USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 726 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 24 THR OG1 : rot 100:sc= -0.0615 USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -61:sc= 0.377 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -150:sc= -5.3! USER MOD Single : A 21 GLN :FLIP amide:sc= -0.176 F(o=-1.7,f=-0.18) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 39 THR OG1 : rot 99:sc= 1.17 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-3.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.24) USER MOD Single : A 123 SER OG : rot -37:sc= 0.309 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -93:sc= -0.0871 USER MOD Single : A 133 TYR OH : rot -162:sc= -3.98! USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -18.056 -9.768 9.344 1.00 0.00 N ATOM 32 CA GLY A 3 -17.724 -9.373 7.949 1.00 0.00 C ATOM 33 C GLY A 3 -16.518 -8.438 7.975 1.00 0.00 C ATOM 34 O GLY A 3 -16.647 -7.234 7.982 1.00 0.00 O ATOM 0 HA2 GLY A 3 -17.504 -10.256 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -18.576 -8.877 7.485 1.00 0.00 H new ATOM 38 N THR A 4 -15.339 -8.971 7.999 1.00 0.00 N ATOM 39 CA THR A 4 -14.154 -8.068 8.047 1.00 0.00 C ATOM 40 C THR A 4 -14.057 -7.262 6.761 1.00 0.00 C ATOM 41 O THR A 4 -13.841 -7.774 5.695 1.00 0.00 O ATOM 42 CB THR A 4 -12.926 -8.961 8.212 1.00 0.00 C ATOM 43 OG1 THR A 4 -13.039 -9.700 9.421 1.00 0.00 O ATOM 44 CG2 THR A 4 -11.673 -8.077 8.262 1.00 0.00 C ATOM 0 H THR A 4 -15.138 -9.971 7.988 1.00 0.00 H new ATOM 0 HA THR A 4 -14.232 -7.360 8.872 1.00 0.00 H new ATOM 0 HB THR A 4 -12.854 -9.654 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.252 -10.275 9.528 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.790 -8.704 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.593 -7.507 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.745 -7.391 9.106 1.00 0.00 H new ATOM 52 N LEU A 5 -14.218 -5.988 6.861 1.00 0.00 N ATOM 53 CA LEU A 5 -14.132 -5.137 5.653 1.00 0.00 C ATOM 54 C LEU A 5 -12.999 -4.146 5.853 1.00 0.00 C ATOM 55 O LEU A 5 -12.903 -3.537 6.889 1.00 0.00 O ATOM 56 CB LEU A 5 -15.513 -4.450 5.579 1.00 0.00 C ATOM 57 CG LEU A 5 -15.473 -3.109 4.817 1.00 0.00 C ATOM 58 CD1 LEU A 5 -14.895 -1.999 5.712 1.00 0.00 C ATOM 59 CD2 LEU A 5 -14.663 -3.237 3.534 1.00 0.00 C ATOM 0 H LEU A 5 -14.407 -5.491 7.731 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.920 -5.674 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.221 -5.119 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.883 -4.278 6.590 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.494 -2.841 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.874 -1.060 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.519 -1.884 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.882 -2.265 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.650 -2.279 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.642 -3.533 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.116 -3.992 2.891 1.00 0.00 H new ATOM 71 N LEU A 6 -12.140 -3.966 4.890 1.00 0.00 N ATOM 72 CA LEU A 6 -11.035 -2.990 5.089 1.00 0.00 C ATOM 73 C LEU A 6 -11.034 -1.935 3.978 1.00 0.00 C ATOM 74 O LEU A 6 -11.134 -2.245 2.807 1.00 0.00 O ATOM 75 CB LEU A 6 -9.756 -3.835 5.059 1.00 0.00 C ATOM 76 CG LEU A 6 -9.074 -3.754 6.422 1.00 0.00 C ATOM 77 CD1 LEU A 6 -9.944 -4.453 7.469 1.00 0.00 C ATOM 78 CD2 LEU A 6 -7.706 -4.431 6.376 1.00 0.00 C ATOM 0 H LEU A 6 -12.153 -4.443 3.989 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.133 -2.438 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.995 -4.871 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.084 -3.474 4.280 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.942 -2.704 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.458 -4.396 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.917 -3.963 7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.078 -5.498 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.234 -4.364 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.828 -5.479 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.079 -3.934 5.636 1.00 0.00 H new ATOM 90 N ALA A 7 -10.906 -0.684 4.344 1.00 0.00 N ATOM 91 CA ALA A 7 -10.877 0.408 3.326 1.00 0.00 C ATOM 92 C ALA A 7 -9.485 1.035 3.322 1.00 0.00 C ATOM 93 O ALA A 7 -8.945 1.363 4.358 1.00 0.00 O ATOM 94 CB ALA A 7 -11.935 1.420 3.775 1.00 0.00 C ATOM 0 H ALA A 7 -10.820 -0.372 5.311 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.086 0.055 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.967 2.250 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.911 0.935 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.682 1.795 4.766 1.00 0.00 H new ATOM 100 N PHE A 8 -8.890 1.181 2.170 1.00 0.00 N ATOM 101 CA PHE A 8 -7.521 1.748 2.101 1.00 0.00 C ATOM 102 C PHE A 8 -7.493 3.077 1.354 1.00 0.00 C ATOM 103 O PHE A 8 -8.035 3.217 0.275 1.00 0.00 O ATOM 104 CB PHE A 8 -6.681 0.721 1.319 1.00 0.00 C ATOM 105 CG PHE A 8 -6.818 -0.681 1.886 1.00 0.00 C ATOM 106 CD1 PHE A 8 -8.027 -1.386 1.773 1.00 0.00 C ATOM 107 CD2 PHE A 8 -5.718 -1.290 2.502 1.00 0.00 C ATOM 108 CE1 PHE A 8 -8.130 -2.685 2.277 1.00 0.00 C ATOM 109 CE2 PHE A 8 -5.823 -2.591 3.003 1.00 0.00 C ATOM 110 CZ PHE A 8 -7.029 -3.288 2.891 1.00 0.00 C ATOM 0 H PHE A 8 -9.299 0.929 1.270 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.142 1.935 3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.991 0.721 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.633 1.019 1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.878 -0.924 1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.785 -0.753 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.062 -3.224 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.972 -3.057 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.110 -4.293 3.279 1.00 0.00 H new ATOM 120 N ASP A 9 -6.804 4.035 1.903 1.00 0.00 N ATOM 121 CA ASP A 9 -6.662 5.344 1.219 1.00 0.00 C ATOM 122 C ASP A 9 -5.194 5.501 0.850 1.00 0.00 C ATOM 123 O ASP A 9 -4.399 5.958 1.655 1.00 0.00 O ATOM 124 CB ASP A 9 -7.053 6.396 2.256 1.00 0.00 C ATOM 125 CG ASP A 9 -6.972 7.788 1.627 1.00 0.00 C ATOM 126 OD1 ASP A 9 -7.845 8.113 0.839 1.00 0.00 O ATOM 127 OD2 ASP A 9 -6.037 8.503 1.943 1.00 0.00 O ATOM 0 H ASP A 9 -6.330 3.965 2.803 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.275 5.435 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.064 6.207 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.389 6.336 3.119 1.00 0.00 H new ATOM 132 N PHE A 10 -4.802 5.104 -0.340 1.00 0.00 N ATOM 133 CA PHE A 10 -3.357 5.225 -0.690 1.00 0.00 C ATOM 134 C PHE A 10 -3.046 4.811 -2.135 1.00 0.00 C ATOM 135 O PHE A 10 -3.916 4.750 -2.994 1.00 0.00 O ATOM 136 CB PHE A 10 -2.637 4.297 0.306 1.00 0.00 C ATOM 137 CG PHE A 10 -2.682 2.837 -0.120 1.00 0.00 C ATOM 138 CD1 PHE A 10 -3.863 2.095 0.025 1.00 0.00 C ATOM 139 CD2 PHE A 10 -1.529 2.216 -0.619 1.00 0.00 C ATOM 140 CE1 PHE A 10 -3.885 0.740 -0.335 1.00 0.00 C ATOM 141 CE2 PHE A 10 -1.552 0.864 -0.968 1.00 0.00 C ATOM 142 CZ PHE A 10 -2.726 0.128 -0.828 1.00 0.00 C ATOM 0 H PHE A 10 -5.405 4.712 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.032 6.263 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.598 4.611 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.096 4.399 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.754 2.566 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.619 2.786 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.796 0.168 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.659 0.389 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.743 -0.917 -1.100 1.00 0.00 H new ATOM 152 N GLY A 11 -1.782 4.531 -2.380 1.00 0.00 N ATOM 153 CA GLY A 11 -1.323 4.118 -3.739 1.00 0.00 C ATOM 154 C GLY A 11 0.012 3.366 -3.611 1.00 0.00 C ATOM 155 O GLY A 11 0.508 3.150 -2.524 1.00 0.00 O ATOM 0 H GLY A 11 -1.042 4.574 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.070 3.480 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.202 4.993 -4.377 1.00 0.00 H new ATOM 159 N THR A 12 0.597 2.958 -4.706 1.00 0.00 N ATOM 160 CA THR A 12 1.892 2.208 -4.629 1.00 0.00 C ATOM 161 C THR A 12 3.038 3.109 -4.152 1.00 0.00 C ATOM 162 O THR A 12 4.004 3.317 -4.861 1.00 0.00 O ATOM 163 CB THR A 12 2.157 1.734 -6.056 1.00 0.00 C ATOM 164 OG1 THR A 12 3.359 0.978 -6.087 1.00 0.00 O ATOM 165 CG2 THR A 12 2.291 2.944 -6.972 1.00 0.00 C ATOM 0 H THR A 12 0.238 3.109 -5.649 1.00 0.00 H new ATOM 0 HA THR A 12 1.832 1.386 -3.915 1.00 0.00 H new ATOM 0 HB THR A 12 1.329 1.111 -6.395 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.108 1.542 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.480 2.609 -7.992 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.369 3.524 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.120 3.566 -6.635 1.00 0.00 H new ATOM 173 N LYS A 13 2.954 3.632 -2.953 1.00 0.00 N ATOM 174 CA LYS A 13 4.055 4.512 -2.435 1.00 0.00 C ATOM 175 C LYS A 13 3.735 5.018 -1.021 1.00 0.00 C ATOM 176 O LYS A 13 4.616 5.266 -0.222 1.00 0.00 O ATOM 177 CB LYS A 13 4.113 5.702 -3.399 1.00 0.00 C ATOM 178 CG LYS A 13 5.546 6.236 -3.465 1.00 0.00 C ATOM 179 CD LYS A 13 5.553 7.720 -3.095 1.00 0.00 C ATOM 180 CE LYS A 13 6.940 8.309 -3.365 1.00 0.00 C ATOM 181 NZ LYS A 13 6.681 9.580 -4.097 1.00 0.00 N ATOM 0 H LYS A 13 2.175 3.490 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 13 4.999 3.969 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.781 5.396 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.436 6.488 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.186 5.677 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.951 6.098 