATOM 527 CB VAL A 33 0.220 -7.472 -0.676 1.00 0.34 C ATOM 528 CG1 VAL A 33 -1.011 -6.941 0.041 1.00 0.74 C ATOM 529 CG2 VAL A 33 0.762 -6.444 -1.638 1.00 0.74 C ATOM 0 H VAL A 33 2.525 -8.396 -1.288 1.00 0.28 H new ATOM 0 HA VAL A 33 1.467 -7.069 1.026 1.00 0.30 H new ATOM 0 HB VAL A 33 -0.071 -8.352 -1.250 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.761 -6.645 -0.693 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -1.421 -7.719 0.685 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.735 -6.077 0.646 1.00 0.74 H new ATOM 0 HG21 VAL A 33 -0.018 -6.159 -2.344 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.089 -5.564 -1.084 1.00 0.74 H new ATOM 0 HG23 VAL A 33 1.608 -6.865 -2.182 1.00 0.74 H new ATOM 539 N VAL A 34 0.680 -9.025 2.378 1.00 0.20 N ATOM 540 CA VAL A 34 0.173 -10.125 3.176 1.00 0.25 C ATOM 541 C VAL A 34 -1.204 -9.750 3.745 1.00 0.28 C ATOM 542 O VAL A 34 -1.765 -10.446 4.596 1.00 0.47 O ATOM 543 CB VAL A 34 1.155 -10.493 4.316 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.841 -11.865 4.893 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.596 -10.442 3.829 1.00 0.29 C ATOM 0 H VAL A 34 0.926 -8.192 2.912 1.00 0.20 H new ATOM 0 HA VAL A 34 0.073 -11.003 2.538 1.00 0.25 H new ATOM 0 HB VAL A 34 1.030 -9.755 5.108 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.547 -12.095 5.691 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.173 -11.868 5.294 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.923 -12.617 4.108 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.266 -10.704 4.648 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.729 -11.150 3.011 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.827 -9.436 3.480 1.00 0.29 H new ATOM 555 N GLY A 35 -1.737 -8.624 3.277 1.00 0.19 N ATOM 556 CA GLY A 35 -3.105 -8.252 3.600 1.00 0.19 C ATOM 557 C GLY A 35 -3.463 -6.885 3.048 1.00 0.17 C ATOM 558 O GLY A 35 -2.569 -6.094 2.742 1.00 0.18 O ATOM 0 H GLY A 35 -1.245 -7.961 2.678 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.789 -8.998 3.196 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.236 -8.253 4.682 1.00 0.19 H new ATOM 562 N LEU A 36 -4.756 -6.597 2.912 1.00 0.17 N ATOM 563 CA LEU A 36 -5.182 -5.313 2.373 1.00 0.18 C ATOM 564 C LEU A 36 -6.554 -4.900 2.900 1.00 0.16 C ATOM 565 O LEU A 36 -7.489 -5.691 2.919 1.00 0.18 O ATOM 566 CB LEU A 36 -5.229 -5.360 0.849 1.00 0.20 C ATOM 567 CG LEU A 36 -5.245 -3.989 0.180 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.861 -3.360 0.230 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.745 -4.091 -1.246 1.00 0.30 C ATOM 0 H LEU A 36 -5.516 -7.228 3.165 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.449 -4.575 2.699 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.365 -5.918 0.487 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -6.117 -5.912 0.541 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.933 -3.345 0.728 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.888 -2.382 -0.251 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.551 -3.245 1.269 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.151 -4.001 -0.292 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.748 -3.101 -1.702 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -5.090 -4.751 -1.815 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.758 -4.494 -1.249 1.00 0.30 H new ATOM 581 N ALA A 37 -6.661 -3.648 3.292 1.00 0.17 N ATOM 582 CA ALA A 37 -7.903 -3.083 3.803 1.00 0.18 C ATOM 583 C ALA A 37 -8.129 -1.727 3.166 1.00 0.24 C ATOM 584 O ALA A 37 -7.175 -1.090 2.748 1.00 0.43 O ATOM 585 CB ALA A 37 -7.830 -2.910 5.313 1.00 0.25 C ATOM 0 H ALA A 37 -5.886 -2.985 3.267 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.722 -3.760 3.562 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.766 -2.487 5.676 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.663 -3.879 5.783 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -7.008 -2.240 5.563 1.00 0.25 H new ATOM 591 N GLY A 38 -9.371 -1.289 3.075 1.00 0.22 N ATOM 592 CA GLY A 38 -9.641 0.035 2.553 1.00 0.26 C ATOM 593 C GLY A 38 -10.924 0.106 1.768 1.00 0.25 C ATOM 594 O GLY A 38 -11.336 -0.867 1.158 1.00 0.26 O ATOM 0 H GLY A 38 -10.196 -1.822 3.351 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.688 0.743 3.380 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.813 0.344 1.915 1.00 0.26 H new ATOM 598 N ASN A 39 -11.562 1.265 1.766 1.00 0.26 N ATOM 599 CA ASN A 39 -12.832 1.402 1.075 1.00 0.27 C ATOM 600 C ASN A 39 -12.608 1.416 -0.437 1.00 0.32 C ATOM 601 O ASN A 39 -13.504 1.099 -1.215 1.00 0.40 O ATOM 602 CB ASN A 39 -13.592 2.650 1.548 1.00 0.31 C ATOM 603 CG ASN A 39 -14.797 2.985 0.677 1.00 1.08 C ATOM 604 OD1 ASN A 39 -15.880 2.435 0.862 1.00 1.94 O ATOM 605 ND2 ASN A 39 -14.629 3.912 -0.255 1.00 1.73 N ATOM 0 H ASN A 39 -11.228 2.111 2.227 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.455 0.541 1.318 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.925 2.497 2.575 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.911 3.501 1.557 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -15.413 4.189 -0.846 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -13.716 4.348 -0.382 1.00 1.73 H new ATOM 612 N ALA A 40 -11.387 1.761 -0.841 1.00 0.34 N ATOM 613 CA ALA A 40 -11.001 1.713 -2.247 1.00 0.41 C ATOM 614 C ALA A 40 -10.471 0.324 -2.597 1.00 0.39 C ATOM 615 O ALA A 40 -10.066 0.059 -3.728 1.00 0.45 O ATOM 616 CB ALA A 40 -9.965 2.783 -2.557 1.00 0.46 C ATOM 0 H ALA A 40 -10.648 2.077 -0.213 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.881 1.913 -2.859 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.691 2.730 -3.611 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -10.382 3.767 -2.340 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -9.079 2.620 -1.943 1.00 0.46 H new ATOM 622 N VAL A 41 -10.452 -0.547 -1.596 1.00 0.34 N ATOM 623 CA VAL A 41 -10.132 -1.954 -1.789 1.00 0.33 C ATOM 624 C VAL A 41 -11.311 -2.668 -2.440 1.00 0.42 C ATOM 625 O VAL A 41 -12.445 -2.568 -1.963 1.00 0.46 O ATOM 626 CB VAL A 41 -9.786 -2.645 -0.439 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.930 -4.165 -0.514 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.377 -2.267 -0.013 1.00 0.30 C ATOM 0 H VAL A 41 -10.658 -0.297 -0.629 1.00 0.34 H new ATOM 0 HA VAL A 41 -9.259 -2.015 -2.439 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.500 -2.293 0.305 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.678 -4.602 0.452 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.958 -4.421 -0.771 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.257 -4.557 -1.277 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.140 -2.754 0.933 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.668 -2.590 -0.775 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.311 -1.186 0.109 1.00 0.30 H new ATOM 638 N GLN A 42 -11.052 -3.367 -3.540 1.00 0.55 N ATOM 639 CA GLN A 42 -12.090 -4.146 -4.196 1.00 0.69 C ATOM 640 C GLN A 42 -12.397 -5.396 -3.380 1.00 0.60 C ATOM 641 O GLN A 42 -11.937 -6.502 -3.686 1.00 0.70 O ATOM 642 CB GLN A 42 -11.679 -4.511 -5.624 1.00 0.93 C ATOM 643 CG GLN A 42 -11.528 -3.301 -6.531 1.00 1.49 C ATOM 644 CD GLN A 42 -11.189 -3.666 -7.964 1.00 1.84 C ATOM 645 OE1 GLN A 42 -10.484 -4.771 -8.152 1.00 2.44 O flip ATOM 646 NE2 GLN A 42 -11.558 -2.954 -8.898 1.00 2.35 N flip ATOM 0 H GLN A 42 -10.138 -3.409 -3.992 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.994 -3.540 -4.258 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -10.735 -5.056 -5.596 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -12.423 -5.185 -6.049 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -12.455 -2.728 -6.519 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -10.747 -2.653 -6.134 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -12.100 -2.110 -8.713 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -11.322 -3.208 -9.857 1.00 2.35 H new ATOM 655 N LYS A 43 -13.174 -5.196 -2.332 1.00 0.50 N ATOM 656 CA LYS A 43 -13.578 -6.264 -1.443 1.00 0.48 C ATOM 657 C LYS A 43 -15.002 -6.683 -1.801 1.00 0.59 C ATOM 658 O LYS A 43 -15.966 -6.278 -1.158 1.00 0.69 O ATOM 659 CB LYS A 43 -13.488 -5.774 0.005 1.00 0.43 C ATOM 660 CG LYS A 43 -13.236 -6.862 1.032 1.00 0.57 C ATOM 661 CD LYS A 43 -14.163 -8.045 0.916 1.00 0.55 C ATOM 662 CE LYS A 43 -13.535 -9.231 1.606 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.617 -9.130 3.087 1.00 0.97 N ATOM 0 H LYS A 43 -13.544 -4.281 -2.074 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.922 -7.128 -1.550 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.689 -5.036 0.075 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.417 -5.263 0.259 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -12.207 -7.209 0.933 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.333 -6.434 2.030 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -15.127 -7.813 1.368 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -14.350 -8.275 -0.133 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -14.032 -10.144 1.278 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.490 -9.311 1.307 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -12.658 -9.082 3.485 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.144 -8.272 3.348 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -14.107 -9.966 3.465 1.00 0.97 H new ATOM 677 N GLU A 44 -15.110 -7.486 -2.846 1.00 0.68 N ATOM 678 CA GLU A 44 -16.412 -7.886 -3.387 1.00 0.80 C ATOM 679 C GLU A 44 -17.215 -8.712 -2.392 1.00 0.76 C ATOM 680 O GLU A 44 -18.330 -8.348 -2.010 1.00 0.88 O ATOM 681 CB GLU A 44 -16.228 -8.661 -4.693 1.00 0.94 C ATOM 682 CG GLU A 44 -15.012 -9.575 -4.709 1.00 0.95 C ATOM 683 CD GLU A 44 -14.852 -10.302 -6.026 1.00 1.59 C ATOM 684 OE1 GLU A 44 -14.661 -9.629 -7.057 1.00 2.22 O ATOM 685 OE2 GLU A 44 -14.901 -11.545 -6.029 1.00 2.00 O ATOM 0 H GLU A 44 -14.311 -7.879 -3.344 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.977 -6.975 -3.585 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -17.121 -9.259 -4.876 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -16.146 -7.951 -5.516 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -14.116 -8.986 -4.511 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -15.099 -10.304 -3.903 1.00 0.95 H new ATOM 692 N ARG A 45 -16.635 -9.819 -1.981 1.00 0.70 N ATOM 693 CA ARG A 45 -17.263 -10.724 -1.039 1.00 0.79 C ATOM 694 C ARG A 45 -16.199 -11.654 -0.504 1.00 0.79 C ATOM 695 O ARG A 45 -16.181 -11.997 0.676 1.00 0.90 O ATOM 696 CB ARG A 45 -18.375 -11.534 -1.712 1.00 0.94 C ATOM 697 CG ARG A 45 -19.175 -12.392 -0.743 1.00 1.54 C ATOM 698 CD ARG A 45 -20.126 -13.325 -1.473 1.00 1.86 C ATOM 699 NE ARG A 45 -19.413 -14.324 -2.269 1.00 2.25 N ATOM 700 CZ ARG A 45 -20.010 -15.292 -2.963 1.00 2.90 C ATOM 701 NH1 ARG A 45 -21.336 -15.386 -2.979 1.00 3.09 N ATOM 702 NH2 ARG A 45 -19.275 -16.163 -3.644 1.00 3.78 N ATOM 0 H ARG A 45 -15.711 -10.119 -2.291 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.716 -10.152 -0.229 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -19.053 -10.850 -2.223 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -17.935 -12.176 -2.475 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -18.493 -12.977 -0.126 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -19.741 -11.749 -0.070 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -20.766 -13.829 -0.749 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -20.778 -12.742 -2.123 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.394 -14.276 -2.294 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -21.901 -14.715 -2.458 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -21.788 -16.129 -3.512 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -18.258 -16.089 -3.634 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -19.728 -16.906 -4.177 1.00 3.78 H new ATOM 716 N GLN A 46 -15.292 -12.039 -1.393 1.00 0.80 N ATOM 717 CA GLN A 46 -14.179 -12.889 -1.017 1.00 0.94 C ATOM 718 C GLN A 46 -12.870 -12.105 -1.054 1.00 0.86 C ATOM 719 O GLN A 46 -12.506 -11.463 -0.073 1.00 0.94 O ATOM 720 CB GLN A 46 -14.099 -14.160 -1.889 1.00 1.13 C ATOM 721 CG GLN A 46 -14.472 -13.967 -3.358 1.00 1.36 C ATOM 722 CD GLN A 46 -15.972 -13.930 -3.595 1.00 1.85 C ATOM 723 OE1 GLN A 46 -16.744 -14.546 -2.864 1.00 2.42 O ATOM 724 NE2 GLN A 46 -16.392 -13.201 -4.615 1.00 2.45 N ATOM 0 H GLN A 46 -15.309 -11.774 -2.378 1.00 0.80 H new ATOM 0 HA GLN A 46 -14.350 -13.222 0.007 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -13.084 -14.553 -1.837 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -14.756 -14.917 -1.461 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.031 -13.038 -3.719 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -14.038 -14.776 -3.946 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -15.719 -12.704 -5.198 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -17.389 -13.135 -4.818 1.00 2.45 H new ATOM 733 N SER A 47 -12.188 -12.116 -2.188 1.00 0.79 N ATOM 734 CA SER A 47 -10.925 -11.405 -2.335 1.00 0.80 C ATOM 735 C SER A 47 -10.587 -11.214 -3.810 1.00 0.82 C ATOM 736 O SER A 47 -9.913 -12.044 -4.415 1.00 0.93 O ATOM 737 CB SER A 47 -9.789 -12.162 -1.635 1.00 0.93 C ATOM 738 OG SER A 47 -9.940 -12.139 -0.224 1.00 1.58 O ATOM 0 H SER A 47 -12.489 -12.613 -3.026 1.00 0.79 H new ATOM 0 HA SER A 47 -11.034 -10.427 -1.867 1.00 0.80 H new ATOM 0 HB2 SER A 47 -9.770 -13.195 -1.983 1.00 0.93 H new ATOM 0 HB3 SER A 47 -8.832 -11.717 -1.907 1.00 0.93 H new ATOM 0 HG SER A 47 -10.699 -11.567 0.014 1.00 1.58 H new ATOM 744 N ARG A 48 -11.078 -10.125 -4.392 1.00 0.81 N ATOM 745 CA ARG A 48 -10.733 -9.784 -5.767 1.00 0.90 C ATOM 746 C ARG A 48 -9.278 -9.339 -5.832 1.00 0.92 C ATOM 747 O ARG A 48 -8.612 -9.486 -6.859 1.00 1.64 O ATOM 748 CB ARG A 48 -11.656 -8.683 -6.304 1.00 0.95 C ATOM 749 CG ARG A 48 -11.367 -8.277 -7.747 1.00 1.22 C ATOM 750 CD ARG A 48 -11.359 -9.478 -8.682 1.00 1.72 C ATOM 751 NE ARG A 48 -12.617 -10.219 -8.641 1.00 2.25 N ATOM 752 CZ ARG A 48 -12.898 -11.256 -9.423 1.00 2.93 C ATOM 753 NH1 ARG A 48 -12.034 -11.652 -10.350 1.00 3.36 N ATOM 754 NH2 ARG A 48 -14.048 -11.895 -9.277 1.00 3.61 N ATOM 0 H ARG A 48 -11.712 -9.468 -3.937 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.866 -10.667 -6.393 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.689 -9.023 -6.233 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.566 -7.804 -5.665 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -12.119 -7.562 -8.081 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -10.402 -7.772 -7.796 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -11.171 -9.141 -9.701 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -10.539 -10.143 -8.410 1.00 1.72 H new ATOM 0 HE ARG A 48 -13.325 -9.922 -7.969 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -11.148 -11.159 -10.465 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -12.256 -12.449 -10.947 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -14.714 -11.591 -8.567 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -14.268 -12.692 -9.875 1.00 3.61 H new ATOM 768 N PHE A 49 -8.791 -8.809 -4.718 1.00 0.49 N ATOM 769 CA PHE A 49 -7.399 -8.414 -4.611 1.00 0.42 C ATOM 770 C PHE A 49 -6.510 -9.651 -4.603 1.00 0.59 C ATOM 771 O PHE A 49 -6.970 -10.765 -4.364 1.00 1.46 O ATOM 772 CB PHE A 49 -7.167 -7.584 -3.342 1.00 0.35 C ATOM 773 CG PHE A 49 -5.753 -7.104 -3.161 1.00 0.32 C ATOM 774 CD1 PHE A 49 -5.180 -6.223 -4.066 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.994 -7.553 -2.090 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.878 -5.795 -3.902 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.690 -7.128 -1.924 1.00 0.30 C ATOM 778 CZ PHE A 49 -3.130 -6.248 -2.831 1.00 0.37 C ATOM 0 H PHE A 49 -9.343 -8.644 -3.876 1.00 0.49 H new ATOM 0 HA PHE A 49 -7.144 -7.797 -5.473 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.831 -6.720 -3.362 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.448 -8.182 -2.475 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.758 -5.869 -4.907 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.427 -8.241 -1.379 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.443 -5.106 -4.611 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -3.108 -7.483 -1.086 1.00 0.30 H new ATOM 0 HZ PHE A 49 -2.111 -5.915 -2.703 1.00 0.37 H new ATOM 788 N THR A 50 -5.246 -9.434 -4.875 1.00 0.46 N ATOM 789 CA THR A 50 -4.256 -10.493 -4.960 1.00 0.42 C ATOM 790 C THR A 50 -2.896 -9.869 -4.661 1.00 0.47 C ATOM 791 O THR A 50 -2.661 -8.718 -5.031 1.00 0.84 O ATOM 792 CB THR A 50 -4.249 -11.139 -6.367 1.00 0.42 C ATOM 793 OG1 THR A 50 -5.567 -11.091 -6.933 1.00 0.89 O ATOM 794 CG2 THR A 50 -3.799 -12.589 -6.298 1.00 0.82 C ATOM 0 H THR A 50 -4.865 -8.504 -5.047 1.00 0.46 H new ATOM 0 HA THR A 50 -4.490 -11.281 -4.245 1.00 0.42 H new ATOM 0 HB THR A 50 -3.552 -10.579 -6.990 1.00 0.42 H new ATOM 0 HG1 THR A 50 -5.556 -11.500 -7.824 1.00 0.89 H new ATOM 0 HG21 THR A 50 -3.803 -13.019 -7.299 1.00 0.82 H new ATOM 0 HG22 THR A 50 -2.791 -12.638 -5.886 1.00 0.82 H new ATOM 0 HG23 THR A 50 -4.480 -13.151 -5.659 1.00 0.82 H new ATOM 802 N MET A 51 -2.019 -10.587 -3.966 1.00 0.25 N ATOM 803 CA MET A 51 -0.767 -9.982 -3.513 1.00 0.24 C ATOM 804 C MET A 51 0.151 -9.639 -4.671 1.00 0.26 C ATOM 805 O MET A 51 0.226 -10.350 -5.673 1.00 0.29 O ATOM 806 CB MET A 51 -0.006 -10.869 -2.523 1.00 0.25 C ATOM 807 CG MET A 51 0.467 -12.193 -3.095 1.00 0.31 C ATOM 808 SD MET A 51 1.513 -13.118 -1.948 1.00 0.50 S ATOM 809 CE MET A 51 0.466 -13.218 -0.492 1.00 1.00 C ATOM 0 H MET A 51 -2.145 -11.566 -3.708 1.00 0.25 H new ATOM 0 HA MET A 51 -1.061 -9.065 -3.003 1.00 0.24 H new ATOM 0 HB2 MET A 51 0.859 -10.318 -2.153 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.649 -11.068 -1.665 1.00 0.25 H new ATOM 0 HG2 MET A 51 -0.399 -12.800 -3.359 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.020 -12.009 -4.016 1.00 0.31 H new ATOM 0 HE1 MET A 51 0.626 -14.174 0.006 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.715 -12.406 0.192 1.00 1.00 H new ATOM 0 HE3 MET A 51 -0.579 -13.134 -0.789 1.00 1.00 H new ATOM 819 N TYR A 52 0.834 -8.528 -4.507 1.00 0.28 N ATOM 820 CA TYR A 52 1.897 -8.122 -5.399 1.00 0.32 C ATOM 821 C TYR A 52 3.086 -7.659 -4.571 1.00 0.30 C ATOM 822 O TYR A 52 3.016 -7.635 -3.343 1.00 0.30 O ATOM 823 CB TYR A 52 1.436 -7.020 -6.366 1.00 0.42 C ATOM 824 CG TYR A 52 0.611 -5.896 -5.758 1.00 0.48 C ATOM 825 CD1 TYR A 52 0.989 -5.258 -4.582 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.542 -5.453 -6.396 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.238 -4.219 -4.059 1.00 0.61 C ATOM 828 CE2 TYR A 52 -1.296 -4.418 -5.876 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.902 -3.806 -4.708 1.00 0.71 C ATOM 830 OH TYR A 52 -1.655 -2.774 -4.190 1.00 0.85 O ATOM 0 H TYR A 52 0.665 -7.874 -3.743 1.00 0.28 H new ATOM 0 HA TYR A 52 2.189 -8.975 -6.012 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.318 -6.583 -6.834 1.00 0.42 H new ATOM 0 HB3 TYR A 52 0.851 -7.484 -7.160 1.00 0.42 H new ATOM 0 HD1 TYR A 52 1.883 -5.578 -4.068 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.854 -5.926 -7.315 1.00 0.61 H new ATOM 0 HE1 TYR A 52 0.546 -3.734 -3.144 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -2.191 -4.091 -6.384 1.00 0.72 H new ATOM 0 HH TYR A 52 -2.426 -2.608 -4.772 1.00 0.85 H new ATOM 840 N SER A 53 4.180 -7.333 -5.225 1.00 0.33 N ATOM 841 CA SER A 53 5.347 -6.833 -4.526 1.00 0.33 C ATOM 842 C SER A 53 5.517 -5.349 -4.782 1.00 0.37 C ATOM 843 O SER A 53 5.525 -4.912 -5.929 1.00 0.52 O ATOM 844 CB SER A 53 6.608 -7.597 -4.957 1.00 0.40 C ATOM 845 OG SER A 53 6.392 -8.992 -4.883 1.00 0.93 O ATOM 0 H SER A 53 4.287 -7.404 -6.237 1.00 0.33 H new ATOM 0 HA SER A 53 5.200 -6.990 -3.457 1.00 0.33 H new ATOM 0 HB2 SER A 53 6.879 -7.319 -5.976 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.445 -7.318 -4.317 1.00 0.40 H new ATOM 0 HG SER A 53 6.476 -9.287 -3.952 1.00 0.93 H new ATOM 851 N THR A 54 5.594 -4.576 -3.714 1.00 0.31 N ATOM 852 CA THR A 54 6.012 -3.195 -3.823 1.00 0.33 C ATOM 853 C THR A 54 7.488 -3.154 -3.479 1.00 0.29 C ATOM 854 O THR A 54 7.873 -3.257 -2.316 1.00 0.27 O ATOM 855 CB THR A 54 5.213 -2.283 -2.871 1.00 0.37 C ATOM 856 OG1 THR A 54 3.847 -2.716 -2.831 1.00 0.43 O ATOM 857 CG2 THR A 54 5.258 -0.833 -3.342 1.00 0.43 C ATOM 0 H THR A 54 5.373 -4.881 -2.766 1.00 0.31 H new ATOM 0 HA THR A 54 5.829 -2.827 -4.832 1.00 0.33 H new ATOM 0 HB THR A 54 5.660 -2.346 -1.879 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.488 -2.583 -1.929 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.687 -0.209 -2.654 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.293 -0.491 -3.369 1.00 0.43 H new ATOM 0 HG23 THR A 54 4.826 -0.761 -4.340 1.00 0.43 H new ATOM 865 N ILE A 55 8.311 -3.045 -4.497 1.00 0.30 N ATOM 866 CA ILE A 55 9.742 -3.164 -4.313 1.00 0.28 C ATOM 867 C ILE A 55 10.407 -1.808 -4.406 1.00 0.24 C ATOM 868 O ILE A 55 10.692 -1.323 -5.495 1.00 0.26 O ATOM 869 CB ILE A 55 10.342 -4.125 -5.354 1.00 0.34 C ATOM 870 CG1 ILE A 55 9.590 -5.464 -5.303 1.00 0.50 C ATOM 871 CG2 ILE A 55 11.830 -4.317 -5.089 1.00 0.32 C ATOM 872 CD1 ILE A 55 9.935 -6.428 -6.421 1.00 0.72 C ATOM 0 H ILE A 55 8.017 -2.875 -5.459 1.00 0.30 H new ATOM 0 HA ILE A 55 9.925 -3.571 -3.318 1.00 0.28 H new ATOM 0 HB ILE A 55 10.232 -3.703 -6.353 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.799 -5.946 -4.348 1.00 0.50 H new ATOM 0 HG13 ILE A 55 8.519 -5.265 -5.331 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.247 -4.999 -5.830 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.338 -3.355 -5.154 1.00 0.32 H new ATOM 0 HG23 ILE A 55 11.971 -4.735 -4.092 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.357 -7.344 -6.303 1.00 0.72 H new ATOM 0 HD12 ILE A 55 9.698 -5.971 -7.382 1.00 0.72 H new ATOM 0 HD13 ILE A 55 10.999 -6.663 -6.383 1.00 0.72 H new ATOM 884 N TYR A 56 10.640 -1.200 -3.256 1.00 0.25 N ATOM 885 CA TYR A 56 11.183 0.144 -3.203 1.00 0.27 C ATOM 886 C TYR A 56 12.702 0.103 -3.246 1.00 0.30 C ATOM 887 O TYR A 56 13.344 -0.380 -2.319 1.00 0.36 O ATOM 888 CB TYR A 56 10.726 0.864 -1.935 1.00 0.32 C ATOM 889 CG TYR A 56 9.605 0.173 -1.178 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.272 0.283 -1.576 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.884 -0.573 -0.040 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.266 -0.333 -0.858 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.880 -1.193 0.673 1.00 1.01 C ATOM 894 CZ TYR A 56 7.573 -1.069 0.262 1.00 0.79 C ATOM 895 OH TYR A 56 6.568 -1.679 0.977 1.00 1.02 O ATOM 0 H TYR A 56 10.460 -1.619 -2.343 1.00 0.25 H new ATOM 0 HA TYR A 56 10.814 0.691 -4.070 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.581 0.974 -1.268 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.399 1.869 -2.203 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.024 0.857 -2.457 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.907 -0.669 0.293 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.238 -0.237 -1.176 1.00 0.43 H new ATOM 0 HE2 TYR A 56 9.119 -1.774 1.551 1.00 1.01 H new ATOM 0 HH TYR A 56 6.954 -2.160 1.739 1.00 1.02 H new ATOM 905 N GLU A 57 13.271 0.603 -4.326 1.00 0.33 N ATOM 906 CA GLU A 57 14.715 0.618 -4.486 1.00 0.41 C ATOM 907 C GLU A 57 15.212 2.065 -4.489 1.00 0.36 C ATOM 908 O GLU A 57 14.716 2.896 -5.246 1.00 0.42 O ATOM 909 CB GLU A 57 15.091 -0.083 -5.793 1.00 0.52 C ATOM 910 CG GLU A 57 16.402 -0.848 -5.742 1.00 1.13 C ATOM 911 CD GLU A 57 16.316 -2.120 -4.914 1.00 1.56 C ATOM 912 OE1 GLU A 57 15.493 -2.998 -5.244 1.00 1.84 O ATOM 913 OE2 GLU A 57 17.093 -2.260 -3.946 1.00 2.33 O ATOM 0 H GLU A 57 12.755 1.006 -5.108 1.00 0.33 H new ATOM 0 HA GLU A 57 15.185 0.088 -3.658 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.292 -0.774 -6.063 1.00 0.52 H new ATOM 0 HB3 GLU A 57 15.150 0.662 -6.586 1.00 0.52 H new ATOM 0 HG2 GLU A 57 16.708 -1.102 -6.757 1.00 1.13 H new ATOM 0 HG3 GLU A 57 17.177 -0.203 -5.328 1.00 1.13 H new ATOM 920 N LEU A 58 16.182 2.364 -3.639 1.00 0.41 N ATOM 921 CA LEU A 58 16.652 3.734 -3.448 1.00 0.42 C ATOM 922 C LEU A 58 17.461 4.254 -4.630 1.00 0.43 C ATOM 923 O LEU A 58 18.225 3.515 -5.254 1.00 0.60 O ATOM 924 CB LEU A 58 17.498 3.817 -2.178 1.00 0.62 C ATOM 925 CG LEU A 58 16.777 4.381 -0.960 1.00 0.58 C ATOM 926 CD1 LEU A 58 17.383 3.837 0.319 1.00 1.24 C ATOM 927 CD2 LEU A 58 16.859 5.897 -0.978 1.00 1.24 C ATOM 0 H LEU A 58 16.664 1.673 -3.065 1.00 0.41 H new ATOM 0 HA LEU A 58 15.766 4.363 -3.360 1.00 0.42 H new ATOM 0 HB2 LEU A 58 17.862 2.818 -1.936 1.00 0.62 H new ATOM 0 HB3 LEU A 58 18.373 4.434 -2.382 1.00 0.62 H new ATOM 0 HG LEU A 58 15.731 4.077 -0.996 1.00 0.58 H new ATOM 0 HD11 LEU A 58 16.854 4.252 1.177 1.00 1.24 H new ATOM 0 HD12 LEU A 58 17.296 2.751 0.329 1.00 1.24 H new ATOM 0 HD13 LEU A 58 18.435 4.117 0.371 1.00 1.24 H new ATOM 0 HD21 LEU A 58 16.343 6.300 -0.106 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.904 6.205 -0.955 1.00 1.24 H new ATOM 0 HD23 LEU A 58 16.389 6.276 -1.885 1.00 1.24 H new ATOM 939 N GLN A 59 17.275 5.534 -4.932 1.00 0.37 N ATOM 940 CA GLN A 59 18.094 6.232 -5.904 1.00 0.48 C ATOM 941 C GLN A 59 18.965 7.248 -5.183 1.00 0.57 C ATOM 942 O GLN A 59 18.935 7.319 -3.953 1.00 0.58 O ATOM 943 CB GLN A 59 17.223 6.934 -6.950 1.00 0.53 C ATOM 944 CG GLN A 59 16.469 5.978 -7.863 1.00 1.13 C ATOM 945 CD GLN A 59 17.400 5.114 -8.690 1.00 1.75 C ATOM 946 OE1 GLN A 59 17.784 5.479 -9.800 1.00 2.50 O ATOM 947 NE2 GLN A 59 17.774 3.964 -8.154 1.00 2.33 N ATOM 0 H GLN A 59 16.551 6.113 -4.507 1.00 0.37 H new ATOM 0 HA GLN A 59 18.723 5.508 -6.422 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.505 7.576 -6.440 1.00 0.53 H new ATOM 0 HB3 GLN A 59 17.854 7.582 -7.559 1.00 0.53 H new ATOM 0 HG2 GLN A 59 15.823 5.339 -7.261 1.00 1.13 H new ATOM 0 HG3 GLN A 59 15.822 6.550 -8.528 1.00 1.13 H new ATOM 0 HE21 GLN A 59 17.433 3.697 -7.230 1.00 2.33 H new ATOM 0 HE22 GLN A 59 18.403 3.344 -8.664 1.00 2.33 H new ATOM 956 N GLU A 60 19.713 8.039 -5.936 1.00 0.69 N ATOM 957 CA GLU A 60 20.650 8.999 -5.351 1.00 0.82 C ATOM 958 C GLU A 60 19.959 9.944 -4.366 1.00 0.75 C ATOM 959 O GLU A 60 20.533 10.316 -3.342 1.00 0.89 O ATOM 960 CB GLU A 60 21.336 9.807 -6.460 1.00 1.05 C ATOM 961 CG GLU A 60 20.376 10.671 -7.266 1.00 1.11 C ATOM 962 CD GLU A 60 21.029 11.308 -8.474 1.00 1.47 C ATOM 963 OE1 GLU A 60 21.807 12.268 -8.296 1.00 1.79 O ATOM 964 OE2 GLU A 60 20.747 10.865 -9.608 1.00 1.73 O ATOM 0 H GLU A 60 19.693 8.039 -6.956 1.00 0.69 H new ATOM 0 HA GLU A 60 21.398 8.433 -4.796 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.099 10.445 -6.014 1.00 1.05 H new ATOM 0 HB3 GLU A 60 21.848 9.121 -7.135 1.00 1.05 H new ATOM 0 HG2 GLU A 60 19.534 10.061 -7.594 1.00 1.11 H new ATOM 0 HG3 GLU A 60 19.972 11.453 -6.623 1.00 1.11 H new ATOM 971 N ASP A 61 18.710 10.284 -4.649 1.00 0.64 N ATOM 972 CA ASP A 61 18.018 11.312 -3.882 1.00 0.70 C ATOM 973 C ASP A 61 16.751 10.742 -3.260 1.00 0.54 C ATOM 974 O ASP A 61 15.675 11.335 -3.342 1.00 0.50 O ATOM 975 CB ASP A 61 17.702 12.515 -4.776 1.00 0.92 C ATOM 976 CG ASP A 61 17.182 13.710 -3.999 1.00 1.18 C ATOM 977 OD1 ASP A 61 17.703 13.989 -2.897 1.00 1.41 O ATOM 978 OD2 ASP A 61 16.245 14.375 -4.484 1.00 1.26 O ATOM 0 H ASP A 61 18.157 9.867 -5.398 1.00 0.64 H new ATOM 0 HA ASP A 61 18.667 11.651 -3.075 1.00 0.70 H new ATOM 0 HB2 ASP A 61 18.602 12.805 -5.318 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.962 12.223 -5.521 1.00 0.92 H new ATOM 983 N ASN A 62 16.901 9.550 -2.673 1.00 0.52 N ATOM 984 CA ASN A 62 15.831 8.846 -1.935 1.00 0.46 C ATOM 985 C ASN A 62 14.500 8.763 -2.688 1.00 0.36 C ATOM 986 O ASN A 62 13.462 8.510 -2.086 1.00 0.41 O ATOM 987 CB ASN A 62 15.611 9.400 -0.505 1.00 0.57 C ATOM 988 CG ASN A 62 15.653 10.917 -0.393 1.00 0.70 C ATOM 989 OD1 ASN A 62 14.517 11.567 -0.589 1.00 1.36 O flip ATOM 990 ND2 ASN A 62 16.705 11.499 -0.124 1.00 1.35 N flip ATOM 0 H ASN A 62 17.781 9.034 -2.694 1.00 0.52 H new ATOM 0 HA ASN A 62 16.207 7.827 -1.846 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.646 9.050 -0.140 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.372 8.980 0.153 1.00 0.57 H new ATOM 0 HD21 ASN A 62 17.561 10.964 0.020 1.00 1.35 H new ATOM 0 HD22 ASN A 62 16.720 12.516 -0.046 1.00 1.35 H new ATOM 997 N SER A 63 14.526 8.976 -3.994 1.00 0.34 N ATOM 998 CA SER A 63 13.401 8.615 -4.833 1.00 0.30 C ATOM 999 C SER A 63 13.479 7.117 -5.044 1.00 0.29 C ATOM 1000 O SER A 63 14.490 6.613 -5.522 1.00 0.31 O ATOM 1001 CB SER A 63 13.470 9.342 -6.177 1.00 0.35 C ATOM 1002 OG SER A 63 13.759 10.718 -5.985 1.00 0.96 O ATOM 0 H SER A 63 15.311 9.395 -4.492 1.00 0.34 H new ATOM 0 HA SER A 63 12.461 8.900 -4.360 1.00 0.30 H new ATOM 0 HB2 SER A 63 14.237 8.887 -6.804 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.522 9.234 -6.704 1.00 0.35 H new ATOM 0 HG SER A 63 13.801 11.168 -6.855 1.00 0.96 H new ATOM 1008 N TYR A 64 12.454 6.394 -4.656 1.00 0.28 N ATOM 1009 CA TYR A 64 12.501 4.956 -4.771 1.00 0.28 C ATOM 1010 C TYR A 64 11.963 4.546 -6.127 1.00 0.29 C ATOM 1011 O TYR A 64 10.902 5.011 -6.541 1.00 0.30 O ATOM 1012 CB TYR A 64 11.643 4.285 -3.683 1.00 0.28 C ATOM 1013 CG TYR A 64 11.978 4.657 -2.244 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.245 5.095 -1.865 1.00 0.31 C ATOM 1015 CD2 TYR A 64 11.008 4.543 -1.254 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.528 5.412 -0.540 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.283 4.859 0.062 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.540 5.291 0.414 1.00 0.42 C ATOM 1019 OH TYR A 64 12.815 5.601 1.726 1.00 0.49 O ATOM 0 H TYR A 64 11.591 6.771 -4.264 1.00 0.28 H new ATOM 0 HA TYR A 64 13.537 4.638 -4.652 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.598 4.534 -3.868 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.737 3.204 -3.789 1.00 0.28 H new ATOM 0 HD1 TYR A 64 14.020 5.190 -2.611 1.00 0.31 H new ATOM 0 HD2 TYR A 64 10.019 4.200 -1.520 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.515 5.751 -0.261 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.512 4.767 0.813 1.00 0.45 H new ATOM 0 HH TYR A 64 12.012 5.463 2.270 1.00 0.49 H new ATOM 1029 N ASN A 65 12.678 3.676 -6.816 1.00 0.32 N ATOM 1030 CA ASN A 65 12.121 3.046 -7.990 1.00 0.36 C ATOM 1031 C ASN A 65 11.417 1.792 -7.530 1.00 0.32 C ATOM 1032 O ASN A 65 12.035 0.772 -7.238 1.00 0.37 O ATOM 1033 CB ASN A 65 13.178 2.750 -9.075 1.00 0.48 C ATOM 1034 CG ASN A 65 14.345 1.896 -8.604 1.00 1.24 C ATOM 1035 OD1 ASN A 65 15.320 2.404 -8.051 1.00 2.02 O ATOM 1036 ND2 ASN A 65 14.273 0.596 -8.853 1.00 1.96 N ATOM 0 H ASN A 65 13.631 3.395 -6.585 1.00 0.32 H new ATOM 0 HA ASN A 65 11.419 3.727 -8.472 1.00 0.36 H new ATOM 0 HB2 ASN A 65 12.691 2.248 -9.911 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.566 3.696 -9.454 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.042 -0.018 -8.584 1.00 1.96 H new ATOM 0 HD22 ASN A 65 13.449 0.210 -9.313 1.00 1.96 H new ATOM 1043 N VAL A 66 10.116 1.892 -7.417 1.00 0.31 N ATOM 1044 CA VAL A 66 9.343 0.823 -6.853 1.00 0.29 C ATOM 1045 C VAL A 66 8.800 -0.079 -7.928 1.00 0.31 C ATOM 1046 O VAL A 66 8.114 0.356 -8.853 1.00 0.37 O ATOM 1047 CB VAL A 66 8.216 1.339 -5.954 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.180 0.251 -5.719 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.796 1.818 -4.632 1.00 0.65 C ATOM 0 H VAL A 66 9.573 2.705 -7.709 1.00 0.31 H new ATOM 0 HA VAL A 66 10.017 0.240 -6.225 1.00 0.29 H new ATOM 0 HB VAL A 66 7.722 2.175 -6.449 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.387 0.636 -5.078 1.00 0.67 H new ATOM 0 HG12 VAL A 66 6.756 -0.060 -6.674 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.653 -0.604 -5.236 1.00 0.67 H new ATOM 0 HG21 VAL A 66 7.992 2.185 -3.994 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.304 0.991 -4.136 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.508 2.622 -4.817 1.00 0.65 H new ATOM 1059 N THR A 67 9.099 -1.342 -7.775 1.00 0.34 N ATOM 1060 CA THR A 67 8.750 -2.326 -8.762 1.00 0.39 C ATOM 1061 C THR A 67 7.472 -3.025 -8.339 1.00 0.47 C ATOM 1062 O THR A 67 7.499 -3.902 -7.481 1.00 0.71 O ATOM 1063 CB THR A 67 9.872 -3.366 -8.929 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.134 -2.696 -9.059 1.00 0.58 O ATOM 1065 CG2 THR A 67 9.632 -4.236 -10.158 1.00 0.74 C ATOM 0 H THR A 67 9.591 -1.716 -6.963 1.00 0.34 H new ATOM 0 HA THR A 67 8.606 -1.822 -9.718 1.00 0.39 H new ATOM 0 HB THR A 67 9.880 -4.006 -8.047 1.00 0.48 H new ATOM 0 HG1 THR A 67 11.847 -3.360 -9.164 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.439 -4.962 -10.253 1.00 0.74 H new ATOM 0 HG22 THR A 67 8.682 -4.761 -10.053 1.00 0.74 H new ATOM 0 HG23 THR A 67 9.603 -3.608 -11.048 1.00 0.74 H new ATOM 1073 N SER A 68 6.354 -2.589 -8.890 1.00 0.44 N ATOM 1074 CA SER A 68 5.089 -3.247 -8.637 1.00 0.52 C ATOM 1075 C SER A 68 4.916 -4.371 -9.643 1.00 0.53 C ATOM 1076 O SER A 68 5.354 -4.253 -10.778 1.00 0.65 O ATOM 1077 CB SER A 68 3.941 -2.241 -8.744 1.00 0.60 C ATOM 1078 OG SER A 68 4.191 -1.106 -7.931 1.00 1.14 O ATOM 0 H SER A 68 6.298 -1.784 -9.514 1.00 0.44 H new ATOM 0 HA SER A 68 5.079 -3.660 -7.628 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.818 -1.931 -9.782 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.007 -2.714 -8.440 1.00 0.60 H new ATOM 0 HG SER A 68 3.447 -0.474 -8.014 1.00 1.14 H new ATOM 1084 N ILE A 69 4.314 -5.465 -9.235 1.00 0.53 N ATOM 1085 CA ILE A 69 4.126 -6.587 -10.142 1.00 0.53 C ATOM 1086 C ILE A 69 2.664 -6.937 -10.280 1.00 0.60 C ATOM 1087 O ILE A 69 1.951 -7.121 -9.298 1.00 0.74 O ATOM 1088 CB ILE A 69 4.949 -7.821 -9.712 1.00 0.54 C ATOM 1089 CG1 ILE A 69 4.331 -9.114 -10.250 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.112 -7.881 -8.208 1.00 0.57 C ATOM 1091 CD1 ILE A 69 5.071 -9.681 -11.433 1.00 0.78 C ATOM 0 H ILE A 69 3.948 -5.607 -8.294 1.00 0.53 H new ATOM 0 HA ILE A 69 4.495 -6.274 -11.119 1.00 0.53 H new ATOM 0 HB ILE A 69 5.943 -7.719 -10.148 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.310 -9.857 -9.453 1.00 0.66 H new ATOM 0 HG13 ILE A 69 3.296 -8.923 -10.535 1.00 0.66 H new ATOM 0 HG21 ILE A 69 5.696 -8.762 -7.940 1.00 0.57 H new ATOM 0 HG22 ILE A 69 5.627 -6.985 -7.862 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.130 -7.940 -7.738 1.00 0.57 H new ATOM 0 HD11 ILE A 69 4.581 -10.596 -11.764 1.00 0.78 H new ATOM 0 HD12 ILE A 69 5.070 -8.954 -12.245 1.00 0.78 H new ATOM 0 HD13 ILE A 69 6.099 -9.903 -11.147 1.00 0.78 H new ATOM 1103 N LEU A 70 2.229 -6.999 -11.521 1.00 0.56 