USER MOD reduce.3.24.130724 H: found=0, std=0, add=1328, rem=0, adj=48 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 120:sc= 0.382 USER MOD Set 1.2: A 138 TYR OH : rot -169:sc= 0.245 USER MOD Set 2.1: A 105 SER OG : rot -103:sc= 1.07 USER MOD Set 2.2: A 126 THR OG1 : rot 145:sc= 1.2 USER MOD Set 3.1: A 125 LYS NZ :NH3+ -177:sc= 1.25 (180deg=-0.00384) USER MOD Set 3.2: A 127 SER OG : rot -112:sc= 0.794 USER MOD Set 4.1: A 96 ASN : amide:sc= -2! X(o=-2.1!,f=-2.3) USER MOD Set 4.2: A 98 HIS : no HD1:sc= -0.125 X(o=-2.1,f=-1.9) USER MOD Single : A 15 SER OG : rot 78:sc= 0.177 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.237 F(o=-2.1,f=-0.24) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 28 GLN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0161 K(o=-0.016,f=-0.54) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.853 F(o=-5.5!,f=-0.85) USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 1.08 (180deg=-0.213) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 47 SER OG : rot 50:sc= 0.628 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -148:sc= -3! (180deg=-4.32!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 146:sc= -1.94! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.05 K(o=-1,f=-5!) USER MOD Single : A 62 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.8!) USER MOD Single : A 63 SER OG : rot 37:sc= 0.328 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0629 USER MOD Single : A 65 ASN :FLIP amide:sc= -2.09! C(o=-3.6!,f=-2.1!) 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 86 SER OG : rot -70:sc= -0.761! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.02! C(o=-2!,f=-12!) USER MOD Single : A 93 THR OG1 : rot -34:sc= -1.11! USER MOD Single : A 99 SER OG : rot -83:sc= 1.18 USER MOD Single : A 100 TYR OH : rot 30:sc= 0.707 USER MOD Single : A 102 GLN : amide:sc= -2.07 K(o=-2.1,f=-4.4!) USER MOD Single : A 104 GLN : amide:sc= -2.65! C(o=-2.6!,f=-8!) USER MOD Single : A 106 TYR OH : rot 120:sc= -0.897 USER MOD Single : A 109 GLN :FLIP amide:sc= -3.87! C(o=-5.8!,f=-3.9!) USER MOD Single : A 113 THR OG1 : rot 170:sc= 1.54 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.36) USER MOD Single : A 120 MET CE :methyl -156:sc= -1.21 (180deg=-2.04) USER MOD Single : A 124 GLN : amide:sc= 0.138 X(o=0.14,f=-0.12) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -171:sc= -0.0134 (180deg=-0.121) USER MOD Single : A 131 GLN : amide:sc= -0.0696 K(o=-0.07,f=-1.6) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -135:sc= -0.946 (180deg=-2.4!) USER MOD Single : A 136 THR OG1 : rot 27:sc= 0.255 USER MOD Single : A 141 THR OG1 : rot 41:sc= 0.039 USER MOD Single : A 142 LYS NZ :NH3+ 163:sc= -0.058 (180deg=-0.333) USER MOD Single : A 145 SER OG : rot 180:sc= 0.026 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 76:sc= 0.47 USER MOD Single : A 157 LYS NZ :NH3+ 149:sc= -0.353 (180deg=-3.93!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -147:sc= -3.06! (180deg=-5.26!) USER MOD Single : A 164 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 165 ASN : amide:sc= -1.4 X(o=-1.4,f=-0.93) USER MOD Single : A 169 SER OG : rot -53:sc= 0.0873 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.093 USER MOD Single : A 174 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 -17.033 7.820 -0.503 1.00 0.58 N ATOM 89 CA LEU A 7 -15.839 7.491 0.248 1.00 0.51 C ATOM 90 C LEU A 7 -16.192 7.017 1.654 1.00 0.45 C ATOM 91 O LEU A 7 -17.122 7.520 2.290 1.00 0.49 O ATOM 92 CB LEU A 7 -14.880 8.694 0.287 1.00 0.52 C ATOM 93 CG LEU A 7 -15.477 10.018 0.776 1.00 0.80 C ATOM 94 CD1 LEU A 7 -15.414 10.113 2.291 1.00 1.73 C ATOM 95 CD2 LEU A 7 -14.758 11.193 0.132 1.00 1.08 C ATOM 0 HA LEU A 7 -15.330 6.670 -0.256 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.037 8.440 0.930 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.481 8.847 -0.716 1.00 0.52 H new ATOM 0 HG LEU A 7 -16.526 10.051 0.481 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -15.843 11.061 2.614 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -15.978 9.290 2.731 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -14.375 10.056 2.616 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.193 12.126 0.489 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -13.701 11.161 0.396 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -14.864 11.135 -0.951 1.00 1.08 H new ATOM 107 N ILE A 8 -15.471 6.010 2.103 1.00 0.43 N ATOM 108 CA ILE A 8 -15.542 5.564 3.471 1.00 0.40 C ATOM 109 C ILE A 8 -14.600 6.424 4.268 1.00 0.40 C ATOM 110 O ILE A 8 -13.526 6.758 3.775 1.00 0.62 O ATOM 111 CB ILE A 8 -15.147 4.067 3.594 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.211 3.201 2.912 1.00 0.48 C ATOM 113 CG2 ILE A 8 -14.969 3.631 5.054 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.847 1.735 2.847 1.00 0.47 C ATOM 0 H ILE A 8 -14.819 5.480 1.525 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.562 5.654 3.844 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.184 3.935 3.100 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -17.154 3.309 3.448 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.375 3.571 1.900 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -14.693 2.577 5.088 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -14.183 4.227 5.518 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -15.904 3.779 5.594 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.646 1.183 2.352 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -14.921 1.615 2.285 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.712 1.349 3.857 1.00 0.47 H new ATOM 126 N PRO A 9 -15.024 6.775 5.490 1.00 0.31 N ATOM 127 CA PRO A 9 -14.321 7.612 6.444 1.00 0.28 C ATOM 128 C PRO A 9 -12.880 7.926 6.072 1.00 0.32 C ATOM 129 O PRO A 9 -11.961 7.281 6.558 1.00 0.38 O ATOM 130 CB PRO A 9 -14.404 6.682 7.642 1.00 0.31 C ATOM 131 CG PRO A 9 -15.783 6.088 7.547 1.00 0.35 C ATOM 132 CD PRO A 9 -16.241 6.283 6.119 1.00 0.35 C ATOM 0 HA PRO A 9 -14.737 8.613 6.559 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.634 5.911 7.603 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.266 7.223 8.578 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -15.768 5.030 7.808 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.464 6.578 8.243 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.589 5.353 5.669 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.060 6.999 6.045 1.00 0.35 H new ATOM 140 N ALA A 10 -12.710 8.931 5.214 1.00 0.36 N ATOM 141 CA ALA A 10 -11.416 9.239 4.621 1.00 0.44 C ATOM 142 C ALA A 10 -10.542 10.058 5.566 1.00 0.42 C ATOM 143 O ALA A 10 -10.752 11.263 5.746 1.00 0.53 O ATOM 144 CB ALA A 10 -11.609 9.972 3.297 1.00 0.62 C ATOM 0 H ALA A 10 -13.463 9.550 4.914 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.899 8.297 4.435 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.636 10.198 2.861 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.176 9.342 2.612 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.153 10.900 3.471 1.00 0.62 H new ATOM 150 N PRO A 11 -9.547 9.406 6.181 1.00 0.35 N ATOM 151 CA PRO A 11 -8.617 10.018 7.107 1.00 0.35 C ATOM 152 C PRO A 11 -7.383 10.543 6.387 1.00 0.39 C ATOM 153 O PRO A 11 -6.818 9.860 5.538 1.00 0.45 O ATOM 154 CB PRO A 11 -8.237 8.845 8.039 1.00 0.35 C ATOM 155 CG PRO A 11 -8.842 7.619 7.428 1.00 0.41 C ATOM 156 CD PRO A 11 -9.232 7.993 6.029 1.00 0.38 C ATOM 0 HA PRO A 11 -9.042 10.875 7.629 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.155 8.747 8.121 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.619 9.008 9.047 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.130 6.794 7.425 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.710 7.289 7.998 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.421 7.828 5.320 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.088 7.418 5.675 1.00 0.38 H new ATOM 164 N PRO A 12 -6.953 11.770 6.698 1.00 0.42 N ATOM 165 CA PRO A 12 -5.723 12.313 6.145 1.00 0.46 C ATOM 166 C PRO A 12 -4.514 11.554 6.660 1.00 0.44 C ATOM 167 O PRO A 12 -4.633 10.785 7.620 1.00 0.41 O ATOM 168 CB PRO A 12 -5.676 13.770 6.625 1.00 0.50 C ATOM 169 CG PRO A 12 -7.015 14.044 7.237 1.00 0.55 C ATOM 170 CD PRO A 12 -7.624 12.714 7.599 1.00 0.48 C ATOM 0 HA PRO A 12 -5.703 12.233 5.058 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -4.877 13.916 7.352 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.480 14.449 5.795 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -6.912 14.673 8.121 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -7.655 14.582 6.537 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.448 12.464 8.645 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.704 12.713 7.449 1.00 0.48 H new ATOM 178 N LEU A 13 -3.371 11.765 6.032 1.00 0.50 N ATOM 179 CA LEU A 13 -2.107 11.162 6.461 1.00 0.51 C ATOM 180 C LEU A 13 -1.966 11.301 7.965 1.00 0.49 C ATOM 181 O LEU A 13 -1.571 10.384 8.672 1.00 0.48 O ATOM 182 CB LEU A 13 -0.969 11.931 5.779 1.00 0.61 C ATOM 183 CG LEU A 13 0.409 11.257 5.732 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.947 10.985 7.128 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.350 9.982 4.904 1.00 0.74 C ATOM 0 H LEU A 13 -3.286 12.360 5.208 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.078 10.106 6.194 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.274 12.146 4.755 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -0.858 12.889 6.287 1.00 0.61 H new ATOM 0 HG LEU A 13 1.103 11.945 5.250 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.924 10.507 7.055 1.00 0.50 H new ATOM 0 HD12 LEU A 13 1.043 11.925 7.671 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.260 10.327 7.661 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.336 9.517 4.881 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.367 9.292 5.349 1.00 0.74 H new ATOM 0 HD23 LEU A 13 0.039 10.222 3.887 1.00 0.74 H new ATOM 197 N ILE A 14 -2.369 12.450 8.434 1.00 0.52 N ATOM 198 CA ILE A 14 -2.156 12.861 9.799 1.00 0.56 C ATOM 199 C ILE A 14 -2.933 11.993 10.800 1.00 0.54 C ATOM 200 O ILE A 14 -2.809 12.169 12.010 1.00 0.61 O ATOM 201 CB ILE A 14 -2.578 14.331 9.916 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.108 14.445 9.987 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.050 15.086 8.699 1.00 0.65 C ATOM 204 CD1 ILE A 14 -4.631 15.835 9.704 1.00 1.05 C ATOM 0 H ILE A 14 -2.864 13.141 7.870 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.102 12.738 10.048 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.164 14.761 10.828 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.548 13.749 9.273 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.440 14.137 10.978 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.342 16.134 8.766 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -0.963 15.013 8.669 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.468 14.651 7.791 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -5.719 15.835 9.773 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.221 16.534 10.433 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.331 16.140 8.701 1.00 1.05 H new ATOM 216 N SER A 15 -3.726 11.058 10.287 1.00 0.46 N ATOM 217 CA SER A 15 -4.480 10.140 11.129 1.00 0.46 C ATOM 218 C SER A 15 -3.652 8.897 11.434 1.00 0.46 C ATOM 219 O SER A 15 -3.893 8.202 12.421 1.00 0.51 O ATOM 220 CB SER A 15 -5.775 9.730 10.431 1.00 0.42 C ATOM 221 OG SER A 15 -6.361 10.842 9.775 1.00 0.92 O ATOM 0 H SER A 15 -3.863 10.917 9.286 1.00 0.46 H new ATOM 0 HA SER A 15 -4.718 10.647 12.064 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.571 8.940 9.708 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.474 9.321 11.160 1.00 0.42 H new ATOM 0 HG SER A 15 -5.882 11.018 8.938 1.00 0.92 H new ATOM 227 N VAL A 16 -2.667 8.629 10.591 1.00 0.43 N ATOM 228 CA VAL A 16 -1.885 7.412 10.707 1.00 0.43 C ATOM 229 C VAL A 16 -0.515 7.699 11.337 1.00 0.45 C ATOM 230 O VAL A 16 0.161 8.663 10.970 1.00 0.50 O ATOM 231 CB VAL A 16 -1.734 6.721 9.324 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.990 7.593 8.313 1.00 0.54 C ATOM 233 CG2 VAL A 16 -1.048 5.370 9.473 1.00 0.45 C ATOM 0 H VAL A 16 -2.392 9.238 9.821 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.417 6.727 11.367 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.740 6.568 8.933 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.912 7.063 7.364 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.536 8.525 8.165 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.009 7.814 8.689 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.951 4.901 8.494 1.00 0.45 H new ATOM 0 HG22 VAL A 16 -0.058 5.510 9.908 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.643 4.730 10.125 1.00 0.45 H new ATOM 243 N PRO A 17 -0.117 6.894 12.339 1.00 0.46 N ATOM 244 CA PRO A 17 1.173 7.048 13.016 1.00 0.50 C ATOM 245 C PRO A 17 2.342 6.629 12.136 1.00 0.43 C ATOM 246 O PRO A 17 2.285 5.612 11.454 1.00 0.48 O ATOM 247 CB PRO A 17 1.063 6.128 14.230 1.00 0.59 C ATOM 248 CG PRO A 17 0.040 5.109 13.857 1.00 0.53 C ATOM 249 CD PRO A 17 -0.902 5.778 12.891 1.00 0.50 C ATOM 0 HA PRO A 17 1.368 8.088 13.276 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.021 5.660 14.457 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.761 6.683 15.118 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.510 4.238 13.400 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.495 4.757 14.739 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.224 5.091 12.108 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.802 6.133 13.393 1.00 0.50 H new ATOM 257 N LEU A 18 3.407 7.409 12.186 1.00 0.42 N ATOM 258 CA LEU A 18 4.548 7.217 11.298 1.00 0.38 C ATOM 259 C LEU A 18 5.647 6.405 11.973 1.00 0.33 C ATOM 260 O LEU A 18 5.834 6.490 13.188 1.00 0.35 O ATOM 261 CB LEU A 18 5.103 8.578 10.870 1.00 0.46 C ATOM 262 CG LEU A 18 6.291 8.525 9.907 1.00 0.63 C ATOM 263 CD1 LEU A 18 5.914 7.783 8.636 1.00 1.15 C ATOM 264 CD2 LEU A 18 6.771 9.931 9.580 1.00 1.07 C ATOM 0 H LEU A 18 3.509 8.188 12.836 1.00 0.42 H new ATOM 0 HA LEU A 18 4.206 6.664 10.423 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.301 9.148 10.401 1.00 0.46 H new ATOM 0 HB3 LEU A 18 5.404 9.126 11.763 1.00 0.46 H new ATOM 0 HG LEU A 18 7.105 7.985 10.392 1.00 0.63 H new ATOM 0 HD11 LEU A 18 6.771 7.755 7.963 1.00 1.15 H new ATOM 0 HD12 LEU A 18 5.615 6.765 8.884 1.00 1.15 H new ATOM 0 HD13 LEU A 18 5.086 8.296 8.147 1.00 1.15 H new ATOM 0 HD21 LEU A 18 7.616 9.877 8.894 1.00 1.07 H new ATOM 0 HD22 LEU A 18 5.961 10.493 9.114 1.00 1.07 H new ATOM 0 HD23 LEU A 18 7.080 10.433 10.497 1.00 1.07 H new ATOM 276 N GLN A 19 6.355 5.610 11.175 1.00 0.36 N ATOM 277 CA GLN A 19 7.542 4.900 11.636 1.00 0.47 C ATOM 278 C GLN A 19 8.662 5.903 11.922 1.00 0.62 C ATOM 279 O GLN A 19 9.198 6.528 11.003 1.00 0.68 O ATOM 280 CB GLN A 19 7.980 3.848 10.593 1.00 0.49 C ATOM 281 CG GLN A 19 9.330 3.206 10.871 1.00 1.04 C ATOM 282 CD GLN A 19 9.365 2.380 12.145 1.00 2.08 C ATOM 283 OE1 GLN A 19 8.216 1.871 12.566 1.00 2.68 O flip ATOM 284 NE2 GLN A 19 10.419 2.215 12.757 1.00 2.93 N flip ATOM 0 H GLN A 19 6.123 5.441 10.196 1.00 0.36 H new ATOM 0 HA GLN A 19 7.311 4.370 12.560 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.223 3.065 10.546 1.00 0.49 H new ATOM 0 HB3 GLN A 19 8.012 4.320 9.611 1.00 0.49 H new ATOM 0 HG2 GLN A 19 9.599 2.569 10.029 1.00 1.04 H new ATOM 0 HG3 GLN A 19 10.087 3.987 10.935 1.00 1.04 H new ATOM 0 HE21 GLN A 19 11.284 2.622 12.402 1.00 2.93 H new ATOM 0 HE22 GLN A 19 10.428 1.671 13.620 1.00 2.93 H new ATOM 293 N PRO A 20 9.008 6.084 13.208 1.00 0.92 N ATOM 294 CA PRO A 20 9.991 7.075 13.642 1.00 1.20 C ATOM 295 C PRO A 20 11.419 6.635 13.347 1.00 1.19 C ATOM 296 O PRO A 20 11.691 5.440 13.209 1.00 1.36 O ATOM 297 CB PRO A 20 9.770 7.180 15.161 1.00 1.58 C ATOM 298 CG PRO A 20 8.587 6.318 15.470 1.00 1.65 C ATOM 299 CD PRO A 20 8.482 5.327 14.348 1.00 1.15 C ATOM 0 HA PRO A 20 9.863 8.022 13.118 1.00 1.20 H new ATOM 0 HB2 PRO A 20 10.651 6.843 15.707 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.587 8.213 15.458 1.00 1.58 H new ATOM 0 HG2 PRO A 20 8.715 5.810 16.426 1.00 1.65 H new ATOM 0 HG3 PRO A 20 7.679 6.917 15.546 1.00 1.65 H new ATOM 0 HD2 PRO A 20 9.067 4.429 14.544 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.453 5.008 14.183 1.00 1.15 H new ATOM 307 N GLY A 21 12.324 7.604 13.253 1.00 1.32 N ATOM 308 CA GLY A 21 13.708 7.308 12.939 1.00 1.38 C ATOM 309 C GLY A 21 13.853 6.699 11.561 1.00 1.06 C ATOM 310 O GLY A 21 14.754 5.893 11.317 1.00 1.29 O ATOM 0 H GLY A 21 12.121 8.594 13.390 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.298 8.223 12.996 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.111 6.622 13.684 1.00 1.38 H new ATOM 314 N PHE A 22 12.962 7.092 10.661 1.00 0.69 N ATOM 315 CA PHE A 22 12.904 6.518 9.327 1.00 0.51 C ATOM 316 C PHE A 22 14.176 6.809 8.535 1.00 0.51 C ATOM 317 O PHE A 22 14.726 7.910 8.594 1.00 0.68 O ATOM 318 CB PHE A 22 11.680 7.053 8.573 1.00 0.71 C ATOM 319 CG PHE A 22 11.550 6.505 7.183 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.914 5.295 6.956 1.00 0.91 C ATOM 321 CD2 PHE A 22 12.075 7.198 6.103 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.808 4.789 5.680 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.970 6.696 4.825 1.00 2.66 C ATOM 324 CZ PHE A 22 11.337 5.489 4.612 1.00 2.32 C ATOM 0 H PHE A 22 12.263 7.814 10.835 1.00 0.69 H new ATOM 0 HA PHE A 22 12.817 5.437 9.434 1.00 0.51 H new ATOM 0 HB2 PHE A 22 10.780 6.809 9.137 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.740 8.140 8.523 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.498 4.744 7.787 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.572 8.143 6.266 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.311 3.845 5.513 1.00 1.43 H new ATOM 0 HE2 PHE A 22 12.382 7.246 3.992 1.00 2.66 H new ATOM 0 HZ PHE A 22 11.255 5.091 3.611 1.00 2.32 H new ATOM 334 N TRP A 23 14.633 5.808 7.800 1.00 0.48 N ATOM 335 CA TRP A 23 15.786 5.946 6.930 1.00 0.57 C ATOM 336 C TRP A 23 15.467 5.345 5.566 1.00 0.50 C ATOM 337 O TRP A 23 14.817 4.304 5.466 1.00 0.51 O ATOM 338 CB TRP A 23 17.004 5.259 7.557 1.00 0.78 C ATOM 339 CG TRP A 23 18.251 5.376 6.733 1.00 1.35 C ATOM 340 CD1 TRP A 23 19.058 4.355 6.324 1.00 2.36 C ATOM 341 CD2 TRP A 23 18.830 6.580 6.211 1.00 2.01 C ATOM 342 NE1 TRP A 23 20.103 4.849 5.582 1.00 3.05 N ATOM 343 CE2 TRP A 23 19.985 6.210 5.497 1.00 2.82 C ATOM 344 CE3 TRP A 23 18.483 7.933 6.275 1.00 2.70 C ATOM 345 CZ2 TRP A 23 20.795 7.144 4.854 1.00 3.70 C ATOM 346 CZ3 TRP A 23 19.289 8.858 5.637 1.00 3.72 C ATOM 347 CH2 TRP A 23 20.431 8.459 4.935 1.00 4.03 C ATOM 0 H TRP A 23 14.214 4.878 7.791 1.00 0.48 H new ATOM 0 HA TRP A 23 16.022 7.002 6.802 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.187 5.691 8.541 1.00 0.78 H new ATOM 0 HB3 TRP A 23 16.777 4.204 7.709 1.00 0.78 H new ATOM 0 HD1 TRP A 23 18.899 3.311 6.550 1.00 2.36 H new ATOM 0 HE1 TRP A 23 20.847 4.292 5.162 1.00 3.05 H new ATOM 0 HE3 TRP A 23 17.602 8.250 6.813 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 21.678 6.840 4.312 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 19.032 9.906 5.682 1.00 3.72 H new ATOM 0 HH2 TRP A 23 21.039 9.206 4.446 1.00 4.03 H new ATOM 358 N THR A 24 15.933 6.034 4.528 1.00 0.50 N ATOM 359 CA THR A 24 15.663 5.689 3.136 1.00 0.47 C ATOM 360 C THR A 24 16.036 4.250 2.796 1.00 0.46 C ATOM 361 O THR A 24 15.338 3.588 2.034 1.00 0.48 O ATOM 362 CB THR A 24 16.447 6.634 2.220 1.00 0.50 C ATOM 363 OG1 THR A 24 17.555 7.190 2.936 1.00 0.58 O ATOM 364 CG2 THR A 24 15.556 7.742 1.699 1.00 0.53 C ATOM 0 H THR A 24 16.519 6.862 4.633 1.00 0.50 H new ATOM 0 HA THR A 24 14.589 5.792 2.984 1.00 0.47 H new ATOM 0 HB THR A 24 16.816 6.065 1.367 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.055 7.793 2.347 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.135 8.400 1.051 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.731 7.310 1.133 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.160 8.315 2.537 1.00 0.53 H new ATOM 372 N GLU A 25 17.143 3.782 3.355 1.00 0.53 N ATOM 373 CA GLU A 25 17.656 2.454 3.045 1.00 0.60 C ATOM 374 C GLU A 25 16.821 1.370 3.724 1.00 0.60 C ATOM 375 O GLU A 25 16.811 0.214 3.296 1.00 0.63 O ATOM 376 CB GLU A 25 19.110 2.348 3.496 1.00 0.71 C ATOM 377 CG GLU A 25 19.825 1.104 3.007 1.00 1.31 C ATOM 378 CD GLU A 25 21.228 0.994 3.564 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.115 1.734 3.089 1.00 1.94 O ATOM 380 OE2 GLU A 25 21.445 0.170 4.482 1.00 1.88 O ATOM 0 H GLU A 25 17.705 4.304 4.028 1.00 0.53 H new ATOM 0 HA GLU A 25 17.595 2.304 1.967 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.652 3.226 3.145 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.143 2.367 4.585 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.252 0.222 3.293 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.868 1.116 1.918 1.00 1.31 H new ATOM 387 N ARG A 26 16.117 1.751 