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.801 8.254 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.292 7.845 -2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.480 8.491 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.550 7.628 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.585 10.044 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.172 9.374 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.104 10.211 -3.504 1.00 0.00 H new ATOM 195 N SER A 14 2.481 5.202 -0.726 1.00 0.00 N ATOM 196 CA SER A 14 2.072 5.731 0.610 1.00 0.00 C ATOM 197 C SER A 14 0.991 4.819 1.220 1.00 0.00 C ATOM 198 O SER A 14 0.258 4.185 0.508 1.00 0.00 O ATOM 199 CB SER A 14 1.530 7.119 0.259 1.00 0.00 C ATOM 200 OG SER A 14 0.126 7.044 0.055 1.00 0.00 O ATOM 0 H SER A 14 1.707 5.006 -1.361 1.00 0.00 H new ATOM 0 HA SER A 14 2.870 5.771 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.754 7.822 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.019 7.495 -0.640 1.00 0.00 H new ATOM 0 HG SER A 14 -0.147 7.726 -0.593 1.00 0.00 H new ATOM 206 N ILE A 15 0.934 4.715 2.532 1.00 0.00 N ATOM 207 CA ILE A 15 -0.084 3.798 3.200 1.00 0.00 C ATOM 208 C ILE A 15 -0.984 4.490 4.275 1.00 0.00 C ATOM 209 O ILE A 15 -0.609 4.641 5.437 1.00 0.00 O ATOM 210 CB ILE A 15 0.769 2.729 3.865 1.00 0.00 C ATOM 211 CG1 ILE A 15 1.562 1.967 2.796 1.00 0.00 C ATOM 212 CG2 ILE A 15 -0.127 1.752 4.636 1.00 0.00 C ATOM 213 CD1 ILE A 15 0.610 1.158 1.895 1.00 0.00 C ATOM 0 H ILE A 15 1.542 5.220 3.176 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.791 3.429 2.457 1.00 0.00 H new ATOM 0 HB ILE A 15 1.461 3.204 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.136 2.669 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.278 1.298 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.490 0.989 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.684 2.294 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.825 1.277 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.189 0.623 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.055 0.443 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.088 1.835 1.403 1.00 0.00 H new ATOM 225 N GLY A 16 -2.176 4.859 3.923 1.00 0.00 N ATOM 226 CA GLY A 16 -3.106 5.455 4.927 1.00 0.00 C ATOM 227 C GLY A 16 -4.352 4.595 4.834 1.00 0.00 C ATOM 228 O GLY A 16 -4.987 4.577 3.794 1.00 0.00 O ATOM 0 H GLY A 16 -2.554 4.776 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.679 5.431 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.324 6.498 4.698 1.00 0.00 H new ATOM 232 N VAL A 17 -4.688 3.804 5.835 1.00 0.00 N ATOM 233 CA VAL A 17 -5.870 2.910 5.600 1.00 0.00 C ATOM 234 C VAL A 17 -6.800 2.744 6.802 1.00 0.00 C ATOM 235 O VAL A 17 -6.462 3.021 7.936 1.00 0.00 O ATOM 236 CB VAL A 17 -5.229 1.581 5.171 1.00 0.00 C ATOM 237 CG1 VAL A 17 -6.276 0.460 5.099 1.00 0.00 C ATOM 238 CG2 VAL A 17 -4.582 1.779 3.798 1.00 0.00 C ATOM 0 H VAL A 17 -4.230 3.739 6.744 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.541 3.335 4.853 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.480 1.288 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.794 -0.469 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.733 0.326 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.045 0.726 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.121 0.846 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.343 2.076 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.821 2.556 3.863 1.00 0.00 H new ATOM 248 N ALA A 18 -7.992 2.281 6.516 1.00 0.00 N ATOM 249 CA ALA A 18 -9.022 2.053 7.563 1.00 0.00 C ATOM 250 C ALA A 18 -9.390 0.578 7.611 1.00 0.00 C ATOM 251 O ALA A 18 -9.658 -0.042 6.601 1.00 0.00 O ATOM 252 CB ALA A 18 -10.233 2.846 7.100 1.00 0.00 C ATOM 0 H ALA A 18 -8.297 2.047 5.571 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.672 2.351 8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.042 2.730 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.968 3.900 7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.559 2.478 6.127 1.00 0.00 H new ATOM 258 N VAL A 19 -9.447 0.029 8.772 1.00 0.00 N ATOM 259 CA VAL A 19 -9.843 -1.391 8.907 1.00 0.00 C ATOM 260 C VAL A 19 -11.297 -1.390 9.366 1.00 0.00 C ATOM 261 O VAL A 19 -11.621 -0.736 10.317 1.00 0.00 O ATOM 262 CB VAL A 19 -8.937 -1.924 10.007 1.00 0.00 C ATOM 263 CG1 VAL A 19 -9.167 -3.418 10.213 1.00 0.00 C ATOM 264 CG2 VAL A 19 -7.460 -1.667 9.654 1.00 0.00 C ATOM 0 H VAL A 19 -9.235 0.504 9.649 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.755 -1.985 7.998 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.178 -1.401 10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.510 -3.782 11.003 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.205 -3.591 10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.950 -3.951 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.823 -2.053 10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.217 -2.170 8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.293 -0.595 9.544 1.00 0.00 H new ATOM 274 N GLY A 20 -12.186 -2.074 8.714 1.00 0.00 N ATOM 275 CA GLY A 20 -13.597 -2.030 9.170 1.00 0.00 C ATOM 276 C GLY A 20 -13.965 -3.374 9.771 1.00 0.00 C ATOM 277 O GLY A 20 -13.655 -4.418 9.235 1.00 0.00 O ATOM 0 H GLY A 20 -12.002 -2.655 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.729 -1.239 9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.256 -1.799 8.333 1.00 0.00 H new ATOM 281 N GLN A 21 -14.621 -3.351 10.888 1.00 0.00 N ATOM 282 CA GLN A 21 -15.007 -4.625 11.538 1.00 0.00 C ATOM 283 C GLN A 21 -16.521 -4.778 11.529 1.00 0.00 C ATOM 284 O GLN A 21 -17.228 -4.053 12.211 1.00 0.00 O ATOM 285 CB GLN A 21 -14.497 -4.507 12.976 1.00 0.00 C ATOM 286 CG GLN A 21 -13.562 -5.675 13.290 1.00 0.00 C ATOM 287 CD GLN A 21 -12.109 -5.202 13.209 1.00 0.00 C ATOM 288 OE1 GLN A 21 -11.700 -4.573 12.143 1.00 0.00 O flip ATOM 289 NE2 GLN A 21 -11.338 -5.409 14.125 1.00 0.00 N flip ATOM 0 H GLN A 21 -14.907 -2.505 11.381 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.591 -5.492 11.025 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.971 -3.562 13.109 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.337 -4.504 13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.773 -6.066 14.285 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.730 -6.489 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.658 -5.901 14.959 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.371 -5.091 14.060 1.00 0.00 H new ATOM 298 N ARG A 22 -17.028 -5.731 10.787 1.00 0.00 N ATOM 299 CA ARG A 22 -18.500 -5.942 10.773 1.00 0.00 C ATOM 300 C ARG A 22 -18.861 -6.943 11.862 1.00 0.00 C ATOM 301 O ARG A 22 -19.592 -7.891 11.653 1.00 0.00 O ATOM 302 CB ARG A 22 -18.855 -6.457 9.380 1.00 0.00 C ATOM 303 CG ARG A 22 -18.462 -5.382 8.363 1.00 0.00 C ATOM 304 CD ARG A 22 -18.777 -5.839 6.931 1.00 0.00 C ATOM 305 NE ARG A 22 -20.262 -5.930 6.872 1.00 0.00 N ATOM 306 CZ ARG A 22 -20.844 -7.090 6.726 1.00 0.00 C ATOM 307 NH1 ARG A 22 -20.409 -7.932 5.827 1.00 0.00 N ATOM 308 NH2 ARG A 22 -21.864 -7.409 7.477 1.00 0.00 N ATOM 0 H ARG A 22 -16.489 -6.364 10.197 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.058 -5.027 10.974 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.328 -7.388 9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.921 -6.672 9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.998 -4.458 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.398 -5.163 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.396 -5.129 6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.314 -6.801 6.713 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.827 -5.084 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.614 -7.684 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.864 -8.838 5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -22.206 -6.752 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.318 -8.315 7.362 1.00 0.00 H new ATOM 322 N ILE A 23 -18.349 -6.691 13.036 1.00 0.00 N ATOM 323 CA ILE A 23 -18.634 -7.510 14.221 1.00 0.00 C ATOM 324 C ILE A 23 -19.331 -6.553 15.191 1.00 0.00 C ATOM 325 O ILE A 23 -20.355 -6.856 15.770 1.00 0.00 O ATOM 326 CB ILE A 23 -17.261 -8.050 14.701 1.00 0.00 C ATOM 327 CG1 ILE A 23 -17.354 -8.555 16.144 1.00 0.00 C ATOM 328 CG2 ILE A 23 -16.164 -6.984 14.593 1.00 0.00 C ATOM 329 CD1 ILE A 23 -17.554 -7.384 17.100 1.00 0.00 C ATOM 0 H ILE A 23 -17.717 -5.911 13.216 1.00 0.00 H new ATOM 0 HA ILE A 23 -19.281 -8.376 14.080 1.00 0.00 H new ATOM 0 HB ILE A 23 -16.993 -8.880 14.047 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -18.183 -9.257 16.239 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -16.446 -9.097 16.407 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -15.217 -7.400 14.938 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -16.064 -6.668 13.554 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -16.429 -6.125 15.209 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -17.619 -7.756 18.123 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -16.711 -6.698 17.016 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.475 -6.860 16.846 1.00 0.00 H new ATOM 341 N THR A 24 -18.780 -5.366 15.325 1.00 0.00 N ATOM 342 CA THR A 24 -19.386 -4.326 16.202 1.00 0.00 C ATOM 343 C THR A 24 -19.784 -3.103 15.348 1.00 0.00 C ATOM 344 O THR A 24 -20.577 -2.282 15.764 1.00 0.00 O ATOM 345 CB THR A 24 -18.292 -3.947 17.211 1.00 0.00 C ATOM 346 OG1 THR A 24 -17.012 -4.259 16.676 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.503 -4.722 18.514 1.00 0.00 C ATOM 0 H THR A 24 -17.923 -5.076 14.854 1.00 0.00 H new ATOM 0 HA THR A 24 -20.284 -4.681 16.708 1.00 0.00 