N ATOM 1104 CA LEU A 70 0.837 -7.174 -11.837 1.00 0.64 C ATOM 1105 C LEU A 70 0.686 -8.245 -12.888 1.00 0.64 C ATOM 1106 O LEU A 70 1.594 -8.489 -13.685 1.00 0.67 O ATOM 1107 CB LEU A 70 0.237 -5.863 -12.383 1.00 0.74 C ATOM 1108 CG LEU A 70 0.496 -4.568 -11.588 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.956 -4.124 -11.645 1.00 0.96 C ATOM 1110 CD2 LEU A 70 -0.388 -3.455 -12.105 1.00 1.18 C ATOM 0 H LEU A 70 2.837 -6.929 -12.337 1.00 0.56 H new ATOM 0 HA LEU A 70 0.312 -7.461 -10.926 1.00 0.64 H new ATOM 0 HB2 LEU A 70 0.616 -5.717 -13.394 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.842 -5.996 -12.464 1.00 0.74 H new ATOM 0 HG LEU A 70 0.259 -4.785 -10.546 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.080 -3.208 -11.068 1.00 0.96 H new ATOM 0 HD12 LEU A 70 2.590 -4.905 -11.226 1.00 0.96 H new ATOM 0 HD13 LEU A 70 2.241 -3.942 -12.681 1.00 0.96 H new ATOM 0 HD21 LEU A 70 -0.197 -2.545 -11.536 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.171 -3.277 -13.158 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -1.434 -3.740 -11.993 1.00 1.18 H new ATOM 1122 N VAL A 71 -0.456 -8.889 -12.884 1.00 0.70 N ATOM 1123 CA VAL A 71 -0.782 -9.817 -13.932 1.00 0.74 C ATOM 1124 C VAL A 71 -1.509 -9.056 -15.028 1.00 0.83 C ATOM 1125 O VAL A 71 -2.694 -8.737 -14.914 1.00 0.99 O ATOM 1126 CB VAL A 71 -1.628 -10.983 -13.401 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -1.801 -12.052 -14.466 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.982 -11.553 -12.144 1.00 0.84 C ATOM 0 H VAL A 71 -1.173 -8.786 -12.166 1.00 0.70 H new ATOM 0 HA VAL A 71 0.131 -10.257 -14.334 1.00 0.74 H new ATOM 0 HB VAL A 71 -2.622 -10.616 -13.145 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -2.404 -12.868 -14.068 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -2.300 -11.623 -15.335 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -0.823 -12.433 -14.761 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.584 -12.380 -11.769 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.020 -11.911 -12.380 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.919 -10.776 -11.383 1.00 0.84 H new ATOM 1186 N GLY A 75 -0.499 -12.538 -18.915 1.00 0.97 N ATOM 1187 CA GLY A 75 0.734 -12.998 -18.324 1.00 0.88 C ATOM 1188 C GLY A 75 1.116 -12.149 -17.136 1.00 0.81 C ATOM 1189 O GLY A 75 0.266 -11.499 -16.537 1.00 0.81 O ATOM 0 HA2 GLY A 75 0.627 -14.037 -18.013 1.00 0.88 H new ATOM 0 HA3 GLY A 75 1.531 -12.969 -19.067 1.00 0.88 H new ATOM 1193 N CYS A 76 2.388 -12.119 -16.810 1.00 0.79 N ATOM 1194 CA CYS A 76 2.855 -11.357 -15.665 1.00 0.73 C ATOM 1195 C CYS A 76 3.729 -10.209 -16.148 1.00 0.75 C ATOM 1196 O CYS A 76 4.466 -10.360 -17.123 1.00 0.92 O ATOM 1197 CB CYS A 76 3.667 -12.257 -14.738 1.00 0.78 C ATOM 1198 SG CYS A 76 5.072 -13.086 -15.558 1.00 1.26 S ATOM 0 H CYS A 76 3.121 -12.612 -17.319 1.00 0.79 H new ATOM 0 HA CYS A 76 1.997 -10.964 -15.120 1.00 0.73 H new ATOM 0 HB2 CYS A 76 4.044 -11.661 -13.907 1.00 0.78 H new ATOM 0 HB3 CYS A 76 3.008 -13.014 -14.314 1.00 0.78 H new ATOM 1203 N ARG A 77 3.653 -9.064 -15.492 1.00 0.65 N ATOM 1204 CA ARG A 77 4.468 -7.937 -15.896 1.00 0.67 C ATOM 1205 C ARG A 77 4.656 -6.960 -14.747 1.00 0.57 C ATOM 1206 O ARG A 77 3.713 -6.647 -14.016 1.00 0.56 O ATOM 1207 CB ARG A 77 3.835 -7.234 -17.092 1.00 0.79 C ATOM 1208 CG ARG A 77 4.780 -6.300 -17.819 1.00 1.22 C ATOM 1209 CD ARG A 77 4.109 -5.685 -19.029 1.00 1.46 C ATOM 1210 NE ARG A 77 5.006 -4.809 -19.775 1.00 2.14 N ATOM 1211 CZ ARG A 77 4.682 -4.233 -20.929 1.00 2.81 C ATOM 1212 NH1 ARG A 77 3.485 -4.447 -21.463 1.00 3.04 N ATOM 1213 NH2 ARG A 77 5.551 -3.448 -21.553 1.00 3.68 N ATOM 0 H ARG A 77 3.045 -8.893 -14.691 1.00 0.65 H new ATOM 0 HA ARG A 77 5.450 -8.312 -16.184 1.00 0.67 H new ATOM 0 HB2 ARG A 77 3.470 -7.985 -17.793 1.00 0.79 H new ATOM 0 HB3 ARG A 77 2.968 -6.667 -16.752 1.00 0.79 H new ATOM 0 HG2 ARG A 77 5.111 -5.512 -17.142 1.00 1.22 H new ATOM 0 HG3 ARG A 77 5.670 -6.847 -18.131 1.00 1.22 H new ATOM 0 HD2 ARG A 77 3.751 -6.478 -19.685 1.00 1.46 H new ATOM 0 HD3 ARG A 77 3.235 -5.118 -18.708 1.00 1.46 H new ATOM 0 HE ARG A 77 5.933 -4.628 -19.390 1.00 2.14 H new ATOM 0 HH11 ARG A 77 2.816 -5.052 -20.988 1.00 3.04 H new ATOM 0 HH12 ARG A 77 3.235 -4.006 -22.348 1.00 3.04 H new ATOM 0 HH21 ARG A 77 6.473 -3.284 -21.148 1.00 3.68 H new ATOM 0 HH22 ARG A 77 5.297 -3.009 -22.438 1.00 3.68 H new ATOM 1227 N TYR A 78 5.875 -6.481 -14.596 1.00 0.56 N ATOM 1228 CA TYR A 78 6.198 -5.536 -13.544 1.00 0.48 C ATOM 1229 C TYR A 78 5.956 -4.116 -14.032 1.00 0.47 C ATOM 1230 O TYR A 78 6.337 -3.751 -15.144 1.00 0.53 O ATOM 1231 CB TYR A 78 7.656 -5.697 -13.081 1.00 0.47 C ATOM 1232 CG TYR A 78 7.982 -7.078 -12.543 1.00 0.53 C ATOM 1233 CD1 TYR A 78 7.761 -7.411 -11.206 1.00 0.47 C ATOM 1234 CD2 TYR A 78 8.501 -8.057 -13.382 1.00 0.70 C ATOM 1235 CE1 TYR A 78 8.054 -8.677 -10.734 1.00 0.54 C ATOM 1236 CE2 TYR A 78 8.793 -9.322 -12.911 1.00 0.79 C ATOM 1237 CZ TYR A 78 8.568 -9.625 -11.588 1.00 0.70 C ATOM 1238 OH TYR A 78 8.854 -10.883 -11.117 1.00 0.80 O ATOM 0 H TYR A 78 6.663 -6.732 -15.193 1.00 0.56 H new ATOM 0 HA TYR A 78 5.550 -5.739 -12.691 1.00 0.48 H new ATOM 0 HB2 TYR A 78 8.319 -5.478 -13.918 1.00 0.47 H new ATOM 0 HB3 TYR A 78 7.865 -4.958 -12.308 1.00 0.47 H new ATOM 0 HD1 TYR A 78 7.356 -6.671 -10.532 1.00 0.47 H new ATOM 0 HD2 TYR A 78 8.679 -7.824 -14.421 1.00 0.70 H new ATOM 0 HE1 TYR A 78 7.880 -8.921 -9.697 1.00 0.54 H new ATOM 0 HE2 TYR A 78 9.196 -10.070 -13.578 1.00 0.79 H new ATOM 0 HH TYR A 78 9.209 -11.433 -11.847 1.00 0.80 H new ATOM 1248 N TRP A 79 5.290 -3.338 -13.205 1.00 0.47 N ATOM 1249 CA TRP A 79 5.075 -1.932 -13.469 1.00 0.51 C ATOM 1250 C TRP A 79 5.838 -1.121 -12.430 1.00 0.46 C ATOM 1251 O TRP A 79 5.450 -1.053 -11.263 1.00 0.45 O ATOM 1252 CB TRP A 79 3.575 -1.606 -13.443 1.00 0.61 C ATOM 1253 CG TRP A 79 3.275 -0.137 -13.530 1.00 0.72 C ATOM 1254 CD1 TRP A 79 2.846 0.677 -12.519 1.00 1.33 C ATOM 1255 CD2 TRP A 79 3.387 0.694 -14.693 1.00 1.44 C ATOM 1256 NE1 TRP A 79 2.680 1.961 -12.985 1.00 1.23 N ATOM 1257 CE2 TRP A 79 3.007 1.996 -14.314 1.00 1.32 C ATOM 1258 CE3 TRP A 79 3.772 0.462 -16.016 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 3.001 3.060 -15.213 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 3.766 1.519 -16.906 1.00 3.53 C ATOM 1261 CH2 TRP A 79 3.384 2.804 -16.501 1.00 3.20 C ATOM 0 H TRP A 79 4.882 -3.664 -12.329 1.00 0.47 H new ATOM 0 HA TRP A 79 5.444 -1.676 -14.462 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.087 -2.117 -14.273 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.142 -2.003 -12.525 1.00 0.61 H new ATOM 0 HD1 TRP A 79 2.664 0.359 -11.503 1.00 1.33 H new ATOM 0 HE1 TRP A 79 2.365 2.757 -12.431 1.00 1.23 H new ATOM 0 HE3 TRP A 79 4.069 -0.525 -16.337 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 2.705 4.052 -14.904 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 4.061 1.351 -17.931 1.00 3.53 H new ATOM 0 HH2 TRP A 79 3.392 3.609 -17.220 1.00 3.20 H new ATOM 1272 N ILE A 80 6.938 -0.529 -12.858 1.00 0.46 N ATOM 1273 CA ILE A 80 7.831 0.164 -11.948 1.00 0.42 C ATOM 1274 C ILE A 80 7.548 1.663 -11.967 1.00 0.42 C ATOM 1275 O ILE A 80 7.358 2.257 -13.028 1.00 0.49 O ATOM 1276 CB ILE A 80 9.324 -0.101 -12.289 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.642 -1.607 -12.277 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.239 0.624 -11.310 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.216 -2.352 -13.528 1.00 0.55 C ATOM 0 H ILE A 80 7.235 -0.514 -13.834 1.00 0.46 H new ATOM 0 HA ILE A 80 7.645 -0.226 -10.947 1.00 0.42 H new ATOM 0 HB ILE A 80 9.501 0.283 -13.294 1.00 0.43 H new ATOM 0 HG12 ILE A 80 10.715 -1.737 -12.140 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.153 -2.061 -11.415 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.279 0.424 -11.568 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.052 1.696 -11.363 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.042 0.271 -10.298 1.00 0.40 H new ATOM 0 HD11 ILE A 80 9.479 -3.405 -13.432 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.138 -2.258 -13.658 1.00 0.55 H new ATOM 0 HD13 ILE A 80 9.724 -1.929 -14.394 1.00 0.55 H new ATOM 1291 N ARG A 81 7.504 2.260 -10.786 1.00 0.41 N ATOM 1292 CA ARG A 81 7.198 3.675 -10.639 1.00 0.44 C ATOM 1293 C ARG A 81 8.114 4.286 -9.582 1.00 0.35 C ATOM 1294 O ARG A 81 9.016 3.615 -9.091 1.00 0.42 O ATOM 1295 CB ARG A 81 5.723 3.843 -10.260 1.00 0.57 C ATOM 1296 CG ARG A 81 5.358 3.246 -8.909 1.00 1.21 C ATOM 1297 CD ARG A 81 3.978 2.607 -8.936 1.00 1.97 C ATOM 1298 NE ARG A 81 2.962 3.486 -9.513 1.00 2.78 N ATOM 1299 CZ ARG A 81 1.715 3.098 -9.780 1.00 3.79 C ATOM 1300 NH1 ARG A 81 1.320 1.863 -9.476 1.00 4.16 N ATOM 1301 NH2 ARG A 81 0.868 3.941 -10.353 1.00 4.76 N ATOM 0 H ARG A 81 7.679 1.779 -9.904 1.00 0.41 H new ATOM 0 HA ARG A 81 7.369 4.195 -11.582 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.479 4.905 -10.254 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.106 3.379 -11.029 1.00 0.57 H new ATOM 0 HG2 ARG A 81 6.100 2.499 -8.628 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.385 4.025 -8.147 1.00 1.21 H new ATOM 0 HD2 ARG A 81 4.021 1.682 -9.511 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.686 2.338 -7.921 1.00 1.97 H new ATOM 0 HE ARG A 81 3.222 4.450 -9.723 1.00 2.78 H new ATOM 0 HH11 ARG A 81 1.972 1.212 -9.038 1.00 4.16 H new ATOM 0 HH12 ARG A 81 0.365 1.568 -9.681 1.00 4.16 H new ATOM 0 HH21 ARG A 81 1.170 4.886 -10.589 1.00 4.76 H new ATOM 0 HH22 ARG A 81 -0.086 3.645 -10.558 1.00 4.76 H new ATOM 1315 N THR A 82 7.893 5.542 -9.226 1.00 0.41 N ATOM 1316 CA THR A 82 8.775 6.217 -8.284 1.00 0.35 C ATOM 1317 C THR A 82 8.023 6.609 -7.017 1.00 0.32 C ATOM 1318 O THR A 82 6.936 7.171 -7.084 1.00 0.36 O ATOM 1319 CB THR A 82 9.407 7.476 -8.924 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.960 7.145 -10.204 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.501 8.073 -8.036 1.00 0.36 C ATOM 0 H THR A 82 7.119 6.110 -9.570 1.00 0.41 H new ATOM 0 HA THR A 82 9.569 5.519 -8.020 1.00 0.35 H new ATOM 0 HB THR A 82 8.619 8.221 -9.039 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.357 7.946 -10.606 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.921 8.955 -8.519 1.00 0.36 H new ATOM 0 HG22 THR A 82 10.075 8.355 -7.073 1.00 0.36 H new ATOM 0 HG23 THR A 82 11.288 7.335 -7.882 1.00 0.36 H new ATOM 1329 N PHE A 83 8.602 6.290 -5.869 1.00 0.27 N ATOM 1330 CA PHE A 83 8.069 6.726 -4.586 1.00 0.26 C ATOM 1331 C PHE A 83 9.068 7.637 -3.908 1.00 0.26 C ATOM 1332 O PHE A 83 10.196 7.247 -3.629 1.00 0.36 O ATOM 1333 CB PHE A 83 7.748 5.544 -3.663 1.00 0.26 C ATOM 1334 CG PHE A 83 6.402 4.914 -3.889 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.242 5.671 -3.865 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.303 3.555 -4.101 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.008 5.073 -4.055 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.080 2.949 -4.288 1.00 0.38 C ATOM 1339 CZ PHE A 83 3.927 3.709 -4.266 1.00 0.42 C ATOM 0 H PHE A 83 9.449 5.726 -5.800 1.00 0.27 H new ATOM 0 HA PHE A 83 7.138 7.259 -4.779 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.516 4.782 -3.792 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.806 5.883 -2.629 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.301 6.736 -3.697 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.201 2.955 -4.121 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.109 5.672 -4.038 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.023 1.883 -4.451 1.00 0.38 H new ATOM 0 HZ PHE A 83 2.966 3.240 -4.413 1.00 0.42 H new ATOM 1349 N VAL A 84 8.651 8.848 -3.658 1.00 0.24 N ATOM 1350 CA VAL A 84 9.508 9.845 -3.063 1.00 0.24 C ATOM 1351 C VAL A 84 8.961 10.260 -1.705 1.00 0.24 C ATOM 1352 O VAL A 84 7.751 10.433 -1.543 1.00 0.27 O ATOM 1353 CB VAL A 84 9.633 11.083 -3.979 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.508 10.786 -5.192 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.258 11.541 -4.431 1.00 0.29 C ATOM 0 H VAL A 84 7.706 9.175 -3.860 1.00 0.24 H new ATOM 0 HA VAL A 84 10.499 9.410 -2.935 1.00 0.24 H new ATOM 0 HB VAL A 84 10.107 11.879 -3.405 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.577 11.676 -5.818 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.505 10.498 -4.859 1.00 0.30 H new ATOM 0 HG13 VAL A 84 10.068 9.971 -5.767 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.359 12.414 -5.076 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.770 10.737 -4.982 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.657 11.801 -3.560 1.00 0.29 H new ATOM 1365 N PRO A 85 9.836 10.371 -0.696 1.00 0.35 N ATOM 1366 CA PRO A 85 9.457 10.888 0.615 1.00 0.34 C ATOM 1367 C PRO A 85 8.869 12.284 0.488 1.00 0.38 C ATOM 1368 O PRO A 85 9.490 13.184 -0.084 1.00 0.52 O ATOM 1369 CB PRO A 85 10.776 10.921 1.393 1.00 0.49 C ATOM 1370 CG PRO A 85 11.647 9.932 0.702 1.00 0.78 C ATOM 1371 CD PRO A 85 11.253 9.988 -0.747 1.00 0.56 C ATOM 0 HA PRO A 85 8.696 10.281 1.106 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.219 11.917 1.379 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.626 10.654 2.439 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.701 10.180 0.831 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.503 8.931 1.109 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.847 10.717 -1.298 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.392 9.026 -1.239 1.00 0.56 H new ATOM 1379 N SER A 86 7.658 12.433 0.996 1.00 0.34 N ATOM 1380 CA SER A 86 6.912 13.680 0.908 1.00 0.46 C ATOM 1381 C SER A 86 7.492 14.727 1.864 1.00 0.58 C ATOM 1382 O SER A 86 8.707 14.823 2.027 1.00 0.93 O ATOM 1383 CB SER A 86 5.448 13.393 1.243 1.00 0.53 C ATOM 1384 OG SER A 86 4.594 14.471 0.886 1.00 1.27 O ATOM 0 H SER A 86 7.160 11.689 1.484 1.00 0.34 H new ATOM 0 HA SER A 86 6.986 14.083 -0.102 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.128 12.491 0.722 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.353 13.195 2.311 1.00 0.53 H new ATOM 0 HG SER A 86 3.659 14.186 0.960 1.00 1.27 H new ATOM 1390 N SER A 87 6.621 15.500 2.503 1.00 0.75 N ATOM 1391 CA SER A 87 7.042 16.544 3.432 1.00 0.90 C ATOM 1392 C SER A 87 7.898 15.974 4.566 1.00 0.79 C ATOM 1393 O SER A 87 8.636 16.700 5.228 1.00 0.89 O ATOM 1394 CB SER A 87 5.812 17.251 3.994 1.00 1.12 C ATOM 1395 OG SER A 87 4.941 17.634 2.943 1.00 1.70 O ATOM 0 H SER A 87 5.610 15.422 2.393 1.00 0.75 H new ATOM 0 HA SER A 87 7.657 17.261 2.889 1.00 0.90 H new ATOM 0 HB2 SER A 87 5.289 16.591 4.686 1.00 1.12 H new ATOM 0 HB3 SER A 87 6.117 18.130 4.561 1.00 1.12 H new ATOM 0 HG SER A 87 4.155 18.085 3.317 1.00 1.70 H new ATOM 1401 N ARG A 88 7.800 14.670 4.773 1.00 0.64 N ATOM 1402 CA ARG A 88 8.615 13.988 5.767 1.00 0.58 C ATOM 1403 C ARG A 88 8.773 12.521 5.393 1.00 0.49 C ATOM 1404 O ARG A 88 7.844 11.908 4.861 1.00 0.46 O ATOM 1405 CB ARG A 88 8.002 14.107 7.170 1.00 0.66 C ATOM 1406 CG ARG A 88 6.583 13.574 7.280 1.00 0.75 C ATOM 1407 CD ARG A 88 5.569 14.703 7.347 1.00 1.11 C ATOM 1408 NE ARG A 88 5.739 15.524 8.545 1.00 1.51 N ATOM 1409 CZ ARG A 88 4.773 16.266 9.083 1.00 1.84 C ATOM 1410 NH1 ARG A 88 3.556 16.274 8.548 1.00 1.95 N ATOM 1411 NH2 ARG A 88 5.020 16.984 10.170 1.00 2.59 N ATOM 0 H ARG A 88 7.161 14.060 4.263 1.00 0.64 H new ATOM 0 HA ARG A 88 9.594 14.466 5.784 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.635 13.571 7.877 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.008 15.155 7.469 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.365 12.938 6.422 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.495 12.951 8.170 1.00 0.75 H new ATOM 0 HD2 ARG A 88 5.667 15.330 6.461 1.00 1.11 H new ATOM 0 HD3 ARG A 88 4.562 14.287 7.333 1.00 1.11 H new ATOM 0 HE ARG A 88 6.654 15.529 8.996 1.00 1.51 H new ATOM 0 HH11 ARG A 88 3.359 15.710 7.721 1.00 1.95 H new ATOM 0 HH12 ARG A 88 2.820 16.844 8.964 1.00 1.95 H new ATOM 0 HH21 ARG A 88 5.948 16.967 10.592 1.00 2.59 H new ATOM 0 HH22 ARG A 88 4.282 17.553 10.584 1.00 2.59 H new ATOM 1425 N PRO A 89 9.967 11.955 5.637 1.00 0.49 N ATOM 1426 CA PRO A 89 10.238 10.534 5.406 1.00 0.48 C ATOM 1427 C PRO A 89 9.259 9.653 6.172 1.00 0.48 C ATOM 1428 O PRO A 89 9.206 9.687 7.400 1.00 0.62 O ATOM 1429 CB PRO A 89 11.666 10.348 5.928 1.00 0.58 C ATOM 1430 CG PRO A 89 12.272 11.704 5.864 1.00 0.70 C ATOM 1431 CD PRO A 89 11.153 12.661 6.154 1.00 0.56 C ATOM 0 HA PRO A 89 10.128 10.251 4.359 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.668 9.961 6.947 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.221 9.637 5.316 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.076 11.809 6.593 1.00 0.70 H new ATOM 0 HG3 PRO A 89 12.705 11.894 4.882 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.066 12.868 7.221 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.302 13.618 5.655 1.00 0.56 H new ATOM 1439 N GLY A 90 8.486 8.877 5.434 1.00 0.41 N ATOM 1440 CA GLY A 90 7.410 8.108 6.020 1.00 0.42 C ATOM 1441 C GLY A 90 6.129 8.356 5.267 1.00 0.38 C ATOM 1442 O GLY A 90 5.359 7.435 5.000 1.00 0.43 O ATOM 0 H GLY A 90 8.586 8.764 4.425 1.00 0.41 H new ATOM 0 HA2 GLY A 90 7.656 7.046 5.996 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.285 8.382 7.067 1.00 0.42 H new ATOM 1446 N GLN