4.779 1.00 0.64 N ATOM 388 CA ARG A 26 15.345 0.800 5.565 1.00 0.76 C ATOM 389 C ARG A 26 14.092 0.375 4.808 1.00 0.71 C ATOM 390 O ARG A 26 13.570 -0.719 5.013 1.00 0.87 O ATOM 391 CB ARG A 26 14.966 1.418 6.912 1.00 0.96 C ATOM 392 CG ARG A 26 14.281 0.450 7.863 1.00 1.62 C ATOM 393 CD ARG A 26 14.033 1.088 9.219 1.00 2.07 C ATOM 394 NE ARG A 26 15.274 1.555 9.836 1.00 2.61 N ATOM 395 CZ ARG A 26 15.335 2.143 11.030 1.00 3.42 C ATOM 396 NH1 ARG A 26 14.229 2.314 11.747 1.00 3.88 N ATOM 397 NH2 ARG A 26 16.502 2.543 11.510 1.00 4.18 N ATOM 0 H ARG A 26 16.064 2.714 5.111 1.00 0.64 H new ATOM 0 HA ARG A 26 15.957 -0.084 5.742 1.00 0.76 H new ATOM 0 HB2 ARG A 26 15.866 1.805 7.389 1.00 0.96 H new ATOM 0 HB3 ARG A 26 14.307 2.269 6.738 1.00 0.96 H new ATOM 0 HG2 ARG A 26 13.334 0.125 7.433 1.00 1.62 H new ATOM 0 HG3 ARG A 26 14.898 -0.440 7.985 1.00 1.62 H new ATOM 0 HD2 ARG A 26 13.346 1.926 9.106 1.00 2.07 H new ATOM 0 HD3 ARG A 26 13.549 0.366 9.877 1.00 2.07 H new ATOM 0 HE ARG A 26 16.145 1.423 9.322 1.00 2.61 H new ATOM 0 HH11 ARG A 26 13.331 1.995 11.383 1.00 3.88 H new ATOM 0 HH12 ARG A 26 14.278 2.764 12.661 1.00 3.88 H new ATOM 0 HH21 ARG A 26 17.353 2.401 10.966 1.00 4.18 H new ATOM 0 HH22 ARG A 26 16.550 2.993 12.424 1.00 4.18 H new ATOM 411 N PHE A 27 13.631 1.246 3.923 1.00 0.59 N ATOM 412 CA PHE A 27 12.433 0.985 3.144 1.00 0.61 C ATOM 413 C PHE A 27 12.826 0.547 1.729 1.00 0.51 C ATOM 414 O PHE A 27 12.159 0.872 0.749 1.00 0.72 O ATOM 415 CB PHE A 27 11.561 2.246 3.110 1.00 0.71 C ATOM 416 CG PHE A 27 10.087 1.983 3.229 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.319 1.772 2.099 1.00 1.74 C ATOM 418 CD2 PHE A 27 9.466 1.961 4.472 1.00 0.95 C ATOM 419 CE1 PHE A 27 7.962 1.540 2.200 1.00 2.21 C ATOM 420 CE2 PHE A 27 8.110 1.731 4.577 1.00 1.39 C ATOM 421 CZ PHE A 27 7.356 1.519 3.440 1.00 2.03 C ATOM 0 H PHE A 27 14.072 2.144 3.727 1.00 0.59 H new ATOM 0 HA PHE A 27 11.858 0.181 3.603 1.00 0.61 H new ATOM 0 HB2 PHE A 27 11.867 2.907 3.921 1.00 0.71 H new ATOM 0 HB3 PHE A 27 11.749 2.778 2.177 1.00 0.71 H new ATOM 0 HD1 PHE A 27 9.786 1.789 1.126 1.00 1.74 H new ATOM 0 HD2 PHE A 27 10.051 2.126 5.365 1.00 0.95 H new ATOM 0 HE1 PHE A 27 7.375 1.375 1.309 1.00 2.21 H new ATOM 0 HE2 PHE A 27 7.638 1.717 5.548 1.00 1.39 H new ATOM 0 HZ PHE A 27 6.294 1.337 3.521 1.00 2.03 H new ATOM 431 N GLN A 28 13.932 -0.185 1.639 1.00 0.40 N ATOM 432 CA GLN A 28 14.440 -0.674 0.361 1.00 0.31 C ATOM 433 C GLN A 28 14.366 -2.199 0.279 1.00 0.30 C ATOM 434 O GLN A 28 14.650 -2.906 1.253 1.00 0.37 O ATOM 435 CB GLN A 28 15.883 -0.188 0.161 1.00 0.28 C ATOM 436 CG GLN A 28 16.744 -1.088 -0.715 1.00 0.45 C ATOM 437 CD GLN A 28 18.192 -0.640 -0.748 1.00 0.77 C ATOM 438 OE1 GLN A 28 18.984 -1.007 0.123 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.563 0.112 -1.771 1.00 1.23 N ATOM 0 H GLN A 28 14.498 -0.455 2.443 1.00 0.40 H new ATOM 0 HA GLN A 28 13.814 -0.275 -0.437 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.858 0.808 -0.280 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.358 -0.093 1.137 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.691 -2.112 -0.344 1.00 0.45 H new ATOM 0 HG3 GLN A 28 16.344 -1.095 -1.729 1.00 0.45 H new ATOM 0 HE21 GLN A 28 17.877 0.395 -2.471 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.535 0.409 -1.860 1.00 1.23 H new ATOM 448 N GLY A 29 13.974 -2.700 -0.885 1.00 0.29 N ATOM 449 CA GLY A 29 13.938 -4.133 -1.107 1.00 0.32 C ATOM 450 C GLY A 29 12.555 -4.646 -1.445 1.00 0.30 C ATOM 451 O GLY A 29 11.665 -3.873 -1.798 1.00 0.28 O ATOM 0 H GLY A 29 13.679 -2.137 -1.683 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.621 -4.387 -1.918 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.300 -4.642 -0.214 1.00 0.32 H new ATOM 455 N ARG A 30 12.380 -5.960 -1.340 1.00 0.35 N ATOM 456 CA ARG A 30 11.115 -6.599 -1.684 1.00 0.36 C ATOM 457 C ARG A 30 10.138 -6.536 -0.524 1.00 0.39 C ATOM 458 O ARG A 30 10.469 -6.925 0.594 1.00 0.51 O ATOM 459 CB ARG A 30 11.305 -8.077 -2.056 1.00 0.46 C ATOM 460 CG ARG A 30 11.983 -8.327 -3.394 1.00 0.51 C ATOM 461 CD ARG A 30 13.475 -8.060 -3.329 1.00 0.66 C ATOM 462 NE ARG A 30 14.154 -8.975 -2.411 1.00 1.20 N ATOM 463 CZ ARG A 30 15.466 -9.200 -2.420 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.242 -8.584 -3.306 1.00 1.65 N ATOM 465 NH2 ARG A 30 15.998 -10.053 -1.556 1.00 2.57 N ATOM 0 H ARG A 30 13.102 -6.605 -1.018 1.00 0.35 H new ATOM 0 HA ARG A 30 10.722 -6.053 -2.542 1.00 0.36 H new ATOM 0 HB2 ARG A 30 11.892 -8.559 -1.274 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.328 -8.561 -2.066 1.00 0.46 H new ATOM 0 HG2 ARG A 30 11.812 -9.359 -3.701 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.533 -7.689 -4.154 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.905 -8.160 -4.325 1.00 0.66 H new ATOM 0 HD3 ARG A 30 13.646 -7.032 -3.010 1.00 0.66 H new ATOM 0 HE ARG A 30 13.588 -9.470 -1.722 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.832 -7.938 -3.980 1.00 1.65 H new ATOM 0 HH12 ARG A 30 17.247 -8.758 -3.311 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.402 -10.537 -0.884 1.00 2.57 H new ATOM 0 HH22 ARG A 30 17.003 -10.225 -1.563 1.00 2.57 H new ATOM 479 N TRP A 31 8.945 -6.041 -0.788 1.00 0.34 N ATOM 480 CA TRP A 31 7.854 -6.179 0.158 1.00 0.42 C ATOM 481 C TRP A 31 6.630 -6.765 -0.529 1.00 0.34 C ATOM 482 O TRP A 31 6.103 -6.208 -1.499 1.00 0.34 O ATOM 483 CB TRP A 31 7.524 -4.852 0.842 1.00 0.55 C ATOM 484 CG TRP A 31 8.264 -4.657 2.133 1.00 0.85 C ATOM 485 CD1 TRP A 31 7.886 -5.108 3.366 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.501 -3.963 2.325 1.00 0.74 C ATOM 487 NE1 TRP A 31 8.811 -4.737 4.311 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.809 -4.030 3.697 1.00 0.91 C ATOM 489 CE3 TRP A 31 10.375 -3.289 1.474 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.954 -3.451 4.232 1.00 0.90 C ATOM 491 CZ3 TRP A 31 11.511 -2.714 2.006 1.00 2.36 C ATOM 492 CH2 TRP A 31 11.790 -2.796 3.373 1.00 1.70 C ATOM 0 H TRP A 31 8.706 -5.542 -1.645 1.00 0.34 H new ATOM 0 HA TRP A 31 8.174 -6.867 0.940 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.763 -4.032 0.165 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.452 -4.805 1.034 1.00 0.55 H new ATOM 0 HD1 TRP A 31 6.989 -5.675 3.568 1.00 1.94 H new ATOM 0 HE1 TRP A 31 8.762 -4.953 5.307 1.00 1.91 H new ATOM 0 HE3 TRP A 31 10.167 -3.218 0.417 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.174 -3.517 5.287 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 12.196 -2.192 1.355 1.00 2.36 H new ATOM 0 HH2 TRP A 31 12.686 -2.332 3.758 1.00 1.70 H new ATOM 503 N PHE A 32 6.218 -7.917 -0.029 1.00 0.31 N ATOM 504 CA PHE A 32 5.070 -8.635 -0.550 1.00 0.30 C ATOM 505 C PHE A 32 3.808 -8.215 0.180 1.00 0.29 C ATOM 506 O PHE A 32 3.804 -8.095 1.404 1.00 0.33 O ATOM 507 CB PHE A 32 5.266 -10.145 -0.383 1.00 0.38 C ATOM 508 CG PHE A 32 6.304 -10.736 -1.292 1.00 0.63 C ATOM 509 CD1 PHE A 32 7.653 -10.647 -0.989 1.00 1.10 C ATOM 510 CD2 PHE A 32 5.923 -11.389 -2.450 1.00 0.68 C ATOM 511 CE1 PHE A 32 8.603 -11.197 -1.829 1.00 1.62 C ATOM 512 CE2 PHE A 32 6.864 -11.940 -3.294 1.00 1.17 C ATOM 513 CZ PHE A 32 8.207 -11.846 -2.984 1.00 1.64 C ATOM 0 H PHE A 32 6.674 -8.383 0.755 1.00 0.31 H new ATOM 0 HA PHE A 32 4.972 -8.396 -1.609 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.544 -10.352 0.650 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.315 -10.645 -0.563 1.00 0.38 H new ATOM 0 HD1 PHE A 32 7.966 -10.142 -0.087 1.00 1.10 H new ATOM 0 HD2 PHE A 32 4.875 -11.468 -2.697 1.00 0.68 H new ATOM 0 HE1 PHE A 32 9.652 -11.120 -1.584 1.00 1.62 H new ATOM 0 HE2 PHE A 32 6.551 -12.444 -4.196 1.00 1.17 H new ATOM 0 HZ PHE A 32 8.946 -12.278 -3.642 1.00 1.64 H new ATOM 523 N VAL A 33 2.745 -7.981 -0.570 1.00 0.28 N ATOM 524 CA VAL A 33 1.457 -7.668 0.031 1.00 0.30 C ATOM 525 C VAL A 33 0.879 -8.918 0.666 1.00 0.31 C ATOM 526 O VAL A 33 0.528 -9.856 -0.030 1.00 0.52 O ATOM 527 CB VAL A 33 0.441 -7.139 -0.998 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.676 -6.373 -0.311 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.119 -6.284 -2.040 1.00 0.74 C ATOM 0 H VAL A 33 2.746 -8.001 -1.590 1.00 0.28 H new ATOM 0 HA VAL A 33 1.632 -6.889 0.773 1.00 0.30 H new ATOM 0 HB VAL A 33 0.000 -7.997 -1.505 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.381 -6.009 -1.059 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -1.194 -7.032 0.386 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.256 -5.527 0.233 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.378 -5.924 -2.754 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.600 -5.434 -1.556 1.00 0.74 H new ATOM 0 HG23 VAL A 33 1.870 -6.876 -2.564 1.00 0.74 H new ATOM 539 N VAL A 34 0.787 -8.939 1.977 1.00 0.20 N ATOM 540 CA VAL A 34 0.232 -10.090 2.662 1.00 0.25 C ATOM 541 C VAL A 34 -1.208 -9.803 3.092 1.00 0.28 C ATOM 542 O VAL A 34 -1.980 -10.716 3.391 1.00 0.47 O ATOM 543 CB VAL A 34 1.098 -10.487 3.877 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.560 -11.739 4.556 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.536 -10.702 3.434 1.00 0.29 C ATOM 0 H VAL A 34 1.086 -8.179 2.588 1.00 0.20 H new ATOM 0 HA VAL A 34 0.229 -10.932 1.970 1.00 0.25 H new ATOM 0 HB VAL A 34 1.061 -9.675 4.603 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.192 -11.991 5.407 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.458 -11.557 4.901 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.560 -12.566 3.846 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.144 -10.982 4.294 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.572 -11.498 2.690 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.925 -9.781 3.000 1.00 0.29 H new ATOM 555 N GLY A 35 -1.573 -8.527 3.092 1.00 0.19 N ATOM 556 CA GLY A 35 -2.935 -8.148 3.416 1.00 0.19 C ATOM 557 C GLY A 35 -3.305 -6.783 2.868 1.00 0.17 C ATOM 558 O GLY A 35 -2.423 -5.987 2.525 1.00 0.18 O ATOM 0 H GLY A 35 -0.951 -7.749 2.874 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.621 -8.895 3.016 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.061 -8.147 4.499 1.00 0.19 H new ATOM 562 N LEU A 36 -4.603 -6.501 2.803 1.00 0.17 N ATOM 563 CA LEU A 36 -5.083 -5.237 2.274 1.00 0.18 C ATOM 564 C LEU A 36 -6.470 -4.926 2.821 1.00 0.16 C ATOM 565 O LEU A 36 -7.340 -5.787 2.860 1.00 0.18 O ATOM 566 CB LEU A 36 -5.131 -5.280 0.750 1.00 0.20 C ATOM 567 CG LEU A 36 -5.229 -3.911 0.075 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.904 -3.167 0.172 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.656 -4.067 -1.370 1.00 0.30 C ATOM 0 H LEU A 36 -5.340 -7.135 3.112 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.393 -4.453 2.585 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.237 -5.786 0.386 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -5.986 -5.883 0.444 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.984 -3.321 0.595 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.996 -2.196 -0.314 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.643 -3.025 1.221 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.124 -3.747 -0.321 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.722 -3.085 -1.838 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.924 -4.674 -1.902 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.630 -4.554 -1.411 1.00 0.30 H new ATOM 581 N ALA A 37 -6.673 -3.689 3.227 1.00 0.17 N ATOM 582 CA ALA A 37 -7.930 -3.272 3.831 1.00 0.18 C ATOM 583 C ALA A 37 -8.275 -1.866 3.386 1.00 0.24 C ATOM 584 O ALA A 37 -7.463 -0.963 3.532 1.00 0.43 O ATOM 585 CB ALA A 37 -7.804 -3.319 5.344 1.00 0.25 C ATOM 0 H ALA A 37 -5.979 -2.946 3.150 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.724 -3.947 3.513 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.745 -3.007 5.797 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.570 -4.336 5.658 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -7.007 -2.648 5.664 1.00 0.25 H new ATOM 591 N GLY A 38 -9.468 -1.662 2.856 1.00 0.22 N ATOM 592 CA GLY A 38 -9.796 -0.360 2.332 1.00 0.26 C ATOM 593 C GLY A 38 -11.036 -0.348 1.480 1.00 0.25 C ATOM 594 O GLY A 38 -11.481 -1.378 0.990 1.00 0.26 O ATOM 0 H GLY A 38 -10.204 -2.364 2.780 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.929 0.333 3.162 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.956 0.007 1.742 1.00 0.26 H new ATOM 598 N ASN A 39 -11.590 0.837 1.294 1.00 0.26 N ATOM 599 CA ASN A 39 -12.797 0.990 0.504 1.00 0.27 C ATOM 600 C ASN A 39 -12.477 0.743 -0.972 1.00 0.32 C ATOM 601 O ASN A 39 -13.296 0.224 -1.727 1.00 0.40 O ATOM 602 CB ASN A 39 -13.400 2.385 0.712 1.00 0.31 C ATOM 603 CG ASN A 39 -14.573 2.672 -0.215 1.00 1.08 C ATOM 604 OD1 ASN A 39 -15.343 1.778 -0.557 1.00 1.94 O ATOM 605 ND2 ASN A 39 -14.711 3.923 -0.629 1.00 1.73 N ATOM 0 H ASN A 39 -11.223 1.707 1.680 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.536 0.257 0.828 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.730 2.481 1.746 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.626 3.136 0.553 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -15.478 4.172 -1.254 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -14.051 4.637 -0.323 1.00 1.73 H new ATOM 612 N ALA A 40 -11.252 1.087 -1.357 1.00 0.34 N ATOM 613 CA ALA A 40 -10.785 0.877 -2.723 1.00 0.41 C ATOM 614 C ALA A 40 -10.242 -0.541 -2.891 1.00 0.39 C ATOM 615 O ALA A 40 -9.809 -0.935 -3.973 1.00 0.45 O ATOM 616 CB ALA A 40 -9.718 1.903 -3.069 1.00 0.46 C ATOM 0 H ALA A 40 -10.562 1.514 -0.739 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.626 1.002 -3.406 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.374 1.740 -4.090 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -10.136 2.906 -2.983 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.878 1.800 -2.382 1.00 0.46 H new ATOM 622 N VAL A 41 -10.257 -1.294 -1.797 1.00 0.34 N ATOM 623 CA VAL A 41 -9.866 -2.699 -1.811 1.00 0.33 C ATOM 624 C VAL A 41 -10.877 -3.533 -2.593 1.00 0.42 C ATOM 625 O VAL A 41 -12.089 -3.354 -2.451 1.00 0.46 O ATOM 626 CB VAL A 41 -9.730 -3.258 -0.367 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.903 -4.777 -0.316 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.381 -2.864 0.212 1.00 0.30 C ATOM 0 H VAL A 41 -10.539 -0.950 -0.879 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.895 -2.765 -2.302 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.530 -2.822 0.232 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.800 -5.121 0.713 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.892 -5.043 -0.690 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.141 -5.251 -0.935 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.290 -3.258 1.224 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.585 -3.274 -0.409 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.299 -1.777 0.237 1.00 0.30 H new ATOM 638 N GLN A 42 -10.371 -4.429 -3.431 1.00 0.55 N ATOM 639 CA GLN A 42 -11.221 -5.354 -4.161 1.00 0.69 C ATOM 640 C GLN A 42 -11.726 -6.436 -3.210 1.00 0.60 C ATOM 641 O GLN A 42 -11.192 -7.545 -3.164 1.00 0.70 O ATOM 642 CB GLN A 42 -10.447 -5.989 -5.320 1.00 0.93 C ATOM 643 CG GLN A 42 -9.752 -4.985 -6.237 1.00 1.49 C ATOM 644 CD GLN A 42 -10.701 -4.196 -7.133 1.00 1.84 C ATOM 645 OE1 GLN A 42 -11.916 -3.948 -6.667 1.00 2.44 O flip ATOM 646 NE2 GLN A 42 -10.332 -3.802 -8.238 1.00 2.35 N flip ATOM 0 H GLN A 42 -9.374 -4.533 -3.621 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.071 -4.810 -4.573 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -9.699 -6.669 -4.912 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -11.135 -6.591 -5.914 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -9.182 -4.286 -5.626 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -9.036 -5.517 -6.864 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -9.389 -4.011 -8.565 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -10.969 -3.266 -8.827 1.00 2.35 H new ATOM 655 N LYS A 43 -12.746 -6.088 -2.442 1.00 0.50 N ATOM 656 CA LYS A 43 -13.282 -6.971 -1.425 1.00 0.48 C ATOM 657 C LYS A 43 -14.669 -7.459 -1.845 1.00 0.59 C ATOM 658 O LYS A 43 -15.634 -6.696 -1.859 1.00 0.69 O ATOM 659 CB LYS A 43 -13.346 -6.224 -0.082 1.00 0.43 C ATOM 660 CG LYS A 43 -13.258 -7.106 1.156 1.00 0.57 C ATOM 661 CD LYS A 43 -14.039 -8.400 1.033 1.00 0.55 C ATOM 662 CE LYS A 43 -13.501 -9.425 2.009 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.866 -9.100 3.416 1.00 0.97 N ATOM 0 H LYS A 43 -13.222 -5.188 -2.507 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.634 -7.840 -1.310 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.534 -5.498 -0.049 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.279 -5.661 -0.042 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -12.212 -7.340 1.352 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.627 -6.548 2.017 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -15.095 -8.217 1.231 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.967 -8.782 0.015 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -13.890 -10.410 1.752 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.416 -9.477 1.919 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -14.184 -9.964 3.900 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -13.037 -8.712 3.909 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -14.633 -8.397 3.422 1.00 0.97 H new ATOM 677 N GLU A 44 -14.751 -8.729 -2.194 1.00 0.68 N ATOM 678 CA GLU A 44 -16.011 -9.349 -2.583 1.00 0.80 C ATOM 679 C GLU A 44 -16.672 -10.044 -1.401 1.00 0.76 C ATOM 680 O GLU A 44 -17.781 -9.699 -0.999 1.00 0.88 O ATOM 681 CB GLU A 44 -15.800 -10.364 -3.720 1.00 0.94 C ATOM 682 CG GLU A 44 -14.366 -10.875 -3.884 1.00 0.95 C ATOM 683 CD GLU A 44 -13.762 -11.434 -2.623 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.986 -12.622 -2.329 1.00 2.00 O ATOM 685 OE2 GLU A 44 -13.084 -10.680 -1.901 1.00 2.22 O ATOM 0 H GLU A 44 -13.951 -9.361 -2.217 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.666 -8.552 -2.934 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -16.455 -11.218 -3.548 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -16.114 -9.905 -4.657 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -14.353 -11.647 -4.653 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -13.740 -10.058 -4.242 1.00 0.95 H new ATOM 692 N ARG A 45 -15.961 -11.003 -0.845 1.00 0.70 N ATOM 693 CA ARG A 45 -16.463 -11.831 0.235 1.00 0.79 C ATOM 694 C ARG A 45 -15.297 -12.399 1.032 1.00 0.79 C ATOM 695 O ARG A 45 -15.370 -12.531 2.255 1.00 0.90 O ATOM 696 CB ARG A 45 -17.328 -12.961 -0.343 1.00 0.94 C ATOM 697 CG ARG A 45 -17.520 -14.149 0.590 1.00 1.54 C ATOM 698 CD ARG A 45 -18.424 -15.206 -0.029 1.00 1.86 C ATOM 699 NE ARG A 45 -18.025 -15.555 -1.396 1.00 2.25 N ATOM 700 CZ ARG A 45 -18.305 -16.722 -1.980 1.00 2.90 C ATOM 701 NH1 ARG A 45 -18.843 -17.712 -1.279 1.00 3.09 N ATOM 702 NH2 ARG A 45 -18.019 -16.908 -3.262 1.00 3.78 N ATOM 0 H ARG A 45 -15.009 -11.233 -1.132 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.078 -11.229 0.904 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -18.307 -12.556 -0.602 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -16.873 -13.312 -1.269 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -16.551 -14.590 0.824 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -17.950 -13.807 1.532 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -18.407 -16.102 0.591 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -19.451 -14.842 -0.035 1.00 1.86 H new ATOM 0 HE ARG A 45 -17.502 -14.864 -1.933 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -19.045 -17.584 -0.287 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -19.054 -18.601 -1.732 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -17.585 -16.159 -3.802 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -18.233 -17.800 -3.708 1.00 3.78 H new ATOM 716 N GLN A 46 -14.212 -12.704 0.336 1.00 0.80 N ATOM 717 CA GLN A 46 -13.049 -13.313 0.972 1.00 0.94 C ATOM 718 C GLN A 46 -11.738 -12.680 0.504 1.00 0.86 C ATOM 719 O GLN A 46 -10.954 -12.204 1.328 1.00 0.94 O ATOM 720 CB GLN A 46 -13.032 -14.828 0.728 1.00 1.13 C ATOM 721 CG GLN A 46 -13.205 -15.223 -0.730 1.00 1.36 C ATOM 722 CD GLN A 46 -13.162 -16.724 -0.950 1.00 1.85 C ATOM 723 OE1 GLN A 46 -12.381 -17.429 -0.144 1.00 2.42 O flip ATOM 724 NE2 GLN A 46 -13.817 -17.246 -1.853 1.00 2.45 N flip ATOM 0 H GLN A 46 -14.111 -12.541 -0.666 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.134 -13.128 2.043 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -12.089 -15.234 1.094 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -13.826 -15.289 1.315 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.156 -14.836 -1.095 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -12.421 -14.752 -1.323 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -14.407 -16.670 -2.453 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -13.769 -18.254 -2.000 1.00 2.45 H new ATOM 733 N SER