H new ATOM 0 HB THR A 24 -18.347 -2.877 17.411 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.596 -3.444 16.326 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.725 -4.451 19.228 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.480 -4.475 18.930 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.454 -5.792 18.313 1.00 0.00 H new ATOM 355 N GLY A 25 -19.252 -2.987 14.148 1.00 0.00 N ATOM 356 CA GLY A 25 -19.620 -1.831 13.268 1.00 0.00 C ATOM 357 C GLY A 25 -18.623 -0.672 13.431 1.00 0.00 C ATOM 358 O GLY A 25 -18.999 0.481 13.366 1.00 0.00 O ATOM 0 H GLY A 25 -18.582 -3.642 13.744 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.640 -2.154 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.625 -1.488 13.514 1.00 0.00 H new ATOM 362 N THR A 26 -17.369 -0.954 13.670 1.00 0.00 N ATOM 363 CA THR A 26 -16.386 0.146 13.866 1.00 0.00 C ATOM 364 C THR A 26 -15.205 0.041 12.885 1.00 0.00 C ATOM 365 O THR A 26 -14.926 -1.015 12.351 1.00 0.00 O ATOM 366 CB THR A 26 -15.887 -0.063 15.292 1.00 0.00 C ATOM 367 OG1 THR A 26 -16.307 -1.330 15.793 1.00 0.00 O ATOM 368 CG2 THR A 26 -16.435 1.041 16.185 1.00 0.00 C ATOM 0 H THR A 26 -16.986 -1.897 13.737 1.00 0.00 H new ATOM 0 HA THR A 26 -16.836 1.124 13.694 1.00 0.00 H new ATOM 0 HB THR A 26 -14.797 -0.034 15.289 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.976 -1.446 16.708 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.080 0.894 17.205 1.00 0.00 H new ATOM 0 HG22 THR A 26 -16.094 2.009 15.818 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.525 1.012 16.173 1.00 0.00 H new ATOM 376 N ALA A 27 -14.486 1.125 12.665 1.00 0.00 N ATOM 377 CA ALA A 27 -13.307 1.058 11.742 1.00 0.00 C ATOM 378 C ALA A 27 -11.998 1.267 12.524 1.00 0.00 C ATOM 379 O ALA A 27 -11.818 2.264 13.196 1.00 0.00 O ATOM 380 CB ALA A 27 -13.465 2.190 10.700 1.00 0.00 C ATOM 0 H ALA A 27 -14.664 2.039 13.080 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.266 0.081 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.621 2.170 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.391 2.046 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.494 3.153 11.210 1.00 0.00 H new ATOM 386 N ARG A 28 -11.070 0.356 12.399 1.00 0.00 N ATOM 387 CA ARG A 28 -9.755 0.510 13.081 1.00 0.00 C ATOM 388 C ARG A 28 -8.852 1.330 12.155 1.00 0.00 C ATOM 389 O ARG A 28 -9.064 1.348 10.959 1.00 0.00 O ATOM 390 CB ARG A 28 -9.209 -0.911 13.258 1.00 0.00 C ATOM 391 CG ARG A 28 -8.657 -1.079 14.671 1.00 0.00 C ATOM 392 CD ARG A 28 -9.174 -2.383 15.284 1.00 0.00 C ATOM 393 NE ARG A 28 -7.948 -3.090 15.755 1.00 0.00 N ATOM 394 CZ ARG A 28 -8.030 -3.979 16.707 1.00 0.00 C ATOM 395 NH1 ARG A 28 -8.022 -3.602 17.956 1.00 0.00 N ATOM 396 NH2 ARG A 28 -8.116 -5.247 16.409 1.00 0.00 N ATOM 0 H ARG A 28 -11.169 -0.496 11.848 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.819 1.014 14.045 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.999 -1.640 13.077 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.425 -1.103 12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.567 -1.086 14.646 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.956 -0.233 15.290 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.861 -2.189 16.108 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.717 -2.978 14.550 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.044 -2.878 15.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.952 -2.612 18.189 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.086 -4.298 18.699 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.119 -5.542 15.433 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.180 -5.942 17.152 1.00 0.00 H new ATOM 410 N PRO A 29 -7.901 2.017 12.723 1.00 0.00 N ATOM 411 CA PRO A 29 -7.014 2.871 11.912 1.00 0.00 C ATOM 412 C PRO A 29 -5.761 2.124 11.440 1.00 0.00 C ATOM 413 O PRO A 29 -5.097 1.449 12.202 1.00 0.00 O ATOM 414 CB PRO A 29 -6.625 3.969 12.895 1.00 0.00 C ATOM 415 CG PRO A 29 -6.768 3.364 14.267 1.00 0.00 C ATOM 416 CD PRO A 29 -7.562 2.081 14.142 1.00 0.00 C ATOM 0 HA PRO A 29 -7.497 3.226 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.603 4.305 12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.270 4.840 12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.787 3.163 14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.273 4.059 14.937 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.976 1.216 14.452 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.455 2.101 14.766 1.00 0.00 H new ATOM 424 N LEU A 30 -5.418 2.280 10.185 1.00 0.00 N ATOM 425 CA LEU A 30 -4.190 1.630 9.648 1.00 0.00 C ATOM 426 C LEU A 30 -3.080 2.688 9.627 1.00 0.00 C ATOM 427 O LEU A 30 -3.359 3.848 9.362 1.00 0.00 O ATOM 428 CB LEU A 30 -4.562 1.185 8.243 1.00 0.00 C ATOM 429 CG LEU A 30 -3.762 -0.066 7.876 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.599 -0.982 6.988 1.00 0.00 C ATOM 431 CD2 LEU A 30 -2.485 0.349 7.127 1.00 0.00 C ATOM 0 H LEU A 30 -5.942 2.834 9.508 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.839 0.782 10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.630 0.976 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.356 1.984 7.530 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.497 -0.602 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.020 -1.869 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.502 -1.279 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.873 -0.453 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.912 -0.540 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.755 0.889 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.881 0.993 7.766 1.00 0.00 H new ATOM 443 N PRO A 31 -1.872 2.262 9.949 1.00 0.00 N ATOM 444 CA PRO A 31 -0.704 3.181 10.089 1.00 0.00 C ATOM 445 C PRO A 31 -0.598 4.272 9.027 1.00 0.00 C ATOM 446 O PRO A 31 -1.283 4.283 8.024 1.00 0.00 O ATOM 447 CB PRO A 31 0.496 2.226 10.149 1.00 0.00 C ATOM 448 CG PRO A 31 -0.035 0.963 9.573 1.00 0.00 C ATOM 449 CD PRO A 31 -1.432 0.881 10.136 1.00 0.00 C ATOM 0 HA PRO A 31 -0.786 3.802 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.340 2.606 9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.846 2.085 11.172 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.042 0.990 8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.567 0.103 9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.056 0.170 9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.440 0.581 11.184 1.00 0.00 H new ATOM 457 N ALA A 32 0.229 5.239 9.331 1.00 0.00 N ATOM 458 CA ALA A 32 0.400 6.437 8.465 1.00 0.00 C ATOM 459 C ALA A 32 0.986 6.139 7.094 1.00 0.00 C ATOM 460 O ALA A 32 1.861 5.318 6.907 1.00 0.00 O ATOM 461 CB ALA A 32 1.347 7.345 9.250 1.00 0.00 C ATOM 0 H ALA A 32 0.809 5.244 10.170 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.572 6.882 8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.530 8.258 8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.896 7.598 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.291 6.827 9.418 1.00 0.00 H new ATOM 467 N ILE A 33 0.448 6.846 6.152 1.00 0.00 N ATOM 468 CA ILE A 33 0.810 6.775 4.720 1.00 0.00 C ATOM 469 C ILE A 33 2.285 7.035 4.399 1.00 0.00 C ATOM 470 O ILE A 33 2.593 7.710 3.445 1.00 0.00 O ATOM 471 CB ILE A 33 -0.099 7.841 4.131 1.00 0.00 C ATOM 472 CG1 ILE A 33 -0.072 7.768 2.617 1.00 0.00 C ATOM 473 CG2 ILE A 33 0.352 9.216 4.618 1.00 0.00 C ATOM 474 CD1 ILE A 33 -1.494 7.562 2.091 1.00 0.00 C ATOM 0 H ILE A 33 -0.289 7.526 6.338 1.00 0.00 H new ATOM 0 HA ILE A 33 0.679 5.772 4.315 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.124 7.671 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.350 8.685 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.569 6.948 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.298 9.983 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.298 9.252 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.379 9.396 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.475 7.509 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.899 6.633 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.122 8.397 2.403 1.00 0.00 H new ATOM 486 N LYS A 34 3.190 6.433 5.113 1.00 0.00 N ATOM 487 CA LYS A 34 4.628 6.588 4.779 1.00 0.00 C ATOM 488 C LYS A 34 5.257 5.195 4.736 1.00 0.00 C ATOM 489 O LYS A 34 5.665 4.654 5.745 1.00 0.00 O ATOM 490 CB LYS A 34 5.227 7.432 5.907 1.00 0.00 C ATOM 491 CG LYS A 34 6.369 8.287 5.352 1.00 0.00 C ATOM 492 CD LYS A 34 5.816 9.628 4.860 1.00 0.00 C ATOM 493 CE LYS A 34 5.563 10.547 6.055 1.00 0.00 C ATOM 494 NZ LYS A 34 6.075 11.880 5.632 1.00 0.00 N ATOM 0 H LYS A 34 2.994 5.837 5.918 1.00 0.00 H new ATOM 0 HA LYS A 34 4.799 7.067 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.460 8.071 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.596 6.785 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.120 8.453 6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.864 7.764 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.522 10.094 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.890 9.470 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.502 10.592 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.081 10.189 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.936 12.566 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.089 11.808 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.558 12.198 4.787 1.00 0.00 H new ATOM 508 N ALA A 35 5.305 4.595 3.577 1.00 0.00 N ATOM 509 CA ALA A 35 5.869 3.218 3.470 1.00 0.00 C ATOM 510 C ALA A 35 7.380 3.260 3.226 1.00 0.00 C ATOM 511 O ALA A 35 7.932 4.267 2.831 1.00 0.00 O ATOM 512 CB ALA A 35 5.140 2.592 2.279 1.00 0.00 C ATOM 0 H ALA A 