A 91 5.916 9.622 4.929 1.00 0.33 N ATOM 1447 CA GLN A 91 4.888 10.003 3.970 1.00 0.31 C ATOM 1448 C GLN A 91 5.421 9.756 2.578 1.00 0.26 C ATOM 1449 O GLN A 91 6.465 10.296 2.202 1.00 0.30 O ATOM 1450 CB GLN A 91 4.510 11.478 4.095 1.00 0.39 C ATOM 1451 CG GLN A 91 3.510 11.761 5.190 1.00 0.61 C ATOM 1452 CD GLN A 91 3.038 13.207 5.191 1.00 0.61 C ATOM 1453 OE1 GLN A 91 2.775 13.787 6.244 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.886 13.789 4.009 1.00 1.03 N ATOM 0 H GLN A 91 6.446 10.407 5.308 1.00 0.33 H new ATOM 0 HA GLN A 91 3.996 9.409 4.169 1.00 0.31 H new ATOM 0 HB2 GLN A 91 5.413 12.060 4.281 1.00 0.39 H new ATOM 0 HB3 GLN A 91 4.100 11.820 3.145 1.00 0.39 H new ATOM 0 HG2 GLN A 91 2.650 11.102 5.071 1.00 0.61 H new ATOM 0 HG3 GLN A 91 3.959 11.528 6.156 1.00 0.61 H new ATOM 0 HE21 GLN A 91 3.114 13.278 3.156 1.00 1.03 H new ATOM 0 HE22 GLN A 91 2.541 14.747 3.953 1.00 1.03 H new ATOM 1463 N PHE A 92 4.734 8.937 1.819 1.00 0.24 N ATOM 1464 CA PHE A 92 5.214 8.591 0.502 1.00 0.24 C ATOM 1465 C PHE A 92 4.298 9.109 -0.574 1.00 0.26 C ATOM 1466 O PHE A 92 3.090 8.905 -0.545 1.00 0.35 O ATOM 1467 CB PHE A 92 5.403 7.087 0.365 1.00 0.31 C ATOM 1468 CG PHE A 92 6.492 6.563 1.246 1.00 0.33 C ATOM 1469 CD1 PHE A 92 7.762 7.112 1.189 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.247 5.528 2.128 1.00 0.42 C ATOM 1471 CE1 PHE A 92 8.770 6.634 1.999 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.251 5.047 2.941 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.513 5.600 2.874 1.00 0.48 C ATOM 0 H PHE A 92 3.851 8.502 2.086 1.00 0.24 H new ATOM 0 HA PHE A 92 6.184 9.071 0.375 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.468 6.583 0.610 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.633 6.846 -0.673 1.00 0.31 H new ATOM 0 HD1 PHE A 92 7.965 7.922 0.504 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.260 5.092 2.181 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.758 7.068 1.948 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.050 4.239 3.629 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.301 5.222 3.508 1.00 0.48 H new ATOM 1483 N THR A 93 4.897 9.800 -1.504 1.00 0.23 N ATOM 1484 CA THR A 93 4.210 10.290 -2.664 1.00 0.27 C ATOM 1485 C THR A 93 4.942 9.783 -3.888 1.00 0.26 C ATOM 1486 O THR A 93 5.949 9.085 -3.770 1.00 0.25 O ATOM 1487 CB THR A 93 4.101 11.830 -2.661 1.00 0.35 C ATOM 1488 OG1 THR A 93 3.386 12.292 -3.809 1.00 1.29 O ATOM 1489 CG2 THR A 93 5.466 12.497 -2.583 1.00 0.92 C ATOM 0 H THR A 93 5.888 10.041 -1.476 1.00 0.23 H new ATOM 0 HA THR A 93 3.184 9.921 -2.666 1.00 0.27 H new ATOM 0 HB THR A 93 3.546 12.110 -1.766 1.00 0.35 H new ATOM 0 HG1 THR A 93 2.422 12.219 -3.646 1.00 1.29 H new ATOM 0 HG21 THR A 93 5.342 13.580 -2.583 1.00 0.92 H new ATOM 0 HG22 THR A 93 5.969 12.190 -1.666 1.00 0.92 H new ATOM 0 HG23 THR A 93 6.066 12.200 -3.443 1.00 0.92 H new ATOM 1497 N LEU A 94 4.452 10.117 -5.048 1.00 0.34 N ATOM 1498 CA LEU A 94 4.984 9.527 -6.270 1.00 0.37 C ATOM 1499 C LEU A 94 6.026 10.429 -6.883 1.00 0.34 C ATOM 1500 O LEU A 94 5.833 11.638 -7.004 1.00 0.39 O ATOM 1501 CB LEU A 94 3.887 9.279 -7.314 1.00 0.54 C ATOM 1502 CG LEU A 94 2.985 8.067 -7.086 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.774 6.773 -7.240 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.334 8.141 -5.723 1.00 0.75 C ATOM 0 H LEU A 94 3.694 10.785 -5.186 1.00 0.34 H new ATOM 0 HA LEU A 94 5.426 8.571 -5.988 1.00 0.37 H new ATOM 0 HB2 LEU A 94 3.257 10.167 -7.364 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.363 9.171 -8.289 1.00 0.54 H new ATOM 0 HG LEU A 94 2.199 8.075 -7.841 1.00 0.50 H new ATOM 0 HD11 LEU A 94 3.113 5.922 -7.074 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.190 6.718 -8.246 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.584 6.752 -6.511 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.695 7.270 -5.577 1.00 0.75 H new ATOM 0 HD22 LEU A 94 3.105 8.159 -4.952 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.733 9.048 -5.656 1.00 0.75 H new ATOM 1516 N GLY A 95 7.131 9.803 -7.273 1.00 0.32 N ATOM 1517 CA GLY A 95 8.224 10.487 -7.928 1.00 0.34 C ATOM 1518 C GLY A 95 7.759 11.220 -9.179 1.00 0.46 C ATOM 1519 O GLY A 95 8.452 12.097 -9.690 1.00 0.88 O ATOM 0 H GLY A 95 7.288 8.804 -7.140 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.676 11.198 -7.236 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.997 9.766 -8.194 1.00 0.34 H new ATOM 1523 N ASN A 96 6.578 10.836 -9.666 1.00 0.57 N ATOM 1524 CA ASN A 96 5.993 11.421 -10.864 1.00 0.71 C ATOM 1525 C ASN A 96 4.517 11.786 -10.652 1.00 0.61 C ATOM 1526 O ASN A 96 3.772 11.956 -11.616 1.00 0.66 O ATOM 1527 CB ASN A 96 6.118 10.445 -12.046 1.00 0.98 C ATOM 1528 CG ASN A 96 5.325 9.158 -11.849 1.00 1.89 C ATOM 1529 OD1 ASN A 96 5.135 8.682 -10.726 1.00 2.72 O ATOM 1530 ND2 ASN A 96 4.860 8.584 -12.947 1.00 2.42 N ATOM 0 H ASN A 96 6.003 10.110 -9.238 1.00 0.57 H new ATOM 0 HA ASN A 96 6.541 12.337 -11.085 1.00 0.71 H new ATOM 0 HB2 ASN A 96 5.775 10.940 -12.955 1.00 0.98 H new ATOM 0 HB3 ASN A 96 7.169 10.197 -12.195 1.00 0.98 H new ATOM 0 HD21 ASN A 96 4.324 7.718 -12.882 1.00 2.42 H new ATOM 0 HD22 ASN A 96 5.037 9.007 -13.858 1.00 2.42 H new ATOM 1537 N ILE A 97 4.094 11.922 -9.393 1.00 0.55 N ATOM 1538 CA ILE A 97 2.703 12.285 -9.092 1.00 0.57 C ATOM 1539 C ILE A 97 2.494 13.763 -9.349 1.00 0.74 C ATOM 1540 O ILE A 97 1.389 14.209 -9.607 1.00 0.88 O ATOM 1541 CB ILE A 97 2.313 12.019 -7.607 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.783 11.996 -7.465 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.916 13.092 -6.699 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.198 10.606 -7.531 1.00 1.20 C ATOM 0 H ILE A 97 4.685 11.789 -8.573 1.00 0.55 H new ATOM 0 HA ILE A 97 2.081 11.664 -9.736 1.00 0.57 H new ATOM 0 HB ILE A 97 2.710 11.050 -7.305 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.506 12.454 -6.516 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.343 12.606 -8.254 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.635 12.893 -5.665 1.00 0.60 H new ATOM 0 HG22 ILE A 97 4.002 13.077 -6.789 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.541 14.072 -6.995 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -0.885 10.662 -7.424 1.00 1.20 H new ATOM 0 HD12 ILE A 97 0.445 10.152 -8.491 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.611 9.999 -6.726 1.00 1.20 H new ATOM 1556 N HIS A 98 3.589 14.496 -9.322 1.00 0.85 N ATOM 1557 CA HIS A 98 3.564 15.940 -9.167 1.00 1.12 C ATOM 1558 C HIS A 98 3.104 16.654 -10.446 1.00 1.14 C ATOM 1559 O HIS A 98 3.100 17.879 -10.522 1.00 1.38 O ATOM 1560 CB HIS A 98 4.959 16.370 -8.729 1.00 1.38 C ATOM 1561 CG HIS A 98 5.015 17.639 -7.927 1.00 2.01 C ATOM 1562 ND1 HIS A 98 4.276 18.769 -7.988 1.00 2.88 N flip ATOM 1563 CD2 HIS A 98 5.933 17.845 -6.920 1.00 2.69 C flip ATOM 1564 CE1 HIS A 98 4.755 19.622 -7.029 1.00 3.63 C flip ATOM 1565 NE2 HIS A 98 5.753 19.040 -6.398 1.00 3.56 N flip ATOM 0 H HIS A 98 4.528 14.106 -9.407 1.00 0.85 H new ATOM 0 HA HIS A 98 2.832 16.226 -8.412 1.00 1.12 H new ATOM 0 HB2 HIS A 98 5.401 15.567 -8.139 1.00 1.38 H new ATOM 0 HB3 HIS A 98 5.579 16.492 -9.617 1.00 1.38 H new ATOM 0 HD1 HIS A 98 3.504 18.953 -8.629 1.00 2.88 H new ATOM 0 HD2 HIS A 98 6.685 17.135 -6.607 1.00 2.69 H new ATOM 0 HE1 HIS A 98 4.375 20.612 -6.824 1.00 3.63 H new ATOM 1574 N SER A 99 2.704 15.878 -11.443 1.00 0.99 N ATOM 1575 CA SER A 99 2.102 16.425 -12.649 1.00 1.16 C ATOM 1576 C SER A 99 0.642 15.975 -12.746 1.00 1.22 C ATOM 1577 O SER A 99 0.026 16.031 -13.812 1.00 1.30 O ATOM 1578 CB SER A 99 2.890 15.978 -13.882 1.00 1.24 C ATOM 1579 OG SER A 99 4.241 16.411 -13.804 1.00 1.79 O ATOM 0 H SER A 99 2.787 14.861 -11.439 1.00 0.99 H new ATOM 0 HA SER A 99 2.130 17.514 -12.604 1.00 1.16 H new ATOM 0 HB2 SER A 99 2.856 14.892 -13.966 1.00 1.24 H new ATOM 0 HB3 SER A 99 2.426 16.382 -14.782 1.00 1.24 H new ATOM 0 HG SER A 99 4.727 16.113 -14.601 1.00 1.79 H new ATOM 1585 N TYR A 100 0.115 15.508 -11.614 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.262 15.030 -11.504 1.00 1.30 C ATOM 1587 C TYR A 100 -2.292 16.015 -12.063 1.00 1.17 C ATOM 1588 O TYR A 100 -2.213 17.224 -11.841 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.583 14.710 -10.035 1.00 1.63 C ATOM 1590 CG TYR A 100 -1.392 15.865 -9.054 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -2.254 16.957 -9.039 1.00 3.75 C ATOM 1592 CD2 TYR A 100 -0.350 15.852 -8.135 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -2.085 17.993 -8.141 1.00 4.83 C ATOM 1594 CE2 TYR A 100 -0.178 16.881 -7.231 1.00 3.91 C ATOM 1595 CZ TYR A 100 -1.045 17.950 -7.241 1.00 4.89 C ATOM 1596 OH TYR A 100 -0.876 18.975 -6.338 1.00 5.98 O ATOM 0 H TYR A 100 0.637 15.451 -10.740 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.333 14.129 -12.113 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -2.617 14.371 -9.973 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -0.955 13.878 -9.717 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -3.072 16.995 -9.744 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.339 15.020 -8.128 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -2.765 18.832 -8.145 1.00 4.83 H new ATOM 0 HE2 TYR A 100 0.633 16.847 -6.519 1.00 3.91 H new ATOM 0 HH TYR A 100 -0.096 18.789 -5.774 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.238 15.493 -12.861 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.405 16.247 -13.318 1.00 1.04 C ATOM 1608 C PRO A 101 -5.528 16.320 -12.268 1.00 0.89 C ATOM 1609 O PRO A 101 -6.038 17.396 -11.959 1.00 0.94 O ATOM 1610 CB PRO A 101 -4.859 15.462 -14.550 1.00 1.19 C ATOM 1611 CG PRO A 101 -4.429 14.055 -14.298 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.216 14.121 -13.405 1.00 1.21 C ATOM 0 HA PRO A 101 -4.162 17.290 -13.519 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -5.939 15.526 -14.682 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.403 15.856 -15.458 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -5.228 13.486 -13.822 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -4.192 13.550 -15.234 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -3.266 13.377 -12.610 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -2.300 13.929 -13.964 1.00 1.21 H new ATOM 1620 N GLN A 102 -5.898 15.160 -11.717 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.074 15.046 -10.847 1.00 0.74 C ATOM 1622 C GLN A 102 -6.687 14.762 -9.394 1.00 0.63 C ATOM 1623 O GLN A 102 -7.460 15.019 -8.467 1.00 0.59 O ATOM 1624 CB GLN A 102 -7.973 13.922 -11.366 1.00 0.83 C ATOM 1625 CG GLN A 102 -9.198 13.651 -10.509 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.033 12.506 -11.043 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -9.807 11.347 -10.701 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -11.005 12.822 -11.880 1.00 1.73 N ATOM 0 H GLN A 102 -5.398 14.282 -11.859 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.602 15.999 -10.867 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.299 14.171 -12.376 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -7.385 13.007 -11.438 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -8.883 13.423 -9.491 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -9.810 14.552 -10.459 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -11.159 13.797 -12.138 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.602 12.091 -12.268 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.493 14.223 -9.208 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.025 13.815 -7.890 1.00 0.51 C ATOM 1639 C ILE A 103 -4.922 15.011 -6.948 1.00 0.52 C ATOM 1640 O ILE A 103 -4.098 15.895 -7.128 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.654 13.110 -8.011 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -3.798 11.877 -8.908 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.092 12.727 -6.640 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -2.493 11.407 -9.505 1.00 1.10 C ATOM 0 H ILE A 103 -4.824 14.056 -9.959 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.751 13.118 -7.471 1.00 0.51 H new ATOM 0 HB ILE A 103 -2.944 13.804 -8.461 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -4.235 11.065 -8.327 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.496 12.104 -9.714 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.128 12.234 -6.767 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.964 13.625 -6.036 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.783 12.049 -6.140 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -2.673 10.531 -10.128 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -2.064 12.203 -10.113 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -1.799 11.148 -8.705 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.790 15.019 -5.950 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.822 16.072 -4.947 1.00 0.48 C ATOM 1658 C GLN A 104 -4.527 16.043 -4.150 1.00 0.50 C ATOM 1659 O GLN A 104 -3.873 17.063 -3.957 1.00 0.63 O ATOM 1660 CB GLN A 104 -7.018 15.845 -4.020 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.287 15.487 -4.768 1.00 0.43 C ATOM 1662 CD GLN A 104 -9.080 16.706 -5.186 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.950 17.169 -4.452 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -8.787 17.237 -6.362 1.00 0.98 N ATOM 0 H GLN A 104 -6.494 14.294 -5.812 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.922 17.045 -5.428 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.780 15.047 -3.317 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.191 16.746 -3.432 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -8.031 14.904 -5.653 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -8.909 14.852 -4.137 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -8.057 16.822 -6.941 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.291 18.061 -6.689 1.00 0.98 H new ATOM 1673 N SER A 105 -4.180 14.847 -3.699 1.00 0.40 N ATOM 1674 CA SER A 105 -2.935 14.589 -2.994 1.00 0.41 C ATOM 1675 C SER A 105 -2.682 13.088 -2.979 1.00 0.36 C ATOM 1676 O SER A 105 -3.631 12.298 -3.010 1.00 0.39 O ATOM 1677 CB SER A 105 -3.001 15.109 -1.549 1.00 0.48 C ATOM 1678 OG SER A 105 -3.170 16.515 -1.501 1.00 1.13 O ATOM 0 H SER A 105 -4.763 14.018 -3.814 1.00 0.40 H new ATOM 0 HA SER A 105 -2.126 15.108 -3.507 1.00 0.41 H new ATOM 0 HB2 SER A 105 -3.827 14.626 -1.027 1.00 0.48 H new ATOM 0 HB3 SER A 105 -2.087 14.835 -1.022 1.00 0.48 H new ATOM 0 HG SER A 105 -3.057 16.889 -2.400 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.423 12.689 -2.963 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.097 11.291 -2.770 1.00 0.34 C ATOM 1686 C TYR A 106 0.000 11.168 -1.731 1.00 0.36 C ATOM 1687 O TYR A 106 1.145 11.538 -1.979 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.672 10.607 -4.076 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.699 9.101 -3.959 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.350 8.414 -3.369 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.794 8.372 -4.396 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.313 7.041 -3.218 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.837 6.998 -4.257 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.782 6.337 -3.668 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.825 4.968 -3.529 1.00 0.52 O ATOM 0 H TYR A 106 -0.619 13.306 -3.080 1.00 0.35 H new ATOM 0 HA TYR A 106 -1.997 10.783 -2.423 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.335 10.920 -4.882 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.333 10.932 -4.346 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.213 8.962 -3.021 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.627 8.886 -4.852 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.137 6.523 -2.750 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.695 6.444 -4.609 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.667 4.628 -3.897 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.367 10.651 -0.571 1.00 0.34 N ATOM 1706 CA ASP A 107 0.565 10.480 0.530 1.00 0.36 C ATOM 1707 C ASP A 107 0.252 9.191 1.264 1.00 0.38 C ATOM 1708 O ASP A 107 -0.889 8.957 1.662 1.00 0.46 O ATOM 1709 CB ASP A 107 0.494 11.659 1.513 1.00 0.48 C ATOM 1710 CG ASP A 107 1.191 12.910 1.007 1.00 1.27 C ATOM 1711 OD1 ASP A 107 0.545 13.713 0.297 1.00 1.31 O ATOM 1712 OD2 ASP A 107 2.383 13.107 1.334 1.00 2.25 O ATOM 0 H ASP A 107 -1.316 10.339 -0.366 1.00 0.34 H new ATOM 0 HA ASP A 107 1.573 10.441 0.117 1.00 0.36 H new ATOM 0 HB2 ASP A 107 -0.552 11.891 1.715 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.943 11.360 2.460 1.00 0.48 H new ATOM 1717 N VAL A 108 1.250 8.346 1.413 1.00 0.38 N ATOM 1718 CA VAL A 108 1.086 7.114 2.156 1.00 0.44 C ATOM 1719 C VAL A 108 1.882 7.205 3.448 1.00 0.47 C ATOM 1720 O VAL A 108 2.936 7.831 3.484 1.00 0.58 O ATOM 1721 CB VAL A 108 1.517 5.862 1.333 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.659 6.190 -0.144 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.807 5.246 1.854 1.00 0.70 C ATOM 0 H VAL A 108 2.184 8.489 1.029 1.00 0.38 H new ATOM 0 HA VAL A 108 0.026 6.989 2.378 1.00 0.44 H new ATOM 0 HB VAL A 108 0.721 5.127 1.455 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.960 5.295 -0.688 1.00 0.68 H new ATOM 0 HG12 VAL A 