A 47 -11.510 -12.643 -0.808 1.00 0.79 N ATOM 734 CA SER A 47 -10.230 -12.190 -1.338 1.00 0.80 C ATOM 735 C SER A 47 -10.226 -12.180 -2.869 1.00 0.82 C ATOM 736 O SER A 47 -9.812 -13.151 -3.503 1.00 0.93 O ATOM 737 CB SER A 47 -9.102 -13.097 -0.826 1.00 0.93 C ATOM 738 OG SER A 47 -9.339 -14.454 -1.177 1.00 1.58 O ATOM 0 H SER A 47 -12.190 -12.919 -1.516 1.00 0.79 H new ATOM 0 HA SER A 47 -10.069 -11.169 -0.992 1.00 0.80 H new ATOM 0 HB2 SER A 47 -8.150 -12.771 -1.245 1.00 0.93 H new ATOM 0 HB3 SER A 47 -9.022 -13.007 0.257 1.00 0.93 H new ATOM 0 HG SER A 47 -9.548 -14.513 -2.133 1.00 1.58 H new ATOM 744 N ARG A 48 -10.715 -11.099 -3.461 1.00 0.81 N ATOM 745 CA ARG A 48 -10.580 -10.902 -4.901 1.00 0.90 C ATOM 746 C ARG A 48 -9.179 -10.398 -5.203 1.00 0.92 C ATOM 747 O ARG A 48 -8.639 -10.599 -6.292 1.00 1.64 O ATOM 748 CB ARG A 48 -11.619 -9.900 -5.417 1.00 0.95 C ATOM 749 CG ARG A 48 -11.512 -9.614 -6.907 1.00 1.22 C ATOM 750 CD ARG A 48 -11.736 -10.869 -7.737 1.00 1.72 C ATOM 751 NE ARG A 48 -11.394 -10.662 -9.144 1.00 2.25 N ATOM 752 CZ ARG A 48 -12.005 -11.268 -10.162 1.00 2.93 C ATOM 753 NH1 ARG A 48 -13.034 -12.078 -9.940 1.00 3.36 N ATOM 754 NH2 ARG A 48 -11.591 -11.059 -11.405 1.00 3.61 N ATOM 0 H ARG A 48 -11.205 -10.350 -2.973 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.750 -11.853 -5.406 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.617 -10.282 -5.201 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.511 -8.964 -4.869 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -12.245 -8.857 -7.186 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -10.528 -9.202 -7.129 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -11.134 -11.683 -7.333 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -12.779 -11.175 -7.658 1.00 1.72 H new ATOM 0 HE ARG A 48 -10.639 -10.012 -9.360 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -13.360 -12.239 -8.987 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -13.498 -12.539 -10.723 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -10.805 -10.434 -11.582 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -12.059 -11.523 -12.183 1.00 3.61 H new ATOM 768 N PHE A 49 -8.599 -9.743 -4.213 1.00 0.49 N ATOM 769 CA PHE A 49 -7.267 -9.192 -4.331 1.00 0.42 C ATOM 770 C PHE A 49 -6.225 -10.304 -4.331 1.00 0.59 C ATOM 771 O PHE A 49 -6.439 -11.394 -3.802 1.00 1.46 O ATOM 772 CB PHE A 49 -7.004 -8.211 -3.186 1.00 0.35 C ATOM 773 CG PHE A 49 -5.682 -7.505 -3.251 1.00 0.32 C ATOM 774 CD1 PHE A 49 -5.316 -6.762 -4.362 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.799 -7.603 -2.191 1.00 0.27 C ATOM 776 CE1 PHE A 49 -4.091 -6.124 -4.409 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.572 -6.969 -2.233 1.00 0.30 C ATOM 778 CZ PHE A 49 -3.218 -6.229 -3.344 1.00 0.37 C ATOM 0 H PHE A 49 -9.040 -9.580 -3.308 1.00 0.49 H new ATOM 0 HA PHE A 49 -7.192 -8.656 -5.277 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.798 -7.464 -3.177 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.064 -8.752 -2.242 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.994 -6.681 -5.199 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.072 -8.182 -1.321 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.817 -5.544 -5.278 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.891 -7.052 -1.399 1.00 0.30 H new ATOM 0 HZ PHE A 49 -2.259 -5.733 -3.380 1.00 0.37 H new ATOM 788 N THR A 50 -5.093 -9.987 -4.903 1.00 0.46 N ATOM 789 CA THR A 50 -3.995 -10.917 -5.071 1.00 0.42 C ATOM 790 C THR A 50 -2.691 -10.169 -4.849 1.00 0.47 C ATOM 791 O THR A 50 -2.543 -9.031 -5.297 1.00 0.84 O ATOM 792 CB THR A 50 -4.002 -11.566 -6.476 1.00 0.42 C ATOM 793 OG1 THR A 50 -4.568 -10.660 -7.436 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.776 -12.881 -6.484 1.00 0.82 C ATOM 0 H THR A 50 -4.900 -9.057 -5.275 1.00 0.46 H new ATOM 0 HA THR A 50 -4.103 -11.722 -4.344 1.00 0.42 H new ATOM 0 HB THR A 50 -2.968 -11.783 -6.746 1.00 0.42 H new ATOM 0 HG1 THR A 50 -4.566 -11.079 -8.322 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.759 -13.307 -7.487 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.315 -13.579 -5.785 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.808 -12.698 -6.185 1.00 0.82 H new ATOM 802 N MET A 51 -1.773 -10.787 -4.126 1.00 0.25 N ATOM 803 CA MET A 51 -0.534 -10.117 -3.744 1.00 0.24 C ATOM 804 C MET A 51 0.365 -9.838 -4.935 1.00 0.26 C ATOM 805 O MET A 51 0.425 -10.603 -5.896 1.00 0.29 O ATOM 806 CB MET A 51 0.244 -10.932 -2.716 1.00 0.25 C ATOM 807 CG MET A 51 0.747 -12.271 -3.222 1.00 0.31 C ATOM 808 SD MET A 51 1.157 -13.405 -1.878 1.00 0.50 S ATOM 809 CE MET A 51 2.153 -12.357 -0.817 1.00 1.00 C ATOM 0 H MET A 51 -1.858 -11.747 -3.791 1.00 0.25 H new ATOM 0 HA MET A 51 -0.832 -9.164 -3.306 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.096 -10.344 -2.375 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.394 -11.102 -1.849 1.00 0.25 H new ATOM 0 HG2 MET A 51 -0.013 -12.725 -3.858 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.629 -12.114 -3.843 1.00 0.31 H new ATOM 0 HE1 MET A 51 2.907 -12.962 -0.312 1.00 1.00 H new ATOM 0 HE2 MET A 51 2.644 -11.592 -1.419 1.00 1.00 H new ATOM 0 HE3 MET A 51 1.514 -11.879 -0.074 1.00 1.00 H new ATOM 819 N TYR A 52 1.051 -8.722 -4.839 1.00 0.28 N ATOM 820 CA TYR A 52 2.094 -8.361 -5.770 1.00 0.32 C ATOM 821 C TYR A 52 3.297 -7.869 -4.977 1.00 0.30 C ATOM 822 O TYR A 52 3.197 -7.667 -3.766 1.00 0.30 O ATOM 823 CB TYR A 52 1.606 -7.300 -6.772 1.00 0.42 C ATOM 824 CG TYR A 52 0.893 -6.090 -6.183 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.392 -5.407 -5.080 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.270 -5.607 -6.772 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.753 -4.285 -4.584 1.00 0.61 C ATOM 828 CE2 TYR A 52 -0.918 -4.491 -6.275 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.400 -3.834 -5.181 1.00 0.71 C ATOM 830 OH TYR A 52 -1.032 -2.715 -4.684 1.00 0.85 O ATOM 0 H TYR A 52 0.898 -8.032 -4.104 1.00 0.28 H new ATOM 0 HA TYR A 52 2.379 -9.233 -6.358 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.466 -6.946 -7.341 1.00 0.42 H new ATOM 0 HB3 TYR A 52 0.932 -7.783 -7.480 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.294 -5.759 -4.602 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.676 -6.114 -7.635 1.00 0.61 H new ATOM 0 HE1 TYR A 52 1.159 -3.764 -3.729 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.825 -4.137 -6.742 1.00 0.72 H new ATOM 0 HH TYR A 52 -1.832 -2.527 -5.218 1.00 0.85 H new ATOM 840 N SER A 53 4.427 -7.687 -5.630 1.00 0.33 N ATOM 841 CA SER A 53 5.596 -7.187 -4.937 1.00 0.33 C ATOM 842 C SER A 53 5.830 -5.740 -5.283 1.00 0.37 C ATOM 843 O SER A 53 5.773 -5.350 -6.448 1.00 0.52 O ATOM 844 CB SER A 53 6.855 -7.989 -5.273 1.00 0.40 C ATOM 845 OG SER A 53 6.743 -9.325 -4.845 1.00 0.93 O ATOM 0 H SER A 53 4.560 -7.874 -6.624 1.00 0.33 H new ATOM 0 HA SER A 53 5.399 -7.292 -3.870 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.028 -7.963 -6.349 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.721 -7.525 -4.800 1.00 0.40 H new ATOM 0 HG SER A 53 7.214 -9.911 -5.474 1.00 0.93 H new ATOM 851 N THR A 54 6.054 -4.946 -4.261 1.00 0.31 N ATOM 852 CA THR A 54 6.513 -3.595 -4.446 1.00 0.33 C ATOM 853 C THR A 54 7.972 -3.561 -4.019 1.00 0.29 C ATOM 854 O THR A 54 8.284 -3.589 -2.827 1.00 0.27 O ATOM 855 CB THR A 54 5.663 -2.623 -3.603 1.00 0.37 C ATOM 856 OG1 THR A 54 4.339 -3.155 -3.463 1.00 0.43 O ATOM 857 CG2 THR A 54 5.570 -1.254 -4.264 1.00 0.43 C ATOM 0 H THR A 54 5.923 -5.219 -3.287 1.00 0.31 H new ATOM 0 HA THR A 54 6.416 -3.284 -5.486 1.00 0.33 H new ATOM 0 HB THR A 54 6.141 -2.510 -2.630 1.00 0.37 H new ATOM 0 HG1 THR A 54 4.141 -3.295 -2.513 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.964 -0.592 -3.645 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.570 -0.834 -4.374 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.109 -1.355 -5.247 1.00 0.43 H new ATOM 865 N ILE A 55 8.866 -3.559 -4.996 1.00 0.30 N ATOM 866 CA ILE A 55 10.289 -3.605 -4.709 1.00 0.28 C ATOM 867 C ILE A 55 10.847 -2.201 -4.706 1.00 0.24 C ATOM 868 O ILE A 55 11.226 -1.678 -5.751 1.00 0.26 O ATOM 869 CB ILE A 55 11.084 -4.438 -5.738 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.281 -5.644 -6.248 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.394 -4.895 -5.113 1.00 0.32 C ATOM 872 CD1 ILE A 55 9.868 -6.622 -5.176 1.00 0.72 C ATOM 0 H ILE A 55 8.632 -3.526 -5.988 1.00 0.30 H new ATOM 0 HA ILE A 55 10.397 -4.082 -3.735 1.00 0.28 H new ATOM 0 HB ILE A 55 11.289 -3.805 -6.601 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.387 -5.281 -6.754 1.00 0.50 H new ATOM 0 HG13 ILE A 55 10.877 -6.172 -6.993 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.957 -5.483 -5.838 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.980 -4.024 -4.819 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.185 -5.505 -4.234 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.306 -7.440 -5.627 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.756 -7.019 -4.684 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.243 -6.114 -4.442 1.00 0.72 H new ATOM 884 N TYR A 56 10.878 -1.586 -3.542 1.00 0.25 N ATOM 885 CA TYR A 56 11.314 -0.207 -3.441 1.00 0.27 C ATOM 886 C TYR A 56 12.826 -0.143 -3.558 1.00 0.30 C ATOM 887 O TYR A 56 13.537 -0.579 -2.654 1.00 0.36 O ATOM 888 CB TYR A 56 10.880 0.421 -2.116 1.00 0.32 C ATOM 889 CG TYR A 56 9.556 -0.076 -1.555 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.347 0.097 -2.230 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.519 -0.693 -0.315 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.157 -0.334 -1.677 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.331 -1.131 0.234 1.00 1.01 C ATOM 894 CZ TYR A 56 7.155 -0.948 -0.449 1.00 0.79 C ATOM 895 OH TYR A 56 5.969 -1.378 0.099 1.00 1.02 O ATOM 0 H TYR A 56 10.608 -2.015 -2.657 1.00 0.25 H new ATOM 0 HA TYR A 56 10.850 0.355 -4.252 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.659 0.239 -1.376 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.815 1.501 -2.251 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.342 0.575 -3.199 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.439 -0.834 0.233 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.229 -0.188 -2.210 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.327 -1.617 1.199 1.00 1.01 H new ATOM 0 HH TYR A 56 6.142 -1.792 0.970 1.00 1.02 H new ATOM 905 N GLU A 57 13.326 0.374 -4.670 1.00 0.33 N ATOM 906 CA GLU A 57 14.759 0.458 -4.856 1.00 0.41 C ATOM 907 C GLU A 57 15.214 1.902 -4.700 1.00 0.36 C ATOM 908 O GLU A 57 14.971 2.748 -5.560 1.00 0.42 O ATOM 909 CB GLU A 57 15.175 -0.110 -6.213 1.00 0.52 C ATOM 910 CG GLU A 57 16.680 -0.235 -6.384 1.00 1.13 C ATOM 911 CD GLU A 57 17.297 -1.195 -5.389 1.00 1.56 C ATOM 912 OE1 GLU A 57 17.483 -0.800 -4.216 1.00 2.33 O ATOM 913 OE2 GLU A 57 17.599 -2.346 -5.770 1.00 1.84 O ATOM 0 H GLU A 57 12.768 0.735 -5.444 1.00 0.33 H new ATOM 0 HA GLU A 57 15.247 -0.147 -4.091 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.720 -1.092 -6.341 1.00 0.52 H new ATOM 0 HB3 GLU A 57 14.780 0.530 -7.002 1.00 0.52 H new ATOM 0 HG2 GLU A 57 16.901 -0.574 -7.396 1.00 1.13 H new ATOM 0 HG3 GLU A 57 17.139 0.747 -6.269 1.00 1.13 H new ATOM 920 N LEU A 58 15.846 2.165 -3.573 1.00 0.41 N ATOM 921 CA LEU A 58 16.298 3.500 -3.220 1.00 0.42 C ATOM 922 C LEU A 58 17.418 3.973 -4.143 1.00 0.43 C ATOM 923 O LEU A 58 18.435 3.298 -4.296 1.00 0.60 O ATOM 924 CB LEU A 58 16.771 3.491 -1.762 1.00 0.62 C ATOM 925 CG LEU A 58 17.571 4.709 -1.304 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.742 5.978 -1.385 1.00 1.24 C ATOM 927 CD2 LEU A 58 18.062 4.493 0.110 1.00 1.24 C ATOM 0 H LEU A 58 16.062 1.456 -2.872 1.00 0.41 H new ATOM 0 HA LEU A 58 15.469 4.197 -3.337 1.00 0.42 H new ATOM 0 HB2 LEU A 58 15.896 3.394 -1.119 1.00 0.62 H new ATOM 0 HB3 LEU A 58 17.382 2.602 -1.606 1.00 0.62 H new ATOM 0 HG LEU A 58 18.425 4.828 -1.971 1.00 0.58 H new ATOM 0 HD11 LEU A 58 17.341 6.826 -1.052 1.00 1.24 H new ATOM 0 HD12 LEU A 58 16.425 6.140 -2.415 1.00 1.24 H new ATOM 0 HD13 LEU A 58 15.864 5.881 -0.746 1.00 1.24 H new ATOM 0 HD21 LEU A 58 18.632 5.363 0.434 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.209 4.350 0.774 1.00 1.24 H new ATOM 0 HD23 LEU A 58 18.699 3.609 0.143 1.00 1.24 H new ATOM 939 N GLN A 59 17.223 5.135 -4.758 1.00 0.37 N ATOM 940 CA GLN A 59 18.262 5.742 -5.566 1.00 0.48 C ATOM 941 C GLN A 59 19.129 6.612 -4.661 1.00 0.57 C ATOM 942 O GLN A 59 18.912 6.646 -3.452 1.00 0.58 O ATOM 943 CB GLN A 59 17.647 6.574 -6.700 1.00 0.53 C ATOM 944 CG GLN A 59 18.605 6.894 -7.842 1.00 1.13 C ATOM 945 CD GLN A 59 18.956 5.683 -8.691 1.00 1.75 C ATOM 946 OE1 GLN A 59 18.980 4.548 -8.213 1.00 2.50 O ATOM 947 NE2 GLN A 59 19.236 5.922 -9.960 1.00 2.33 N ATOM 0 H GLN A 59 16.356 5.670 -4.710 1.00 0.37 H new ATOM 0 HA GLN A 59 18.875 4.967 -6.026 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.788 6.037 -7.103 1.00 0.53 H new ATOM 0 HB3 GLN A 59 17.272 7.509 -6.285 1.00 0.53 H new ATOM 0 HG2 GLN A 59 18.158 7.658 -8.478 1.00 1.13 H new ATOM 0 HG3 GLN A 59 19.521 7.318 -7.430 1.00 1.13 H new ATOM 0 HE21 GLN A 59 19.205 6.877 -10.318 1.00 2.33 H new ATOM 0 HE22 GLN A 59 19.483 5.152 -10.582 1.00 2.33 H new ATOM 956 N GLU A 60 20.087 7.322 -5.220 1.00 0.69 N ATOM 957 CA GLU A 60 20.980 8.138 -4.412 1.00 0.82 C ATOM 958 C GLU A 60 20.255 9.329 -3.778 1.00 0.75 C ATOM 959 O GLU A 60 20.771 9.943 -2.845 1.00 0.89 O ATOM 960 CB GLU A 60 22.150 8.634 -5.256 1.00 1.05 C ATOM 961 CG GLU A 60 21.731 9.535 -6.403 1.00 1.11 C ATOM 962 CD GLU A 60 22.908 9.999 -7.226 1.00 1.47 C ATOM 963 OE1 GLU A 60 23.695 10.826 -6.727 1.00 1.79 O ATOM 964 OE2 GLU A 60 23.040 9.546 -8.379 1.00 1.73 O ATOM 0 H GLU A 60 20.270 7.353 -6.223 1.00 0.69 H new ATOM 0 HA GLU A 60 21.352 7.508 -3.604 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.846 9.175 -4.615 1.00 1.05 H new ATOM 0 HB3 GLU A 60 22.688 7.775 -5.657 1.00 1.05 H new ATOM 0 HG2 GLU A 60 21.030 9.001 -7.044 1.00 1.11 H new ATOM 0 HG3 GLU A 60 21.203 10.402 -6.007 1.00 1.11 H new ATOM 971 N ASP A 61 19.054 9.650 -4.260 1.00 0.64 N ATOM 972 CA ASP A 61 18.361 10.840 -3.776 1.00 0.70 C ATOM 973 C ASP A 61 16.943 10.500 -3.329 1.00 0.54 C ATOM 974 O ASP A 61 15.982 11.167 -3.708 1.00 0.50 O ATOM 975 CB ASP A 61 18.346 11.931 -4.849 1.00 0.92 C ATOM 976 CG ASP A 61 17.991 13.288 -4.275 1.00 1.18 C ATOM 977 OD1 ASP A 61 18.690 13.742 -3.345 1.00 1.41 O ATOM 978 OD2 ASP A 61 17.011 13.905 -4.741 1.00 1.26 O ATOM 0 H ASP A 61 18.552 9.116 -4.969 1.00 0.64 H new ATOM 0 HA ASP A 61 18.904 11.220 -2.911 1.00 0.70 H new ATOM 0 HB2 ASP A 61 19.325 11.984 -5.326 1.00 0.92 H new ATOM 0 HB3 ASP A 61 17.628 11.666 -5.625 1.00 0.92 H new ATOM 983 N ASN A 62 16.848 9.429 -2.537 1.00 0.52 N ATOM 984 CA ASN A 62 15.600 8.943 -1.900 1.00 0.46 C ATOM 985 C ASN A 62 14.423 8.735 -2.853 1.00 0.36 C ATOM 986 O ASN A 62 13.351 8.327 -2.415 1.00 0.41 O ATOM 987 CB ASN A 62 15.153 9.795 -0.699 1.00 0.57 C ATOM 988 CG ASN A 62 14.934 11.266 -1.007 1.00 0.70 C ATOM 989 OD1 ASN A 62 13.857 11.671 -1.442 1.00 1.36 O ATOM 990 ND2 ASN A 62 15.945 12.082 -0.752 1.00 1.35 N ATOM 0 H ASN A 62 17.657 8.851 -2.308 1.00 0.52 H new ATOM 0 HA ASN A 62 15.890 7.956 -1.539 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.227 9.380 -0.302 1.00 0.57 H new ATOM 0 HB3 ASN A 62 15.903 9.711 0.087 1.00 0.57 H new ATOM 0 HD21 ASN A 62 15.846 13.084 -0.916 1.00 1.35 H new ATOM 0 HD22 ASN A 62 16.823 11.709 -0.392 1.00 1.35 H new ATOM 997 N SER A 63 14.599 8.986 -4.134 1.00 0.34 N ATOM 998 CA SER A 63 13.589 8.617 -5.094 1.00 0.30 C ATOM 999 C SER A 63 13.726 7.131 -5.354 1.00 0.29 C ATOM 1000 O SER A 63 14.756 6.663 -5.835 1.00 0.31 O ATOM 1001 CB SER A 63 13.730 9.428 -6.384 1.00 0.35 C ATOM 1002 OG SER A 63 15.034 9.310 -6.930 1.00 0.96 O ATOM 0 H SER A 63 15.424 9.439 -4.528 1.00 0.34 H new ATOM 0 HA SER A 63 12.596 8.836 -4.702 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.996 9.085 -7.113 1.00 0.35 H new ATOM 0 HB3 SER A 63 13.512 10.477 -6.182 1.00 0.35 H new ATOM 0 HG SER A 63 15.363 8.396 -6.798 1.00 0.96 H new ATOM 1008 N TYR A 64 12.719 6.383 -4.985 1.00 0.28 N ATOM 1009 CA TYR A 64 12.770 4.954 -5.140 1.00 0.28 C ATOM 1010 C TYR A 64 12.234 4.601 -6.503 1.00 0.29 C ATOM 1011 O TYR A 64 11.187 5.094 -6.903 1.00 0.30 O ATOM 1012 CB TYR A 64 11.895 4.258 -4.082 1.00 0.28 C ATOM 1013 CG TYR A 64 12.099 4.733 -2.652 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.363 4.990 -2.146 1.00 0.31 C ATOM 1015 CD2 TYR A 64 11.010 4.912 -1.808 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.544 5.415 -0.835 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.179 5.335 -0.503 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.445 5.585 -0.022 1.00 0.42 C ATOM 1019 OH TYR A 64 12.613 6.014 1.273 1.00 0.49 O ATOM 0 H TYR A 64 11.855 6.739 -4.576 1.00 0.28 H new ATOM 0 HA TYR A 64 13.802 4.624 -5.022 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.848 4.402 -4.349 1.00 0.28 H new ATOM 0 HB3 TYR A 64 12.089 3.186 -4.122 1.00 0.28 H new ATOM 0 HD1 TYR A 64 14.225 4.857 -2.783 1.00 0.31 H new ATOM 0 HD2 TYR A 64 10.014 4.717 -2.178 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.537 5.610 -0.457 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.320 5.469 0.138 1.00 0.45 H new ATOM 0 HH TYR A 64 11.739 6.083 1.711 1.00 0.49 H new ATOM 1029 N ASN A 65 12.932 3.752 -7.220 1.00 0.32 N ATOM 1030 CA ASN A 65 12.341 3.162 -8.392 1.00 0.36 C ATOM 1031 C ASN A 65 11.866 1.792 -7.997 1.00 0.32 C ATOM 1032 O ASN A 65 12.646 0.859 -7.813 1.00 0.37 O ATOM 1033 CB ASN A 65 13.264 3.156 -9.631 1.00 0.48 C ATOM 1034 CG ASN A 65 14.740 2.905 -9.356 1.00 1.24 C ATOM 1035 OD1 ASN A 65 15.052 1.992 -8.460 1.00 2.02 O flip ATOM 1036 ND2 ASN A 65 15.599 3.511 -9.997 1.00 1.96 N flip ATOM 0 H ASN A 65 13.888 3.461 -7.017 1.00 0.32 H new ATOM 0 HA ASN A 65 11.503 3.774 -8.725 1.00 0.36 H new ATOM 0 HB2 ASN A 65 12.908 2.392 -10.322 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.166 4.116 -10.138 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.323 4.213 -10.684 1.00 1.96 H new ATOM 0 HD22 ASN A 65 16.587 3.311 -9.841 1.00 1.96 H new ATOM 1043 N VAL A 66 10.576 1.713 -7.778 1.00 0.31 N ATOM 1044 CA VAL A 66 9.981 0.538 -7.208 1.00 0.29 C ATOM 1045 C VAL A 66 9.462 -0.382 -8.280 1.00 0.31 C ATOM 1046 O VAL A 66 8.794 0.047 -9.216 1.00 0.37 O ATOM 1047 CB VAL A 66 8.833 0.882 -6.255 1.00 0.37 C ATOM 1048 CG1 VAL A 66 8.133 -0.397 -5.837 1.00 0.67 C ATOM 1049 CG2 VAL A 66 9.353 1.629 -5.037 1.00 0.65 C ATOM 0 H VAL A 66 9.915 2.460 -7.990 1.00 0.31 H new ATOM 0 HA VAL A 66 10.768 0.038 -6.644 1.00 0.29 H new ATOM 0 HB VAL A 66 8.123 1.532 -6.767 1.00 0.37 H new ATOM 0 HG11 VAL A 66 7.314 -0.159 -5.158 1.00 0.67 H new ATOM 0 HG12 VAL A 66 7.738 -0.901 -6.719 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.843 -1.052 -5.333 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.522 1.864 -4.372 1.00 0.65 H new ATOM 0 HG22 VAL A 66 10.075 1.006 -4.509 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.836 2.553 -5.356 1.00 0.65 H new ATOM 1059 N THR A 67 9.727 -1.652 -8.104 1.00 0.34 N ATOM 1060 CA THR A 67 9.329 -2.638 -9.072 1.00 0.39 C ATOM 1061 C THR A 67 8.008 -3.259 -8.638 1.00 0.47 C ATOM 1062 O THR A 67 7.988 -4.151 -7.792 1.00 0.71 O ATOM 1063 CB THR A 67 10.393 -3.739 -9.195 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.697 -3.161 -9.079 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.278 -4.461 -10.527 1.00 0.74 C ATOM 0 H THR A 67 10.220 -2.027 -7.294 1.00 0.34 H new ATOM 0 HA THR A 67 9.216 -2.153 -10.042 1.00 0.39 H new ATOM 0 HB THR A 67 10.233 -4.461 -8.394 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.375 -3.865 -9.156 1.00 0.58 H new ATOM 0 HG21 THR A 67 11.043 -5.235 -10.588 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.292 -4.918 -10.609 1.00 0.74 H new ATOM 0 HG23 THR A 67 10.417 -3.749 -11.340 1.00 0.74 H new ATOM 1073 N SER A 68 6.910 -2.759 -9.176 1.00 0.44 N ATOM 1074 CA SER A 68 5.598 -3.277 -8.831 1.00 0.52 C ATOM 1075 C SER A 68 5.151 -4.258 -9.902 1.00 0.53 C ATOM 1076 O SER A 68 4.914 -3.879 -11.040 1.00 0.65 O ATOM 1077 CB SER A 68 4.590 -2.131 -8.691 1.00 0.60 C ATOM 1078 OG SER A 68 3.367 -2.582 -8.131 1.00 1.14 O ATOM 0 H SER A 68 6.900 -1.996 -9.853 1.00 0.44 H new ATOM 0 HA SER A 68 5.652 -3.794 -7.873 1.00 0.52 H new ATOM 0 HB2 SER A 68 5.013 -1.348 -8.062 1.00 0.60 H new ATOM 0 HB3 SER A 68 4.402 -1.688 -9.669 1.00 0.60 H new ATOM 0 HG SER A 68 2.745 -1.828 -8.053 1.00 1.14 H new ATOM 1084 N ILE A 69 5.063 -5.521 -9.550 1.00 0.53 N ATOM 1085 CA ILE A 69 4.729 -6.541 -10.527 1.00 0.53 C ATOM 1086 C ILE A 69 3.246 -6.869 -10.513 1.00 0.60 C ATOM 1087 O ILE A 69 2.686 -7.267 -9.498 1.00 0.74 O ATOM 1088 CB ILE A 69 5.564 -7.823 -10.318 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.103 -8.911 -11.293 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.460 -8.299 -8.867 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.214 -9.808 -11.788 1.00 0.78 C ATOM 0 H ILE A 69 5.216 -5.868 -8.603 1.00 0.53 H new ATOM 0 HA ILE A 69 4.975 -6.130 -11.506 1.00 0.53 H new ATOM 0 HB ILE A 69 6.612 -7.603 -10.521 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.346 -9.524 -10.804 1.00 0.66 H new ATOM 0 HG13 ILE A 69 4.625 -8.437 -12.150 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.054 -9.203 -8.737 1.00 0.57 H new ATOM 0 HG22 ILE A 69 5.833 -7.521 -8.201 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.418 -8.512 -8.628 1.00 0.57 H new ATOM 0 HD11 ILE A 69 5.804 -10.550 -12.473 1.00 0.78 H new ATOM 0 HD12 ILE A 69 6.962 -9.208 -12.307 1.00 0.78 H new ATOM 0 HD13 ILE A 69 6.679 -10.313 -10.941 1.00 0.78 H new ATOM 1103 N LEU A 70 2.623 -6.688 -11.659 1.00 0.56 N ATOM 1104 CA LEU A 70 1.212 -6.976 -11.827 1.00 0.64 C ATOM 1105 C LEU A 70 1.006 -7.910 -13.003 1.00 0.64 C ATOM 1106 O LEU A 70 1.872 -8.035 -13.875 1.00 0.67 O ATOM 1107 CB LEU A 70 0.357 -5.695 -12.000 1.00 0.74 C ATOM 1108 CG LEU A 70 1.033 -4.404 -12.524 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.850 -3.735 -11.432 1.00 0.96 C ATOM 1110 CD2 LEU A 70 1.896 -4.653 -13.760 1.00 1.18 C ATOM 0 H LEU A 70 3.080 -6.337 -12.501 1.00 0.56 H new ATOM 0 HA LEU A 70 0.873 -7.461 -10.912 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.462 -5.936 -12.678 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.088 -5.464 -11.032 1.00 0.74 H new ATOM 0 HG LEU A 70 0.229 -3.732 -12.824 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.314 -2.831 -11.827 1.00 0.96 H new ATOM 0 HD12 LEU A 70 1.198 -3.474 -10.598 1.00 0.96 H new ATOM 0 HD13 LEU A 70 2.625 -4.419 -11.086 1.00 0.96 H new ATOM 0 HD21 LEU A 70 2.346 -3.715 -14.085 1.00 1.18 H new ATOM 0 HD22 LEU A 70 2.683 -5.367 -13.517 1.00 1.18 H new ATOM 0 HD23 LEU A 70 1.276 -5.055 -14.562 1.00 1.18 H new ATOM 1122 N VAL A 71 -0.129 -8.583 -13.011 1.00 0.70 N ATOM 1123 CA VAL A 71 -0.429 -9.526 -14.065 1.00 0.74 C ATOM 1124 C VAL A 71 -1.129 -8.811 -15.207 1.00 0.83 C ATOM 1125 O VAL A 71 -2.225 -8.278 -15.054 1.00 0.99 O ATOM 1126 CB VAL A 71 -1.283 -10.705 -13.566 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -1.401 -11.776 -14.639 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.711 -11.278 -12.275 1.00 0.84 C ATOM 0 H VAL A 71 -0.855 -8.493 -12.300 1.00 0.70 H new ATOM 0 HA VAL A 71 0.515 -9.943 -14.417 1.00 0.74 H new ATOM 0 HB VAL A 71 -2.286 -10.335 -13.351 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -2.009 -12.600 -14.265 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -1.871 -11.352 -15.526 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -0.408 -12.145 -14.896 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.330 -12.110 -11.940 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.305 -11.630 -12.452 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.698 -10.504 -11.508 1.00 0.84 H new ATOM 1186 N GLY A 75 0.813 -12.084 -19.275 1.00 0.97 N ATOM 1187 CA GLY A 75 1.337 -12.824 -18.142 1.00 0.88 C ATOM 1188 C GLY A 75 1.643 -11.917 -16.974 1.00 0.81 C ATOM 1189 O GLY A 75 0.870 -11.023 -16.667 1.00 0.81 O ATOM 0 HA2 GLY A 75 0.614 -13.580 -17.836 1.00 0.88 H new ATOM 0 HA3 GLY A 75 2.243 -13.352 -18.440 1.00 0.88 H new ATOM 1193 N CYS A 76 2.776 -12.117 -16.330 1.00 0.79 N ATOM 1194 CA CYS A 76 3.154 -11.275 -15.207 1.00 0.73 C ATOM 1195 C CYS A 76 4.384 -10.455 -15.572 1.00 0.75 C ATOM 1196 O CYS A 76 5.368 -10.991 -16.082 1.00 0.92 O ATOM 1197 CB CYS A 76 3.421 -12.127 -13.965 1.00 0.78 C ATOM 1198 SG CYS A 76 4.590 -13.494 -14.236 1.00 1.26 S ATOM 0 H CYS A 76 3.448 -12.849 -16.561 1.00 0.79 H new ATOM 0 HA CYS A 76 2.333 -10.595 -14.979 1.00 0.73 H new ATOM 0 HB2 CYS A 76 3.808 -11.485 -13.174 1.00 0.78 H new ATOM 0 HB3 CYS A 76 2.476 -12.537 -13.609 1.00 0.78 H new ATOM 1203 N ARG A 77 4.320 -9.151 -15.338 1.00 0.65 N ATOM 1204 CA ARG A 77 5.404 -8.257 -15.724 1.00 0.67 C ATOM 1205 C ARG A 77 5.638 -7.203 -14.657 1.00 0.57 C ATOM 1206 O ARG A 77 4.712 -6.796 -13.954 1.00 0.56 O ATOM 1207 CB ARG A 77 5.086 -7.575 -17.056 1.00 0.79 C ATOM 1208 CG ARG A 77 5.071 -8.518 -18.247 1.00 1.22 C ATOM 1209 CD ARG A 77 6.465 -9.038 -18.554 1.00 1.46 C ATOM 1210 NE ARG A 77 6.457 -10.060 -19.598 1.00 2.14 N ATOM 1211 CZ ARG A 77 7.351 -10.131 -20.578 1.00 2.81 C ATOM 1212 NH1 ARG A 77 8.286 -9.196 -20.698 1.00 3.04 N ATOM 1213 NH2 ARG A 77 7.300 -11.129 -21.451 1.00 3.68 N ATOM 0 H ARG A 77 3.532 -8.690 -14.884 1.00 0.65 H new ATOM 0 HA ARG A 77 6.309 -8.854 -15.834 1.00 0.67 H new ATOM 0 HB2 ARG A 77 4.114 -7.088 -16.980 1.00 0.79 H new ATOM 0 HB3 ARG A 77 5.822 -6.791 -17.236 1.00 0.79 H new ATOM 0 HG2 ARG A 77 4.404 -9.356 -18.042 1.00 1.22 H new ATOM 0 HG3 ARG A 77 4.673 -8.000 -19.119 1.00 1.22 H new ATOM 0 HD2 ARG A 77 7.100 -8.208 -18.865 1.00 1.46 H new ATOM 0 HD3 ARG A 77 6.904 -9.452 -17.646 1.00 1.46 H new ATOM 0 HE ARG A 77 5.719 -10.763 -19.573 1.00 2.14 H new ATOM 0 HH11 ARG A 77 8.319 -8.420 -20.037 1.00 3.04 H new ATOM 0 HH12 ARG A 77 8.971 -9.253 -21.452 1.00 3.04 H new ATOM 0 HH21 ARG A 77 6.574 -11.841 -21.369 1.00 3.68 H new ATOM 0 HH22 ARG A 77 7.986 -11.184 -22.204 1.00 3.68 H new ATOM 1227 N TYR A 78 6.880 -6.757 -14.550 1.00 0.56 N ATOM 1228 CA TYR A 78 7.247 -5.753 -13.566 1.00 0.48 C ATOM 1229 C TYR A 78 6.943 -4.358 -14.089 1.00 0.47 C ATOM 1230 O TYR A 78 7.415 -3.966 -15.159 1.00 0.53 O ATOM 1231 CB TYR A 78 8.734 -5.853 -13.205 1.00 0.47 C ATOM 1232 CG TYR A 78 9.134 -7.177 -12.591 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.668 -7.561 -11.337 1.00 0.47 C ATOM 1234 CD2 TYR A 78 9.976 -8.048 -13.269 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.033 -8.773 -10.782 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.345 -9.262 -12.717 1.00 0.79 C ATOM 1237 CZ TYR A 78 9.870 -9.618 -11.475 1.00 0.70 C ATOM 1238 OH TYR A 78 10.235 -10.823 -10.920 1.00 0.80 O ATOM 0 H TYR A 78 7.652 -7.076 -15.135 1.00 0.56 H new ATOM 0 HA TYR A 78 6.656 -5.937 -12.669 1.00 0.48 H new ATOM 0 HB2 TYR A 78 9.327 -5.688 -14.105 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.982 -5.052 -12.509 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.011 -6.902 -10.789 1.00 0.47 H new ATOM 0 HD2 TYR A 78 10.350 -7.773 -14.244 1.00 0.70 H new ATOM 0 HE1 TYR A 78 8.663 -9.056 -9.808 1.00 0.54 H new ATOM 0 HE2 TYR A 78 11.002 -9.927 -13.258 1.00 0.79 H new ATOM 0 HH TYR A 78 10.828 -11.301 -11.537 1.00 0.80 H new ATOM 1248 N TRP A 79 6.135 -3.630 -13.346 1.00 0.47 N ATOM 1249 CA TRP A 79 5.859 -2.241 -13.645 1.00 0.51 C ATOM 1250 C TRP A 79 6.585 -1.370 -12.629 1.00 0.46 C ATOM 1251 O TRP A 79 6.197 -1.295 -11.464 1.00 0.45 O ATOM 1252 CB TRP A 79 4.354 -1.973 -13.598 1.00 0.61 C ATOM 1253 CG TRP A 79 3.995 -0.575 -14.001 1.00 0.72 C ATOM 1254 CD1 TRP A 79 4.227 0.017 -15.209 1.00 1.33 C ATOM 1255 CD2 TRP A 79 3.342 0.407 -13.191 1.00 1.44 C ATOM 1256 NE1 TRP A 79 3.768 1.312 -15.193 1.00 1.23 N ATOM 1257 CE2 TRP A 79 3.217 1.573 -13.968 1.00 1.32 C ATOM 1258 CE3 TRP A 79 2.853 0.416 -11.881 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 2.622 2.733 -13.480 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 2.262 1.567 -11.399 1.00 3.53 C ATOM 1261 CH2 TRP A 79 2.151 2.713 -12.196 1.00 3.20 C ATOM 0 H TRP A 79 5.652 -3.984 -12.520 1.00 0.47 H new ATOM 0 HA TRP A 79 6.210 -2.005 -14.649 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.845 -2.677 -14.256 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.989 -2.159 -12.588 1.00 0.61 H new ATOM 0 HD1 TRP A 79 4.701 -0.462 -16.053 1.00 1.33 H new ATOM 0 HE1 TRP A 79 3.828 1.972 -15.969 1.00 1.23 H new ATOM 0 HE3 TRP A 79 2.936 -0.462 -11.257 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 2.535 3.618 -14.094 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 1.879 1.584 -10.389 1.00 3.53 H new ATOM 0 HH2 TRP A 79 1.685 3.598 -11.789 1.00 3.20 H new ATOM 1272 N ILE A 80 7.650 -0.728 -13.064 1.00 0.46 N ATOM 1273 CA ILE A 80 8.514 -0.002 -12.151 1.00 0.42 C ATOM 1274 C ILE A 80 8.167 1.488 -12.140 1.00 0.42 C ATOM 1275 O ILE A 80 8.189 2.151 -13.177 1.00 0.49 O ATOM 1276 CB ILE A 80 10.014 -0.204 -12.495 1.00 0.43 C ATOM 1277 CG1 ILE A 80 10.372 -1.701 -12.575 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.891 0.470 -11.452 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.997 -2.375 -13.882 1.00 0.55 C ATOM 0 H ILE A 80 7.939 -0.693 -14.042 1.00 0.46 H new ATOM 0 HA ILE A 80 8.343 -0.408 -11.154 1.00 0.42 H new ATOM 0 HB ILE A 80 10.193 0.249 -13.470 1.00 0.43 H new ATOM 0 HG12 ILE A 80 11.445 -1.813 -12.420 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.875 -2.223 -11.757 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.940 0.320 -11.707 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.673 1.538 -11.428 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.690 0.037 -10.472 1.00 0.40 H new ATOM 0 HD11 ILE A 80 10.287 -3.425 -13.846 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.920 -2.301 -14.034 1.00 0.55 H new ATOM 0 HD13 ILE A 80 10.514 -1.884 -14.706 1.00 0.55 H new ATOM 1291 N ARG A 81 7.846 2.001 -10.955 1.00 0.41 N ATOM 1292 CA ARG A 81 7.405 3.385 -10.794 1.00 0.44 C ATOM 1293 C ARG A 81 8.192 4.055 -9.661 1.00 0.35 C ATOM 1294 O ARG A 81 8.756 3.372 -8.809 1.00 0.42 O ATOM 1295 CB ARG A 81 5.901 3.411 -10.494 1.00 0.57 C ATOM 1296 CG ARG A 81 5.236 4.754 -10.767 1.00 1.21 C ATOM 1297 CD ARG A 81 5.326 5.126 -12.238 1.00 1.97 C ATOM 1298 NE ARG A 81 4.716 6.423 -12.521 1.00 2.78 N ATOM 1299 CZ ARG A 81 5.394 7.481 -12.968 1.00 3.79 C ATOM 1300 NH1 ARG A 81 6.699 7.391 -13.201 1.00 4.16 N ATOM 1301 NH2 ARG A 81 4.761 8.624 -13.204 1.00 4.76 N ATOM 0 H ARG A 81 7.884 1.473 -10.083 1.00 0.41 H new ATOM 0 HA ARG A 81 7.590 3.937 -11.716 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.408 2.645 -11.093 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.745 3.146 -9.448 1.00 0.57 H new ATOM 0 HG2 ARG A 81 4.190 4.713 -10.464 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.712 5.527 -10.164 1.00 1.21 H new ATOM 0 HD2 ARG A 81 6.373 5.145 -12.542 1.00 1.97 H new ATOM 0 HD3 ARG A 81 4.835 4.358 -12.835 1.00 1.97 H new ATOM 0 HE ARG A 81 3.713 6.525 -12.368 1.00 2.78 H new ATOM 0 HH11 ARG A 81 7.187 6.510 -13.038 1.00 4.16 H new ATOM 0 HH12 ARG A 81 7.213 8.203 -13.543 1.00 4.16 H new ATOM 0 HH21 ARG A 81 3.756 8.693 -13.043 1.00 4.76 H new ATOM 0 HH22 ARG A 81 5.280 9.433 -13.546 1.00 4.76 H new ATOM 1315 N THR A 82 8.218 5.386 -9.645 1.00 0.41 N ATOM 1316 CA THR A 82 9.042 6.122 -8.691 1.00 0.35 C ATOM 1317 C THR A 82 8.254 6.442 -7.423 1.00 0.32 C ATOM 1318 O THR A 82 7.143 6.959 -7.490 1.00 0.36 O ATOM 1319 CB THR A 82 9.572 7.441 -9.306 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.961 7.216 -10.667 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.771 7.988 -8.524 1.00 0.36 C ATOM 0 H THR A 82 7.679 5.975 -10.280 1.00 0.41 H new ATOM 0 HA THR A 82 9.889 5.483 -8.439 1.00 0.35 H new ATOM 0 HB THR A 82 8.769 8.176 -9.258 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.294 8.052 -11.054 1.00 0.45 H new ATOM 0 HG21 THR A 82 11.115 8.914 -8.986 1.00 0.36 H new ATOM 0 HG22 THR A 82 10.474 8.185 -7.494 1.00 0.36 H new ATOM 0 HG23 THR A 82 11.578 7.255 -8.536 1.00 0.36 H new ATOM 1329 N PHE A 83 8.830 6.109 -6.283 1.00 0.27 N ATOM 1330 CA PHE A 83 8.283 6.486 -4.990 1.00 0.26 C ATOM 1331 C PHE A 83 9.244 7.435 -4.307 1.00 0.26 C ATOM 1332 O PHE A 83 10.412 7.128 -4.129 1.00 0.36 O ATOM 1333 CB PHE A 83 8.057 5.260 -4.097 1.00 0.26 C ATOM 1334 CG PHE A 83 6.738 4.565 -4.291 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.551 5.179 -3.924 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.690 3.286 -4.815 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.340 4.529 -4.083 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.487 2.626 -4.972 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.307 3.249 -4.607 1.00 0.42 C ATOM 0 H PHE A 83 9.693 5.568 -6.226 1.00 0.27 H new ATOM 0 HA PHE A 83 7.319 6.968 -5.151 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.858 4.544 -4.280 1.00 0.26 H new ATOM 0 HB3 PHE A 83 8.138 5.569 -3.055 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.571 6.176 -3.509 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.607 2.796 -5.106 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.421 5.020 -3.798 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.468 1.626 -5.379 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.364 2.738 -4.731 1.00 0.42 H new ATOM 1349 N VAL A 84 8.751 8.582 -3.926 1.00 0.24 N ATOM 1350 CA VAL A 84 9.590 9.620 -3.363 1.00 0.24 C ATOM 1351 C VAL A 84 8.983 10.142 -2.068 1.00 0.24 C ATOM 1352 O VAL A 84 7.779 10.391 -1.995 1.00 0.27 O ATOM 1353 CB VAL A 84 9.775 10.791 -4.358 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.644 10.384 -5.546 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.425 11.277 -4.843 1.00 0.29 C ATOM 0 H VAL A 84 7.764 8.828 -3.994 1.00 0.24 H new ATOM 0 HA VAL A 84 10.568 9.184 -3.157 1.00 0.24 H new ATOM 0 HB VAL A 84 10.284 11.600 -3.834 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.753 11.230 -6.224 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.627 10.076 -5.189 1.00 0.30 H new ATOM 0 HG13 VAL A 84 10.173 9.554 -6.074 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.565 12.101 -5.543 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.903 10.461 -5.343 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.835 11.619 -3.993 1.00 0.29 H new ATOM 1365 N PRO A 85 9.799 10.277 -1.017 1.00 0.35 N ATOM 1366 CA PRO A 85 9.356 10.844 0.256 1.00 0.34 C ATOM 1367 C PRO A 85 8.808 12.253 0.080 1.00 0.38 C ATOM 1368 O PRO A 85 9.324 13.036 -0.720 1.00 0.52 O ATOM 1369 CB PRO A 85 10.631 10.865 1.108 1.00 0.49 C ATOM 1370 CG PRO A 85 11.515 9.841 0.491 1.00 0.78 C ATOM 1371 CD PRO A 85 11.216 9.886 -0.979 1.00 0.56 C ATOM 0 HA PRO A 85 8.547 10.268 0.706 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.098 11.850 1.097 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.415 10.626 2.149 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.565 10.061 0.685 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.315 8.851 0.902 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.848 10.607 -1.497 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.381 8.919 -1.454 1.00 0.56 H new ATOM 1379 N SER A 86 7.749 12.553 0.814 1.00 0.34 N ATOM 1380 CA SER A 86 7.122 13.867 0.780 1.00 0.46 C ATOM 1381 C SER A 86 8.002 14.896 1.497 1.00 0.58 C ATOM 1382 O SER A 86 9.223 14.757 1.545 1.00 0.93 O ATOM 1383 CB SER A 86 5.759 13.796 1.465 1.00 0.53 C ATOM 1384 OG SER A 86 5.906 13.421 2.825 1.00 1.27 O ATOM 0 H SER A 86 7.299 11.894 1.450 1.00 0.34 H new ATOM 0 HA SER A 86 6.998 14.173 -0.259 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.262 14.764 1.400 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.123 13.076 0.950 1.00 0.53 H new ATOM 0 HG SER A 86 6.178 12.481 2.878 1.00 1.27 H new ATOM 1390 N SER A 87 7.379 15.911 2.080 1.00 0.75 N ATOM 1391 CA SER A 87 8.111 16.896 2.859 1.00 0.90 C ATOM 1392 C SER A 87 8.618 16.287 4.169 1.00 0.79 C ATOM 1393 O SER A 87 9.481 16.858 4.836 1.00 0.89 O ATOM 1394 CB SER A 87 7.223 18.103 3.142 1.00 1.12 C ATOM 1395 OG SER A 87 6.714 18.650 1.935 1.00 1.70 O ATOM 0 H SER A 87 6.373 16.072 2.028 1.00 0.75 H new ATOM 0 HA SER A 87 8.976 17.221 2.280 1.00 0.90 H new ATOM 0 HB2 SER A 87 6.397 17.808 3.789 1.00 1.12 H new ATOM 0 HB3 SER A 87 7.793 18.862 3.678 1.00 1.12 H new ATOM 0 HG SER A 87 6.146 19.422 2.140 1.00 1.70 H new ATOM 1401 N ARG A 88 8.082 15.127 4.534 1.00 0.64 N ATOM 1402 CA ARG A 88 8.524 14.434 5.735 1.00 0.58 C ATOM 1403 C ARG A 88 8.806 12.968 5.434 1.00 0.49 C ATOM 1404 O ARG A 88 7.931 12.241 4.954 1.00 0.46 O ATOM 1405 CB ARG A 88 7.504 14.567 6.882 1.00 0.66 C ATOM 1406 CG ARG A 88 6.044 14.396 6.478 1.00 0.75 C ATOM 1407 CD ARG A 88 5.465 15.692 5.929 1.00 1.11 C ATOM 1408 NE ARG A 88 4.040 15.588 5.634 1.00 1.51 N ATOM 1409 CZ ARG A 88 3.240 16.636 5.446 1.00 1.84 C ATOM 1410 NH1 ARG A 88 3.711 17.872 5.572 1.00 1.95 N ATOM 1411 NH2 ARG A 88 1.959 16.447 5.155 1.00 2.59 N ATOM 0 H ARG A 88 7.344 14.650 4.017 1.00 0.64 H new ATOM 0 HA ARG A 88 9.449 14.908 6.065 1.00 0.58 H new ATOM 0 HB2 ARG A 88 7.742 13.826 7.645 1.00 0.66 H new ATOM 0 HB3 ARG A 88 7.624 15.548 7.341 1.00 0.66 H new ATOM 0 HG2 ARG A 88 5.962 13.612 5.726 1.00 0.75 H new ATOM 0 HG3 ARG A 88 5.462 14.072 7.341 1.00 0.75 H new ATOM 0 HD2 ARG A 88 5.625 16.492 6.651 1.00 1.11 H new ATOM 0 HD3 ARG A 88 6.001 15.970 5.021 1.00 1.11 H new ATOM 0 HE ARG A 88 3.631 14.656 5.568 1.00 1.51 H new ATOM 0 HH11 ARG A 88 4.690 18.022 5.814 1.00 1.95 H new ATOM 0 HH12 ARG A 88 3.093 18.670 5.427 1.00 1.95 H new ATOM 0 HH21 ARG A 88 1.588 15.500 5.076 1.00 2.59 H new ATOM 0 HH22 ARG A 88 1.345 17.249 5.011 1.00 2.59 H new ATOM 1425 N PRO A 89 10.055 12.528 5.688 1.00 0.49 N ATOM 1426 CA PRO A 89 10.474 11.135 5.489 1.00 0.48 C ATOM 1427 C PRO A 89 9.553 10.153 6.203 1.00 0.48 C ATOM 1428 O PRO A 89 9.401 10.201 7.423 1.00 0.62 O ATOM 1429 CB PRO A 89 11.878 11.093 6.095 1.00 0.58 C ATOM 1430 CG PRO A 89 12.370 12.493 6.000 1.00 0.70 C ATOM 1431 CD PRO A 89 11.162 13.367 6.186 1.00 0.56 C ATOM 0 HA PRO A 89 10.445 10.844 4.439 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.853 10.751 7.130 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.525 10.407 5.548 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.120 12.696 6.764 1.00 0.70 H new ATOM 0 HG3 PRO A 89 12.840 12.677 5.034 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.021 13.640 7.232 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.247 14.296 5.623 1.00 0.56 H new ATOM 1439 N GLY A 90 8.949 9.265 5.433 1.00 0.41 N ATOM 1440 CA GLY A 90 7.947 8.373 5.966 1.00 0.42 C ATOM 1441 C GLY A 90 6.664 8.476 5.176 1.00 0.38 C ATOM 1442 O GLY A 90 6.106 7.469 4.754 1.00 0.43 O ATOM 0 H GLY A 90 9.138 9.146 4.438 1.00 0.41 H new ATOM 0 HA2 GLY A 90 8.315 7.347 5.939 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.756 8.616 7.011 1.00 0.42 H new ATOM 1446 N GLN A 91 6.209 9.706 4.969 1.00 0.33 N ATOM 1447 CA GLN A 91 5.067 9.964 4.106 1.00 0.31 C ATOM 1448 C GLN A 91 5.540 9.941 2.662 1.00 0.26 C ATOM 1449 O GLN A 91 6.420 10.717 2.285 1.00 0.30 O ATOM 1450 CB GLN A 91 4.432 11.319 4.432 1.00 0.39 C ATOM 1451 CG GLN A 91 3.269 11.675 3.516 1.00 0.61 C ATOM 1452 CD GLN A 91 2.642 13.015 3.845 1.00 0.61 C ATOM 1453 OE1 GLN A 91 2.622 13.439 4.998 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.132 13.697 2.831 1.00 1.03 N ATOM 0 H GLN A 91 6.616 10.541 5.389 1.00 0.33 H new ATOM 0 HA GLN A 91 4.310 9.196 4.266 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.083 11.310 5.464 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.193 12.096 4.360 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.618 11.688 2.484 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.508 10.898 3.586 1.00 0.61 H new ATOM 0 HE21 GLN A 91 2.168 13.311 1.887 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.703 14.608 2.993 1.00 1.03 H new ATOM 1463 N PHE A 92 4.984 9.052 1.862 1.00 0.24 N ATOM 1464 CA PHE A 92 5.488 8.843 0.519 1.00 0.24 C ATOM 1465 C PHE A 92 4.550 9.393 -0.529 1.00 0.26 C ATOM 1466 O PHE A 92 3.328 9.336 -0.395 1.00 0.35 O ATOM 1467 CB PHE A 92 5.731 7.360 0.251 1.00 0.31 C ATOM 1468 CG PHE A 92 6.783 6.759 1.133 1.00 0.33 C ATOM 1469 CD1 PHE A 92 8.059 7.296 1.171 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.498 5.653 1.917 1.00 0.42 C ATOM 1471 CE1 PHE A 92 9.033 6.741 1.977 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.467 5.096 2.726 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.735 5.640 2.755 1.00 0.48 C ATOM 0 H PHE A 92 4.188 8.466 2.116 1.00 0.24 H new ATOM 0 HA PHE A 92 6.432 9.383 0.453 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.797 6.816 0.390 1.00 0.31 H new ATOM 0 HB3 PHE A 92 6.024 7.230 -0.791 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.295 8.158 0.564 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.508 5.223 1.895 1.00 0.42 H new ATOM 0 HE1 PHE A 92 10.025 7.167 1.999 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.234 4.236 3.336 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.495 5.204 3.387 1.00 0.48 H new ATOM 1483 N THR A 93 5.156 9.931 -1.562 1.00 0.23 N ATOM 1484 CA THR A 93 4.458 10.384 -2.741 1.00 0.27 C ATOM 1485 C THR A 93 5.017 9.616 -3.935 1.00 0.26 C ATOM 1486 O THR A 93 5.949 8.825 -3.774 1.00 0.25 O ATOM 1487 CB THR A 93 4.642 11.908 -2.957 1.00 0.35 C ATOM 1488 OG1 THR A 93 6.029 12.220 -3.135 1.00 1.29 O ATOM 1489 CG2 THR A 93 4.114 12.704 -1.771 1.00 0.92 C ATOM 0 H THR A 93 6.166 10.068 -1.606 1.00 0.23 H new ATOM 0 HA THR A 93 3.390 10.201 -2.625 1.00 0.27 H new ATOM 0 HB THR A 93 4.077 12.181 -3.849 1.00 0.35 H new ATOM 0 HG1 THR A 93 6.573 11.616 -2.588 1.00 1.29 H new ATOM 0 HG21 THR A 93 4.258 13.769 -1.954 1.00 0.92 H new ATOM 0 HG22 THR A 93 3.052 