35 4.978 4.999 2.699 1.00 0.00 H new ATOM 0 HA ALA A 35 5.729 2.645 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.496 1.573 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.068 2.576 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.336 3.180 1.383 1.00 0.00 H new ATOM 518 N GLN A 36 8.054 2.168 3.482 1.00 0.00 N ATOM 519 CA GLN A 36 9.533 2.135 3.291 1.00 0.00 C ATOM 520 C GLN A 36 9.899 1.808 1.842 1.00 0.00 C ATOM 521 O GLN A 36 9.532 0.780 1.314 1.00 0.00 O ATOM 522 CB GLN A 36 10.027 1.036 4.228 1.00 0.00 C ATOM 523 CG GLN A 36 11.552 1.107 4.335 1.00 0.00 C ATOM 524 CD GLN A 36 12.132 -0.306 4.280 1.00 0.00 C ATOM 525 OE1 GLN A 36 12.384 -0.913 5.302 1.00 0.00 O ATOM 526 NE2 GLN A 36 12.358 -0.862 3.120 1.00 0.00 N ATOM 0 H GLN A 36 7.642 1.297 3.816 1.00 0.00 H new ATOM 0 HA GLN A 36 9.987 3.102 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.576 1.153 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.723 0.059 3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.957 1.710 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.840 1.594 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.147 -0.354 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.745 -1.804 3.073 1.00 0.00 H new ATOM 535 N ASP A 37 10.628 2.678 1.195 1.00 0.00 N ATOM 536 CA ASP A 37 11.024 2.420 -0.221 1.00 0.00 C ATOM 537 C ASP A 37 9.797 2.031 -1.048 1.00 0.00 C ATOM 538 O ASP A 37 9.888 1.275 -1.996 1.00 0.00 O ATOM 539 CB ASP A 37 12.009 1.252 -0.150 1.00 0.00 C ATOM 540 CG ASP A 37 13.298 1.711 0.531 1.00 0.00 C ATOM 541 OD1 ASP A 37 13.283 1.868 1.742 1.00 0.00 O ATOM 542 OD2 ASP A 37 14.282 1.895 -0.168 1.00 0.00 O ATOM 0 H ASP A 37 10.967 3.557 1.586 1.00 0.00 H new ATOM 0 HA ASP A 37 11.464 3.298 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.568 0.424 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.226 0.884 -1.153 1.00 0.00 H new ATOM 547 N GLY A 38 8.650 2.536 -0.690 1.00 0.00 N ATOM 548 CA GLY A 38 7.416 2.189 -1.447 1.00 0.00 C ATOM 549 C GLY A 38 6.862 0.857 -0.932 1.00 0.00 C ATOM 550 O GLY A 38 6.062 0.217 -1.584 1.00 0.00 O ATOM 0 H GLY A 38 8.514 3.174 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.671 2.976 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.637 2.116 -2.512 1.00 0.00 H new ATOM 554 N THR A 39 7.280 0.434 0.232 1.00 0.00 N ATOM 555 CA THR A 39 6.783 -0.843 0.784 1.00 0.00 C ATOM 556 C THR A 39 5.484 -0.597 1.555 1.00 0.00 C ATOM 557 O THR A 39 5.507 -0.018 2.622 1.00 0.00 O ATOM 558 CB THR A 39 7.901 -1.284 1.729 1.00 0.00 C ATOM 559 OG1 THR A 39 9.059 -1.599 0.970 1.00 0.00 O ATOM 560 CG2 THR A 39 7.463 -2.507 2.519 1.00 0.00 C ATOM 0 H THR A 39 7.949 0.928 0.822 1.00 0.00 H new ATOM 0 HA THR A 39 6.561 -1.592 0.024 1.00 0.00 H new ATOM 0 HB THR A 39 8.125 -0.474 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.681 -0.842 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.266 -2.814 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.575 -2.264 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.233 -3.321 1.832 1.00 0.00 H new ATOM 568 N PRO A 40 4.389 -1.047 1.002 1.00 0.00 N ATOM 569 CA PRO A 40 3.085 -0.860 1.676 1.00 0.00 C ATOM 570 C PRO A 40 3.049 -1.693 2.955 1.00 0.00 C ATOM 571 O PRO A 40 3.726 -2.696 3.064 1.00 0.00 O ATOM 572 CB PRO A 40 2.071 -1.365 0.651 1.00 0.00 C ATOM 573 CG PRO A 40 2.845 -2.309 -0.211 1.00 0.00 C ATOM 574 CD PRO A 40 4.250 -1.772 -0.270 1.00 0.00 C ATOM 0 HA PRO A 40 2.886 0.170 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.234 -1.867 1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.656 -0.544 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.831 -3.316 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.410 -2.370 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.984 -2.573 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.393 -1.113 -1.126 1.00 0.00 H new ATOM 582 N ASP A 41 2.272 -1.298 3.926 1.00 0.00 N ATOM 583 CA ASP A 41 2.220 -2.093 5.178 1.00 0.00 C ATOM 584 C ASP A 41 1.666 -3.466 4.852 1.00 0.00 C ATOM 585 O ASP A 41 0.478 -3.710 4.883 1.00 0.00 O ATOM 586 CB ASP A 41 1.279 -1.326 6.108 1.00 0.00 C ATOM 587 CG ASP A 41 1.994 -0.086 6.648 1.00 0.00 C ATOM 588 OD1 ASP A 41 2.473 0.696 5.843 1.00 0.00 O ATOM 589 OD2 ASP A 41 2.050 0.060 7.858 1.00 0.00 O ATOM 0 H ASP A 41 1.679 -0.469 3.905 1.00 0.00 H new ATOM 0 HA ASP A 41 3.196 -2.229 5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.377 -1.033 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.965 -1.966 6.933 1.00 0.00 H new ATOM 594 N TRP A 42 2.547 -4.365 4.549 1.00 0.00 N ATOM 595 CA TRP A 42 2.135 -5.747 4.219 1.00 0.00 C ATOM 596 C TRP A 42 2.079 -6.572 5.500 1.00 0.00 C ATOM 597 O TRP A 42 1.474 -7.620 5.548 1.00 0.00 O ATOM 598 CB TRP A 42 3.224 -6.263 3.278 1.00 0.00 C ATOM 599 CG TRP A 42 2.730 -7.482 2.567 1.00 0.00 C ATOM 600 CD1 TRP A 42 3.097 -8.755 2.850 1.00 0.00 C ATOM 601 CD2 TRP A 42 1.783 -7.568 1.462 1.00 0.00 C ATOM 602 NE1 TRP A 42 2.438 -9.612 1.989 1.00 0.00 N ATOM 603 CE2 TRP A 42 1.617 -8.928 1.114 1.00 0.00 C ATOM 604 CE3 TRP A 42 1.061 -6.604 0.735 1.00 0.00 C ATOM 605 CZ2 TRP A 42 0.763 -9.321 0.083 1.00 0.00 C ATOM 606 CZ3 TRP A 42 0.201 -6.995 -0.304 1.00 0.00 C ATOM 607 CH2 TRP A 42 0.052 -8.351 -0.629 1.00 0.00 C ATOM 0 H TRP A 42 3.553 -4.198 4.515 1.00 0.00 H new ATOM 0 HA TRP A 42 1.150 -5.804 3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.492 -5.491 2.556 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.126 -6.498 3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.791 -9.052 3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.545 -10.626 1.999 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.169 -5.557 0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.652 -10.367 -0.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -0.349 -6.247 -0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.611 -8.645 -1.429 1.00 0.00 H new ATOM 618 N ASN A 43 2.695 -6.097 6.550 1.00 0.00 N ATOM 619 CA ASN A 43 2.650 -6.854 7.830 1.00 0.00 C ATOM 620 C ASN A 43 1.310 -6.591 8.510 1.00 0.00 C ATOM 621 O ASN A 43 0.721 -7.459 9.127 1.00 0.00 O ATOM 622 CB ASN A 43 3.805 -6.299 8.665 1.00 0.00 C ATOM 623 CG ASN A 43 5.048 -7.168 8.458 1.00 0.00 C ATOM 624 OD1 ASN A 43 5.488 -7.364 7.343 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.635 -7.702 9.494 1.00 0.00 N ATOM 0 H ASN A 43 3.223 -5.225 6.575 1.00 0.00 H new ATOM 0 HA ASN A 43 2.746 -7.931 7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.016 -5.270 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.531 -6.283 9.720 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.463 -8.284 9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.266 -7.538 10.430 1.00 0.00 H new ATOM 632 N ILE A 44 0.827 -5.388 8.389 1.00 0.00 N ATOM 633 CA ILE A 44 -0.476 -5.030 9.008 1.00 0.00 C ATOM 634 C ILE A 44 -1.626 -5.584 8.153 1.00 0.00 C ATOM 635 O ILE A 44 -2.502 -6.266 8.647 1.00 0.00 O ATOM 636 CB ILE A 44 -0.468 -3.492 9.035 1.00 0.00 C ATOM 637 CG1 ILE A 44 0.310 -3.014 10.265 1.00 0.00 C ATOM 638 CG2 ILE A 44 -1.896 -2.939 9.105 1.00 0.00 C ATOM 639 CD1 ILE A 44 1.762 -3.486 10.171 1.00 0.00 C ATOM 0 H ILE A 44 1.285 -4.630 7.882 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.615 -5.446 10.006 1.00 0.00 H new ATOM 0 HB ILE A 44 0.004 -3.132 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.274 -1.927 10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.151 -3.403 11.173 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.864 -1.850 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.458 -3.271 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.383 -3.303 10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.313 -3.145 11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.789 -4.575 10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.221 -3.075 9.271 1.00 0.00 H new ATOM 651 N ILE A 45 -1.637 -5.294 6.880 1.00 0.00 N ATOM 652 CA ILE A 45 -2.739 -5.807 6.021 1.00 0.00 C ATOM 653 C ILE A 45 -2.723 -7.336 5.986 1.00 0.00 C ATOM 654 O ILE A 45 -3.751 -7.972 6.104 1.00 0.00 O ATOM 655 CB ILE A 45 -2.481 -5.226 4.642 1.00 0.00 C ATOM 656 CG1 ILE A 45 -2.503 -3.704 4.742 1.00 0.00 C ATOM 657 CG2 ILE A 45 -3.581 -5.689 3.685 1.00 0.00 C ATOM 658 CD1 ILE A 45 -1.752 -3.116 3.559 1.00 0.00 C ATOM 0 H ILE A 45 -0.936 -4.728 6.402 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.720 -5.517 6.398 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.513 -5.561 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.531 -3.343 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.043 -3.382 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.399 -5.274 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.580 -6.778 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.549 -5.346 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.764 -2.028 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.721 -3.469 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.232 -3.429 2.632 1.00 0.00 H new ATOM 670 N GLU A 46 -1.569 -7.939 5.843 1.00 0.00 N ATOM 671 CA GLU A 46 -1.519 -9.432 5.824 1.00 0.00 C ATOM 672 C GLU A 46 -2.227 -9.968 7.067 1.00 0.00 C ATOM 673 O GLU A 46 -2.995 -10.907 7.007 1.00 0.00 O ATOM 674 CB GLU A 46 -0.033 -9.793 5.855 1.00 0.00 C ATOM 675 CG GLU A 46 0.129 -11.313 5.943 1.00 0.00 C ATOM 676 CD GLU A 46 1.286 -11.650 6.886 1.00 0.00 C ATOM 677 OE1 GLU A 46 2.212 -10.861 6.962 1.00 0.00 O ATOM 678 OE2 GLU A 46 1.225 -12.694 7.515 1.00 0.00 O ATOM 0 H GLU A 46 -0.670 -7.468 5.740 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.010 -9.858 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.461 -9.417 