108 0.704 6.546 -0.531 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.414 6.965 -0.274 1.00 0.68 H new ATOM 0 HG21 VAL A 108 3.066 4.377 1.249 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.610 5.981 1.797 1.00 0.70 H new ATOM 0 HG23 VAL A 108 2.670 4.938 2.891 1.00 0.70 H new ATOM 1733 N GLN A 109 1.365 6.614 4.503 1.00 0.44 N ATOM 1734 CA GLN A 109 2.045 6.611 5.785 1.00 0.50 C ATOM 1735 C GLN A 109 2.254 5.193 6.262 1.00 0.30 C ATOM 1736 O GLN A 109 1.291 4.448 6.420 1.00 0.29 O ATOM 1737 CB GLN A 109 1.226 7.344 6.839 1.00 0.85 C ATOM 1738 CG GLN A 109 1.790 8.682 7.272 1.00 0.92 C ATOM 1739 CD GLN A 109 3.265 8.622 7.593 1.00 2.08 C ATOM 1740 OE1 GLN A 109 3.996 9.580 7.370 1.00 2.86 O ATOM 1741 NE2 GLN A 109 3.704 7.506 8.156 1.00 2.81 N ATOM 0 H GLN A 109 0.470 6.125 4.500 1.00 0.44 H new ATOM 0 HA GLN A 109 3.003 7.113 5.648 1.00 0.50 H new ATOM 0 HB2 GLN A 109 0.219 7.499 6.452 1.00 0.85 H new ATOM 0 HB3 GLN A 109 1.135 6.704 7.717 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.625 9.413 6.481 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.246 9.033 8.149 1.00 0.92 H new ATOM 0 HE21 GLN A 109 3.061 6.732 8.324 1.00 2.81 H new ATOM 0 HE22 GLN A 109 4.685 7.421 8.422 1.00 2.81 H new ATOM 1750 N VAL A 110 3.487 4.812 6.515 1.00 0.33 N ATOM 1751 CA VAL A 110 3.721 3.502 7.070 1.00 0.27 C ATOM 1752 C VAL A 110 3.762 3.613 8.594 1.00 0.30 C ATOM 1753 O VAL A 110 4.617 4.293 9.166 1.00 0.41 O ATOM 1754 CB VAL A 110 5.002 2.835 6.506 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.262 3.570 6.925 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.082 1.375 6.929 1.00 0.77 C ATOM 0 H VAL A 110 4.321 5.375 6.350 1.00 0.33 H new ATOM 0 HA VAL A 110 2.901 2.848 6.775 1.00 0.27 H new ATOM 0 HB VAL A 110 4.935 2.888 5.419 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.133 3.066 6.506 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.224 4.595 6.557 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.335 3.577 8.013 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.989 0.927 6.522 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.103 1.312 8.017 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.211 0.839 6.551 1.00 0.77 H new ATOM 1766 N ALA A 111 2.782 2.993 9.238 1.00 0.29 N ATOM 1767 CA ALA A 111 2.649 3.056 10.686 1.00 0.36 C ATOM 1768 C ALA A 111 3.825 2.369 11.352 1.00 0.37 C ATOM 1769 O ALA A 111 4.327 2.824 12.377 1.00 0.44 O ATOM 1770 CB ALA A 111 1.340 2.422 11.130 1.00 0.42 C ATOM 0 H ALA A 111 2.063 2.437 8.775 1.00 0.29 H new ATOM 0 HA ALA A 111 2.642 4.103 10.988 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.258 2.478 12.215 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.505 2.955 10.675 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.317 1.378 10.818 1.00 0.42 H new ATOM 1776 N ASP A 112 4.259 1.268 10.758 1.00 0.35 N ATOM 1777 CA ASP A 112 5.439 0.566 11.231 1.00 0.46 C ATOM 1778 C ASP A 112 6.056 -0.233 10.103 1.00 0.37 C ATOM 1779 O ASP A 112 5.359 -0.950 9.393 1.00 0.35 O ATOM 1780 CB ASP A 112 5.105 -0.364 12.392 1.00 0.67 C ATOM 1781 CG ASP A 112 6.349 -0.941 13.040 1.00 1.36 C ATOM 1782 OD1 ASP A 112 7.337 -0.195 13.205 1.00 2.20 O ATOM 1783 OD2 ASP A 112 6.335 -2.129 13.417 1.00 1.88 O ATOM 0 H ASP A 112 3.810 0.842 9.947 1.00 0.35 H new ATOM 0 HA ASP A 112 6.151 1.312 11.584 1.00 0.46 H new ATOM 0 HB2 ASP A 112 4.529 0.182 13.139 1.00 0.67 H new ATOM 0 HB3 ASP A 112 4.473 -1.177 12.034 1.00 0.67 H new ATOM 1788 N THR A 113 7.348 -0.059 9.923 1.00 0.37 N ATOM 1789 CA THR A 113 8.103 -0.779 8.913 1.00 0.36 C ATOM 1790 C THR A 113 9.428 -1.255 9.515 1.00 0.44 C ATOM 1791 O THR A 113 10.092 -0.502 10.237 1.00 0.55 O ATOM 1792 CB THR A 113 8.360 0.099 7.663 1.00 0.37 C ATOM 1793 OG1 THR A 113 9.011 -0.672 6.643 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.207 1.329 7.996 1.00 0.51 C ATOM 0 H THR A 113 7.910 0.589 10.475 1.00 0.37 H new ATOM 0 HA THR A 113 7.517 -1.640 8.590 1.00 0.36 H new ATOM 0 HB THR A 113 7.391 0.445 7.302 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.161 -0.110 5.854 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.364 1.918 7.092 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.690 1.936 8.740 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.171 1.010 8.394 1.00 0.51 H new ATOM 1802 N ASP A 114 9.818 -2.488 9.240 1.00 0.43 N ATOM 1803 CA ASP A 114 11.050 -3.027 9.807 1.00 0.57 C ATOM 1804 C ASP A 114 11.805 -3.867 8.784 1.00 0.64 C ATOM 1805 O ASP A 114 11.248 -4.274 7.767 1.00 0.61 O ATOM 1806 CB ASP A 114 10.735 -3.859 11.053 1.00 0.60 C ATOM 1807 CG ASP A 114 11.983 -4.337 11.770 1.00 1.24 C ATOM 1808 OD1 ASP A 114 12.604 -3.528 12.485 1.00 1.17 O ATOM 1809 OD2 ASP A 114 12.352 -5.523 11.612 1.00 2.10 O ATOM 0 H ASP A 114 9.308 -3.132 8.635 1.00 0.43 H new ATOM 0 HA ASP A 114 11.689 -2.191 10.091 1.00 0.57 H new ATOM 0 HB2 ASP A 114 10.132 -3.264 11.739 1.00 0.60 H new ATOM 0 HB3 ASP A 114 10.133 -4.721 10.766 1.00 0.60 H new ATOM 1814 N TYR A 115 13.082 -4.109 9.069 1.00 0.84 N ATOM 1815 CA TYR A 115 13.963 -4.848 8.172 1.00 0.99 C ATOM 1816 C TYR A 115 13.632 -6.341 8.166 1.00 0.90 C ATOM 1817 O TYR A 115 13.832 -7.023 7.162 1.00 1.07 O ATOM 1818 CB TYR A 115 15.427 -4.631 8.582 1.00 1.25 C ATOM 1819 CG TYR A 115 15.738 -5.051 10.006 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.605 -4.160 11.063 1.00 1.77 C ATOM 1821 CD2 TYR A 115 16.157 -6.344 10.288 1.00 1.67 C ATOM 1822 CE1 TYR A 115 15.873 -4.549 12.363 1.00 2.16 C ATOM 1823 CE2 TYR A 115 16.429 -6.739 11.582 1.00 2.05 C ATOM 1824 CZ TYR A 115 16.287 -5.840 12.616 1.00 2.26 C ATOM 1825 OH TYR A 115 16.545 -6.237 13.908 1.00 2.75 O ATOM 0 H TYR A 115 13.534 -3.798 9.929 1.00 0.84 H new ATOM 0 HA TYR A 115 13.810 -4.470 7.161 1.00 0.99 H new ATOM 0 HB2 TYR A 115 16.071 -5.188 7.901 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.674 -3.576 8.463 1.00 1.25 H new ATOM 0 HD1 TYR A 115 15.287 -3.147 10.867 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.272 -7.053 9.481 1.00 1.67 H new ATOM 0 HE1 TYR A 115 15.759 -3.846 13.175 1.00 2.16 H new ATOM 0 HE2 TYR A 115 16.752 -7.750 11.783 1.00 2.05 H new ATOM 0 HH TYR A 115 16.825 -7.176 13.912 1.00 2.75 H new ATOM 1835 N ASP A 116 13.139 -6.844 9.289 1.00 0.77 N ATOM 1836 CA ASP A 116 12.823 -8.262 9.421 1.00 0.74 C ATOM 1837 C ASP A 116 11.347 -8.434 9.731 1.00 0.64 C ATOM 1838 O ASP A 116 10.685 -9.343 9.224 1.00 0.66 O ATOM 1839 CB ASP A 116 13.659 -8.889 10.535 1.00 0.82 C ATOM 1840 CG ASP A 116 13.592 -10.400 10.525 1.00 1.03 C ATOM 1841 OD1 ASP A 116 12.591 -10.968 11.012 1.00 1.40 O ATOM 1842 OD2 ASP A 116 14.543 -11.027 10.019 1.00 1.46 O ATOM 0 H ASP A 116 12.948 -6.291 10.125 1.00 0.77 H new ATOM 0 HA ASP A 116 13.055 -8.762 8.481 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.697 -8.573 10.428 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.311 -8.519 11.499 1.00 0.82 H new ATOM 1847 N GLN A 117 10.859 -7.547 10.579 1.00 0.59 N ATOM 1848 CA GLN A 117 9.451 -7.460 10.931 1.00 0.50 C ATOM 1849 C GLN A 117 8.651 -6.932 9.739 1.00 0.37 C ATOM 1850 O GLN A 117 9.212 -6.636 8.683 1.00 0.39 O ATOM 1851 CB GLN A 117 9.270 -6.576 12.176 1.00 0.56 C ATOM 1852 CG GLN A 117 7.908 -6.698 12.848 1.00 1.22 C ATOM 1853 CD GLN A 117 7.644 -8.085 13.404 1.00 1.68 C ATOM 1854 OE1 GLN A 117 8.693 -8.752 13.861 1.00 2.16 O flip ATOM 1855 NE2 GLN A 117 6.505 -8.547 13.435 1.00 2.51 N flip ATOM 0 H GLN A 117 11.439 -6.854 11.051 1.00 0.59 H new ATOM 0 HA GLN A 117 9.073 -8.453 11.175 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.043 -6.830 12.902 1.00 0.56 H new ATOM 0 HB3 GLN A 117 9.429 -5.535 11.893 1.00 0.56 H new ATOM 0 HG2 GLN A 117 7.841 -5.970 13.656 1.00 1.22 H new ATOM 0 HG3 GLN A 117 7.130 -6.447 12.127 1.00 1.22 H new ATOM 0 HE21 GLN A 117 5.723 -8.001 13.073 1.00 2.51 H new ATOM 0 HE22 GLN A 117 6.342 -9.476 13.823 1.00 2.51 H new ATOM 1864 N PHE A 118 7.349 -6.819 9.905 1.00 0.30 N ATOM 1865 CA PHE A 118 6.454 -6.536 8.800 1.00 0.25 C ATOM 1866 C PHE A 118 6.134 -5.050 8.767 1.00 0.26 C ATOM 1867 O PHE A 118 6.670 -4.275 9.561 1.00 0.40 O ATOM 1868 CB PHE A 118 5.154 -7.310 8.988 1.00 0.31 C ATOM 1869 CG PHE A 118 4.260 -6.778 10.066 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.735 -6.477 11.334 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.938 -6.563 9.783 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.890 -5.973 12.302 1.00 0.41 C ATOM 1873 CE2 PHE A 118 2.081 -6.056 10.742 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.559 -5.761 12.004 1.00 0.42 C ATOM 0 H PHE A 118 6.882 -6.920 10.806 1.00 0.30 H new ATOM 0 HA PHE A 118 6.935 -6.832 7.868 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.606 -7.307 8.046 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.395 -8.349 9.214 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.777 -6.639 11.566 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.560 -6.792 8.798 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.268 -5.746 13.288 1.00 0.41 H new ATOM 0 HE2 PHE A 118 1.040 -5.891 10.505 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.893 -5.365 12.756 1.00 0.42 H new ATOM 1884 N ALA A 119 5.271 -4.652 7.852 1.00 0.23 N ATOM 1885 CA ALA A 119 4.948 -3.246 7.698 1.00 0.23 C ATOM 1886 C ALA A 119 3.459 -3.024 7.468 1.00 0.21 C ATOM 1887 O ALA A 119 2.818 -3.744 6.703 1.00 0.28 O ATOM 1888 CB ALA A 119 5.766 -2.623 6.574 1.00 0.25 C ATOM 0 H ALA A 119 4.784 -5.276 7.209 1.00 0.23 H new ATOM 0 HA ALA A 119 5.209 -2.751 8.633 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.507 -1.569 6.477 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.828 -2.716 6.802 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.549 -3.138 5.638 1.00 0.25 H new ATOM 1894 N MET A 120 2.927 -2.021 8.144 1.00 0.19 N ATOM 1895 CA MET A 120 1.524 -1.642 8.018 1.00 0.21 C ATOM 1896 C MET A 120 1.433 -0.226 7.471 1.00 0.22 C ATOM 1897 O MET A 120 2.023 0.691 8.038 1.00 0.25 O ATOM 1898 CB MET A 120 0.830 -1.722 9.379 1.00 0.27 C ATOM 1899 CG MET A 120 0.091 -3.035 9.627 1.00 0.48 C ATOM 1900 SD MET A 120 -0.670 -3.100 11.262 1.00 0.63 S ATOM 1901 CE MET A 120 0.753 -2.814 12.312 1.00 1.47 C ATOM 0 H MET A 120 3.454 -1.443 8.798 1.00 0.19 H new ATOM 0 HA MET A 120 1.026 -2.329 7.334 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.574 -1.583 10.163 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.122 -0.898 9.462 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.679 -3.165 8.866 1.00 0.48 H new ATOM 0 HG3 MET A 120 0.788 -3.866 9.521 1.00 0.48 H new ATOM 0 HE1 MET A 120 0.685 -3.447 13.197 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.664 -3.054 11.763 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.777 -1.767 12.615 1.00 1.47 H new ATOM 1911 N VAL A 121 0.709 -0.036 6.376 1.00 0.25 N ATOM 1912 CA VAL A 121 0.722 1.254 5.698 1.00 0.26 C ATOM 1913 C VAL A 121 -0.691 1.795 5.477 1.00 0.29 C ATOM 1914 O VAL A 121 -1.614 1.042 5.198 1.00 0.39 O ATOM 1915 CB VAL A 121 1.414 1.180 4.319 1.00 0.28 C ATOM 1916 CG1 VAL A 121 1.896 2.559 3.912 1.00 0.34 C ATOM 1917 CG2 VAL A 121 2.578 0.202 4.318 1.00 0.28 C ATOM 0 H VAL A 121 0.115 -0.744 5.944 1.00 0.25 H new ATOM 0 HA VAL A 121 1.280 1.920 6.356 1.00 0.26 H new ATOM 0 HB VAL A 121 0.680 0.818 3.599 1.00 0.28 H new ATOM 0 HG11 VAL A 121 2.383 2.502 2.939 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.046 3.239 3.853 1.00 0.34 H new ATOM 0 HG13 VAL A 121 2.606 2.929 4.652 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.035 0.182 3.329 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.318 0.517 5.054 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.216 -0.795 4.571 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.839 3.103 5.605 1.00 0.25 N ATOM 1928 CA PHE A 122 -2.060 3.796 5.221 1.00 0.27 C ATOM 1929 C PHE A 122 -1.800 4.533 3.908 1.00 0.27 C ATOM 1930 O PHE A 122 -0.881 5.341 3.813 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.492 4.762 6.349 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.572 5.769 5.988 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -3.333 6.764 5.049 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.825 5.726 6.593 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -4.306 7.682 4.720 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.800 6.646 6.262 1.00 0.38 C ATOM 1937 CZ PHE A 122 -5.541 7.623 5.325 1.00 0.63 C ATOM 0 H PHE A 122 -0.115 3.717 5.979 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.877 3.090 5.071 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.844 4.169 7.193 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.612 5.309 6.688 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -2.367 6.819 4.568 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -5.037 4.965 7.329 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -4.100 8.448 3.987 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.768 6.600 6.739 1.00 0.38 H new ATOM 0 HZ PHE A 122 -6.305 8.341 5.066 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.589 4.232 2.892 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.439 4.872 1.588 1.00 0.34 C ATOM 1949 C PHE A 123 -3.572 5.862 1.339 1.00 0.35 C ATOM 1950 O PHE A 123 -4.745 5.488 1.370 1.00 0.38 O ATOM 1951 CB PHE A 123 -2.423 3.829 0.469 1.00 0.37 C ATOM 1952 CG PHE A 123 -1.108 3.120 0.287 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.599 2.293 1.272 1.00 0.32 C ATOM 1954 CD2 PHE A 123 -0.394 3.265 -0.893 1.00 0.45 C ATOM 1955 CE1 PHE A 123 0.597 1.624 1.085 1.00 0.33 C ATOM 1956 CE2 PHE A 123 0.804 2.604 -1.082 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.300 1.782 -0.093 1.00 0.41 C ATOM 0 H PHE A 123 -3.343 3.547 2.941 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.490 5.407 1.590 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -3.195 3.087 0.672 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.689 4.318 -0.468 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -1.142 2.168 2.197 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.780 3.903 -1.674 1.00 0.45 H new ATOM 0 HE1 PHE A 123 0.981 0.978 1.860 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.352 2.731 -2.004 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.236 1.263 -0.239 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.214 7.116 1.088 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.195 8.156 0.801 1.00 0.39 C ATOM 1969 C GLN A 124 -4.076 8.637 -0.644 1.00 0.34 C ATOM 1970 O GLN A 124 -3.079 9.255 -1.026 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.007 9.340 1.758 1.00 0.45 C ATOM 1972 CG GLN A 124 -4.799 10.583 1.372 1.00 0.67 C ATOM 1973 CD GLN A 124 -4.533 11.755 2.297 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -5.246 11.964 3.276 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -3.494 12.519 2.003 1.00 1.57 N ATOM 0 H GLN A 124 -2.246 7.438 1.078 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.189 7.731 0.944 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.300 9.032 2.762 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -2.948 9.595 1.800 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -4.547 10.867 0.350 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -5.864 10.349 1.385 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -2.926 12.313 1.181 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -3.261 13.314 2.598 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.091 8.344 -1.443 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.169 8.850 -2.803 1.00 0.38 C ATOM 1986 C LYS A 125 -6.427 9.686 -2.964 1.00 0.35 C ATOM 1987 O LYS A 125 -7.532 9.181 -2.838 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.186 7.709 -3.824 1.00 0.53 C ATOM 1989 CG LYS A 125 -5.334 8.198 -5.258 1.00 0.98 C ATOM 1990 CD LYS A 125 -5.426 7.052 -6.252 1.00 1.06 C ATOM 1991 CE LYS A 125 -5.612 7.570 -7.670 1.00 1.36 C ATOM 1992 NZ LYS A 125 -5.731 6.471 -8.663 1.00 1.55 N ATOM 0 H LYS A 125 -5.877 7.754 -1.169 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.285 9.461 -2.986 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.264 7.135 -3.735 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.007 7.031 -3.590 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.227 8.818 -5.338 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -4.484 8.830 -5.513 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -4.521 6.447 -6.199 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -6.260 6.402 -5.987 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -6.506 8.193 -7.712 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -4.768 8.206 -7.935 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -5.856 6.874 -9.614 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -4.868 5.891 -8.644 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.552 5.878 -8.428 1.00 1.55 H new ATOM 2006 N THR A 126 -6.266 10.961 -3.230 1.00 0.31 N ATOM 2007 CA THR A 126 -7.413 11.819 -3.447 1.00 0.31 C ATOM 2008 C THR A 126 -7.523 12.183 -4.915 1.00 0.34 C ATOM 2009 O THR A 126 -6.513 12.456 -5.558 1.00 0.39 O ATOM 2010 CB THR A 126 -7.312 13.107 -2.627 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.137 13.073 -1.809 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.532 13.289 -1.749 1.00 0.47 C ATOM 0 H THR A 126 -5.361 