12.499 -1.639 1.00 0.92 H new ATOM 0 HG23 THR A 93 4.654 12.415 -0.869 1.00 0.92 H new ATOM 1497 N LEU A 94 4.475 9.830 -5.118 1.00 0.34 N ATOM 1498 CA LEU A 94 5.032 9.206 -6.304 1.00 0.37 C ATOM 1499 C LEU A 94 6.012 10.154 -6.954 1.00 0.34 C ATOM 1500 O LEU A 94 5.775 11.364 -6.948 1.00 0.39 O ATOM 1501 CB LEU A 94 3.934 8.862 -7.316 1.00 0.54 C ATOM 1502 CG LEU A 94 3.125 7.602 -7.029 1.00 0.50 C ATOM 1503 CD1 LEU A 94 4.041 6.395 -7.046 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.412 7.713 -5.695 1.00 0.75 C ATOM 0 H LEU A 94 3.661 10.422 -5.284 1.00 0.34 H new ATOM 0 HA LEU A 94 5.531 8.285 -6.002 1.00 0.37 H new ATOM 0 HB2 LEU A 94 3.246 9.705 -7.375 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.394 8.757 -8.299 1.00 0.54 H new ATOM 0 HG LEU A 94 2.367 7.485 -7.804 1.00 0.50 H new ATOM 0 HD11 LEU A 94 3.461 5.495 -6.841 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.511 6.308 -8.026 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.811 6.512 -6.284 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.841 6.803 -5.511 1.00 0.75 H new ATOM 0 HD22 LEU A 94 3.146 7.848 -4.900 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.736 8.568 -5.714 1.00 0.75 H new ATOM 1516 N GLY A 95 7.119 9.600 -7.470 1.00 0.32 N ATOM 1517 CA GLY A 95 8.197 10.407 -8.035 1.00 0.34 C ATOM 1518 C GLY A 95 7.663 11.573 -8.847 1.00 0.46 C ATOM 1519 O GLY A 95 8.153 12.700 -8.743 1.00 0.88 O ATOM 0 H GLY A 95 7.286 8.594 -7.505 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.829 10.784 -7.231 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.826 9.781 -8.668 1.00 0.34 H new ATOM 1523 N ASN A 96 6.630 11.291 -9.627 1.00 0.57 N ATOM 1524 CA ASN A 96 5.834 12.325 -10.270 1.00 0.71 C ATOM 1525 C ASN A 96 4.354 11.930 -10.229 1.00 0.61 C ATOM 1526 O ASN A 96 3.788 11.474 -11.223 1.00 0.66 O ATOM 1527 CB ASN A 96 6.302 12.565 -11.712 1.00 0.98 C ATOM 1528 CG ASN A 96 5.500 13.647 -12.415 1.00 1.89 C ATOM 1529 OD1 ASN A 96 4.896 14.507 -11.777 1.00 2.72 O ATOM 1530 ND2 ASN A 96 5.501 13.621 -13.736 1.00 2.42 N ATOM 0 H ASN A 96 6.321 10.341 -9.832 1.00 0.57 H new ATOM 0 HA ASN A 96 5.965 13.261 -9.727 1.00 0.71 H new ATOM 0 HB2 ASN A 96 7.355 12.845 -11.706 1.00 0.98 H new ATOM 0 HB3 ASN A 96 6.222 11.635 -12.275 1.00 0.98 H new ATOM 0 HD21 ASN A 96 4.989 14.330 -14.260 1.00 2.42 H new ATOM 0 HD22 ASN A 96 6.014 12.892 -14.231 1.00 2.42 H new ATOM 1537 N ILE A 97 3.742 12.088 -9.055 1.00 0.55 N ATOM 1538 CA ILE A 97 2.332 11.737 -8.848 1.00 0.57 C ATOM 1539 C ILE A 97 1.414 12.748 -9.514 1.00 0.74 C ATOM 1540 O ILE A 97 0.343 12.407 -10.010 1.00 0.88 O ATOM 1541 CB ILE A 97 1.965 11.676 -7.338 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.473 11.374 -7.153 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.328 12.984 -6.637 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.093 9.954 -7.500 1.00 1.20 C ATOM 0 H ILE A 97 4.203 12.460 -8.225 1.00 0.55 H new ATOM 0 HA ILE A 97 2.195 10.752 -9.294 1.00 0.57 H new ATOM 0 HB ILE A 97 2.542 10.869 -6.886 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.197 11.572 -6.117 1.00 0.68 H new ATOM 0 HG13 ILE A 97 -0.107 12.058 -7.773 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.062 12.917 -5.582 1.00 0.60 H new ATOM 0 HG22 ILE A 97 3.399 13.162 -6.731 1.00 0.60 H new ATOM 0 HG23 ILE A 97 1.782 13.807 -7.098 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -0.977 9.815 -7.344 1.00 1.20 H new ATOM 0 HD12 ILE A 97 0.336 9.757 -8.544 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.645 9.263 -6.862 1.00 1.20 H new ATOM 1556 N HIS A 98 1.851 13.992 -9.544 1.00 0.85 N ATOM 1557 CA HIS A 98 0.987 15.079 -9.968 1.00 1.12 C ATOM 1558 C HIS A 98 0.824 15.104 -11.489 1.00 1.14 C ATOM 1559 O HIS A 98 0.193 16.002 -12.038 1.00 1.38 O ATOM 1560 CB HIS A 98 1.507 16.416 -9.419 1.00 1.38 C ATOM 1561 CG HIS A 98 2.723 16.962 -10.113 1.00 2.01 C ATOM 1562 ND1 HIS A 98 2.657 17.899 -11.122 1.00 2.88 N ATOM 1563 CD2 HIS A 98 4.037 16.705 -9.931 1.00 2.69 C ATOM 1564 CE1 HIS A 98 3.879 18.187 -11.529 1.00 3.63 C ATOM 1565 NE2 HIS A 98 4.737 17.477 -10.823 1.00 3.56 N ATOM 0 H HIS A 98 2.795 14.276 -9.281 1.00 0.85 H new ATOM 0 HA HIS A 98 -0.007 14.913 -9.554 1.00 1.12 H new ATOM 0 HB2 HIS A 98 0.708 17.154 -9.486 1.00 1.38 H new ATOM 0 HB3 HIS A 98 1.737 16.291 -8.361 1.00 1.38 H new ATOM 0 HD2 HIS A 98 4.459 16.017 -9.214 1.00 2.69 H new ATOM 0 HE1 HIS A 98 4.134 18.888 -12.310 1.00 3.63 H new ATOM 0 HE2 HIS A 98 5.752 17.498 -10.923 1.00 3.56 H new ATOM 1574 N SER A 99 1.386 14.104 -12.160 1.00 0.99 N ATOM 1575 CA SER A 99 1.192 13.948 -13.592 1.00 1.16 C ATOM 1576 C SER A 99 -0.157 13.296 -13.866 1.00 1.22 C ATOM 1577 O SER A 99 -0.692 13.373 -14.973 1.00 1.30 O ATOM 1578 CB SER A 99 2.321 13.109 -14.197 1.00 1.24 C ATOM 1579 OG SER A 99 2.444 11.859 -13.535 1.00 1.79 O ATOM 0 H SER A 99 1.978 13.392 -11.733 1.00 0.99 H new ATOM 0 HA SER A 99 1.209 14.934 -14.057 1.00 1.16 H new ATOM 0 HB2 SER A 99 2.127 12.944 -15.257 1.00 1.24 H new ATOM 0 HB3 SER A 99 3.262 13.655 -14.126 1.00 1.24 H new ATOM 0 HG SER A 99 2.976 11.971 -12.720 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.699 12.656 -12.840 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.989 11.993 -12.939 1.00 1.30 C ATOM 1587 C TYR A 100 -3.119 13.013 -12.767 1.00 1.17 C ATOM 1588 O TYR A 100 -3.126 13.801 -11.819 1.00 1.30 O ATOM 1589 CB TYR A 100 -2.061 10.854 -11.922 1.00 1.63 C ATOM 1590 CG TYR A 100 -1.008 9.789 -12.165 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -1.207 8.786 -13.108 1.00 3.75 C ATOM 1592 CD2 TYR A 100 0.196 9.802 -11.473 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -0.240 7.827 -13.348 1.00 4.83 C ATOM 1594 CE2 TYR A 100 1.170 8.853 -11.712 1.00 3.91 C ATOM 1595 CZ TYR A 100 0.949 7.867 -12.649 1.00 4.89 C ATOM 1596 OH TYR A 100 1.925 6.923 -12.894 1.00 5.98 O ATOM 0 H TYR A 100 -0.260 12.582 -11.922 1.00 1.23 H new ATOM 0 HA TYR A 100 -2.109 11.552 -13.929 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.937 11.260 -10.918 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -3.050 10.398 -11.962 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -2.133 8.756 -13.663 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.374 10.569 -10.734 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -0.414 7.051 -14.079 1.00 4.83 H new ATOM 0 HE2 TYR A 100 2.102 8.883 -11.167 1.00 3.91 H new ATOM 0 HH TYR A 100 1.868 6.628 -13.827 1.00 5.98 H new ATOM 1606 N PRO A 101 -4.093 12.983 -13.690 1.00 1.09 N ATOM 1607 CA PRO A 101 -5.020 14.103 -13.940 1.00 1.04 C ATOM 1608 C PRO A 101 -5.897 14.517 -12.758 1.00 0.89 C ATOM 1609 O PRO A 101 -5.929 15.692 -12.393 1.00 0.94 O ATOM 1610 CB PRO A 101 -5.904 13.588 -15.085 1.00 1.19 C ATOM 1611 CG PRO A 101 -5.765 12.105 -15.046 1.00 1.28 C ATOM 1612 CD PRO A 101 -4.368 11.841 -14.569 1.00 1.21 C ATOM 0 HA PRO A 101 -4.449 15.006 -14.156 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.942 13.890 -14.948 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -5.579 13.989 -16.045 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -6.499 11.660 -14.374 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -5.931 11.670 -16.032 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -4.297 10.894 -14.033 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -3.662 11.792 -15.398 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.601 13.572 -12.148 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.602 13.936 -11.147 1.00 0.74 C ATOM 1622 C GLN A 102 -7.119 13.642 -9.738 1.00 0.63 C ATOM 1623 O GLN A 102 -7.874 13.767 -8.774 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.925 13.206 -11.405 1.00 0.83 C ATOM 1625 CG GLN A 102 -8.905 11.742 -10.997 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.228 11.044 -11.250 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -10.592 10.112 -10.538 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -10.950 11.478 -12.271 1.00 1.73 N ATOM 0 H GLN A 102 -6.504 12.571 -12.321 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.766 15.010 -11.235 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -9.722 13.714 -10.862 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -9.167 13.275 -12.466 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -8.117 11.227 -11.546 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -8.657 11.668 -9.938 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -10.614 12.255 -12.840 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.843 11.035 -12.489 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.864 13.244 -9.614 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.307 12.928 -8.318 1.00 0.51 C ATOM 1639 C ILE A 103 -5.078 14.206 -7.522 1.00 0.52 C ATOM 1640 O ILE A 103 -4.222 15.032 -7.846 1.00 0.65 O ATOM 1641 CB ILE A 103 -4.003 12.093 -8.419 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -4.315 10.662 -8.881 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.274 12.060 -7.078 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.828 10.550 -10.303 1.00 1.10 C ATOM 0 H ILE A 103 -5.217 13.134 -10.395 1.00 0.60 H new ATOM 0 HA ILE A 103 -6.032 12.306 -7.793 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.355 12.569 -9.155 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -3.411 10.060 -8.787 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -5.056 10.231 -8.208 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.363 11.469 -7.173 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -3.018 13.076 -6.778 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.920 11.611 -6.324 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -5.020 9.503 -10.539 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.752 11.120 -10.403 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -4.081 10.946 -10.991 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.894 14.354 -6.494 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.890 15.524 -5.628 1.00 0.48 C ATOM 1658 C GLN A 104 -4.632 15.529 -4.777 1.00 0.50 C ATOM 1659 O GLN A 104 -4.025 16.571 -4.527 1.00 0.63 O ATOM 1660 CB GLN A 104 -7.139 15.467 -4.747 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.338 14.922 -5.503 1.00 0.43 C ATOM 1662 CD GLN A 104 -9.058 15.980 -6.321 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.614 15.691 -7.375 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -9.073 17.210 -5.837 1.00 0.98 N ATOM 0 H GLN A 104 -6.589 13.655 -6.232 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.900 16.439 -6.220 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.942 14.840 -3.877 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.367 16.466 -4.375 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -8.009 14.121 -6.165 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -9.038 14.481 -4.793 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -8.601 17.418 -4.957 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.557 17.951 -6.343 1.00 0.98 H new ATOM 1673 N SER A 105 -4.252 14.335 -4.354 1.00 0.40 N ATOM 1674 CA SER A 105 -3.054 14.120 -3.575 1.00 0.41 C ATOM 1675 C SER A 105 -2.826 12.624 -3.428 1.00 0.36 C ATOM 1676 O SER A 105 -3.775 11.837 -3.524 1.00 0.39 O ATOM 1677 CB SER A 105 -3.178 14.778 -2.196 1.00 0.48 C ATOM 1678 OG SER A 105 -4.361 14.362 -1.531 1.00 1.13 O ATOM 0 H SER A 105 -4.776 13.481 -4.546 1.00 0.40 H new ATOM 0 HA SER A 105 -2.205 14.574 -4.086 1.00 0.41 H new ATOM 0 HB2 SER A 105 -2.309 14.523 -1.590 1.00 0.48 H new ATOM 0 HB3 SER A 105 -3.183 15.862 -2.307 1.00 0.48 H new ATOM 0 HG SER A 105 -5.033 15.074 -1.582 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.580 12.227 -3.242 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.273 10.839 -2.962 1.00 0.34 C ATOM 1686 C TYR A 106 -0.203 10.760 -1.884 1.00 0.36 C ATOM 1687 O TYR A 106 0.949 11.132 -2.113 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.816 10.089 -4.222 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.838 8.589 -4.033 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.242 7.934 -3.471 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.950 7.838 -4.384 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.221 6.569 -3.266 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.979 6.470 -4.188 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.890 5.840 -3.629 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.915 4.479 -3.420 1.00 0.52 O ATOM 0 H TYR A 106 -0.769 12.844 -3.280 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.185 10.356 -2.610 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.463 10.358 -5.057 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.193 10.406 -4.485 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.117 8.500 -3.187 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.808 8.330 -4.818 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.073 6.074 -2.823 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.851 5.899 -4.472 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.659 4.253 -2.824 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.597 10.293 -0.713 1.00 0.34 N ATOM 1706 CA ASP A 107 0.321 10.152 0.404 1.00 0.36 C ATOM 1707 C ASP A 107 0.126 8.810 1.085 1.00 0.38 C ATOM 1708 O ASP A 107 -0.992 8.386 1.357 1.00 0.46 O ATOM 1709 CB ASP A 107 0.171 11.294 1.423 1.00 0.48 C ATOM 1710 CG ASP A 107 -1.270 11.613 1.780 1.00 1.27 C ATOM 1711 OD1 ASP A 107 -1.812 10.989 2.708 1.00 2.25 O ATOM 1712 OD2 ASP A 107 -1.854 12.521 1.149 1.00 1.31 O ATOM 0 H ASP A 107 -1.554 10.003 -0.510 1.00 0.34 H new ATOM 0 HA ASP A 107 1.332 10.205 0.000 1.00 0.36 H new ATOM 0 HB2 ASP A 107 0.711 11.030 2.332 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.643 12.191 1.021 1.00 0.48 H new ATOM 1717 N VAL A 108 1.230 8.128 1.305 1.00 0.38 N ATOM 1718 CA VAL A 108 1.233 6.848 1.996 1.00 0.44 C ATOM 1719 C VAL A 108 2.399 6.790 2.961 1.00 0.47 C ATOM 1720 O VAL A 108 3.523 7.096 2.594 1.00 0.58 O ATOM 1721 CB VAL A 108 1.312 5.658 1.004 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.781 6.132 -0.351 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.229 4.554 1.515 1.00 0.70 C ATOM 0 H VAL A 108 2.154 8.443 1.011 1.00 0.38 H new ATOM 0 HA VAL A 108 0.294 6.763 2.543 1.00 0.44 H new ATOM 0 HB VAL A 108 0.308 5.243 0.914 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.831 5.285 -1.035 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.081 6.872 -0.740 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.770 6.582 -0.257 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.256 3.740 0.791 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.235 4.951 1.653 1.00 0.70 H new ATOM 0 HG23 VAL A 108 1.853 4.180 2.467 1.00 0.70 H new ATOM 1733 N GLN A 109 2.138 6.405 4.187 1.00 0.44 N ATOM 1734 CA GLN A 109 3.198 6.292 5.162 1.00 0.50 C ATOM 1735 C GLN A 109 3.005 5.042 5.995 1.00 0.30 C ATOM 1736 O GLN A 109 1.882 4.568 6.188 1.00 0.29 O ATOM 1737 CB GLN A 109 3.261 7.536 6.040 1.00 0.85 C ATOM 1738 CG GLN A 109 2.008 7.773 6.842 1.00 0.92 C ATOM 1739 CD GLN A 109 2.240 7.610 8.326 1.00 2.08 C ATOM 1740 OE1 GLN A 109 2.524 8.707 9.005 1.00 2.86 O flip ATOM 1741 NE2 GLN A 109 2.146 6.512 8.859 1.00 2.81 N flip ATOM 0 H GLN A 109 1.208 6.166 4.532 1.00 0.44 H new ATOM 0 HA GLN A 109 4.150 6.212 4.638 1.00 0.50 H new ATOM 0 HB2 GLN A 109 4.107 7.447 6.722 1.00 0.85 H new ATOM 0 HB3 GLN A 109 3.449 8.406 5.410 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.636 8.778 6.643 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.235 7.077 6.518 1.00 0.92 H new ATOM 0 HE21 GLN A 109 1.925 5.690 8.297 1.00 2.81 H new ATOM 0 HE22 GLN A 109 2.289 6.419 9.865 1.00 2.81 H new ATOM 1750 N VAL A 110 4.106 4.501 6.457 1.00 0.33 N ATOM 1751 CA VAL A 110 4.100 3.241 7.162 1.00 0.27 C ATOM 1752 C VAL A 110 4.178 3.473 8.675 1.00 0.30 C ATOM 1753 O VAL A 110 4.936 4.326 9.145 1.00 0.41 O ATOM 1754 CB VAL A 110 5.291 2.378 6.689 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.609 3.037 7.049 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.222 0.974 7.260 1.00 0.77 C ATOM 0 H VAL A 110 5.030 4.920 6.355 1.00 0.33 H new ATOM 0 HA VAL A 110 3.169 2.717 6.945 1.00 0.27 H new ATOM 0 HB VAL A 110 5.229 2.298 5.604 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.434 2.412 6.707 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.670 4.014 6.569 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.671 3.159 8.130 1.00 0.76 H new ATOM 0 HG21 VAL A 110 6.075 0.395 6.906 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.243 1.023 8.349 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.299 0.494 6.936 1.00 0.77 H new ATOM 1766 N ALA A 111 3.377 2.726 9.425 1.00 0.29 N ATOM 1767 CA ALA A 111 3.376 2.823 10.880 1.00 0.36 C ATOM 1768 C ALA A 111 4.494 1.975 11.471 1.00 0.37 C ATOM 1769 O ALA A 111 5.214 2.402 12.374 1.00 0.44 O ATOM 1770 CB ALA A 111 2.026 2.391 11.438 1.00 0.42 C ATOM 0 H ALA A 111 2.718 2.045 9.049 1.00 0.29 H new ATOM 0 HA ALA A 111 3.549 3.862 11.159 1.00 0.36 H new ATOM 0 HB1 ALA A 111 2.040 2.469 12.525 1.00 0.42 H new ATOM 0 HB2 ALA A 111 1.244 3.036 11.038 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.827 1.359 11.150 1.00 0.42 H new ATOM 1776 N ASP A 112 4.641 0.774 10.939 1.00 0.35 N ATOM 1777 CA ASP A 112 5.695 -0.140 11.368 1.00 0.46 C ATOM 1778 C ASP A 112 6.409 -0.681 10.151 1.00 0.37 C ATOM 1779 O ASP A 112 5.800 -1.370 9.348 1.00 0.35 O ATOM 1780 CB ASP A 112 5.129 -1.315 12.178 1.00 0.67 C ATOM 1781 CG ASP A 112 4.716 -0.936 13.583 1.00 1.36 C ATOM 1782 OD1 ASP A 112 5.609 -0.768 14.444 1.00 2.20 O ATOM 1783 OD2 ASP A 112 3.499 -0.827 13.840 1.00 1.88 O ATOM 0 H ASP A 112 4.040 0.403 10.203 1.00 0.35 H new ATOM 0 HA ASP A 112 6.384 0.414 12.005 1.00 0.46 H new ATOM 0 HB2 ASP A 112 4.267 -1.726 11.653 1.00 0.67 H new ATOM 0 HB3 ASP A 112 5.878 -2.105 12.229 1.00 0.67 H new ATOM 1788 N THR A 113 7.675 -0.343 9.985 1.00 0.37 N ATOM 1789 CA THR A 113 8.438 -0.856 8.861 1.00 0.36 C ATOM 1790 C THR A 113 9.819 -1.326 9.303 1.00 0.44 C ATOM 1791 O THR A 113 10.513 -0.644 10.065 1.00 0.55 O ATOM 1792 CB THR A 113 8.565 0.187 7.725 1.00 0.37 C ATOM 1793 OG1 THR A 113 9.191 -0.413 6.585 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.387 1.402 8.168 1.00 0.51 C ATOM 0 H THR A 113 8.193 0.278 10.607 1.00 0.37 H new ATOM 0 HA THR A 113 7.888 -1.711 8.469 1.00 0.36 H new ATOM 0 HB THR A 113 7.561 0.525 7.469 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.119 0.191 5.817 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.456 2.114 7.346 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.902 1.878 9.020 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.388 1.079 8.453 1.00 0.51 H new ATOM 1802 N ASP A 114 10.183 -2.518 8.865 1.00 0.43 N ATOM 1803 CA ASP A 114 11.500 -3.070 9.116 1.00 0.57 C ATOM 1804 C ASP A 114 11.966 -3.842 7.887 1.00 0.64 C ATOM 1805 O ASP A 114 11.146 -4.325 7.109 1.00 0.61 O ATOM 1806 CB ASP A 114 11.460 -3.978 10.341 1.00 0.60 C ATOM 1807 CG ASP A 114 12.811 -4.561 10.683 1.00 1.24 C ATOM 1808 OD1 ASP A 114 13.573 -3.903 11.420 1.00 1.17 O ATOM 1809 OD2 ASP A 114 13.113 -5.679 10.220 1.00 2.10 O ATOM 0 H ASP A 114 9.572 -3.130 8.325 1.00 0.43 H new ATOM 0 HA ASP A 114 12.205 -2.262 9.314 1.00 0.57 H new ATOM 0 HB2 ASP A 114 11.087 -3.412 11.195 1.00 0.60 H new ATOM 0 HB3 ASP A 114 10.754 -4.789 10.163 1.00 0.60 H new ATOM 1814 N TYR A 115 13.277 -3.954 7.723 1.00 0.84 N ATOM 1815 CA TYR A 115 13.867 -4.581 6.540 1.00 0.99 C ATOM 1816 C TYR A 115 13.696 -6.100 6.542 1.00 0.90 C ATOM 1817 O TYR A 115 13.993 -6.763 5.549 1.00 1.07 O ATOM 1818 CB TYR A 115 15.348 -4.209 6.422 1.00 1.25 C ATOM 1819 CG TYR A 115 15.992 -3.833 7.738 1.00 1.46 C ATOM 1820 CD1 TYR A 115 16.270 -4.805 8.690 1.00 1.67 C ATOM 1821 CD2 TYR A 115 16.327 -2.516 8.026 1.00 1.77 C ATOM 1822 CE1 TYR A 115 16.861 -4.477 9.891 1.00 2.05 C ATOM 1823 CE2 TYR A 115 16.923 -2.182 9.226 1.00 2.16 C ATOM 1824 CZ TYR A 115 17.161 -3.117 10.154 1.00 2.26 C ATOM 1825 OH TYR A 115 17.784 -2.841 11.350 1.00 2.75 O ATOM 0 H TYR A 115 13.961 -3.616 8.400 1.00 0.84 H new ATOM 0 HA TYR A 115 13.331 -4.199 5.671 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.891 -5.050 5.990 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.449 -3.375 5.728 1.00 1.25 H new ATOM 0 HD1 TYR A 115 16.019 -5.835 8.486 1.00 1.67 H new ATOM 0 HD2 TYR A 115 16.118 -1.743 7.301 1.00 1.77 H new ATOM 0 HE1 TYR A 115 17.091 -5.242 10.618 1.00 2.05 H new ATOM 0 HE2 TYR A 115 17.200 -1.156 9.418 1.00 2.16 H new ATOM 0 HH TYR A 115 17.942 -1.876 11.422 1.00 2.75 H new ATOM 1835 N ASP A 116 13.256 -6.651 7.664 1.00 0.77 N ATOM 1836 CA ASP A 116 12.972 -8.079 7.749 1.00 0.74 C ATOM 1837 C ASP A 116 11.560 -8.302 8.279 1.00 0.64 C ATOM 1838 O ASP A 116 10.799 -9.116 7.751 1.00 0.66 O ATOM 1839 CB ASP A 116 13.988 -8.769 8.657 1.00 0.82 C ATOM 1840 CG ASP A 116 13.802 -10.270 8.696 1.00 1.03 C ATOM 1841 OD1 ASP A 116 14.224 -10.955 7.740 1.00 1.46 O ATOM 1842 OD2 