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.449 -9.317 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.793 -11.767 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.321 -11.727 4.953 1.00 0.00 H new ATOM 685 N ARG A 47 -1.981 -9.356 8.192 1.00 0.00 N ATOM 686 CA ARG A 47 -2.649 -9.804 9.441 1.00 0.00 C ATOM 687 C ARG A 47 -4.167 -9.760 9.254 1.00 0.00 C ATOM 688 O ARG A 47 -4.885 -10.616 9.727 1.00 0.00 O ATOM 689 CB ARG A 47 -2.209 -8.796 10.503 1.00 0.00 C ATOM 690 CG ARG A 47 -1.146 -9.429 11.400 1.00 0.00 C ATOM 691 CD ARG A 47 -0.791 -8.462 12.533 1.00 0.00 C ATOM 692 NE ARG A 47 -1.199 -9.168 13.781 1.00 0.00 N ATOM 693 CZ ARG A 47 -0.421 -9.139 14.830 1.00 0.00 C ATOM 694 NH1 ARG A 47 0.819 -9.530 14.731 1.00 0.00 N ATOM 695 NH2 ARG A 47 -0.885 -8.718 15.976 1.00 0.00 N ATOM 0 H ARG A 47 -1.346 -8.565 8.298 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.386 -10.825 9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.811 -7.900 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.066 -8.485 11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.515 -10.368 11.812 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.256 -9.665 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.275 -8.234 12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.319 -7.515 12.424 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.085 -9.673 13.816 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.180 -9.858 13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.428 -9.508 15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.855 -8.412 16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.277 -8.695 16.795 1.00 0.00 H new ATOM 709 N LEU A 48 -4.660 -8.765 8.567 1.00 0.00 N ATOM 710 CA LEU A 48 -6.131 -8.669 8.354 1.00 0.00 C ATOM 711 C LEU A 48 -6.582 -9.642 7.259 1.00 0.00 C ATOM 712 O LEU A 48 -7.732 -10.025 7.190 1.00 0.00 O ATOM 713 CB LEU A 48 -6.379 -7.231 7.911 1.00 0.00 C ATOM 714 CG LEU A 48 -6.080 -6.289 9.071 1.00 0.00 C ATOM 715 CD1 LEU A 48 -5.583 -4.962 8.521 1.00 0.00 C ATOM 716 CD2 LEU A 48 -7.349 -6.058 9.893 1.00 0.00 C ATOM 0 H LEU A 48 -4.109 -8.017 8.146 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.687 -8.924 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.747 -6.987 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.413 -7.111 7.587 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.317 -6.732 9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.367 -4.284 9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.676 -5.126 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.349 -4.523 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.129 -5.384 10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.118 -5.615 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.706 -7.010 10.286 1.00 0.00 H new ATOM 728 N LEU A 49 -5.693 -10.024 6.385 1.00 0.00 N ATOM 729 CA LEU A 49 -6.081 -10.948 5.279 1.00 0.00 C ATOM 730 C LEU A 49 -6.063 -12.413 5.727 1.00 0.00 C ATOM 731 O LEU A 49 -7.030 -13.131 5.565 1.00 0.00 O ATOM 732 CB LEU A 49 -5.042 -10.706 4.184 1.00 0.00 C ATOM 733 CG LEU A 49 -5.662 -9.841 3.083 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.220 -8.389 3.260 1.00 0.00 C ATOM 735 CD2 LEU A 49 -5.205 -10.350 1.715 1.00 0.00 C ATOM 0 H LEU A 49 -4.714 -9.737 6.387 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.099 -10.757 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.165 -10.211 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.705 -11.656 3.770 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.749 -9.898 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.663 -7.776 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.548 -8.025 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.133 -8.329 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.647 -9.734 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.118 -10.295 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.524 -11.384 1.586 1.00 0.00 H new ATOM 747 N LYS A 50 -4.969 -12.871 6.263 1.00 0.00 N ATOM 748 CA LYS A 50 -4.889 -14.300 6.689 1.00 0.00 C ATOM 749 C LYS A 50 -5.562 -14.525 8.048 1.00 0.00 C ATOM 750 O LYS A 50 -6.226 -15.520 8.261 1.00 0.00 O ATOM 751 CB LYS A 50 -3.394 -14.590 6.786 1.00 0.00 C ATOM 752 CG LYS A 50 -3.112 -16.001 6.274 1.00 0.00 C ATOM 753 CD LYS A 50 -1.718 -16.434 6.728 1.00 0.00 C ATOM 754 CE LYS A 50 -1.464 -17.882 6.295 1.00 0.00 C ATOM 755 NZ LYS A 50 -0.039 -18.153 6.643 1.00 0.00 N ATOM 0 H LYS A 50 -4.126 -12.321 6.426 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.404 -14.955 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.833 -13.861 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.061 -14.494 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.862 -16.695 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.177 -16.025 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.963 -15.777 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.634 -16.347 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.133 -18.570 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.639 -18.010 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.205 -19.128 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.576 -17.489 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.097 -18.032 7.667 1.00 0.00 H new ATOM 769 N GLU A 51 -5.380 -13.628 8.977 1.00 0.00 N ATOM 770 CA GLU A 51 -5.997 -13.823 10.323 1.00 0.00 C ATOM 771 C GLU A 51 -7.454 -13.354 10.343 1.00 0.00 C ATOM 772 O GLU A 51 -8.291 -13.939 11.001 1.00 0.00 O ATOM 773 CB GLU A 51 -5.155 -12.971 11.272 1.00 0.00 C ATOM 774 CG GLU A 51 -5.220 -13.561 12.681 1.00 0.00 C ATOM 775 CD GLU A 51 -3.842 -13.464 13.337 1.00 0.00 C ATOM 776 OE1 GLU A 51 -3.511 -12.393 13.815 1.00 0.00 O ATOM 777 OE2 GLU A 51 -3.142 -14.463 13.349 1.00 0.00 O ATOM 0 H GLU A 51 -4.835 -12.773 8.866 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.010 -14.876 10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.121 -12.938 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.522 -11.945 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.958 -13.025 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.541 -14.602 12.637 1.00 0.00 H new ATOM 784 N TRP A 52 -7.768 -12.295 9.647 1.00 0.00 N ATOM 785 CA TRP A 52 -9.171 -11.791 9.656 1.00 0.00 C ATOM 786 C TRP A 52 -9.894 -12.131 8.346 1.00 0.00 C ATOM 787 O TRP A 52 -11.094 -12.314 8.325 1.00 0.00 O ATOM 788 CB TRP A 52 -9.039 -10.275 9.798 1.00 0.00 C ATOM 789 CG TRP A 52 -8.938 -9.901 11.241 1.00 0.00 C ATOM 790 CD1 TRP A 52 -7.913 -9.214 11.796 1.00 0.00 C ATOM 791 CD2 TRP A 52 -9.879 -10.172 12.315 1.00 0.00 C ATOM 792 NE1 TRP A 52 -8.167 -9.046 13.144 1.00 0.00 N ATOM 793 CE2 TRP A 52 -9.368 -9.620 13.513 1.00 0.00 C ATOM 794 CE3 TRP A 52 -11.113 -10.837 12.362 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -10.063 -9.726 14.719 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -11.817 -10.945 13.573 1.00 0.00 C ATOM 797 CH2 TRP A 52 -11.292 -10.392 14.750 1.00 0.00 C ATOM 0 H TRP A 52 -7.116 -11.759 9.074 1.00 0.00 H new ATOM 0 HA TRP A 52 -9.753 -12.243 10.459 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.156 -9.927 9.262 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -9.901 -9.783 9.346 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.040 -8.856 11.272 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -7.544 -8.558 13.788 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -11.525 -11.269 11.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -9.654 -9.297 15.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -12.768 -11.457 13.598 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -11.836 -10.480 15.679 1.00 0.00 H new ATOM 808 N GLN A 53 -9.185 -12.196 7.249 1.00 0.00 N ATOM 809 CA GLN A 53 -9.860 -12.501 5.951 1.00 0.00 C ATOM 810 C GLN A 53 -10.992 -11.490 5.727 1.00 0.00 C ATOM 811 O GLN A 53 -12.103 -11.698 6.174 1.00 0.00 O ATOM 812 CB GLN A 53 -10.416 -13.917 6.105 1.00 0.00 C ATOM 813 CG GLN A 53 -9.871 -14.804 4.986 1.00 0.00 C ATOM 814 CD GLN A 53 -10.395 -16.230 5.164 1.00 0.00 C ATOM 815 OE1 GLN A 53 -9.638 -17.179 5.118 1.00 0.00 O ATOM 816 NE2 GLN A 53 -11.668 -16.420 5.371 1.00 0.00 N ATOM 0 H GLN A 53 -8.177 -12.053 7.195 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.186 -12.436 5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.136 -14.325 7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.505 -13.897 6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.176 -14.412 4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.781 -14.801 5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.303 -15.623 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.029 -17.366 5.494 1.00 0.00 H new ATOM 825 N PRO A 54 -10.665 -10.406 5.064 1.00 0.00 N ATOM 826 CA PRO A 54 -11.660 -9.336 4.813 1.00 0.00 C ATOM 827 C PRO A 54 -12.758 -9.787 3.847 1.00 0.00 C ATOM 828 O PRO A 54 -12.498 -10.345 2.800 1.00 0.00 O ATOM 829 CB PRO A 54 -10.832 -8.213 4.196 1.00 0.00 C ATOM 830 CG PRO A 54 -9.651 -8.901 3.599 1.00 0.00 C ATOM 831 CD PRO A 54 -9.356 -10.074 4.489 1.00 0.00 C ATOM 0 HA PRO A 54 -12.182 -9.041 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.400 -7.672 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.528 -7.485 4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.864 -9.228 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.795 -8.228 3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.941 -10.910 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.631 -9.819 5.262 1.00 0.00 H new ATOM 839 N ASP A 55 -13.987 -9.518 4.193 1.00 0.00 N ATOM 840 CA ASP A 55 -15.121 -9.887 3.311 1.00 0.00 C ATOM 841 C ASP A 