11.427 -3.302 1.00 0.31 H new ATOM 0 HA THR A 126 -8.298 11.267 -3.129 1.00 0.31 H new ATOM 0 HB THR A 126 -7.254 13.946 -3.320 1.00 0.35 H new ATOM 0 HG1 THR A 126 -6.077 13.901 -1.288 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.434 14.212 -1.177 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.424 13.341 -2.373 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.617 12.445 -1.064 1.00 0.47 H new ATOM 2020 N SER A 127 -8.727 12.160 -5.457 1.00 0.37 N ATOM 2021 CA SER A 127 -8.934 12.565 -6.834 1.00 0.45 C ATOM 2022 C SER A 127 -10.341 13.116 -7.027 1.00 0.51 C ATOM 2023 O SER A 127 -11.321 12.424 -6.767 1.00 0.52 O ATOM 2024 CB SER A 127 -8.700 11.378 -7.774 1.00 0.54 C ATOM 2025 OG SER A 127 -7.396 10.841 -7.611 1.00 0.87 O ATOM 0 H SER A 127 -9.572 11.867 -4.967 1.00 0.37 H new ATOM 0 HA SER A 127 -8.219 13.353 -7.072 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.442 10.604 -7.577 1.00 0.54 H new ATOM 0 HB3 SER A 127 -8.838 11.697 -8.807 1.00 0.54 H new ATOM 0 HG SER A 127 -6.882 11.409 -7.000 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.424 14.375 -7.457 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.702 15.024 -7.766 1.00 0.74 C ATOM 2033 C GLU A 128 -12.644 14.999 -6.561 1.00 0.66 C ATOM 2034 O GLU A 128 -13.820 14.657 -6.674 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.342 14.348 -8.981 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.509 15.115 -9.571 1.00 1.26 C ATOM 2037 CD GLU A 128 -13.727 14.796 -11.036 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.062 15.419 -11.889 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -14.563 13.925 -11.346 1.00 2.13 O ATOM 0 H GLU A 128 -9.611 14.974 -7.601 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.513 16.071 -8.004 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -11.582 14.214 -9.751 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -12.683 13.354 -8.693 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.415 14.880 -9.012 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -13.332 16.185 -9.457 1.00 1.26 H new ATOM 2046 N ASN A 129 -12.091 15.350 -5.405 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.832 15.391 -4.139 1.00 0.70 C ATOM 2048 C ASN A 129 -13.186 13.993 -3.647 1.00 0.59 C ATOM 2049 O ASN A 129 -13.705 13.832 -2.545 1.00 0.71 O ATOM 2050 CB ASN A 129 -14.107 16.236 -4.251 1.00 0.91 C ATOM 2051 CG ASN A 129 -13.829 17.716 -4.442 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -12.744 18.207 -3.863 1.00 1.64 O flip ATOM 2053 ND2 ASN A 129 -14.596 18.418 -5.098 1.00 2.21 N flip ATOM 0 H ASN A 129 -11.111 15.617 -5.314 1.00 0.64 H new ATOM 0 HA ASN A 129 -12.169 15.859 -3.412 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -14.703 15.874 -5.089 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.706 16.099 -3.351 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -15.422 18.005 -5.530 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -14.406 19.414 -5.210 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.918 12.983 -4.456 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.158 11.616 -4.047 1.00 0.49 C ATOM 2062 C LYS A 130 -11.893 11.068 -3.414 1.00 0.42 C ATOM 2063 O LYS A 130 -10.833 11.048 -4.042 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.572 10.738 -5.237 1.00 0.64 C ATOM 2065 CG LYS A 130 -14.474 11.430 -6.253 1.00 1.02 C ATOM 2066 CD LYS A 130 -15.692 12.078 -5.609 1.00 1.36 C ATOM 2067 CE LYS A 130 -16.605 11.059 -4.950 1.00 2.08 C ATOM 2068 NZ LYS A 130 -17.770 11.714 -4.302 1.00 2.80 N ATOM 0 H LYS A 130 -12.536 13.086 -5.396 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.977 11.603 -3.328 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -12.673 10.391 -5.746 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -14.085 9.854 -4.858 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -13.901 12.190 -6.784 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -14.804 10.703 -6.995 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -15.364 12.804 -4.865 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -16.251 12.628 -6.366 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -16.955 10.346 -5.696 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -16.044 10.493 -4.207 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -18.374 10.991 -3.861 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -17.435 12.376 -3.574 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -18.318 12.234 -5.017 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.987 10.666 -2.162 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.840 10.108 -1.474 1.00 0.44 C ATOM 2084 C GLN A 131 -10.846 8.592 -1.589 1.00 0.48 C ATOM 2085 O GLN A 131 -11.853 7.940 -1.317 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.827 10.502 0.001 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.630 11.991 0.221 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.919 12.427 1.643 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -12.048 12.781 1.983 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -9.900 12.402 2.488 1.00 1.57 N ATOM 0 H GLN A 131 -12.839 10.715 -1.604 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.944 10.511 -1.947 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.766 10.195 0.461 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -10.031 9.958 0.509 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.604 12.257 -0.032 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.279 12.541 -0.460 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -8.979 12.102 2.168 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.036 12.682 3.459 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.723 8.045 -1.999 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.529 6.608 -2.030 1.00 0.50 C ATOM 2101 C TYR A 132 -8.400 6.278 -1.080 1.00 0.44 C ATOM 2102 O TYR A 132 -7.287 6.777 -1.211 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.207 6.093 -3.433 1.00 0.57 C ATOM 2104 CG TYR A 132 -10.075 6.694 -4.526 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -9.768 7.928 -5.094 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -11.206 6.027 -4.983 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -10.564 8.476 -6.082 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -12.005 6.571 -5.972 1.00 1.01 C ATOM 2109 CZ TYR A 132 -11.680 7.794 -6.518 1.00 0.96 C ATOM 2110 OH TYR A 132 -12.472 8.336 -7.502 1.00 1.12 O ATOM 0 H TYR A 132 -8.917 8.582 -2.321 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.455 6.118 -1.729 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.161 6.305 -3.656 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.322 5.009 -3.446 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -8.894 8.465 -4.757 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -11.465 5.068 -4.559 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -10.313 9.435 -6.511 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -12.880 6.040 -6.315 1.00 1.01 H new ATOM 0 HH TYR A 132 -13.217 7.728 -7.694 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.698 5.440 -0.129 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.847 5.264 1.030 1.00 0.30 C ATOM 2122 C PHE A 133 -7.875 3.818 1.474 1.00 0.25 C ATOM 2123 O PHE A 133 -8.930 3.173 1.453 1.00 0.30 O ATOM 2124 CB PHE A 133 -8.322 6.195 2.157 1.00 0.45 C ATOM 2125 CG PHE A 133 -9.805 6.113 2.413 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.711 6.581 1.472 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -10.291 5.545 3.574 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -12.065 6.486 1.686 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -11.646 5.446 3.789 1.00 1.82 C ATOM 2130 CZ PHE A 133 -12.532 5.915 2.844 1.00 1.95 C ATOM 0 H PHE A 133 -9.535 4.857 -0.128 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.819 5.521 0.775 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -7.788 5.946 3.074 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -8.060 7.223 1.905 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.347 7.026 0.558 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -9.602 5.176 4.319 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -12.759 6.859 0.947 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -12.016 5.000 4.700 1.00 1.82 H new ATOM 0 HZ PHE A 133 -13.595 5.833 3.014 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.719 3.299 1.845 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.620 1.909 2.232 1.00 0.24 C ATOM 2142 C LYS A 134 -5.477 1.696 3.220 1.00 0.17 C ATOM 2143 O LYS A 134 -4.570 2.518 3.323 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.424 1.031 0.990 1.00 0.38 C ATOM 2145 CG LYS A 134 -5.011 1.033 0.436 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.851 -0.024 -0.642 1.00 0.76 C ATOM 2147 CE LYS A 134 -3.387 -0.296 -0.949 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.705 0.893 -1.528 1.00 1.30 N ATOM 0 H LYS A 134 -5.842 3.818 1.886 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.549 1.623 2.726 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.703 0.007 1.237 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -7.107 1.368 0.210 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.778 2.015 0.025 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -4.300 0.848 1.241 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -5.333 -0.947 -0.321 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -5.359 0.302 -1.550 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.875 -0.597 -0.035 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -3.312 -1.131 -1.646 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.989 0.582 -2.216 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.405 1.496 -2.005 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -2.244 1.433 -0.768 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.539 0.588 3.933 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.507 0.196 4.873 1.00 0.17 C ATOM 2164 C VAL A 135 -3.933 -1.157 4.445 1.00 0.20 C ATOM 2165 O VAL A 135 -4.673 -2.112 4.222 1.00 0.30 O ATOM 2166 CB VAL A 135 -5.075 0.162 6.319 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -4.593 -1.047 7.111 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -4.730 1.456 7.049 1.00 0.78 C ATOM 0 H VAL A 135 -6.315 -0.072 3.875 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.699 0.927 4.870 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.158 0.070 6.238 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.021 -1.019 8.113 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -4.908 -1.961 6.607 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -3.505 -1.027 7.180 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -5.133 1.421 8.061 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -3.647 1.571 7.093 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -5.163 2.302 6.515 1.00 0.78 H new ATOM 2178 N THR A 136 -2.624 -1.221 4.281 1.00 0.20 N ATOM 2179 CA THR A 136 -1.985 -2.399 3.721 1.00 0.22 C ATOM 2180 C THR A 136 -1.289 -3.224 4.791 1.00 0.24 C ATOM 2181 O THR A 136 -0.980 -2.730 5.880 1.00 0.47 O ATOM 2182 CB THR A 136 -0.924 -2.017 2.668 1.00 0.43 C ATOM 2183 OG1 THR A 136 0.198 -1.419 3.313 1.00 1.41 O ATOM 2184 CG2 THR A 136 -1.470 -1.036 1.655 1.00 0.65 C ATOM 0 H THR A 136 -1.981 -0.469 4.528 1.00 0.20 H new ATOM 0 HA THR A 136 -2.783 -2.982 3.261 1.00 0.22 H new ATOM 0 HB THR A 136 -0.633 -2.931 2.150 1.00 0.43 H new ATOM 0 HG1 THR A 136 0.986 -1.494 2.735 1.00 1.41 H new ATOM 0 HG21 THR A 136 -0.693 -0.791 0.930 1.00 0.65 H new ATOM 0 HG22 THR A 136 -2.321 -1.481 1.139 1.00 0.65 H new ATOM 0 HG23 THR A 136 -1.790 -0.127 2.165 1.00 0.65 H new ATOM 2192 N LEU A 137 -1.046 -4.481 4.464 1.00 0.18 N ATOM 2193 CA LEU A 137 -0.187 -5.326 5.262 1.00 0.21 C ATOM 2194 C LEU A 137 0.926 -5.848 4.369 1.00 0.17 C ATOM 2195 O LEU A 137 0.676 -6.652 3.469 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.985 -6.487 5.866 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.343 -7.187 7.071 1.00 0.34 C ATOM 2198 CD1 LEU A 137 0.822 -8.065 6.646 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.123 -6.156 8.080 1.00 0.68 C ATOM 0 H LEU A 137 -1.438 -4.939 3.641 1.00 0.18 H new ATOM 0 HA LEU A 137 0.236 -4.754 6.088 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.963 -6.112 6.167 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -1.154 -7.230 5.087 1.00 0.33 H new ATOM 0 HG LEU A 137 -1.096 -7.828 7.530 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.254 -8.546 7.523 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.469 -8.827 5.951 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.580 -7.453 6.158 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.578 -6.661 8.932 1.00 0.68 H new ATOM 0 HD22 LEU A 137 0.856 -5.497 7.615 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.730 -5.568 8.419 1.00 0.68 H new ATOM 2211 N TYR A 138 2.137 -5.369 4.595 1.00 0.18 N ATOM 2212 CA TYR A 138 3.282 -5.800 3.813 1.00 0.26 C ATOM 2213 C TYR A 138 4.210 -6.651 4.661 1.00 0.20 C ATOM 2214 O TYR A 138 4.334 -6.439 5.868 1.00 0.25 O ATOM 2215 CB TYR A 138 4.051 -4.604 3.241 1.00 0.44 C ATOM 2216 CG TYR A 138 3.300 -3.840 2.174 1.00 0.59 C ATOM 2217 CD1 TYR A 138 2.535 -4.503 1.223 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.357 -2.455 2.118 1.00 0.54 C ATOM 2219 CE1 TYR A 138 1.847 -3.806 0.250 1.00 2.04 C ATOM 2220 CE2 TYR A 138 2.673 -1.752 1.146 1.00 1.18 C ATOM 2221 CZ TYR A 138 1.922 -2.433 0.214 1.00 1.94 C ATOM 2222 OH TYR A 138 1.235 -1.738 -0.754 1.00 2.64 O ATOM 0 H TYR A 138 2.353 -4.680 5.315 1.00 0.18 H new ATOM 0 HA TYR A 138 2.908 -6.395 2.979 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.298 -3.922 4.055 1.00 0.44 H new ATOM 0 HB3 TYR A 138 4.994 -4.958 2.824 1.00 0.44 H new ATOM 0 HD1 TYR A 138 2.477 -5.581 1.245 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.946 -1.918 2.847 1.00 0.54 H new ATOM 0 HE1 TYR A 138 1.253 -4.336 -0.479 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.727 -0.674 1.117 1.00 1.18 H new ATOM 0 HH TYR A 138 1.265 -0.779 -0.552 1.00 2.64 H new ATOM 2232 N GLY A 139 4.850 -7.616 4.026 1.00 0.28 N ATOM 2233 CA GLY A 139 5.760 -8.487 4.726 1.00 0.29 C ATOM 2234 C GLY A 139 7.104 -8.575 4.045 1.00 0.33 C ATOM 2235 O GLY A 139 7.206 -8.392 2.831 1.00 0.45 O ATOM 0 H GLY A 139 4.753 -7.811 3.030 1.00 0.28 H new ATOM 0 HA2 GLY A 139 5.894 -8.125 5.745 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.324 -9.484 4.796 1.00 0.29 H new ATOM 2239 N ARG A 140 8.130 -8.873 4.831 1.00 0.37 N ATOM 2240 CA ARG A 140 9.496 -8.961 4.331 1.00 0.49 C ATOM 2241 C ARG A 140 9.690 -10.208 3.451 1.00 0.38 C ATOM 2242 O ARG A 140 10.720 -10.361 2.793 1.00 0.51 O ATOM 2243 CB ARG A 140 10.456 -8.963 5.529 1.00 0.78 C ATOM 2244 CG ARG A 140 11.932 -8.907 5.172 1.00 1.61 C ATOM 2245 CD ARG A 140 12.610 -10.244 5.421 1.00 1.91 C ATOM 2246 NE ARG A 140 12.374 -10.721 6.785 1.00 2.46 N ATOM 2247 CZ ARG A 140 12.377 -12.006 7.134 1.00 3.13 C ATOM 2248 NH1 ARG A 140 12.697 -12.936 6.246 1.00 3.38 N ATOM 2249 NH2 ARG A 140 12.090 -12.359 8.380 1.00 3.99 N ATOM 0 H ARG A 140 8.040 -9.060 5.830 1.00 0.37 H new ATOM 0 HA ARG A 140 9.709 -8.099 3.699 1.00 0.49 H new ATOM 0 HB2 ARG A 140 10.219 -8.111 6.166 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.275 -9.862 6.119 1.00 0.78 H new ATOM 0 HG2 ARG A 140 12.045 -8.629 4.124 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.422 -8.133 5.762 1.00 1.61 H new ATOM 0 HD2 ARG A 140 12.238 -10.980 4.708 1.00 1.91 H new ATOM 0 HD3 ARG A 140 13.682 -10.147 5.249 1.00 1.91 H new ATOM 0 HE ARG A 140 12.197 -10.027 7.511 1.00 2.46 H new ATOM 0 HH11 ARG A 140 12.942 -12.668 5.293 1.00 3.38 H new ATOM 0 HH12 ARG A 140 12.699 -13.920 6.516 1.00 3.38 H new ATOM 0 HH21 ARG A 140 11.866 -11.645 9.074 1.00 3.99 H new ATOM 0 HH22 ARG A 140 12.093 -13.344 8.645 1.00 3.99 H new ATOM 2263 N THR A 141 8.687 -11.085 3.431 1.00 0.40 N ATOM 2264 CA THR A 141 8.741 -12.304 2.633 1.00 0.58 C ATOM 2265 C THR A 141 7.371 -12.987 2.617 1.00 0.64 C ATOM 2266 O THR A 141 6.441 -12.537 3.292 1.00 1.14 O ATOM 2267 CB THR A 141 9.809 -13.281 3.180 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.986 -14.378 2.274 1.00 1.13 O ATOM 2269 CG2 THR A 141 9.421 -13.808 4.556 1.00 0.94 C ATOM 0 H THR A 141 7.824 -10.971 3.962 1.00 0.40 H new ATOM 0 HA THR A 141 9.017 -12.028 1.615 1.00 0.58 H new ATOM 0 HB THR A 141 10.747 -12.733 3.274 1.00 0.85 H new ATOM 0 HG1 THR A 141 10.665 -14.989 2.629 1.00 1.13 H new ATOM 0 HG21 THR A 141 10.191 -14.492 4.914 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.325 -12.974 5.251 1.00 0.94 H new ATOM 0 HG23 THR A 141 8.470 -14.336 4.489 1.00 0.94 H new ATOM 2277 N LYS A 142 7.256 -14.065 1.842 1.00 0.79 N ATOM 2278 CA LYS A 142 6.022 -14.848 1.738 1.00 0.87 C ATOM 2279 C LYS A 142 5.770 -15.688 2.997 1.00 0.84 C ATOM 2280 O LYS A 142 5.257 -16.803 2.902 1.00 1.09 O ATOM 2281 CB LYS A 142 6.119 -15.807 0.547 1.00 1.02 C ATOM 2282 CG LYS A 142 6.248 -15.144 -0.812 1.00 1.17 C ATOM 2283 CD LYS A 142 4.909 -14.648 -1.323 1.00 0.84 C ATOM 2284 CE LYS A 142 4.957 -14.387 -2.821 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.239 -15.629 -3.597 1.00 1.57 N ATOM 0 H LYS A 142 8.018 -14.422 1.266 