ASP A 116 13.227 -10.772 9.685 1.00 1.40 O ATOM 0 H ASP A 116 13.088 -6.134 8.527 1.00 0.77 H new ATOM 0 HA ASP A 116 13.047 -8.510 6.750 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.996 -8.540 8.310 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.899 -8.368 9.667 1.00 0.82 H new ATOM 1847 N GLN A 117 11.227 -7.560 9.326 1.00 0.59 N ATOM 1848 CA GLN A 117 9.901 -7.584 9.938 1.00 0.50 C ATOM 1849 C GLN A 117 8.814 -7.133 8.962 1.00 0.37 C ATOM 1850 O GLN A 117 9.089 -6.734 7.828 1.00 0.39 O ATOM 1851 CB GLN A 117 9.876 -6.728 11.205 1.00 0.56 C ATOM 1852 CG GLN A 117 10.659 -7.335 12.360 1.00 1.22 C ATOM 1853 CD GLN A 117 10.007 -8.590 12.908 1.00 1.68 C ATOM 1854 OE1 GLN A 117 10.265 -9.699 12.437 1.00 2.16 O ATOM 1855 NE2 GLN A 117 9.157 -8.424 13.912 1.00 2.51 N ATOM 0 H GLN A 117 11.875 -6.917 9.781 1.00 0.59 H new ATOM 0 HA GLN A 117 9.687 -8.618 10.210 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.284 -5.743 10.977 1.00 0.56 H new ATOM 0 HB3 GLN A 117 8.841 -6.581 11.515 1.00 0.56 H new ATOM 0 HG2 GLN A 117 11.669 -7.571 12.026 1.00 1.22 H new ATOM 0 HG3 GLN A 117 10.751 -6.599 13.159 1.00 1.22 H new ATOM 0 HE21 GLN A 117 8.971 -7.488 14.273 1.00 2.51 H new ATOM 0 HE22 GLN A 117 8.689 -9.232 14.323 1.00 2.51 H new ATOM 1864 N PHE A 118 7.577 -7.176 9.424 1.00 0.30 N ATOM 1865 CA PHE A 118 6.420 -6.973 8.567 1.00 0.25 C ATOM 1866 C PHE A 118 5.963 -5.516 8.713 1.00 0.26 C ATOM 1867 O PHE A 118 6.085 -4.926 9.788 1.00 0.40 O ATOM 1868 CB PHE A 118 5.307 -7.937 9.020 1.00 0.31 C ATOM 1869 CG PHE A 118 4.514 -7.426 10.186 1.00 0.30 C ATOM 1870 CD1 PHE A 118 5.049 -7.423 11.465 1.00 0.36 C ATOM 1871 CD2 PHE A 118 3.242 -6.922 9.994 1.00 0.32 C ATOM 1872 CE1 PHE A 118 4.325 -6.931 12.530 1.00 0.41 C ATOM 1873 CE2 PHE A 118 2.512 -6.424 11.055 1.00 0.38 C ATOM 1874 CZ PHE A 118 3.054 -6.429 12.324 1.00 0.42 C ATOM 0 H PHE A 118 7.345 -7.352 10.402 1.00 0.30 H new ATOM 0 HA PHE A 118 6.660 -7.170 7.522 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.632 -8.120 8.184 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.753 -8.896 9.285 1.00 0.31 H new ATOM 0 HD1 PHE A 118 6.044 -7.810 11.629 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.814 -6.917 9.003 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.750 -6.938 13.523 1.00 0.41 H new ATOM 0 HE2 PHE A 118 1.519 -6.031 10.892 1.00 0.38 H new ATOM 0 HZ PHE A 118 2.485 -6.041 13.156 1.00 0.42 H new ATOM 1884 N ALA A 119 5.476 -4.922 7.630 1.00 0.23 N ATOM 1885 CA ALA A 119 5.204 -3.492 7.619 1.00 0.23 C ATOM 1886 C ALA A 119 3.719 -3.185 7.442 1.00 0.21 C ATOM 1887 O ALA A 119 3.031 -3.805 6.632 1.00 0.28 O ATOM 1888 CB ALA A 119 6.031 -2.795 6.540 1.00 0.25 C ATOM 0 H ALA A 119 5.263 -5.404 6.756 1.00 0.23 H new ATOM 0 HA ALA A 119 5.497 -3.103 8.594 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.813 -1.727 6.548 1.00 0.25 H new ATOM 0 HB2 ALA A 119 7.092 -2.951 6.737 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.779 -3.209 5.564 1.00 0.25 H new ATOM 1894 N MET A 120 3.240 -2.218 8.216 1.00 0.19 N ATOM 1895 CA MET A 120 1.849 -1.770 8.145 1.00 0.21 C ATOM 1896 C MET A 120 1.783 -0.381 7.527 1.00 0.22 C ATOM 1897 O MET A 120 2.278 0.578 8.117 1.00 0.25 O ATOM 1898 CB MET A 120 1.233 -1.718 9.542 1.00 0.27 C ATOM 1899 CG MET A 120 1.031 -3.073 10.201 1.00 0.48 C ATOM 1900 SD MET A 120 -0.023 -2.967 11.663 1.00 0.63 S ATOM 1901 CE MET A 120 0.730 -1.593 12.532 1.00 1.47 C ATOM 0 H MET A 120 3.800 -1.722 8.909 1.00 0.19 H new ATOM 0 HA MET A 120 1.292 -2.477 7.530 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.871 -1.110 10.183 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.269 -1.213 9.480 1.00 0.27 H new ATOM 0 HG2 MET A 120 0.586 -3.762 9.483 1.00 0.48 H new ATOM 0 HG3 MET A 120 1.999 -3.487 10.482 1.00 0.48 H new ATOM 0 HE1 MET A 120 0.500 -1.665 13.595 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.811 -1.622 12.392 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.339 -0.655 12.138 1.00 1.47 H new ATOM 1911 N VAL A 121 1.174 -0.259 6.355 1.00 0.25 N ATOM 1912 CA VAL A 121 1.202 1.010 5.637 1.00 0.26 C ATOM 1913 C VAL A 121 -0.199 1.532 5.318 1.00 0.29 C ATOM 1914 O VAL A 121 -1.067 0.778 4.884 1.00 0.39 O ATOM 1915 CB VAL A 121 1.962 0.899 4.305 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.599 2.229 3.967 1.00 0.34 C ATOM 1917 CG2 VAL A 121 3.007 -0.201 4.332 1.00 0.28 C ATOM 0 H VAL A 121 0.663 -1.008 5.887 1.00 0.25 H new ATOM 0 HA VAL A 121 1.710 1.702 6.308 1.00 0.26 H new ATOM 0 HB VAL A 121 1.241 0.634 3.531 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.136 2.145 3.022 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.825 2.991 3.878 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.295 2.510 4.757 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.518 -0.241 3.370 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.732 0.005 5.119 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.523 -1.158 4.526 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.391 2.832 5.510 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.618 3.514 5.105 1.00 0.27 C ATOM 1929 C PHE A 122 -1.360 4.249 3.782 1.00 0.27 C ATOM 1930 O PHE A 122 -0.481 5.104 3.707 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.069 4.478 6.239 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.105 5.532 5.870 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -2.817 6.517 4.933 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.361 5.552 6.474 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -3.744 7.482 4.603 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.288 6.521 6.143 1.00 0.38 C ATOM 1937 CZ PHE A 122 -4.979 7.484 5.208 1.00 0.63 C ATOM 0 H PHE A 122 0.297 3.443 5.950 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.427 2.802 4.942 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.470 3.878 7.056 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.186 4.989 6.623 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -1.849 6.526 4.455 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.612 4.802 7.209 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -3.501 8.236 3.869 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.258 6.524 6.619 1.00 0.38 H new ATOM 0 HZ PHE A 122 -5.706 8.240 4.950 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.097 3.879 2.737 1.00 0.34 N ATOM 1948 CA PHE A 123 -1.998 4.551 1.433 1.00 0.34 C ATOM 1949 C PHE A 123 -3.255 5.382 1.187 1.00 0.35 C ATOM 1950 O PHE A 123 -4.369 4.861 1.286 1.00 0.38 O ATOM 1951 CB PHE A 123 -1.877 3.530 0.295 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.566 2.794 0.198 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.079 2.038 1.254 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.162 2.824 -0.983 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.104 1.335 1.132 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.348 2.128 -1.105 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.819 1.382 -0.047 1.00 0.41 C ATOM 0 H PHE A 123 -2.773 3.116 2.763 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.110 5.184 1.451 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.675 2.796 0.407 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.050 4.047 -0.649 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.631 1.998 2.182 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.205 3.401 -1.819 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.470 0.748 1.961 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.906 2.168 -2.029 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.746 0.835 -0.140 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.087 6.654 0.859 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.226 7.510 0.540 1.00 0.39 C ATOM 1969 C GLN A 124 -4.146 8.014 -0.900 1.00 0.34 C ATOM 1970 O GLN A 124 -3.099 8.487 -1.351 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.312 8.696 1.506 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.497 9.614 1.233 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.610 10.759 2.221 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -6.707 11.244 2.505 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -4.486 11.214 2.748 1.00 1.57 N ATOM 0 H GLN A 124 -2.180 7.117 0.806 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.128 6.908 0.649 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.381 8.320 2.527 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.391 9.275 1.442 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -5.408 10.020 0.225 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.416 9.028 1.260 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -3.594 10.790 2.492 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -4.511 11.989 3.411 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.259 7.898 -1.615 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.358 8.373 -2.985 1.00 0.38 C ATOM 1986 C LYS A 125 -6.617 9.211 -3.157 1.00 0.35 C ATOM 1987 O LYS A 125 -7.733 8.706 -3.037 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.392 7.189 -3.956 1.00 0.53 C ATOM 1989 CG LYS A 125 -5.490 7.588 -5.424 1.00 0.98 C ATOM 1990 CD LYS A 125 -5.472 6.365 -6.330 1.00 1.06 C ATOM 1991 CE LYS A 125 -5.472 6.745 -7.804 1.00 1.36 C ATOM 1992 NZ LYS A 125 -6.754 7.367 -8.235 1.00 1.55 N ATOM 0 H LYS A 125 -6.115 7.472 -1.260 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.485 8.987 -3.204 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.492 6.590 -3.813 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.241 6.553 -3.706 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.407 8.153 -5.589 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -4.660 8.246 -5.681 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -4.589 5.765 -6.111 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -6.341 5.743 -6.116 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -4.653 7.438 -7.997 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -5.284 5.855 -8.405 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -6.720 7.560 -9.256 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.541 6.718 -8.031 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.898 8.258 -7.719 1.00 1.55 H new ATOM 2006 N THR A 126 -6.438 10.482 -3.444 1.00 0.31 N ATOM 2007 CA THR A 126 -7.563 11.365 -3.686 1.00 0.31 C ATOM 2008 C THR A 126 -7.740 11.558 -5.181 1.00 0.34 C ATOM 2009 O THR A 126 -6.764 11.781 -5.896 1.00 0.39 O ATOM 2010 CB THR A 126 -7.330 12.739 -3.041 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.353 12.620 -1.998 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.615 13.294 -2.454 1.00 0.47 C ATOM 0 H THR A 126 -5.524 10.929 -3.516 1.00 0.31 H new ATOM 0 HA THR A 126 -8.453 10.912 -3.249 1.00 0.31 H new ATOM 0 HB THR A 126 -6.977 13.421 -3.814 1.00 0.35 H new ATOM 0 HG1 THR A 126 -5.805 13.432 -1.969 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.419 14.267 -2.004 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.359 13.402 -3.243 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.991 12.612 -1.692 1.00 0.47 H new ATOM 2020 N SER A 127 -8.965 11.456 -5.670 1.00 0.37 N ATOM 2021 CA SER A 127 -9.218 11.636 -7.087 1.00 0.45 C ATOM 2022 C SER A 127 -10.638 12.135 -7.325 1.00 0.51 C ATOM 2023 O SER A 127 -11.597 11.544 -6.841 1.00 0.52 O ATOM 2024 CB SER A 127 -8.978 10.319 -7.833 1.00 0.54 C ATOM 2025 OG SER A 127 -7.663 9.832 -7.594 1.00 0.87 O ATOM 0 H SER A 127 -9.793 11.251 -5.110 1.00 0.37 H new ATOM 0 HA SER A 127 -8.529 12.389 -7.470 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.709 9.577 -7.512 1.00 0.54 H new ATOM 0 HB3 SER A 127 -9.125 10.470 -8.902 1.00 0.54 H new ATOM 0 HG SER A 127 -7.140 9.882 -8.421 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.748 13.247 -8.052 1.00 0.63 N ATOM 2032 CA GLU A 128 -12.037 13.868 -8.362 1.00 0.74 C ATOM 2033 C GLU A 128 -12.759 14.274 -7.077 1.00 0.66 C ATOM 2034 O GLU A 128 -13.981 14.167 -6.964 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.910 12.924 -9.190 1.00 0.89 C ATOM 2036 CG GLU A 128 -14.092 13.616 -9.839 1.00 1.26 C ATOM 2037 CD GLU A 128 -13.667 14.614 -10.894 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.037 15.628 -10.532 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -13.947 14.386 -12.093 1.00 2.13 O ATOM 0 H GLU A 128 -9.947 13.743 -8.443 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.849 14.765 -8.952 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -12.299 12.461 -9.965 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -13.275 12.121 -8.549 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.744 12.869 -10.291 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -14.676 14.127 -9.073 1.00 1.26 H new ATOM 2046 N ASN A 129 -11.971 14.725 -6.108 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.463 15.091 -4.777 1.00 0.70 C ATOM 2048 C ASN A 129 -13.019 13.884 -4.031 1.00 0.59 C ATOM 2049 O ASN A 129 -13.495 14.008 -2.903 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.506 16.212 -4.837 1.00 0.91 C ATOM 2051 CG ASN A 129 -12.895 17.535 -5.249 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -12.869 17.879 -6.429 1.00 1.64 O ATOM 2053 ND2 ASN A 129 -12.389 18.285 -4.281 1.00 2.21 N ATOM 0 H ASN A 129 -10.965 14.849 -6.221 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.603 15.467 -4.222 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -14.290 15.940 -5.543 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -13.979 16.320 -3.861 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -11.959 19.183 -4.503 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -12.430 17.965 -3.313 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.962 12.718 -4.657 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.305 11.487 -3.984 1.00 0.49 C ATOM 2062 C LYS A 130 -12.054 10.876 -3.389 1.00 0.42 C ATOM 2063 O LYS A 130 -11.083 10.597 -4.093 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.994 10.506 -4.934 1.00 0.64 C ATOM 2065 CG LYS A 130 -15.432 10.886 -5.242 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.240 11.037 -3.964 1.00 1.36 C ATOM 2067 CE LYS A 130 -17.699 11.346 -4.246 1.00 2.08 C ATOM 2068 NZ LYS A 130 -17.874 12.604 -5.022 1.00 2.80 N ATOM 0 H LYS A 130 -12.681 12.605 -5.631 1.00 0.45 H new ATOM 0 HA LYS A 130 -14.012 11.709 -3.184 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -13.430 10.455 -5.866 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -13.974 9.509 -4.494 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -15.453 11.821 -5.803 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.886 10.124 -5.876 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -16.170 10.119 -3.381 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -15.812 11.834 -3.356 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -18.143 10.517 -4.798 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -18.239 11.426 -3.303 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -18.883 12.852 -5.058 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -17.345 13.372 -4.562 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -17.516 12.468 -5.989 1.00 2.80 H new ATOM 2082 N GLN A 131 -12.069 10.704 -2.086 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.909 10.203 -1.379 1.00 0.44 C ATOM 2084 C GLN A 131 -11.018 8.701 -1.176 1.00 0.48 C ATOM 2085 O GLN A 131 -12.033 8.198 -0.698 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.776 10.899 -0.032 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.579 12.398 -0.169 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.911 13.175 1.088 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -11.789 12.797 1.861 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -10.213 14.280 1.297 1.00 1.57 N ATOM 0 H GLN A 131 -12.874 10.904 -1.492 1.00 0.43 H new ATOM 0 HA GLN A 131 -10.022 10.412 -1.978 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.669 10.706 0.563 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.933 10.473 0.512 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.543 12.595 -0.444 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.201 12.764 -0.986 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -9.492 14.561 0.632 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.396 14.850 2.123 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.981 7.992 -1.555 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.921 6.555 -1.350 1.00 0.50 C ATOM 2101 C TYR A 132 -8.633 6.215 -0.632 1.00 0.44 C ATOM 2102 O TYR A 132 -7.571 6.717 -0.980 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.983 5.786 -2.672 1.00 0.57 C ATOM 2104 CG TYR A 132 -11.108 6.213 -3.591 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -12.366 5.634 -3.491 1.00 0.87 C ATOM 2106 CD2 TYR A 132 -10.910 7.189 -4.560 1.00 0.68 C ATOM 2107 CE1 TYR A 132 -13.397 6.016 -4.328 1.00 1.01 C ATOM 2108 CE2 TYR A 132 -11.935 7.578 -5.401 1.00 0.81 C ATOM 2109 CZ TYR A 132 -13.176 6.989 -5.281 1.00 0.96 C ATOM 2110 OH TYR A 132 -14.200 7.372 -6.119 1.00 1.12 O ATOM 0 H TYR A 132 -9.158 8.387 -2.011 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.785 6.261 -0.754 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -9.035 5.910 -3.196 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -10.090 4.723 -2.456 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -12.542 4.872 -2.746 1.00 0.87 H new ATOM 0 HD2 TYR A 132 -9.939 7.651 -4.657 1.00 0.68 H new ATOM 0 HE1 TYR A 132 -14.370 5.556 -4.237 1.00 1.01 H new ATOM 0 HE2 TYR A 132 -11.765 8.339 -6.148 1.00 0.81 H new ATOM 0 HH TYR A 132 -13.879 8.067 -6.731 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.728 5.372 0.364 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.562 4.995 1.134 1.00 0.30 C ATOM 2122 C PHE A 133 -7.637 3.531 1.501 1.00 0.25 C ATOM 2123 O PHE A 133 -8.708 2.916 1.448 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.442 5.841 2.408 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.447 5.487 3.466 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -9.797 5.724 3.267 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -8.038 4.918 4.657 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -10.720 5.396 4.239 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -8.955 4.587 5.634 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.308 4.839 5.421 1.00 1.95 C ATOM 0 H PHE A 133 -9.598 4.932 0.664 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.680 5.173 0.519 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -6.439 5.723 2.818 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.558 6.893 2.147 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.131 6.170 2.342 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -6.988 4.730 4.825 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -11.770 5.579 4.067 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -8.625 4.135 6.558 1.00 1.82 H new ATOM 0 HZ PHE A 133 -11.031 4.596 6.186 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.499 2.977 1.851 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.429 1.610 2.309 1.00 0.24 C ATOM 2142 C LYS A 134 -5.227 1.430 3.223 1.00 0.17 C ATOM 2143 O LYS A 134 -4.239 2.158 3.115 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.368 0.635 1.113 1.00 0.38 C ATOM 2145 CG LYS A 134 -5.019 -0.045 0.894 1.00 0.53 C ATOM 2146 CD LYS A 134 -3.996 0.867 0.243 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.694 0.127 -0.026 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.678 -0.510 -1.371 1.00 1.30 N ATOM 0 H LYS A 134 -5.600 3.459 1.826 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.332 1.382 2.876 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -7.126 -0.135 1.254 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.633 1.180 0.207 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.632 -0.390 1.853 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -5.160 -0.928 0.270 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.396 1.257 -0.693 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -3.804 1.723 0.890 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -1.859 0.823 0.055 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -2.547 -0.637 0.738 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -2.309 -1.479 -1.292 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.645 -0.538 -1.754 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -2.069 0.041 -2.009 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.316 0.468 4.115 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.175 0.069 4.902 1.00 0.17 C ATOM 2164 C VAL A 135 -3.718 -1.293 4.388 1.00 0.20 C ATOM 2165 O VAL A 135 -4.534 -2.179 4.131 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.486 0.029 6.424 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.278 -1.209 6.828 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.205 0.140 7.234 1.00 0.78 C ATOM 0 H VAL A 135 -6.171 -0.053 4.312 