55 -15.197 -8.913 2.123 1.00 0.00 C ATOM 842 O ASP A 55 -15.563 -9.289 1.027 1.00 0.00 O ATOM 843 CB ASP A 55 -16.364 -9.757 4.193 1.00 0.00 C ATOM 844 CG ASP A 55 -17.619 -9.969 3.345 1.00 0.00 C ATOM 845 OD1 ASP A 55 -18.009 -9.040 2.657 1.00 0.00 O ATOM 846 OD2 ASP A 55 -18.170 -11.057 3.395 1.00 0.00 O ATOM 0 H ASP A 55 -14.253 -9.052 5.061 1.00 0.00 H new ATOM 0 HA ASP A 55 -15.020 -10.890 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.329 -10.490 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.390 -8.772 4.659 1.00 0.00 H new ATOM 851 N GLU A 56 -14.858 -7.660 2.331 1.00 0.00 N ATOM 852 CA GLU A 56 -14.921 -6.671 1.206 1.00 0.00 C ATOM 853 C GLU A 56 -13.735 -5.701 1.271 1.00 0.00 C ATOM 854 O GLU A 56 -13.136 -5.517 2.310 1.00 0.00 O ATOM 855 CB GLU A 56 -16.236 -5.919 1.415 1.00 0.00 C ATOM 856 CG GLU A 56 -17.329 -6.546 0.546 1.00 0.00 C ATOM 857 CD GLU A 56 -18.402 -5.500 0.239 1.00 0.00 C ATOM 858 OE1 GLU A 56 -19.224 -5.252 1.105 1.00 0.00 O ATOM 859 OE2 GLU A 56 -18.385 -4.966 -0.858 1.00 0.00 O ATOM 0 H GLU A 56 -14.543 -7.282 3.225 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.874 -7.158 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.526 -5.957 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.110 -4.867 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.899 -6.924 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.774 -7.398 1.061 1.00 0.00 H new ATOM 866 N ILE A 57 -13.379 -5.083 0.169 1.00 0.00 N ATOM 867 CA ILE A 57 -12.222 -4.129 0.195 1.00 0.00 C ATOM 868 C ILE A 57 -12.556 -2.795 -0.491 1.00 0.00 C ATOM 869 O ILE A 57 -13.162 -2.753 -1.543 1.00 0.00 O ATOM 870 CB ILE A 57 -11.058 -4.792 -0.535 1.00 0.00 C ATOM 871 CG1 ILE A 57 -10.977 -6.288 -0.207 1.00 0.00 C ATOM 872 CG2 ILE A 57 -9.776 -4.101 -0.082 1.00 0.00 C ATOM 873 CD1 ILE A 57 -10.881 -6.485 1.303 1.00 0.00 C ATOM 0 H ILE A 57 -13.833 -5.195 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.973 -3.906 1.233 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.200 -4.696 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.857 -6.802 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.109 -6.730 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.922 -4.552 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.826 -3.041 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.663 -4.215 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.824 -7.550 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.988 -5.986 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.763 -6.060 1.782 1.00 0.00 H new ATOM 885 N ILE A 58 -12.136 -1.711 0.105 1.00 0.00 N ATOM 886 CA ILE A 58 -12.377 -0.350 -0.471 1.00 0.00 C ATOM 887 C ILE A 58 -11.006 0.322 -0.649 1.00 0.00 C ATOM 888 O ILE A 58 -10.314 0.522 0.314 1.00 0.00 O ATOM 889 CB ILE A 58 -13.193 0.439 0.581 1.00 0.00 C ATOM 890 CG1 ILE A 58 -13.676 -0.455 1.748 1.00 0.00 C ATOM 891 CG2 ILE A 58 -14.393 1.110 -0.090 1.00 0.00 C ATOM 892 CD1 ILE A 58 -14.762 -1.417 1.277 1.00 0.00 C ATOM 0 H ILE A 58 -11.624 -1.709 0.987 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.905 -0.388 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.531 1.194 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.835 -1.018 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.061 0.168 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.964 1.664 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.042 1.795 -0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.029 0.349 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.087 -2.036 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -15.610 -0.849 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.366 -2.054 0.486 1.00 0.00 H new ATOM 904 N VAL A 59 -10.573 0.637 -1.845 1.00 0.00 N ATOM 905 CA VAL A 59 -9.204 1.250 -1.976 1.00 0.00 C ATOM 906 C VAL A 59 -9.173 2.467 -2.913 1.00 0.00 C ATOM 907 O VAL A 59 -9.928 2.566 -3.859 1.00 0.00 O ATOM 908 CB VAL A 59 -8.341 0.108 -2.509 1.00 0.00 C ATOM 909 CG1 VAL A 59 -6.958 0.620 -2.935 1.00 0.00 C ATOM 910 CG2 VAL A 59 -8.173 -0.927 -1.399 1.00 0.00 C ATOM 0 H VAL A 59 -11.087 0.504 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.850 1.646 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.827 -0.332 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.362 -0.212 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.073 1.368 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.456 1.068 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.559 -1.752 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.689 -0.463 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.151 -1.306 -1.103 1.00 0.00 H new ATOM 920 N GLY A 60 -8.274 3.386 -2.648 1.00 0.00 N ATOM 921 CA GLY A 60 -8.144 4.594 -3.510 1.00 0.00 C ATOM 922 C GLY A 60 -7.273 5.646 -2.809 1.00 0.00 C ATOM 923 O GLY A 60 -7.524 6.019 -1.683 1.00 0.00 O ATOM 0 H GLY A 60 -7.622 3.346 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.700 4.322 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.130 5.008 -3.722 1.00 0.00 H new ATOM 927 N LEU A 61 -6.249 6.133 -3.468 1.00 0.00 N ATOM 928 CA LEU A 61 -5.367 7.163 -2.841 1.00 0.00 C ATOM 929 C LEU A 61 -6.175 8.437 -2.560 1.00 0.00 C ATOM 930 O LEU A 61 -7.127 8.730 -3.256 1.00 0.00 O ATOM 931 CB LEU A 61 -4.273 7.444 -3.884 1.00 0.00 C ATOM 932 CG LEU A 61 -4.889 8.096 -5.127 1.00 0.00 C ATOM 933 CD1 LEU A 61 -4.781 9.618 -5.010 1.00 0.00 C ATOM 934 CD2 LEU A 61 -4.138 7.626 -6.375 1.00 0.00 C ATOM 0 H LEU A 61 -5.987 5.860 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.947 6.828 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.513 8.099 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.775 6.515 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.938 7.810 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.219 10.083 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.315 9.953 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.732 9.903 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.576 8.089 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.089 7.911 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.214 6.542 -6.458 1.00 0.00 H new ATOM 1156 N ALA A 76 -4.955 5.754 -9.697 1.00 0.00 N ATOM 1157 CA ALA A 76 -5.641 5.300 -8.461 1.00 0.00 C ATOM 1158 C ALA A 76 -6.589 4.152 -8.797 1.00 0.00 C ATOM 1159 O ALA A 76 -6.593 3.125 -8.149 1.00 0.00 O ATOM 1160 CB ALA A 76 -6.432 6.516 -7.982 1.00 0.00 C ATOM 0 HA ALA A 76 -4.946 4.941 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.970 6.263 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.747 7.340 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.144 6.813 -8.752 1.00 0.00 H new ATOM 1166 N ARG A 77 -7.391 4.316 -9.814 1.00 0.00 N ATOM 1167 CA ARG A 77 -8.331 3.225 -10.191 1.00 0.00 C ATOM 1168 C ARG A 77 -7.537 1.977 -10.569 1.00 0.00 C ATOM 1169 O ARG A 77 -7.808 0.885 -10.101 1.00 0.00 O ATOM 1170 CB ARG A 77 -9.115 3.754 -11.398 1.00 0.00 C ATOM 1171 CG ARG A 77 -9.768 5.095 -11.049 1.00 0.00 C ATOM 1172 CD ARG A 77 -9.598 6.065 -12.220 1.00 0.00 C ATOM 1173 NE ARG A 77 -10.962 6.203 -12.804 1.00 0.00 N ATOM 1174 CZ ARG A 77 -11.513 7.382 -12.903 1.00 0.00 C ATOM 1175 NH1 ARG A 77 -11.193 8.171 -13.892 1.00 0.00 N ATOM 1176 NH2 ARG A 77 -12.385 7.772 -12.013 1.00 0.00 N ATOM 0 H ARG A 77 -7.435 5.153 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.000 2.953 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.448 3.876 -12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.878 3.033 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.827 4.951 -10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.313 5.510 -10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.213 7.028 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.891 5.678 -12.954 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.465 5.376 -13.126 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.512 7.866 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.624 9.092 -13.969 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.636 7.155 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.816 8.693 -12.090 1.00 0.00 H new ATOM 1190 N LYS A 78 -6.548 2.130 -11.401 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.733 0.951 -11.792 1.00 0.00 C ATOM 1192 C LYS A 78 -4.965 0.435 -10.580 1.00 0.00 C ATOM 1193 O LYS A 78 -4.633 -0.733 -10.501 1.00 0.00 O ATOM 1194 CB LYS A 78 -4.779 1.459 -12.873 1.00 0.00 C ATOM 1195 CG LYS A 78 -3.944 0.294 -13.407 1.00 0.00 C ATOM 1196 CD LYS A 78 -3.794 0.426 -14.923 1.00 0.00 C ATOM 1197 CE LYS A 78 -3.762 -0.966 -15.555 1.00 0.00 C ATOM 1198 NZ LYS A 78 -2.319 -1.327 -15.616 1.00 0.00 N ATOM 0 H LYS A 78 -6.270 3.015 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.341 0.125 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.344 1.917 -13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.126 2.230 -12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.962 0.289 -12.933 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.422 -0.654 -13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.623 1.004 -15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.879 0.967 -15.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.324 -1.684 -14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.210 -0.959 -16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.215 -2.271 -16.