1.00 0.79 H new ATOM 0 HA LYS A 142 5.202 -14.141 1.612 1.00 0.87 H new ATOM 0 HB2 LYS A 142 6.979 -16.460 0.697 1.00 1.02 H new ATOM 0 HB3 LYS A 142 5.233 -16.442 0.540 1.00 1.02 H new ATOM 0 HG2 LYS A 142 6.944 -14.308 -0.745 1.00 1.17 H new ATOM 0 HG3 LYS A 142 6.669 -15.853 -1.524 1.00 1.17 H new ATOM 0 HD2 LYS A 142 4.137 -15.385 -1.104 1.00 0.84 H new ATOM 0 HD3 LYS A 142 4.633 -13.732 -0.800 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.006 -13.965 -3.146 1.00 0.85 H new ATOM 0 HE3 LYS A 142 5.725 -13.644 -3.035 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 4.846 -15.536 -4.555 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 6.267 -15.775 -3.657 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 4.801 -16.443 -3.120 1.00 1.57 H new ATOM 2299 N GLY A 143 6.101 -15.163 4.168 1.00 0.67 N ATOM 2300 CA GLY A 143 6.034 -15.979 5.365 1.00 0.70 C ATOM 2301 C GLY A 143 5.875 -15.156 6.617 1.00 0.62 C ATOM 2302 O GLY A 143 6.674 -15.260 7.547 1.00 0.74 O ATOM 0 H GLY A 143 6.410 -14.202 4.311 1.00 0.67 H new ATOM 0 HA2 GLY A 143 5.197 -16.673 5.281 1.00 0.70 H new ATOM 0 HA3 GLY A 143 6.940 -16.580 5.442 1.00 0.70 H new ATOM 2306 N LEU A 144 4.839 -14.334 6.645 1.00 0.52 N ATOM 2307 CA LEU A 144 4.589 -13.468 7.786 1.00 0.46 C ATOM 2308 C LEU A 144 3.426 -14.025 8.593 1.00 0.48 C ATOM 2309 O LEU A 144 2.364 -14.327 8.043 1.00 0.53 O ATOM 2310 CB LEU A 144 4.302 -12.029 7.327 1.00 0.43 C ATOM 2311 CG LEU A 144 5.505 -11.228 6.782 1.00 0.40 C ATOM 2312 CD1 LEU A 144 5.769 -10.003 7.644 1.00 0.56 C ATOM 2313 CD2 LEU A 144 6.778 -12.058 6.725 1.00 0.56 C ATOM 0 H LEU A 144 4.157 -14.248 5.891 1.00 0.52 H new ATOM 0 HA LEU A 144 5.478 -13.439 8.416 1.00 0.46 H new ATOM 0 HB2 LEU A 144 3.536 -12.064 6.552 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.879 -11.480 8.169 1.00 0.43 H new ATOM 0 HG LEU A 144 5.238 -10.930 5.768 1.00 0.40 H new ATOM 0 HD11 LEU A 144 6.620 -9.453 7.243 1.00 0.56 H new ATOM 0 HD12 LEU A 144 4.888 -9.361 7.643 1.00 0.56 H new ATOM 0 HD13 LEU A 144 5.988 -10.317 8.665 1.00 0.56 H new ATOM 0 HD21 LEU A 144 7.593 -11.448 6.335 1.00 0.56 H new ATOM 0 HD22 LEU A 144 7.032 -12.405 7.727 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.623 -12.917 6.072 1.00 0.56 H new ATOM 2325 N SER A 145 3.656 -14.194 9.887 1.00 0.51 N ATOM 2326 CA SER A 145 2.719 -14.865 10.779 1.00 0.56 C ATOM 2327 C SER A 145 1.358 -14.170 10.820 1.00 0.50 C ATOM 2328 O SER A 145 1.254 -12.951 10.683 1.00 0.49 O ATOM 2329 CB SER A 145 3.324 -14.914 12.180 1.00 0.65 C ATOM 2330 OG SER A 145 4.670 -15.364 12.131 1.00 1.43 O ATOM 0 H SER A 145 4.503 -13.868 10.351 1.00 0.51 H new ATOM 0 HA SER A 145 2.549 -15.873 10.400 1.00 0.56 H new ATOM 0 HB2 SER A 145 3.283 -13.924 12.634 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.736 -15.579 12.812 1.00 0.65 H new ATOM 0 HG SER A 145 5.040 -15.387 13.038 1.00 1.43 H new ATOM 2336 N ASP A 146 0.318 -14.982 11.022 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.070 -14.517 11.082 1.00 0.51 C ATOM 2338 C ASP A 146 -1.254 -13.432 12.138 1.00 0.48 C ATOM 2339 O ASP A 146 -2.166 -12.608 12.044 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.004 -15.695 11.378 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.471 -15.321 11.298 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -3.972 -15.107 10.175 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -4.137 -15.265 12.352 1.00 2.08 O ATOM 0 H ASP A 146 0.416 -15.989 11.150 1.00 0.53 H new ATOM 0 HA ASP A 146 -1.319 -14.087 10.112 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -1.801 -16.500 10.671 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -1.787 -16.083 12.373 1.00 0.62 H new ATOM 2348 N GLU A 147 -0.366 -13.435 13.126 1.00 0.51 N ATOM 2349 CA GLU A 147 -0.377 -12.448 14.201 1.00 0.53 C ATOM 2350 C GLU A 147 -0.345 -11.025 13.646 1.00 0.45 C ATOM 2351 O GLU A 147 -1.178 -10.194 13.992 1.00 0.46 O ATOM 2352 CB GLU A 147 0.849 -12.683 15.092 1.00 0.62 C ATOM 2353 CG GLU A 147 1.216 -11.512 15.994 1.00 0.72 C ATOM 2354 CD GLU A 147 0.304 -11.368 17.191 1.00 1.25 C ATOM 2355 OE1 GLU A 147 0.591 -11.997 18.231 1.00 1.48 O ATOM 2356 OE2 GLU A 147 -0.687 -10.621 17.106 1.00 1.99 O ATOM 0 H GLU A 147 0.383 -14.123 13.205 1.00 0.51 H new ATOM 0 HA GLU A 147 -1.296 -12.561 14.777 1.00 0.53 H new ATOM 0 HB2 GLU A 147 0.666 -13.559 15.714 1.00 0.62 H new ATOM 0 HB3 GLU A 147 1.703 -12.916 14.456 1.00 0.62 H new ATOM 0 HG2 GLU A 147 2.242 -11.638 16.341 1.00 0.72 H new ATOM 0 HG3 GLU A 147 1.187 -10.591 15.411 1.00 0.72 H new ATOM 2363 N LEU A 148 0.596 -10.766 12.751 1.00 0.41 N ATOM 2364 CA LEU A 148 0.789 -9.423 12.229 1.00 0.37 C ATOM 2365 C LEU A 148 -0.319 -9.048 11.245 1.00 0.31 C ATOM 2366 O LEU A 148 -0.690 -7.879 11.121 1.00 0.29 O ATOM 2367 CB LEU A 148 2.192 -9.285 11.616 1.00 0.37 C ATOM 2368 CG LEU A 148 2.622 -10.366 10.619 1.00 0.35 C ATOM 2369 CD1 LEU A 148 2.153 -10.042 9.212 1.00 0.33 C ATOM 2370 CD2 LEU A 148 4.132 -10.530 10.650 1.00 0.38 C ATOM 0 H LEU A 148 1.235 -11.465 12.373 1.00 0.41 H new ATOM 0 HA LEU A 148 0.723 -8.713 13.053 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.250 -8.319 11.115 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.917 -9.266 12.429 1.00 0.37 H new ATOM 0 HG LEU A 148 2.154 -11.305 10.915 1.00 0.35 H new ATOM 0 HD11 LEU A 148 2.475 -10.829 8.531 1.00 0.33 H new ATOM 0 HD12 LEU A 148 1.065 -9.973 9.198 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.581 -9.091 8.896 1.00 0.33 H new ATOM 0 HD21 LEU A 148 4.429 -11.300 9.938 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.606 -9.586 10.382 1.00 0.38 H new ATOM 0 HD23 LEU A 148 4.446 -10.822 11.652 1.00 0.38 H new ATOM 2382 N LYS A 149 -0.866 -10.049 10.572 1.00 0.31 N ATOM 2383 CA LYS A 149 -1.949 -9.830 9.621 1.00 0.29 C ATOM 2384 C LYS A 149 -3.209 -9.349 10.344 1.00 0.29 C ATOM 2385 O LYS A 149 -3.839 -8.379 9.938 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.256 -11.123 8.862 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.097 -11.651 8.033 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.284 -13.124 7.691 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.554 -13.378 6.891 1.00 0.83 C ATOM 2390 NZ LYS A 149 -2.459 -12.880 5.494 1.00 1.22 N ATOM 0 H LYS A 149 -0.578 -11.023 10.666 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.633 -9.064 8.913 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -2.554 -11.889 9.578 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.109 -10.951 8.205 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.011 -11.071 7.114 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.165 -11.519 8.582 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -0.423 -13.474 7.121 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -1.315 -13.707 8.612 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -2.763 -14.448 6.878 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -3.395 -12.895 7.389 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -3.366 -13.032 5.009 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -2.236 -11.864 5.502 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -1.708 -13.395 4.992 1.00 1.22 H new ATOM 2404 N GLU A 150 -3.567 -10.026 11.424 1.00 0.33 N ATOM 2405 CA GLU A 150 -4.741 -9.655 12.212 1.00 0.35 C ATOM 2406 C GLU A 150 -4.577 -8.226 12.733 1.00 0.34 C ATOM 2407 O GLU A 150 -5.543 -7.471 12.853 1.00 0.35 O ATOM 2408 CB GLU A 150 -4.908 -10.643 13.373 1.00 0.42 C ATOM 2409 CG GLU A 150 -6.353 -10.964 13.745 1.00 1.02 C ATOM 2410 CD GLU A 150 -7.106 -9.791 14.336 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -6.656 -9.243 15.364 1.00 2.00 O ATOM 2412 OE2 GLU A 150 -8.159 -9.421 13.782 1.00 1.83 O ATOM 0 H GLU A 150 -3.062 -10.838 11.779 1.00 0.33 H new ATOM 0 HA GLU A 150 -5.635 -9.695 11.589 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -4.400 -11.572 13.115 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.404 -10.237 14.251 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -6.879 -11.311 12.856 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -6.360 -11.786 14.460 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.340 -7.861 13.037 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.033 -6.515 13.488 1.00 0.35 C ATOM 2421 C ARG A 151 -3.378 -5.484 12.410 1.00 0.30 C ATOM 2422 O ARG A 151 -3.854 -4.395 12.727 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.559 -6.406 13.887 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.175 -7.352 15.015 1.00 1.21 C ATOM 2425 CD ARG A 151 0.323 -7.362 15.269 1.00 1.20 C ATOM 2426 NE ARG A 151 0.795 -6.119 15.873 1.00 1.71 N ATOM 2427 CZ ARG A 151 2.059 -5.898 16.233 1.00 1.97 C ATOM 2428 NH1 ARG A 151 2.989 -6.823 16.012 1.00 1.74 N ATOM 2429 NH2 ARG A 151 2.389 -4.753 16.817 1.00 2.88 N ATOM 0 H ARG A 151 -2.532 -8.481 12.979 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.645 -6.303 14.365 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -0.937 -6.616 13.017 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.346 -5.381 14.192 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.695 -7.058 15.927 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -1.507 -8.361 14.770 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.572 -8.198 15.923 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.847 -7.527 14.328 1.00 1.20 H new ATOM 0 HE ARG A 151 0.116 -5.374 16.029 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.736 -7.705 15.566 1.00 1.74 H new ATOM 0 HH12 ARG A 151 3.956 -6.651 16.289 1.00 1.74 H new ATOM 0 HH21 ARG A 151 1.676 -4.044 16.989 1.00 2.88 H new ATOM 0 HH22 ARG A 151 3.356 -4.582 17.093 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.169 -5.831 11.134 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.491 -4.901 10.050 1.00 0.27 C ATOM 2445 C PHE A 152 -4.994 -4.667 9.959 1.00 0.23 C ATOM 2446 O PHE A 152 -5.432 -3.528 9.827 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.917 -5.364 8.689 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.914 -5.936 7.699 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.843 -5.121 7.065 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.912 -7.287 7.400 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.747 -5.647 6.170 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.814 -7.818 6.503 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.733 -6.997 5.888 1.00 0.21 C ATOM 0 H PHE A 152 -2.787 -6.728 10.833 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.011 -3.953 10.291 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.419 -4.515 8.221 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.152 -6.117 8.879 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.856 -4.062 7.277 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -3.192 -7.936 7.877 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.467 -5.002 5.688 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.800 -8.875 6.283 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.442 -7.410 5.186 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.792 -5.736 10.023 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.242 -5.586 9.938 1.00 0.22 C ATOM 2465 C VAL A 153 -7.710 -4.709 11.105 1.00 0.25 C ATOM 2466 O VAL A 153 -8.602 -3.882 10.958 1.00 0.28 O ATOM 2467 CB VAL A 153 -7.992 -6.953 9.943 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.280 -7.984 9.075 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.179 -7.495 11.346 1.00 0.28 C ATOM 0 H VAL A 153 -5.465 -6.696 10.131 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.481 -5.114 8.985 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.979 -6.765 9.521 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.830 -8.925 9.102 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.229 -7.622 8.048 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.270 -8.143 9.454 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.706 -8.448 11.301 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.205 -7.641 11.813 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.761 -6.786 11.935 1.00 0.28 H new ATOM 2479 N SER A 154 -7.054 -4.862 12.255 1.00 0.28 N ATOM 2480 CA SER A 154 -7.352 -4.048 13.424 1.00 0.33 C ATOM 2481 C SER A 154 -6.997 -2.582 13.166 1.00 0.32 C ATOM 2482 O SER A 154 -7.751 -1.674 13.530 1.00 0.35 O ATOM 2483 CB SER A 154 -6.593 -4.582 14.639 1.00 0.38 C ATOM 2484 OG SER A 154 -6.927 -5.942 14.886 1.00 1.05 O ATOM 0 H SER A 154 -6.311 -5.546 12.398 1.00 0.28 H new ATOM 0 HA SER A 154 -8.421 -4.105 13.627 1.00 0.33 H new ATOM 0 HB2 SER A 154 -5.520 -4.491 14.472 1.00 0.38 H new ATOM 0 HB3 SER A 154 -6.831 -3.980 15.516 1.00 0.38 H new ATOM 0 HG SER A 154 -6.486 -6.513 14.223 1.00 1.05 H new ATOM 2490 N PHE A 155 -5.859 -2.356 12.512 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.445 -1.009 12.135 1.00 0.29 C ATOM 2492 C PHE A 155 -6.397 -0.453 11.079 1.00 0.28 C ATOM 2493 O PHE A 155 -6.671 0.746 11.041 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.004 -1.008 11.604 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.427 0.371 11.435 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -2.888 1.042 12.520 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.430 0.999 10.198 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.362 2.310 12.376 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -2.908 2.268 10.049 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.372 2.924 11.140 1.00 0.39 C ATOM 0 H PHE A 155 -5.208 -3.090 12.233 1.00 0.29 H new ATOM 0 HA PHE A 155 -5.480 -0.374 13.020 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.373 -1.576 12.288 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -3.979 -1.524 10.644 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -2.879 0.568 13.490 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.846 0.489 9.342 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -1.943 2.821 13.230 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.919 2.747 9.081 1.00 0.30 H new ATOM 0 HZ PHE A 155 -1.961 3.916 11.026 1.00 0.39 H new ATOM 2510 N ALA A 156 -6.915 -1.343 10.238 1.00 0.25 N ATOM 2511 CA ALA A 156 -7.891 -0.977 9.224 1.00 0.25 C ATOM 2512 C ALA A 156 -9.103 -0.310 9.870 1.00 0.28 C ATOM 2513 O ALA A 156 -9.651 0.662 9.347 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.334 -2.209 8.439 1.00 0.25 C ATOM 0 H ALA A 156 -6.670 -2.333 10.242 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.423 -0.272 8.537 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.064 -1.917 7.685 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.470 -2.660 7.952 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -8.785 -2.931 9.120 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.509 -0.832 11.024 1.00 0.33 N ATOM 2521 CA LYS A 157 -10.673 -0.305 11.728 1.00 0.39 C ATOM 2522 C LYS A 157 -10.330 1.004 12.432 1.00 0.41 C ATOM 2523 O LYS A 157 -11.213 1.808 12.725 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.203 -1.301 12.766 1.00 0.50 C ATOM 2525 CG LYS A 157 -11.061 -2.764 12.379 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.639 -3.068 11.006 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.407 -4.523 10.640 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.269 -5.437 11.436 1.00 0.75 N ATOM 0 H LYS A 157 -9.051 -1.616 11.489 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.446 -0.131 10.979 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -10.678 -1.137 13.707 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.257 -1.089 12.947 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -10.006 -3.038 12.393 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -11.561 -3.383 13.124 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -12.707 -2.851 10.999 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.178 -2.421 10.260 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.607 -4.667 9.578 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.360 -4.777 10.804 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.011 -6.423 11.232 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -12.134 -5.247 12.449 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.266 -5.281 11.184 1.00 0.75 H new ATOM 2542 N SER A 158 -9.043 1.217 12.693 1.00 0.48 N ATOM 2543 CA SER A 158 -8.591 2.412 13.400 1.00 0.58 C ATOM 2544 C SER A 158 -8.816 3.664 12.553 1.00 0.49 C ATOM 2545 O SER A 158 -9.022 4.752 13.083 1.00 0.55 O ATOM 2546 CB SER A 158 -7.114 2.279 13.779 1.00 0.81 C ATOM 2547 OG SER A 158 -6.896 1.137 14.596 1.00 1.39 O ATOM 0 H SER A 158 -8.295 0.578 12.426 1.00 0.48 H new ATOM 0 HA SER A 158 -9.178 2.511 14.313 1.00 0.58 H new ATOM 0 HB2 SER A 158 -6.509 2.204 12.875 1.00 0.81 H new ATOM 0 HB3 SER A 158 -6.789 3.175 14.307 1.00 0.81 H new ATOM 0 HG SER A 158 -7.185 0.332 14.117 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.782 3.504 11.235 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.058 4.617 10.332 1.00 0.46 C ATOM 2555 C LEU A 159 -10.562 4.783 10.134 1.00 0.38 C ATOM 2556 O LEU A 159 -11.025 5.813 9.647 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.368 4.425 8.974 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.853 4.693 8.935 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.513 6.049 9.542 