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.380 0.806 4.791 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.118 0.890 6.643 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.467 -1.186 7.901 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.227 -1.225 6.292 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.707 -2.103 6.580 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.443 0.110 8.297 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.545 -0.691 6.987 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.707 1.081 7.000 1.00 0.78 H new ATOM 2178 N THR A 136 -2.433 -1.440 4.165 1.00 0.20 N ATOM 2179 CA THR A 136 -1.920 -2.647 3.558 1.00 0.22 C ATOM 2180 C THR A 136 -0.849 -3.280 4.436 1.00 0.24 C ATOM 2181 O THR A 136 -0.183 -2.595 5.218 1.00 0.47 O ATOM 2182 CB THR A 136 -1.354 -2.356 2.153 1.00 0.43 C ATOM 2183 OG1 THR A 136 -0.921 -3.565 1.515 1.00 1.41 O ATOM 2184 CG2 THR A 136 -0.202 -1.370 2.219 1.00 0.65 C ATOM 0 H THR A 136 -1.725 -0.742 4.394 1.00 0.20 H new ATOM 0 HA THR A 136 -2.747 -3.350 3.459 1.00 0.22 H new ATOM 0 HB THR A 136 -2.157 -1.914 1.563 1.00 0.43 H new ATOM 0 HG1 THR A 136 -1.430 -4.323 1.871 1.00 1.41 H new ATOM 0 HG21 THR A 136 0.176 -1.185 1.214 1.00 0.65 H new ATOM 0 HG22 THR A 136 -0.549 -0.433 2.655 1.00 0.65 H new ATOM 0 HG23 THR A 136 0.596 -1.783 2.836 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.700 -4.587 4.307 1.00 0.18 N ATOM 2193 CA LEU A 137 0.280 -5.330 5.074 1.00 0.21 C ATOM 2194 C LEU A 137 1.370 -5.838 4.137 1.00 0.17 C ATOM 2195 O LEU A 137 1.090 -6.614 3.221 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.405 -6.511 5.776 1.00 0.33 C ATOM 2197 CG LEU A 137 0.250 -7.009 7.070 1.00 0.34 C ATOM 2198 CD1 LEU A 137 1.691 -7.420 6.834 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.176 -5.947 8.151 1.00 0.68 C ATOM 0 H LEU A 137 -1.253 -5.160 3.670 1.00 0.18 H new ATOM 0 HA LEU A 137 0.727 -4.682 5.828 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.432 -6.225 6.001 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -0.453 -7.344 5.075 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.302 -7.887 7.404 1.00 0.34 H new ATOM 0 HD11 LEU A 137 2.128 -7.768 7.770 1.00 0.97 H new ATOM 0 HD12 LEU A 137 1.724 -8.222 6.097 1.00 0.97 H new ATOM 0 HD13 LEU A 137 2.258 -6.565 6.465 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.646 -6.320 9.061 1.00 0.68 H new ATOM 0 HD22 LEU A 137 0.696 -5.050 7.816 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.868 -5.707 8.354 1.00 0.68 H new ATOM 2211 N TYR A 138 2.598 -5.394 4.360 1.00 0.18 N ATOM 2212 CA TYR A 138 3.732 -5.849 3.570 1.00 0.26 C ATOM 2213 C TYR A 138 4.652 -6.730 4.400 1.00 0.20 C ATOM 2214 O TYR A 138 4.803 -6.529 5.604 1.00 0.25 O ATOM 2215 CB TYR A 138 4.536 -4.669 3.024 1.00 0.44 C ATOM 2216 CG TYR A 138 3.865 -3.928 1.893 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.705 -4.519 0.647 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.400 -2.637 2.070 1.00 0.54 C ATOM 2219 CE1 TYR A 138 3.097 -3.840 -0.390 1.00 2.04 C ATOM 2220 CE2 TYR A 138 2.791 -1.951 1.041 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.640 -2.556 -0.188 1.00 1.94 C ATOM 2222 OH TYR A 138 2.032 -1.876 -1.219 1.00 2.64 O ATOM 0 H TYR A 138 2.835 -4.716 5.085 1.00 0.18 H new ATOM 0 HA TYR A 138 3.331 -6.425 2.736 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.729 -3.969 3.837 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.504 -5.033 2.680 1.00 0.44 H new ATOM 0 HD1 TYR A 138 4.062 -5.526 0.486 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.516 -2.158 3.031 1.00 0.54 H new ATOM 0 HE1 TYR A 138 2.980 -4.313 -1.354 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.434 -0.944 1.197 1.00 1.18 H new ATOM 0 HH TYR A 138 1.927 -0.933 -0.972 1.00 2.64 H new ATOM 2232 N GLY A 139 5.257 -7.704 3.749 1.00 0.28 N ATOM 2233 CA GLY A 139 6.232 -8.550 4.403 1.00 0.29 C ATOM 2234 C GLY A 139 7.452 -8.740 3.533 1.00 0.33 C ATOM 2235 O GLY A 139 7.365 -8.608 2.312 1.00 0.45 O ATOM 0 H GLY A 139 5.090 -7.928 2.768 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.525 -8.106 5.354 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.786 -9.519 4.627 1.00 0.29 H new ATOM 2239 N ARG A 140 8.585 -9.048 4.142 1.00 0.37 N ATOM 2240 CA ARG A 140 9.839 -9.174 3.402 1.00 0.49 C ATOM 2241 C ARG A 140 9.827 -10.400 2.490 1.00 0.38 C ATOM 2242 O ARG A 140 10.586 -10.477 1.520 1.00 0.51 O ATOM 2243 CB ARG A 140 11.021 -9.261 4.372 1.00 0.78 C ATOM 2244 CG ARG A 140 12.375 -9.095 3.700 1.00 1.61 C ATOM 2245 CD ARG A 140 12.468 -7.757 2.986 1.00 1.91 C ATOM 2246 NE ARG A 140 13.803 -7.510 2.445 1.00 2.46 N ATOM 2247 CZ ARG A 140 14.250 -6.306 2.095 1.00 3.13 C ATOM 2248 NH1 ARG A 140 13.454 -5.248 2.177 1.00 3.38 N ATOM 2249 NH2 ARG A 140 15.492 -6.160 1.657 1.00 3.99 N ATOM 0 H ARG A 140 8.667 -9.216 5.145 1.00 0.37 H new ATOM 0 HA ARG A 140 9.947 -8.286 2.779 1.00 0.49 H new ATOM 0 HB2 ARG A 140 10.909 -8.494 5.138 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.993 -10.225 4.880 1.00 0.78 H new ATOM 0 HG2 ARG A 140 13.167 -9.169 4.446 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.532 -9.904 2.986 1.00 1.61 H new ATOM 0 HD2 ARG A 140 11.739 -7.728 2.176 1.00 1.91 H new ATOM 0 HD3 ARG A 140 12.206 -6.958 3.680 1.00 1.91 H new ATOM 0 HE ARG A 140 14.429 -8.307 2.329 1.00 2.46 H new ATOM 0 HH11 ARG A 140 12.496 -5.355 2.509 1.00 3.38 H new ATOM 0 HH12 ARG A 140 13.800 -4.327 1.908 1.00 3.38 H new ATOM 0 HH21 ARG A 140 16.107 -6.971 1.588 1.00 3.99 H new ATOM 0 HH22 ARG A 140 15.833 -5.237 1.389 1.00 3.99 H new ATOM 2263 N THR A 141 8.962 -11.353 2.802 1.00 0.40 N ATOM 2264 CA THR A 141 8.891 -12.592 2.052 1.00 0.58 C ATOM 2265 C THR A 141 7.445 -13.086 1.994 1.00 0.64 C ATOM 2266 O THR A 141 6.548 -12.475 2.577 1.00 1.14 O ATOM 2267 CB THR A 141 9.807 -13.667 2.687 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.883 -14.824 1.844 1.00 1.13 O ATOM 2269 CG2 THR A 141 9.310 -14.066 4.071 1.00 0.94 C ATOM 0 H THR A 141 8.298 -11.289 3.573 1.00 0.40 H new ATOM 0 HA THR A 141 9.240 -12.406 1.036 1.00 0.58 H new ATOM 0 HB THR A 141 10.803 -13.236 2.790 1.00 0.85 H new ATOM 0 HG1 THR A 141 9.950 -14.543 0.908 1.00 1.13 H new ATOM 0 HG21 THR A 141 9.973 -14.822 4.492 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.300 -13.191 4.720 1.00 0.94 H new ATOM 0 HG23 THR A 141 8.301 -14.471 3.992 1.00 0.94 H new ATOM 2277 N LYS A 142 7.233 -14.201 1.299 1.00 0.79 N ATOM 2278 CA LYS A 142 5.905 -14.768 1.081 1.00 0.87 C ATOM 2279 C LYS A 142 5.402 -15.506 2.332 1.00 0.84 C ATOM 2280 O LYS A 142 4.596 -16.432 2.239 1.00 1.09 O ATOM 2281 CB LYS A 142 5.976 -15.742 -0.104 1.00 1.02 C ATOM 2282 CG LYS A 142 4.633 -16.070 -0.737 1.00 1.17 C ATOM 2283 CD LYS A 142 4.194 -14.987 -1.707 1.00 0.84 C ATOM 2284 CE LYS A 142 5.065 -14.955 -2.959 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.034 -16.244 -3.709 1.00 1.57 N ATOM 0 H LYS A 142 7.984 -14.740 0.868 1.00 0.79 H new ATOM 0 HA LYS A 142 5.206 -13.960 0.868 1.00 0.87 H new ATOM 0 HB2 LYS A 142 6.628 -15.318 -0.867 1.00 1.02 H new ATOM 0 HB3 LYS A 142 6.440 -16.669 0.232 1.00 1.02 H new ATOM 0 HG2 LYS A 142 4.700 -17.023 -1.261 1.00 1.17 H new ATOM 0 HG3 LYS A 142 3.881 -16.187 0.043 1.00 1.17 H new ATOM 0 HD2 LYS A 142 3.155 -15.155 -1.992 1.00 0.84 H new ATOM 0 HD3 LYS A 142 4.236 -14.017 -1.211 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.728 -14.150 -3.612 1.00 0.85 H new ATOM 0 HE3 LYS A 142 6.093 -14.727 -2.677 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 5.391 -16.093 -4.674 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 5.633 -16.942 -3.224 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 4.057 -16.597 -3.753 1.00 1.57 H new ATOM 2299 N GLY A 143 5.868 -15.087 3.504 1.00 0.67 N ATOM 2300 CA GLY A 143 5.522 -15.786 4.724 1.00 0.70 C ATOM 2301 C GLY A 143 5.391 -14.868 5.925 1.00 0.62 C ATOM 2302 O GLY A 143 6.365 -14.615 6.631 1.00 0.74 O ATOM 0 H GLY A 143 6.477 -14.278 3.629 1.00 0.67 H new ATOM 0 HA2 GLY A 143 4.581 -16.316 4.576 1.00 0.70 H new ATOM 0 HA3 GLY A 143 6.283 -16.538 4.932 1.00 0.70 H new ATOM 2306 N LEU A 144 4.182 -14.368 6.149 1.00 0.52 N ATOM 2307 CA LEU A 144 3.876 -13.565 7.328 1.00 0.46 C ATOM 2308 C LEU A 144 2.757 -14.224 8.122 1.00 0.48 C ATOM 2309 O LEU A 144 1.798 -14.740 7.546 1.00 0.53 O ATOM 2310 CB LEU A 144 3.465 -12.148 6.935 1.00 0.43 C ATOM 2311 CG LEU A 144 4.583 -11.263 6.382 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.113 -9.819 6.318 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.837 -11.376 7.234 1.00 0.56 C ATOM 0 H LEU A 144 3.389 -14.506 5.522 1.00 0.52 H new ATOM 0 HA LEU A 144 4.774 -13.503 7.943 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.674 -12.213 6.187 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.037 -11.658 7.809 1.00 0.43 H new ATOM 0 HG LEU A 144 4.829 -11.603 5.376 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.913 -9.193 5.923 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.242 -9.748 5.666 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.846 -9.479 7.318 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.617 -10.737 6.820 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.614 -11.062 8.253 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.181 -12.410 7.240 1.00 0.56 H new ATOM 2325 N SER A 145 2.895 -14.199 9.440 1.00 0.51 N ATOM 2326 CA SER A 145 1.942 -14.836 10.338 1.00 0.56 C ATOM 2327 C SER A 145 0.556 -14.203 10.216 1.00 0.50 C ATOM 2328 O SER A 145 0.415 -13.014 9.927 1.00 0.49 O ATOM 2329 CB SER A 145 2.442 -14.718 11.780 1.00 0.65 C ATOM 2330 OG SER A 145 1.569 -15.373 12.685 1.00 1.43 O ATOM 0 H SER A 145 3.670 -13.737 9.917 1.00 0.51 H new ATOM 0 HA SER A 145 1.858 -15.887 10.060 1.00 0.56 H new ATOM 0 HB2 SER A 145 3.440 -15.150 11.857 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.528 -13.666 12.052 1.00 0.65 H new ATOM 0 HG SER A 145 1.915 -15.282 13.597 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.466 -15.022 10.450 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.854 -14.567 10.440 1.00 0.51 C ATOM 2338 C ASP A 146 -2.082 -13.551 11.548 1.00 0.48 C ATOM 2339 O ASP A 146 -3.013 -12.748 11.494 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.815 -15.747 10.605 1.00 0.62 C ATOM 2341 CG ASP A 146 -2.638 -16.792 9.520 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -3.254 -16.644 8.446 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -1.903 -17.777 9.742 1.00 2.08 O ATOM 0 H ASP A 146 -0.357 -16.016 10.651 1.00 0.53 H new ATOM 0 HA ASP A 146 -2.051 -14.094 9.478 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.656 -16.208 11.580 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.842 -15.381 10.589 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.226 -13.607 12.557 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.277 -12.672 13.668 1.00 0.53 C ATOM 2350 C GLU A 147 -1.045 -11.237 13.195 1.00 0.45 C ATOM 2351 O GLU A 147 -1.801 -10.329 13.549 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.230 -13.058 14.711 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.149 -12.105 15.891 1.00 0.72 C ATOM 2354 CD GLU A 147 0.899 -12.525 16.894 1.00 1.25 C ATOM 2355 OE1 GLU A 147 2.070 -12.129 16.729 1.00 1.99 O ATOM 2356 OE2 GLU A 147 0.555 -13.243 17.857 1.00 1.48 O ATOM 0 H GLU A 147 -0.480 -14.299 12.628 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.271 -12.720 14.114 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.453 -14.059 15.081 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.747 -13.106 14.229 1.00 0.62 H new ATOM 0 HG2 GLU A 147 0.077 -11.102 15.530 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -1.121 -12.055 16.383 1.00 0.72 H new ATOM 2363 N LEU A 148 -0.012 -11.037 12.378 1.00 0.41 N ATOM 2364 CA LEU A 148 0.363 -9.694 11.947 1.00 0.37 C ATOM 2365 C LEU A 148 -0.657 -9.103 10.969 1.00 0.31 C ATOM 2366 O LEU A 148 -0.857 -7.887 10.928 1.00 0.29 O ATOM 2367 CB LEU A 148 1.796 -9.673 11.373 1.00 0.37 C ATOM 2368 CG LEU A 148 2.111 -10.621 10.207 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.602 -10.068 8.889 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.612 -10.857 10.111 1.00 0.38 C ATOM 0 H LEU A 148 0.575 -11.782 12.004 1.00 0.41 H new ATOM 0 HA LEU A 148 0.356 -9.052 12.828 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.012 -8.656 11.046 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.486 -9.900 12.186 1.00 0.37 H new ATOM 0 HG LEU A 148 1.603 -11.565 10.404 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.842 -10.764 8.085 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.522 -9.935 8.943 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.076 -9.107 8.690 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.822 -11.531 9.280 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.120 -9.907 9.945 1.00 0.38 H new ATOM 0 HD23 LEU A 148 3.970 -11.302 11.039 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.323 -9.949 10.195 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.337 -9.451 9.275 1.00 0.29 C ATOM 2384 C LYS A 149 -3.604 -9.051 10.025 1.00 0.29 C ATOM 2385 O LYS A 149 -4.183 -8.004 9.765 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.666 -10.462 8.172 1.00 0.35 C ATOM 2387 CG LYS A 149 -2.893 -11.882 8.652 1.00 0.78 C ATOM 2388 CD LYS A 149 -3.277 -12.811 7.509 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.112 -13.065 6.562 1.00 0.83 C ATOM 2390 NZ LYS A 149 -2.486 -13.989 5.457 1.00 1.22 N ATOM 0 H LYS A 149 -1.185 -10.960 10.184 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.920 -8.567 8.793 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.559 -10.125 7.646 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -1.851 -10.465 7.448 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.987 -12.252 9.133 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -3.680 -11.889 9.406 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -3.627 -13.760 7.915 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -4.108 -12.377 6.953 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -1.771 -12.118 6.144 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -1.276 -13.486 7.120 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -1.666 -14.136 4.835 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -2.787 -14.902 5.855 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -3.267 -13.576 4.908 1.00 1.22 H new ATOM 2404 N GLU A 150 -4.036 -9.880 10.955 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.158 -9.520 11.822 1.00 0.35 C ATOM 2406 C GLU A 150 -4.874 -8.183 12.514 1.00 0.34 C ATOM 2407 O GLU A 150 -5.776 -7.377 12.753 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.423 -10.608 12.866 1.00 0.42 C ATOM 2409 CG GLU A 150 -6.681 -10.352 13.683 1.00 1.02 C ATOM 2410 CD GLU A 150 -6.937 -11.414 14.730 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -7.049 -12.604 14.364 1.00 1.83 O ATOM 2412 OE2 GLU A 150 -7.015 -11.066 15.927 1.00 2.00 O ATOM 0 H GLU A 150 -3.636 -10.801 11.135 1.00 0.33 H new ATOM 0 HA GLU A 150 -6.050 -9.424 11.203 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -5.512 -11.572 12.364 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.567 -10.676 13.538 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -6.598 -9.381 14.172 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -7.538 -10.298 13.012 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.605 -7.960 12.829 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.158 -6.688 13.377 1.00 0.35 C ATOM 2421 C ARG A 151 -3.511 -5.531 12.434 1.00 0.30 C ATOM 2422 O ARG A 151 -4.009 -4.494 12.879 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.649 -6.744 13.633 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.020 -5.423 14.048 1.00 1.21 C ATOM 2425 CD ARG A 151 0.451 -5.618 14.381 1.00 1.20 C ATOM 2426 NE ARG A 151 1.178 -4.356 14.517 1.00 1.71 N ATOM 2427 CZ ARG A 151 2.187 -4.171 15.372 1.00 1.97 C ATOM 2428 NH1 ARG A 151 2.519 -5.138 16.224 1.00 1.74 N ATOM 2429 NH2 ARG A 151 2.865 -3.026 15.379 1.00 2.88 N ATOM 0 H ARG A 151 -2.863 -8.650 12.713 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.671 -6.509 14.322 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.454 -7.482 14.411 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.155 -7.097 12.728 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.124 -4.695 13.244 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -1.545 -5.019 14.914 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.536 -6.182 15.310 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.918 -6.218 13.600 1.00 1.20 H new ATOM 0 HE ARG A 151 0.899 -3.573 13.926 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.003 -6.018 16.223 1.00 1.74 H new ATOM 0 HH12 ARG A 151 3.289 -4.999 16.878 1.00 1.74 H new ATOM 0 HH21 ARG A 151 2.615 -2.281 14.728 1.00 2.88 H new ATOM 0 HH22 ARG A 151 3.634 -2.893 16.035 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.276 -5.710 11.129 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.581 -4.647 10.169 1.00 0.27 C ATOM 2445 C PHE A 152 -5.091 -4.476 9.986 1.00 0.23 C ATOM 2446 O PHE A 152 -5.559 -3.356 9.826 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.883 -4.860 8.800 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.721 -5.534 7.734 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.764 -4.860 7.115 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.468 -6.840 7.358 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.538 -5.478 6.162 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.237 -7.464 6.398 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.277 -6.781 5.802 1.00 0.21 C ATOM 0 H PHE A 152 -2.885 -6.560 10.722 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.179 -3.727 10.593 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.560 -3.890 8.423 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -1.984 -5.455 8.960 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.971 -3.835 7.386 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.656 -7.380 7.823 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.351 -4.941 5.696 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.026 -8.484 6.114 1.00 0.26 H new ATOM 0 HZ PHE A 152 -5.885 -7.268 5.054 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.861 -5.570 9.997 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.309 -5.466 9.780 1.00 0.22 C ATOM 2465 C VAL A 153 -7.940 -4.647 10.908 1.00 0.25 C ATOM 2466 O VAL A 153 -8.858 -3.860 10.686 1.00 0.28 O ATOM 2467 CB VAL A 153 -8.013 -6.853 9.662 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.234 -7.791 8.755 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.237 -7.502 11.020 1.00 0.28 C ATOM 0 H VAL A 153 -5.516 -6.518 10.150 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.454 -4.964 8.823 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.991 -6.668 9.218 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.750 -8.749 8.693 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.158 -7.355 7.759 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.234 -7.943 9.161 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.730 -8.465 10.886 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.277 -7.651 11.515 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.865 -6.855 11.633 1.00 0.28 H new ATOM 2479 N SER A 154 -7.411 -4.809 12.114 1.00 0.28 N ATOM 2480 CA SER A 154 -7.857 -4.027 13.252 1.00 0.33 C ATOM 2481 C SER A 154 -7.420 -2.572 13.090 1.00 0.32 C ATOM 2482 O SER A 154 -8.101 -1.647 13.534 1.00 0.35 O ATOM 2483 CB SER A 154 -7.307 -4.632 14.541 1.00 0.38 C ATOM 2484 OG SER A 154 -7.660 -6.006 14.631 1.00 1.05 O ATOM 0 H SER A 154 -6.671 -5.478 12.326 1.00 0.28 H new ATOM 0 HA SER A 154 -8.946 -4.046 13.304 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.223 -4.526 14.567 1.00 0.38 H new ATOM 0 HB3 SER A 154 -7.701 -4.091 15.402 1.00 0.38 H new ATOM 0 HG SER A 154 -7.095 -6.529 14.025 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.290 -2.379 12.418 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.802 -1.045 12.107 1.00 0.29 C ATOM 2492 C PHE A 155 -6.661 -0.422 11.004 1.00 0.28 C ATOM 2493 O PHE A 155 -6.842 0.793 10.957 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.326 -1.100 11.692 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.664 0.247 11.603 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.244 0.903 12.750 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.461 0.858 10.377 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.636 2.141 12.673 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -2.854 2.093 10.293 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.440 2.738 11.443 1.00 0.39 C ATOM 0 H PHE A 155 -5.695 -3.134 12.078 1.00 0.29 H new ATOM 0 HA PHE A 155 -5.877 -0.420 12.997 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.781 -1.715 12.408 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.250 -1.595 10.724 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.394 0.441 13.715 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.783 0.360 9.474 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.314 2.642 13.574 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.702 2.556 9.329 1.00 0.30 H new ATOM 0 HZ PHE A 155 -1.965 3.706 11.380 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.209 -1.270 10.132 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.128 -0.824 9.093 1.00 0.25 C ATOM 2512 C ALA A 156 -9.339 -0.164 9.737 1.00 0.28 C ATOM 2513 O ALA A 156 -9.824 0.875 9.289 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.580 -1.998 8.225 1.00 0.25 C ATOM 0 H ALA A 156 -7.029 -2.274 10.128 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.612 -0.106 8.456 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.265 -1.640 7.457 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.712 -2.456 7.752 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.086 -2.737 8.847 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.799 -0.784 10.813 1.00 0.33 N ATOM 2521 CA LYS A 157 -10.931 -0.283 11.580 1.00 0.39 C ATOM 2522 C LYS A 157 -10.554 0.954 12.381 1.00 0.41 C ATOM 2523 O LYS A 157 -11.402 1.778 12.717 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.449 -1.379 12.509 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.639 -2.110 11.929 1.00 0.78 C ATOM 2526 CD LYS A 157 -12.321 -2.741 10.579 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.806 -4.164 10.702 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.804 -5.083 11.314 1.00 0.75 N ATOM 0 H LYS A 157 -9.399 -1.648 11.179 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.718 0.002 10.882 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -10.649 -2.092 12.707 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -11.728 -0.939 13.466 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -12.962 -2.885 12.624 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -13.471 -1.415 11.817 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -13.218 -2.736 9.960 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.576 -2.133 10.065 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.534 -4.535 9.714 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.898 -4.167 11.304 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.677 -6.040 10.928 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -12.670 -5.104 12.345 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.764 -4.747 11.097 1.00 0.75 H new ATOM 2542 N SER A 158 -9.273 1.069 12.670 1.00 0.48 N ATOM 2543 CA SER A 158 -8.743 2.203 13.417 1.00 0.58 C ATOM 2544 C SER A 158 -8.801 3.484 12.579 1.00 0.49 C ATOM 2545 O SER A 158 -8.961 4.579 13.120 1.00 0.55 O ATOM 2546 CB SER A 158 -7.308 1.913 13.869 1.00 0.81 C ATOM 2547 OG SER A 158 -6.863 2.859 14.825 1.00 1.39 O ATOM 0 H SER A 158 -8.568 0.384 12.397 1.00 0.48 H new ATOM 0 HA SER A 158 -9.362 2.354 14.301 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.255 0.911 14.295 1.00 0.81 H new ATOM 0 HB3 SER A 158 -6.644 1.927 13.005 1.00 0.81 H new ATOM 0 HG SER A 158 -5.945 2.645 15.094 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.678 3.348 11.258 1.00 0.43 N ATOM 2554 CA LEU A 159 -8.825 4.497 10.362 1.00 0.46 C ATOM 2555 C LEU A 159 -10.303 4.831 10.154 1.00 0.38 C ATOM 2556 O LEU A 159 -10.649 5.964 9.829 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.158 4.251 8.998 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.654 4.572 8.888 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.347 5.966 9.429 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -5.808 3.519 9.585 1.00 0.76 C ATOM 0 H LEU A 159 -8.479 2.465 10.788 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.324 5.339 10.839 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.301 3.203 8.735 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.687 4.843 8.250 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.393 4.557 7.830 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.279 6.164 9.338 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -6.904 6.709 8.858 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.639 6.022 10.478 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -4.753 3.777 9.488 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.076 3.478 10.641 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -5.988 2.546 9.127 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.172 3.841 10.346 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.601 4.073 10.201 1.00 0.41 C ATOM 2574 C GLY A 160 -13.251 3.187 9.152 1.00 0.35 C ATOM 2575 O GLY A 160 -14.455 3.276 8.916 1.00 0.42 O ATOM 0 H GLY A 160 -10.915 2.887 10.598 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.089 3.905 11.161 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -12.767 5.118 9.938 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.463 2.325 8.528 1.00 0.38 N ATOM 2580 CA LEU A 161 -12.972 1.438 7.489 1.00 0.35 C ATOM 2581 C LEU A 161 -13.550 0.167 8.100 1.00 0.37 C ATOM 2582 O LEU A 161 -13.426 -0.072 9.300 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.856 1.103 6.504 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.131 1.501 5.052 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.832 1.853 4.356 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.831 0.367 4.312 1.00 0.35 C ATOM 0 H LEU A 161 -11.467 2.219 8.722 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.774 1.947 6.954 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.942 1.597 6.833 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.670 0.030 6.541 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.784 2.374 5.048 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -11.037 2.135 3.323 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.357 2.687 4.872 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.166 0.990 4.371 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -13.019 0.667 3.281 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.197 -0.520 4.322 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.778 0.142 4.803 1.00 0.35 H new ATOM 2598 N LYS A 162 -14.194 -0.631 7.263 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.916 -1.811 7.714 1.00 0.42 C ATOM 2600 C LYS A 162 -14.266 -3.094 7.207 1.00 0.36 C ATOM 2601 O LYS A 162 -13.688 -3.123 6.121 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.349 -1.719 7.200 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.407 -1.452 5.704 1.00 0.86 C ATOM 2604 CD LYS A 162 -17.340 -0.304 5.333 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.986 1.016 6.018 1.00 0.77 C ATOM 2606 NZ LYS A 162 -17.440 1.075 7.438 1.00 1.46 N ATOM 0 H LYS A 162 -14.231 -0.480 6.255 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.897 -1.844 8.803 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.873 -2.649 7.422 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.873 -0.923 7.730 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -15.404 -1.227 5.343 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -16.734 -2.357 5.193 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -17.316 -0.161 4.253 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -18.362 -0.578 5.595 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -15.906 1.160 5.981 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -17.437 1.839 5.464 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.699 2.053 7.679 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.267 0.457 7.564 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -16.671 0.757 8.062 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.370 -4.142 8.024 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.901 -5.492 7.684 1.00 0.41 C ATOM 2622 C ASP A 163 -14.493 -5.973 6.360 1.00 0.39 C ATOM 2623 O ASP A 163 -13.903 -6.797 5.660 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.303 -6.460 8.799 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.334 -7.609 8.964 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -13.461 -8.619 8.240 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -12.454 -7.514 9.846 1.00 1.81 O ATOM 0 H ASP A 163 -14.787 -4.080 8.953 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.817 -5.460 7.579 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -14.373 -5.913 9.739 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.296 -6.857 8.587 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.659 -5.431 6.021 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.351 -5.754 4.773 1.00 0.43 C ATOM 2634 C ASN A 164 -15.536 -5.304 3.566 1.00 0.38 C ATOM 2635 O ASN A 164 -15.813 -5.694 2.433 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.724 -5.075 4.733 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.625 -5.503 5.874 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.597 -4.913 6.955 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.441 -6.515 5.635 1.00 1.68 N ATOM 0 H ASN A 164 -16.153 -4.755 6.603 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.477 -6.836 4.733 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.591 -3.994 4.768 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -18.211 -5.306 3.786 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.081 -6.836 6.361 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.430 -6.975 4.725 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.535 -4.473 3.822 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.669 -3.952 2.781 1.00 0.31 C ATOM 2648 C ASN A 165 -12.221 -4.352 3.037 1.00 0.26 C ATOM 2649 O ASN A 165 -11.293 -3.689 2.587 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.800 -2.429 2.710 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.937 -1.983 1.811 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -16.075 -1.829 2.257 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -14.635 -1.768 0.540 1.00 0.61 N ATOM 0 H ASN A 165 -14.303 -4.143 4.759 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.974 -4.378 1.825 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.959 -2.034 3.714 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.865 -2.004 2.345 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.358 -1.463 -0.111 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -13.679 -1.908 0.212 1.00 0.61 H new ATOM 2660 N ILE A 166 -12.033 -5.436 3.776 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.694 -5.925 4.079 1.00 0.22 C ATOM 2662 C ILE A 166 -10.489 -7.325 3.511 1.00 0.24 C ATOM 2663 O ILE A 166 -11.281 -8.228 3.772 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.446 -5.953 5.604 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.833 -4.609 6.219 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.992 -6.293 5.920 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.650 -4.549 7.715 1.00 0.26 C ATOM 0 H ILE A 166 -12.788 -5.993 4.176 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.983 -5.241 3.616 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.069 -6.734 6.040 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.235 -3.823 5.757 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.876 -4.398 5.981 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.848 -6.305 7.000 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.750 -7.274 5.510 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.338 -5.543 5.475 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.945 -3.565 8.078 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.269 -5.311 8.188 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.603 -4.728 7.961 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.430 -7.495 2.732 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.113 -8.785 2.135 1.00 0.26 C ATOM 2681 C VAL A 167 -7.740 -9.263 2.579 1.00 0.26 C ATOM 2682 O VAL A 167 -6.997 -8.547 3.252 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.140 -8.742 0.586 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.546 -8.479 0.068 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -8.154 -7.710 0.041 1.00 0.72 C ATOM 0 H VAL A 167 -8.772 -6.751 2.498 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.883 -9.476 2.478 1.00 0.26 H new ATOM 0 HB VAL A 167 -8.828 -9.722 0.225 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.534 -8.454 -1.022 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.212 -9.273 0.405 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -10.901 -7.521 0.449 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.198 -7.705 -1.048 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -8.415 -6.722 0.419 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.144 -7.966 0.363 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.408 -10.473 2.183 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.110 -11.047 2.470 1.00 0.28 C ATOM 2697 C PHE A 168 -5.480 -11.477 1.158 1.00 0.30 C ATOM 2698 O PHE A 168 -6.060 -12.272 0.417 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.240 -12.234 3.429 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.819 -11.870 4.772 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.103 -11.086 5.664 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.079 -12.316 5.141 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.631 -10.755 6.897 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.613 -11.987 6.374 1.00 0.45 C ATOM 2705 CZ PHE A 168 -7.887 -11.206 7.252 1.00 0.40 C ATOM 0 H PHE A 168 -8.028 -11.086 1.654 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.477 -10.306 2.958 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.869 -12.995 2.967 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.256 -12.679 3.577 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.121 -10.730 5.391 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.650 -12.927 4.458 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.062 -10.144 7.582 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -9.596 -12.340 6.650 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.301 -10.948 8.215 1.00 0.40 H new ATOM 2715 N SER A 169 -4.310 -10.929 0.872 1.00 0.48 N ATOM 2716 CA SER A 169 -3.666 -11.094 -0.423 1.00 0.63 C ATOM 2717 C SER A 169 -3.501 -12.559 -0.810 1.00 0.50 C ATOM 2718 O SER A 169 -3.115 -13.400 0.005 1.00 0.66 O ATOM 2719 CB SER A 169 -2.314 -10.407 -0.402 1.00 1.01 C ATOM 2720 OG SER A 169 -2.440 -9.069 0.042 1.00 1.75 O ATOM 0 H SER A 169 -3.780 -10.358 1.530 1.00 0.48 H new ATOM 0 HA SER A 169 -4.310 -10.637 -1.174 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.634 -10.951 0.254 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.876 -10.425 -1.400 1.00 1.01 H new ATOM 0 HG SER A 169 -3.114 -8.607 -0.499 1.00 1.75 H new ATOM 2726 N VAL A 170 -3.804 -12.842 -2.065 1.00 0.46 N ATOM 2727 CA VAL A 170 -3.736 -14.188 -2.602 1.00 0.41 C ATOM 2728 C VAL A 170 -2.491 -14.376 -3.455 1.00 0.41 C ATOM 2729 O VAL A 170 -2.206 -13.565 -4.341 1.00 0.43 O ATOM 2730 CB VAL A 170 -4.987 -14.479 -3.451 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -4.886 -15.817 -4.164 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.225 -14.412 -2.584 1.00 0.57 C ATOM 0 H VAL A 170 -4.105 -12.141 -2.742 1.00 0.46 H new ATOM 0 HA VAL A 170 -3.690 -14.883 -1.764 1.00 0.41 H new ATOM 0 HB VAL A 170 -5.059 -13.715 -4.225 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -5.788 -15.985 -4.752 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.018 -15.813 -4.824 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -4.779 -16.614 -3.428 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.106 -14.619 -3.191 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.152 -15.152 -1.787 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.310 -13.417 -2.148 1.00 0.57 H new ATOM 2742 N PRO A 171 -1.718 -15.429 -3.164 1.00 0.47 N ATOM 2743 CA PRO A 171 -0.603 -15.853 -4.009 1.00 0.54 C ATOM 2744 C PRO A 171 -1.105 -16.365 -5.355 1.00 0.54 C ATOM 2745 O PRO A 171 -1.325 -17.566 -5.537 1.00 0.62 O ATOM 2746 CB PRO A 171 0.060 -16.988 -3.219 1.00 0.66 C ATOM 2747 CG PRO A 171 -0.497 -16.897 -1.838 1.00 0.83 C ATOM 2748 CD PRO A 171 -1.857 -16.274 -1.972 1.00 0.57 C ATOM 0 HA PRO A 171 0.083 -15.035 -4.228 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -0.160 -17.957 -3.667 1.00 0.66 H new ATOM 0 HB3 PRO A 171 1.144 -16.879 -3.212 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -0.565 -17.884 -1.380 1.00 0.83 H new ATOM 0 HG3 PRO A 171 0.146 -16.293 -1.198 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -2.635 -17.027 -2.100 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.121 -15.689 -1.091 1.00 0.57 H new ATOM 2756 N THR A 172 -1.305 -15.442 -6.283 1.00 0.65 N ATOM 2757 CA THR A 172 -1.847 -15.765 -7.590 1.00 0.78 C ATOM 2758 C THR A 172 -0.803 -16.482 -8.442 1.00 0.73 C ATOM 2759 O THR A 172 0.390 -16.486 -8.112 1.00 0.72 O ATOM 2760 CB THR A 172 -2.341 -14.486 -8.313 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.933 -14.808 -9.581 1.00 1.78 O ATOM 2762 CG2 THR A 172 -1.207 -13.492 -8.522 1.00 0.81 C ATOM 0 H THR A 172 -1.097 -14.452 -6.151 1.00 0.65 H new ATOM 0 HA THR A 172 -2.698 -16.431 -7.447 1.00 0.78 H new ATOM 0 HB THR A 172 -3.094 -14.027 -7.672 1.00 1.07 H new ATOM 0 HG1 THR A 172 -3.239 -13.986 -10.018 1.00 1.78 H new ATOM 0 HG21 THR A 172 -1.588 -12.607 -9.031 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.793 -13.204 -7.556 1.00 0.81 H new ATOM 0 HG23 THR A 172 -0.427 -13.952 -9.129 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.253 -17.105 -9.524 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.345 -17.728 -10.472 1.00 0.80 C ATOM 2772 C ASP A 173 0.326 -16.630 -11.267 1.00 0.77 C ATOM 2773 O ASP A 173 -0.156 -16.207 -12.321 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.085 -18.686 -11.400 1.00 0.99 C ATOM 2775 CG ASP A 173 -0.168 -19.326 -12.425 1.00 1.34 C ATOM 2776 OD1 ASP A 173 0.672 -20.167 -12.046 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -0.280 -18.986 -13.623 1.00 1.55 O ATOM 0 H ASP A 173 -2.240 -17.191 -9.765 1.00 0.75 H new ATOM 0 HA ASP A 173 0.399 -18.316 -9.934 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.562 -19.466 -10.806 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -1.880 -18.147 -11.915 1.00 0.99 H new ATOM 2782 N GLN A 174 1.422 -16.156 -10.725 1.00 0.78 N ATOM 2783 CA GLN A 174 2.072 -14.963 -11.212 1.00 0.94 C ATOM 2784 C GLN A 174 3.473 -14.872 -10.631 1.00 0.89 C ATOM 2785 O GLN A 174 3.690 -15.186 -9.463 1.00 1.21 O ATOM 2786 CB GLN A 174 1.188 -13.761 -10.816 1.00 1.17 C ATOM 2787 CG GLN A 174 1.849 -12.392 -10.788 1.00 1.69 C ATOM 2788 CD GLN A 174 2.259 -11.972 -9.385 1.00 2.98 C ATOM 2789 OE1 GLN A 174 2.544 -12.806 -8.531 1.00 3.60 O ATOM 2790 NE2 GLN A 174 2.275 -10.673 -9.133 1.00 3.76 N ATOM 0 H GLN A 174 1.891 -16.589 -9.929 1.00 0.78 H new ATOM 0 HA GLN A 174 2.184 -14.976 -12.296 1.00 0.94 H new ATOM 0 HB2 GLN A 174 0.348 -13.716 -11.509 1.00 1.17 H new ATOM 0 HB3 GLN A 174 0.775 -13.957 -9.827 1.00 1.17 H new ATOM 0 HG2 GLN A 174 2.728 -12.403 -11.432 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.162 -11.652 -11.199 1.00 1.69 H new ATOM 0 HE21 GLN A 174 2.032 -10.008 -9.867 1.00 3.76 H new ATOM 0 HE22 GLN A 174 2.530 -10.337 -8.204 1.00 3.76 H new ATOM 2799 N CYS A 175 4.427 -14.503 -11.469 1.00 0.79 N ATOM 2800 CA CYS A 175 5.782 -14.259 -11.002 1.00 0.85 C ATOM 2801 C CYS A 175 5.762 -13.020 -10.133 1.00 1.02 C ATOM 2802 O CYS A 175 5.035 -12.077 -10.428 1.00 2.06 O ATOM 2803 CB CYS A 175 6.762 -14.091 -12.171 1.00 0.90 C ATOM 2804 SG CYS A 175 6.305 -12.815 -13.394 1.00 1.07 S ATOM 0 H CYS A 175 4.290 -14.366 -12.471 1.00 0.79 H new ATOM 0 HA CYS A 175 6.128 -15.118 -10.427 1.00 0.85 H new ATOM 0 HB2 CYS A 175 7.745 -13.849 -11.768 1.00 0.90 H new ATOM 0 HB3 CYS A 175 6.856 -15.047 -12.686 1.00 0.90 H new ATOM 2809 N ILE A 176 6.522 -13.013 -9.054 1.00 0.60 N ATOM 2810 CA ILE A 176 6.381 -11.944 -8.084 1.00 0.56 C ATOM 2811 C ILE A 176 7.658 -11.728 -7.273 1.00 0.80 C ATOM 2812 O ILE A 176 7.975 -10.605 -6.881 1.00 1.52 O ATOM 2813 CB ILE A 176 5.187 -12.240 -7.149 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.937 -11.070 -6.207 1.00 0.46 C ATOM 2815 CG2 ILE A 176 5.415 -13.525 -6.366 1.00 0.81 C ATOM 2816 CD1 ILE A 176 3.727 -11.255 -5.308 1.00 0.65 C ATOM 0 H ILE A 176 7.226 -13.716 -8.830 1.00 0.60 H new ATOM 0 HA ILE A 176 6.193 -11.021 -8.632 1.00 0.56 H new ATOM 0 HB ILE A 176 4.299 -12.375 -7.767 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.820 -10.921 -5.586 1.00 0.46 H new ATOM 0 HG13 ILE A 176 4.805 -10.163 -6.797 1.00 0.46 H new ATOM 0 HG21 ILE A 176 4.561 -13.711 -5.715 1.00 0.81 H new ATOM 0 HG22 ILE A 176 5.531 -14.358 -7.059 1.00 0.81 H new ATOM 0 HG23 ILE A 176 6.317 -13.428 -5.762 1.00 0.81 H new ATOM 0 HD11 ILE A 176 3.614 -10.381 -4.666 1.00 0.65 H new ATOM 0 HD12 ILE A 176 2.833 -11.374 -5.921 1.00 0.65 H new ATOM 0 HD13 ILE A 176 3.864 -12.143 -4.691 1.00 0.65 H new