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.811 -0.630 -16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.922 -1.332 -14.655 1.00 0.00 H new ATOM 1212 N PHE A 79 -4.700 1.281 -9.618 1.00 0.00 N ATOM 1213 CA PHE A 79 -3.978 0.788 -8.417 1.00 0.00 C ATOM 1214 C PHE A 79 -4.885 -0.194 -7.688 1.00 0.00 C ATOM 1215 O PHE A 79 -4.453 -1.230 -7.222 1.00 0.00 O ATOM 1216 CB PHE A 79 -3.688 2.003 -7.541 1.00 0.00 C ATOM 1217 CG PHE A 79 -2.921 1.529 -6.330 1.00 0.00 C ATOM 1218 CD1 PHE A 79 -1.658 0.947 -6.495 1.00 0.00 C ATOM 1219 CD2 PHE A 79 -3.479 1.644 -5.052 1.00 0.00 C ATOM 1220 CE1 PHE A 79 -0.952 0.482 -5.380 1.00 0.00 C ATOM 1221 CE2 PHE A 79 -2.769 1.181 -3.936 1.00 0.00 C ATOM 1222 CZ PHE A 79 -1.507 0.599 -4.102 1.00 0.00 C ATOM 0 H PHE A 79 -4.948 2.270 -9.614 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.046 0.283 -8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.109 2.743 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.617 2.486 -7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.229 0.857 -7.482 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.455 2.089 -4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.022 0.033 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.196 1.273 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.961 0.240 -3.242 1.00 0.00 H new ATOM 1232 N ALA A 80 -6.154 0.110 -7.615 1.00 0.00 N ATOM 1233 CA ALA A 80 -7.096 -0.826 -6.950 1.00 0.00 C ATOM 1234 C ALA A 80 -7.015 -2.174 -7.662 1.00 0.00 C ATOM 1235 O ALA A 80 -7.169 -3.219 -7.063 1.00 0.00 O ATOM 1236 CB ALA A 80 -8.482 -0.202 -7.122 1.00 0.00 C ATOM 0 H ALA A 80 -6.574 0.962 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.871 -0.985 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.230 -0.842 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.499 0.781 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.706 -0.100 -8.184 1.00 0.00 H new ATOM 1242 N ASN A 81 -6.752 -2.154 -8.945 1.00 0.00 N ATOM 1243 CA ASN A 81 -6.635 -3.436 -9.692 1.00 0.00 C ATOM 1244 C ASN A 81 -5.379 -4.189 -9.238 1.00 0.00 C ATOM 1245 O ASN A 81 -5.308 -5.399 -9.322 1.00 0.00 O ATOM 1246 CB ASN A 81 -6.517 -3.030 -11.161 1.00 0.00 C ATOM 1247 CG ASN A 81 -7.766 -3.480 -11.918 1.00 0.00 C ATOM 1248 OD1 ASN A 81 -8.865 -3.067 -11.603 1.00 0.00 O ATOM 1249 ND2 ASN A 81 -7.644 -4.317 -12.911 1.00 0.00 N ATOM 0 H ASN A 81 -6.615 -1.310 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.485 -4.097 -9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.400 -1.949 -11.242 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.629 -3.481 -11.603 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.471 -4.625 -13.423 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.722 -4.664 -13.175 1.00 0.00 H new ATOM 1256 N ARG A 82 -4.387 -3.483 -8.756 1.00 0.00 N ATOM 1257 CA ARG A 82 -3.141 -4.170 -8.299 1.00 0.00 C ATOM 1258 C ARG A 82 -3.407 -4.950 -7.008 1.00 0.00 C ATOM 1259 O ARG A 82 -3.218 -6.149 -6.952 1.00 0.00 O ATOM 1260 CB ARG A 82 -2.132 -3.046 -8.050 1.00 0.00 C ATOM 1261 CG ARG A 82 -0.714 -3.622 -8.074 1.00 0.00 C ATOM 1262 CD ARG A 82 0.289 -2.502 -8.367 1.00 0.00 C ATOM 1263 NE ARG A 82 1.307 -2.603 -7.285 1.00 0.00 N ATOM 1264 CZ ARG A 82 2.541 -2.912 -7.575 1.00 0.00 C ATOM 1265 NH1 ARG A 82 2.863 -4.154 -7.813 1.00 0.00 N ATOM 1266 NH2 ARG A 82 3.456 -1.982 -7.624 1.00 0.00 N ATOM 0 H ARG A 82 -4.386 -2.468 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.776 -4.888 -9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.236 -2.274 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.328 -2.573 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.484 -4.089 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.639 -4.400 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.744 -2.627 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.197 -1.526 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 82 1.039 -2.430 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.150 -4.882 -7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.827 -4.396 -8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.207 -1.011 -7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.420 -2.226 -7.851 1.00 0.00 H new ATOM 1280 N ILE A 83 -3.855 -4.289 -5.970 1.00 0.00 N ATOM 1281 CA ILE A 83 -4.139 -5.014 -4.701 1.00 0.00 C ATOM 1282 C ILE A 83 -5.149 -6.136 -4.958 1.00 0.00 C ATOM 1283 O ILE A 83 -5.103 -7.183 -4.342 1.00 0.00 O ATOM 1284 CB ILE A 83 -4.742 -3.964 -3.773 1.00 0.00 C ATOM 1285 CG1 ILE A 83 -6.000 -3.376 -4.426 1.00 0.00 C ATOM 1286 CG2 ILE A 83 -3.717 -2.856 -3.518 1.00 0.00 C ATOM 1287 CD1 ILE A 83 -6.583 -2.290 -3.525 1.00 0.00 C ATOM 0 H ILE A 83 -4.034 -3.285 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.246 -5.471 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.011 -4.423 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.754 -2.959 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.738 -4.161 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.149 -2.106 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.828 -3.283 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.443 -2.389 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.476 -1.873 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.844 -2.721 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.845 -1.500 -3.383 1.00 0.00 H new ATOM 1299 N HIS A 84 -6.060 -5.918 -5.867 1.00 0.00 N ATOM 1300 CA HIS A 84 -7.078 -6.962 -6.175 1.00 0.00 C ATOM 1301 C HIS A 84 -6.391 -8.235 -6.671 1.00 0.00 C ATOM 1302 O HIS A 84 -6.716 -9.331 -6.260 1.00 0.00 O ATOM 1303 CB HIS A 84 -7.938 -6.353 -7.285 1.00 0.00 C ATOM 1304 CG HIS A 84 -9.185 -7.174 -7.462 1.00 0.00 C ATOM 1305 ND1 HIS A 84 -10.433 -6.596 -7.635 1.00 0.00 N ATOM 1306 CD2 HIS A 84 -9.391 -8.530 -7.500 1.00 0.00 C ATOM 1307 CE1 HIS A 84 -11.327 -7.594 -7.768 1.00 0.00 C ATOM 1308 NE2 HIS A 84 -10.744 -8.793 -7.693 1.00 0.00 N ATOM 0 H HIS A 84 -6.143 -5.059 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.669 -7.238 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.199 -5.325 -7.034 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.376 -6.320 -8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.620 -9.279 -7.396 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.386 -7.443 -7.917 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.194 -9.706 -7.762 1.00 0.00 H new ATOM 1316 N GLY A 85 -5.442 -8.095 -7.554 1.00 0.00 N ATOM 1317 CA GLY A 85 -4.729 -9.291 -8.085 1.00 0.00 C ATOM 1318 C GLY A 85 -3.627 -9.716 -7.111 1.00 0.00 C ATOM 1319 O GLY A 85 -3.117 -10.815 -7.183 1.00 0.00 O ATOM 0 H GLY A 85 -5.128 -7.201 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.433 -10.110 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.297 -9.065 -9.060 1.00 0.00 H new ATOM 1323 N ARG A 86 -3.248 -8.856 -6.202 1.00 0.00 N ATOM 1324 CA ARG A 86 -2.175 -9.230 -5.238 1.00 0.00 C ATOM 1325 C ARG A 86 -2.633 -10.401 -4.366 1.00 0.00 C ATOM 1326 O ARG A 86 -1.911 -11.357 -4.166 1.00 0.00 O ATOM 1327 CB ARG A 86 -1.961 -7.982 -4.380 1.00 0.00 C ATOM 1328 CG ARG A 86 -0.526 -7.482 -4.554 1.00 0.00 C ATOM 1329 CD ARG A 86 -0.305 -7.065 -6.010 1.00 0.00 C ATOM 1330 NE ARG A 86 1.087 -7.487 -6.324 1.00 0.00 N ATOM 1331 CZ ARG A 86 1.373 -8.753 -6.454 1.00 0.00 C ATOM 1332 NH1 ARG A 86 0.921 -9.422 -7.479 1.00 0.00 N ATOM 1333 NH2 ARG A 86 2.109 -9.351 -5.559 1.00 0.00 N ATOM 0 H ARG A 86 -3.632 -7.918 -6.087 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.260 -9.544 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.666 -7.203 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.153 -8.211 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.341 -6.637 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.180 -8.265 -4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.023 -7.549 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.429 -5.989 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 86 1.819 -6.785 -6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.344 -8.955 -8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.145 -10.412 -7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.461 -8.829 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.332 -10.341 -5.661 1.00 0.00 H new ATOM 1347 N PHE A 87 -3.833 -10.340 -3.854 1.00 0.00 N ATOM 1348 CA PHE A 87 -4.335 -11.459 -3.005 1.00 0.00 C ATOM 1349 C PHE A 87 -5.610 -12.066 -3.602 1.00 0.00 C ATOM 1350 O PHE A 87 -6.049 -13.123 -3.199 1.00 0.00 O ATOM 1351 CB PHE A 87 -4.623 -10.833 -1.640 1.00 0.00 C ATOM 1352 CG PHE A 87 -3.878 -11.604 -0.575 1.00 0.00 C ATOM 1353 CD1 PHE A 87 -4.251 -12.919 -0.276 1.00 0.00 C ATOM 1354 CD2 PHE A 87 -2.812 -11.006 0.109 1.00 0.00 C ATOM 1355 CE1 PHE A 87 -3.559 -13.638 0.706 1.00 0.00 C ATOM 1356 CE2 PHE A 87 -2.119 -11.725 1.091 1.00 0.00 C ATOM 1357 CZ PHE A 87 -2.492 -13.041 1.390 1.00 0.00 C ATOM 0 H PHE A 87 -4.485 -9.567 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.610 -12.270 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.314 -9.788 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.694 -10.850 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.073 -13.380 -0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.524 -9.991 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.848 -14.653 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.297 -11.264 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.958 -13.595 2.147 1.00 0.00 H new ATOM 1367 N GLY A 88 -6.213 -11.404 -4.553 1.00 0.00 N ATOM 1368 CA GLY A 88 -7.461 -11.946 -5.160 1.00 0.00 C ATOM 1369 C GLY A 88 -8.655 -11.517 -4.307 1.00 0.00 C ATOM 1370 O GLY A 88 -9.580 -12.273 -4.085 1.00 0.00 O ATOM 0 H GLY A 88 -5.895 -10.513 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.575 -11.578 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.410 -13.033 -5.218 1.00 0.00 H new ATOM 1374 N VAL A 89 -8.632 -10.307 -3.825 1.00 0.00 N ATOM 1375 CA VAL A 89 -9.757 -9.815 -2.976 1.00 0.00 C