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.075 3.589 9.628 1.00 0.76 C ATOM 0 H LEU A 159 -8.568 2.622 10.770 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.656 5.520 10.791 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.543 3.401 8.643 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.850 5.081 8.249 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.557 4.707 7.886 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.435 6.207 9.499 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -7.018 6.836 8.981 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.842 6.076 10.581 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.009 3.811 9.581 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.387 3.523 10.670 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.270 2.639 9.130 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.321 3.766 10.523 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.767 3.841 10.429 1.00 0.41 C ATOM 2574 C GLY A 160 -13.341 2.950 9.345 1.00 0.35 C ATOM 2575 O GLY A 160 -14.466 3.159 8.894 1.00 0.42 O ATOM 0 H GLY A 160 -10.961 2.890 10.902 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.202 3.562 11.389 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -13.059 4.873 10.235 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.584 1.947 8.931 1.00 0.38 N ATOM 2580 CA LEU A 161 -13.033 1.052 7.879 1.00 0.35 C ATOM 2581 C LEU A 161 -13.511 -0.284 8.433 1.00 0.37 C ATOM 2582 O LEU A 161 -13.321 -0.590 9.611 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.927 0.845 6.855 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.135 1.607 5.546 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.801 2.065 4.972 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.876 0.722 4.553 1.00 0.35 C ATOM 0 H LEU A 161 -11.660 1.733 9.306 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.886 1.521 7.389 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.978 1.152 7.294 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.846 -0.219 6.634 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.735 2.496 5.743 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.972 2.605 4.041 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.304 2.721 5.686 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.171 1.197 4.778 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -13.024 1.266 3.620 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.291 -0.177 4.360 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.845 0.442 4.967 1.00 0.35 H new ATOM 2598 N LYS A 162 -14.138 -1.064 7.562 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.774 -2.317 7.943 1.00 0.42 C ATOM 2600 C LYS A 162 -14.213 -3.486 7.151 1.00 0.36 C ATOM 2601 O LYS A 162 -13.699 -3.312 6.048 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.275 -2.199 7.700 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.609 -1.672 6.314 1.00 0.86 C ATOM 2604 CD LYS A 162 -17.478 -0.426 6.380 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.884 0.641 7.288 1.00 0.77 C ATOM 2606 NZ LYS A 162 -17.904 1.631 7.718 1.00 1.46 N ATOM 0 H LYS A 162 -14.220 -0.844 6.569 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.575 -2.506 8.998 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.738 -3.177 7.833 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.709 -1.537 8.449 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -15.687 -1.445 5.779 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.125 -2.446 5.745 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -17.603 -0.019 5.377 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -18.471 -0.696 6.740 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -16.445 0.167 8.166 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -16.077 1.155 6.765 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.460 2.341 8.335 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.305 2.101 6.882 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -18.662 1.145 8.239 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.327 -4.675 7.742 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.877 -5.938 7.138 1.00 0.41 C ATOM 2622 C ASP A 163 -14.452 -6.142 5.746 1.00 0.39 C ATOM 2623 O ASP A 163 -13.876 -6.857 4.926 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.303 -7.121 8.009 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.852 -6.980 9.440 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -14.461 -6.173 10.176 1.00 1.81 O ATOM 2627 OD2 ASP A 163 -12.873 -7.645 9.833 1.00 0.91 O ATOM 0 H ASP A 163 -14.740 -4.794 8.667 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.791 -5.883 7.065 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -15.389 -7.215 7.982 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -13.893 -8.041 7.592 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.585 -5.513 5.481 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.242 -5.649 4.184 1.00 0.43 C ATOM 2634 C ASN A 164 -15.527 -4.830 3.120 1.00 0.38 C ATOM 2635 O ASN A 164 -15.948 -4.784 1.968 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.716 -5.256 4.274 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.537 -6.324 4.969 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.237 -7.516 4.871 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.569 -5.912 5.683 1.00 1.68 N ATOM 0 H ASN A 164 -16.070 -4.905 6.141 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.189 -6.698 3.892 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.810 -4.315 4.815 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -18.110 -5.088 3.272 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.150 -6.589 6.178 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.785 -4.917 5.740 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.447 -4.180 3.525 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.545 -3.523 2.594 1.00 0.31 C ATOM 2648 C ASN A 165 -12.115 -3.952 2.892 1.00 0.26 C ATOM 2649 O ASN A 165 -11.163 -3.248 2.586 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.668 -1.998 2.671 1.00 0.35 C ATOM 2651 CG ASN A 165 -15.031 -1.500 2.241 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -15.944 -1.371 3.056 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -15.178 -1.211 0.958 1.00 0.61 N ATOM 0 H ASN A 165 -14.173 -4.094 4.504 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.817 -3.822 1.582 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.473 -1.673 3.693 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.904 -1.544 2.040 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -16.074 -0.867 0.612 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.395 -1.332 0.315 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.975 -5.114 3.513 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.664 -5.654 3.838 1.00 0.22 C ATOM 2662 C ILE A 166 -10.548 -7.075 3.303 1.00 0.24 C ATOM 2663 O ILE A 166 -11.289 -7.961 3.723 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.423 -5.671 5.373 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.735 -4.306 5.985 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.993 -6.090 5.699 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.635 -4.277 7.493 1.00 0.26 C ATOM 0 H ILE A 166 -12.756 -5.702 3.803 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.914 -5.013 3.375 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.099 -6.407 5.810 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.049 -3.567 5.570 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.741 -4.008 5.691 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.852 -6.093 6.780 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.808 -7.090 5.306 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.295 -5.387 5.244 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.870 -3.276 7.854 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.340 -4.991 7.918 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.622 -4.543 7.796 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.640 -7.289 2.364 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.435 -8.615 1.802 1.00 0.26 C ATOM 2681 C VAL A 167 -8.102 -9.169 2.293 1.00 0.26 C ATOM 2682 O VAL A 167 -7.284 -8.445 2.862 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.496 -8.632 0.240 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.188 -7.392 -0.303 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -8.117 -8.786 -0.398 1.00 0.72 C ATOM 0 H VAL A 167 -9.035 -6.565 1.976 1.00 0.25 H new ATOM 0 HA VAL A 167 -10.253 -9.248 2.145 1.00 0.26 H new ATOM 0 HB VAL A 167 -10.084 -9.509 -0.031 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.213 -7.437 -1.392 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.207 -7.346 0.082 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -9.641 -6.503 0.011 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.217 -8.792 -1.483 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -7.482 -7.953 -0.097 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.667 -9.723 -0.070 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.883 -10.441 2.067 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.677 -11.087 2.530 1.00 0.28 C ATOM 2697 C PHE A 168 -5.839 -11.515 1.340 1.00 0.30 C ATOM 2698 O PHE A 168 -6.373 -11.917 0.307 1.00 0.42 O ATOM 2699 CB PHE A 168 -7.013 -12.276 3.434 1.00 0.33 C ATOM 2700 CG PHE A 168 -7.640 -11.868 4.743 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.907 -11.159 5.687 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.956 -12.197 5.033 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -7.476 -10.781 6.890 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -9.530 -11.822 6.235 1.00 0.45 C ATOM 2705 CZ PHE A 168 -8.790 -11.115 7.164 1.00 0.40 C ATOM 0 H PHE A 168 -8.526 -11.052 1.564 1.00 0.26 H new ATOM 0 HA PHE A 168 -6.097 -10.381 3.124 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -7.692 -12.945 2.906 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -6.102 -12.840 3.635 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.879 -10.900 5.479 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -9.539 -12.752 4.313 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.896 -10.227 7.613 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -10.557 -12.082 6.447 1.00 0.45 H new ATOM 0 HZ PHE A 168 -9.237 -10.824 8.103 1.00 0.40 H new ATOM 2715 N SER A 169 -4.529 -11.387 1.494 1.00 0.48 N ATOM 2716 CA SER A 169 -3.577 -11.631 0.423 1.00 0.63 C ATOM 2717 C SER A 169 -3.775 -12.986 -0.243 1.00 0.50 C ATOM 2718 O SER A 169 -3.471 -14.029 0.335 1.00 0.66 O ATOM 2719 CB SER A 169 -2.169 -11.529 0.989 1.00 1.01 C ATOM 2720 OG SER A 169 -2.076 -12.215 2.228 1.00 1.75 O ATOM 0 H SER A 169 -4.095 -11.108 2.374 1.00 0.48 H new ATOM 0 HA SER A 169 -3.739 -10.878 -0.349 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.455 -11.949 0.280 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.902 -10.481 1.127 1.00 1.01 H new ATOM 0 HG SER A 169 -2.491 -13.099 2.145 1.00 1.75 H new ATOM 2726 N VAL A 170 -4.290 -12.954 -1.460 1.00 0.46 N ATOM 2727 CA VAL A 170 -4.420 -14.150 -2.267 1.00 0.41 C ATOM 2728 C VAL A 170 -3.066 -14.537 -2.839 1.00 0.41 C ATOM 2729 O VAL A 170 -2.388 -13.707 -3.446 1.00 0.43 O ATOM 2730 CB VAL A 170 -5.410 -13.932 -3.430 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.491 -15.163 -4.318 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.782 -13.566 -2.896 1.00 0.57 C ATOM 0 H VAL A 170 -4.627 -12.104 -1.912 1.00 0.46 H new ATOM 0 HA VAL A 170 -4.799 -14.946 -1.626 1.00 0.41 H new ATOM 0 HB VAL A 170 -5.042 -13.105 -4.038 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -6.196 -14.981 -5.129 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.507 -15.377 -4.734 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.829 -16.015 -3.728 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.468 -13.416 -3.729 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -7.152 -14.371 -2.262 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.712 -12.648 -2.313 1.00 0.57 H new ATOM 2742 N PRO A 171 -2.637 -15.787 -2.606 1.00 0.47 N ATOM 2743 CA PRO A 171 -1.441 -16.339 -3.241 1.00 0.54 C ATOM 2744 C PRO A 171 -1.585 -16.338 -4.756 1.00 0.54 C ATOM 2745 O PRO A 171 -2.241 -17.211 -5.330 1.00 0.62 O ATOM 2746 CB PRO A 171 -1.366 -17.773 -2.707 1.00 0.66 C ATOM 2747 CG PRO A 171 -2.196 -17.769 -1.467 1.00 0.83 C ATOM 2748 CD PRO A 171 -3.276 -16.751 -1.695 1.00 0.57 C ATOM 0 HA PRO A 171 -0.544 -15.760 -3.020 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -1.750 -18.486 -3.436 1.00 0.66 H new ATOM 0 HB3 PRO A 171 -0.337 -18.060 -2.492 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -2.622 -18.755 -1.280 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -1.594 -17.511 -0.596 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -4.165 -17.199 -2.140 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -3.589 -16.279 -0.763 1.00 0.57 H new ATOM 2756 N THR A 172 -0.990 -15.339 -5.387 1.00 0.65 N ATOM 2757 CA THR A 172 -1.117 -15.144 -6.818 1.00 0.78 C ATOM 2758 C THR A 172 -0.439 -16.263 -7.591 1.00 0.73 C ATOM 2759 O THR A 172 0.719 -16.606 -7.329 1.00 0.72 O ATOM 2760 CB THR A 172 -0.477 -13.818 -7.238 1.00 1.07 C ATOM 2761 OG1 THR A 172 -0.708 -12.830 -6.224 1.00 1.78 O ATOM 2762 CG2 THR A 172 -1.038 -13.336 -8.570 1.00 0.81 C ATOM 0 H THR A 172 -0.407 -14.643 -4.921 1.00 0.65 H new ATOM 0 HA THR A 172 -2.183 -15.139 -7.047 1.00 0.78 H new ATOM 0 HB THR A 172 0.595 -13.975 -7.359 1.00 1.07 H new ATOM 0 HG1 THR A 172 -0.146 -12.046 -6.397 1.00 1.78 H new ATOM 0 HG21 THR A 172 -0.566 -12.393 -8.844 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.836 -14.080 -9.341 1.00 0.81 H new ATOM 0 HG23 THR A 172 -2.114 -13.190 -8.480 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.164 -16.826 -8.538 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.607 -17.803 -9.434 1.00 0.80 C ATOM 2772 C ASP A 173 -0.147 -17.098 -10.692 1.00 0.77 C ATOM 2773 O ASP A 173 -0.852 -17.026 -11.700 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.637 -18.886 -9.741 1.00 0.99 C ATOM 2775 CG ASP A 173 -2.944 -18.353 -10.301 1.00 1.34 C ATOM 2776 OD1 ASP A 173 -3.715 -17.731 -9.541 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -3.217 -18.575 -11.501 1.00 1.55 O ATOM 0 H ASP A 173 -2.149 -16.616 -8.702 1.00 0.75 H new ATOM 0 HA ASP A 173 0.249 -18.295 -8.972 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.208 -19.590 -10.454 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -1.845 -19.444 -8.828 1.00 0.99 H new ATOM 2782 N GLN A 174 1.065 -16.593 -10.608 1.00 0.78 N ATOM 2783 CA GLN A 174 1.643 -15.748 -11.633 1.00 0.94 C ATOM 2784 C GLN A 174 2.943 -15.178 -11.084 1.00 0.89 C ATOM 2785 O GLN A 174 3.240 -15.363 -9.900 1.00 1.21 O ATOM 2786 CB GLN A 174 0.656 -14.624 -12.025 1.00 1.17 C ATOM 2787 CG GLN A 174 0.953 -13.962 -13.359 1.00 1.69 C ATOM 2788 CD GLN A 174 1.246 -14.967 -14.454 1.00 2.98 C ATOM 2789 OE1 GLN A 174 2.397 -15.337 -14.679 1.00 3.60 O ATOM 2790 NE2 GLN A 174 0.207 -15.425 -15.134 1.00 3.76 N ATOM 0 H GLN A 174 1.686 -16.759 -9.816 1.00 0.78 H new ATOM 0 HA GLN A 174 1.846 -16.323 -12.537 1.00 0.94 H new ATOM 0 HB2 GLN A 174 -0.352 -15.037 -12.055 1.00 1.17 H new ATOM 0 HB3 GLN A 174 0.665 -13.862 -11.246 1.00 1.17 H new ATOM 0 HG2 GLN A 174 0.102 -13.347 -13.653 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.806 -13.293 -13.247 1.00 1.69 H new ATOM 0 HE21 GLN A 174 -0.732 -15.092 -14.916 1.00 3.76 H new ATOM 0 HE22 GLN A 174 0.345 -16.111 -15.876 1.00 3.76 H new ATOM 2799 N CYS A 175 3.727 -14.524 -11.921 1.00 0.79 N ATOM 2800 CA CYS A 175 4.974 -13.929 -11.465 1.00 0.85 C ATOM 2801 C CYS A 175 4.708 -12.913 -10.362 1.00 1.02 C ATOM 2802 O CYS A 175 3.683 -12.232 -10.367 1.00 2.06 O ATOM 2803 CB CYS A 175 5.702 -13.253 -12.621 1.00 0.90 C ATOM 2804 SG CYS A 175 5.836 -14.284 -14.114 1.00 1.07 S ATOM 0 H CYS A 175 3.527 -14.391 -12.912 1.00 0.79 H new ATOM 0 HA CYS A 175 5.604 -14.726 -11.070 1.00 0.85 H new ATOM 0 HB2 CYS A 175 5.181 -12.330 -12.875 1.00 0.90 H new ATOM 0 HB3 CYS A 175 6.703 -12.974 -12.293 1.00 0.90 H new ATOM 2809 N ILE A 176 5.632 -12.847 -9.416 1.00 0.60 N ATOM 2810 CA ILE A 176 5.577 -11.908 -8.300 1.00 0.56 C ATOM 2811 C ILE A 176 6.713 -12.232 -7.345 1.00 0.80 C ATOM 2812 O ILE A 176 7.332 -11.343 -6.760 1.00 1.52 O ATOM 2813 CB ILE A 176 4.241 -11.954 -7.506 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.346 -11.041 -6.275 1.00 0.46 C ATOM 2815 CG2 ILE A 176 3.883 -13.380 -7.099 1.00 0.81 C ATOM 2816 CD1 ILE A 176 3.220 -11.197 -5.271 1.00 0.65 C ATOM 0 H ILE A 176 6.454 -13.451 -9.399 1.00 0.60 H new ATOM 0 HA ILE A 176 5.660 -10.907 -8.723 1.00 0.56 H new ATOM 0 HB ILE A 176 3.439 -11.594 -8.151 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.293 -11.240 -5.772 1.00 0.46 H new ATOM 0 HG13 ILE A 176 4.374 -10.004 -6.610 1.00 0.46 H new ATOM 0 HG21 ILE A 176 2.944 -13.376 -6.546 1.00 0.81 H new ATOM 0 HG22 ILE A 176 3.776 -13.997 -7.991 1.00 0.81 H new ATOM 0 HG23 ILE A 176 4.673 -13.788 -6.469 1.00 0.81 H new ATOM 0 HD11 ILE A 176 3.379 -10.513 -4.437 1.00 0.65 H new ATOM 0 HD12 ILE A 176 2.269 -10.968 -5.752 1.00 0.65 H new ATOM 0 HD13 ILE A 176 3.202 -12.222 -4.901 1.00 0.65 H new