ATOM 1376 C VAL A 89 -10.729 -8.974 -3.808 1.00 0.00 C ATOM 1377 O VAL A 89 -10.369 -8.393 -4.814 1.00 0.00 O ATOM 1378 CB VAL A 89 -9.106 -8.970 -1.889 1.00 0.00 C ATOM 1379 CG1 VAL A 89 -8.191 -9.851 -1.037 1.00 0.00 C ATOM 1380 CG2 VAL A 89 -8.288 -7.868 -2.544 1.00 0.00 C ATOM 0 H VAL A 89 -7.882 -9.634 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.336 -10.636 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.874 -8.530 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.725 -9.246 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.777 -10.646 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.418 -10.289 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.818 -7.257 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.518 -8.312 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.941 -7.244 -3.154 1.00 0.00 H new ATOM 1390 N GLU A 90 -11.963 -8.919 -3.395 1.00 0.00 N ATOM 1391 CA GLU A 90 -12.986 -8.135 -4.152 1.00 0.00 C ATOM 1392 C GLU A 90 -12.900 -6.645 -3.800 1.00 0.00 C ATOM 1393 O GLU A 90 -13.681 -6.138 -3.018 1.00 0.00 O ATOM 1394 CB GLU A 90 -14.330 -8.706 -3.696 1.00 0.00 C ATOM 1395 CG GLU A 90 -15.012 -9.418 -4.867 1.00 0.00 C ATOM 1396 CD GLU A 90 -15.789 -10.628 -4.344 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -15.266 -11.314 -3.481 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -16.892 -10.848 -4.815 1.00 0.00 O ATOM 0 H GLU A 90 -12.313 -9.386 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.842 -8.212 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.179 -9.403 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.969 -7.905 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.687 -8.733 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.267 -9.738 -5.596 1.00 0.00 H new ATOM 1405 N VAL A 91 -11.955 -5.943 -4.364 1.00 0.00 N ATOM 1406 CA VAL A 91 -11.810 -4.506 -4.065 1.00 0.00 C ATOM 1407 C VAL A 91 -12.451 -3.642 -5.153 1.00 0.00 C ATOM 1408 O VAL A 91 -12.548 -4.021 -6.303 1.00 0.00 O ATOM 1409 CB VAL A 91 -10.309 -4.277 -4.005 1.00 0.00 C ATOM 1410 CG1 VAL A 91 -9.720 -4.357 -5.405 1.00 0.00 C ATOM 1411 CG2 VAL A 91 -10.043 -2.901 -3.438 1.00 0.00 C ATOM 0 H VAL A 91 -11.274 -6.316 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.310 -4.231 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.851 -5.039 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.644 -4.192 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.918 -5.342 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.176 -3.594 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.968 -2.728 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.504 -2.148 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.465 -2.833 -2.435 1.00 0.00 H new ATOM 1421 N LYS A 92 -12.869 -2.479 -4.778 1.00 0.00 N ATOM 1422 CA LYS A 92 -13.496 -1.541 -5.750 1.00 0.00 C ATOM 1423 C LYS A 92 -12.756 -0.202 -5.711 1.00 0.00 C ATOM 1424 O LYS A 92 -12.112 0.128 -4.735 1.00 0.00 O ATOM 1425 CB LYS A 92 -14.938 -1.375 -5.272 1.00 0.00 C ATOM 1426 CG LYS A 92 -15.872 -1.324 -6.482 1.00 0.00 C ATOM 1427 CD LYS A 92 -16.103 -2.742 -7.007 1.00 0.00 C ATOM 1428 CE LYS A 92 -16.911 -3.545 -5.984 1.00 0.00 C ATOM 1429 NZ LYS A 92 -18.254 -3.714 -6.603 1.00 0.00 N ATOM 0 H LYS A 92 -12.805 -2.125 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.456 -1.907 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.214 -2.204 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.035 -0.462 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.822 -0.869 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.438 -0.701 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.635 -2.706 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.147 -3.231 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.445 -4.509 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.978 -3.018 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.867 -4.256 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.676 -2.780 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.159 -4.225 -7.504 1.00 0.00 H new ATOM 1443 N LEU A 93 -12.835 0.574 -6.756 1.00 0.00 N ATOM 1444 CA LEU A 93 -12.130 1.880 -6.761 1.00 0.00 C ATOM 1445 C LEU A 93 -13.115 2.985 -6.354 1.00 0.00 C ATOM 1446 O LEU A 93 -14.196 3.098 -6.897 1.00 0.00 O ATOM 1447 CB LEU A 93 -11.620 2.016 -8.215 1.00 0.00 C ATOM 1448 CG LEU A 93 -11.495 3.482 -8.670 1.00 0.00 C ATOM 1449 CD1 LEU A 93 -12.881 4.015 -9.029 1.00 0.00 C ATOM 1450 CD2 LEU A 93 -10.871 4.345 -7.563 1.00 0.00 C ATOM 0 H LEU A 93 -13.358 0.358 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.303 1.956 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.648 1.530 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.300 1.490 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.844 3.528 -9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.799 5.053 -9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.303 3.416 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.531 3.957 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.792 5.376 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.499 4.306 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.878 3.966 -7.323 1.00 0.00 H new ATOM 1462 N HIS A 94 -12.750 3.790 -5.395 1.00 0.00 N ATOM 1463 CA HIS A 94 -13.664 4.881 -4.945 1.00 0.00 C ATOM 1464 C HIS A 94 -13.539 6.099 -5.864 1.00 0.00 C ATOM 1465 O HIS A 94 -12.603 6.868 -5.769 1.00 0.00 O ATOM 1466 CB HIS A 94 -13.199 5.233 -3.532 1.00 0.00 C ATOM 1467 CG HIS A 94 -14.253 6.063 -2.852 1.00 0.00 C ATOM 1468 ND1 HIS A 94 -14.754 5.742 -1.601 1.00 0.00 N ATOM 1469 CD2 HIS A 94 -14.915 7.202 -3.240 1.00 0.00 C ATOM 1470 CE1 HIS A 94 -15.676 6.669 -1.283 1.00 0.00 C ATOM 1471 NE2 HIS A 94 -15.813 7.582 -2.249 1.00 0.00 N ATOM 0 H HIS A 94 -11.858 3.741 -4.902 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.709 4.572 -4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.013 4.323 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.258 5.782 -3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.761 7.723 -4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.237 6.674 -0.360 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.442 8.385 -2.258 1.00 0.00 H new ATOM 1909 N SER A 123 -4.506 9.313 7.890 1.00 0.00 N ATOM 1910 CA SER A 123 -5.163 8.081 7.363 1.00 0.00 C ATOM 1911 C SER A 123 -6.680 8.160 7.563 1.00 0.00 C ATOM 1912 O SER A 123 -7.377 7.167 7.482 1.00 0.00 O ATOM 1913 CB SER A 123 -4.572 6.936 8.185 1.00 0.00 C ATOM 1914 OG SER A 123 -4.773 7.198 9.567 1.00 0.00 O ATOM 0 HA SER A 123 -4.992 7.947 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.045 5.993 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.508 6.833 7.974 1.00 0.00 H new ATOM 0 HG SER A 123 -4.674 8.158 9.736 1.00 0.00 H new ATOM 1920 N ALA A 124 -7.198 9.330 7.819 1.00 0.00 N ATOM 1921 CA ALA A 124 -8.670 9.467 8.018 1.00 0.00 C ATOM 1922 C ALA A 124 -9.397 9.310 6.679 1.00 0.00 C ATOM 1923 O ALA A 124 -10.528 8.870 6.624 1.00 0.00 O ATOM 1924 CB ALA A 124 -8.863 10.879 8.571 1.00 0.00 C ATOM 0 H ALA A 124 -6.667 10.197 7.899 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.071 8.708 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.924 11.060 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.319 10.980 9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.484 11.606 7.853 1.00 0.00 H new ATOM 1930 N SER A 125 -8.755 9.667 5.601 1.00 0.00 N ATOM 1931 CA SER A 125 -9.402 9.540 4.262 1.00 0.00 C ATOM 1932 C SER A 125 -9.785 8.079 3.993 1.00 0.00 C ATOM 1933 O SER A 125 -10.633 7.794 3.174 1.00 0.00 O ATOM 1934 CB SER A 125 -8.346 10.011 3.262 1.00 0.00 C ATOM 1935 OG SER A 125 -8.099 11.398 3.458 1.00 0.00 O ATOM 0 H SER A 125 -7.807 10.043 5.589 1.00 0.00 H new ATOM 0 HA SER A 125 -10.318 10.126 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.425 9.444 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.688 9.831 2.243 1.00 0.00 H new ATOM 0 HG SER A 125 -7.421 11.703 2.819 1.00 0.00 H new ATOM 1941 N ALA A 126 -9.166 7.156 4.676 1.00 0.00 N ATOM 1942 CA ALA A 126 -9.494 5.721 4.461 1.00 0.00 C ATOM 1943 C ALA A 126 -10.726 5.355 5.280 1.00 0.00 C ATOM 1944 O ALA A 126 -11.684 4.840 4.745 1.00 0.00 O ATOM 1945 CB ALA A 126 -8.263 4.935 4.914 1.00 0.00 C ATOM 0 H ALA A 126 -8.445 7.336 5.375 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.725 5.497 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.443 3.868 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.400 5.235 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.067 5.141 5.966 1.00 0.00 H new ATOM 1951 N VAL A 127 -10.753 5.650 6.564 1.00 0.00 N ATOM 1952 CA VAL A 127 -11.999 5.331 7.334 1.00 0.00 C ATOM 1953 C VAL A 127 -13.137 6.093 6.644 1.00 0.00 C ATOM 1954 O VAL A 127 -14.285 5.698 6.675 1.00 0.00 O ATOM 1955 CB VAL A 127 -11.831 5.751 8.811 1.00 0.00 C ATOM 1956 CG1 VAL A 127 -12.440 4.665 9.679 1.00 0.00 C ATOM 1957 CG2 VAL A 127 -10.366 5.887 9.233 1.00 0.00 C ATOM 0 H VAL A 127 -9.996 6.082 7.094 1.00 0.00 H new ATOM 0 HA VAL A 127 -12.214 4.263 7.342 1.00 0.00 H new ATOM 0 HB VAL A 127 -12.314 6.721 8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -12.335 4.937 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -13.497 4.556 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -11.926 3.721 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -10.315 6.184 10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.859 4.931 9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -9.879 6.643 8.617 1.00 0.00 H new ATOM 1967 N ILE A 128 -12.794 7.153 5.941 1.00 0.00 N ATOM 1968 CA ILE A 128 -13.814 7.889 5.162 1.00 0.00 C ATOM 1969 C ILE A 128 -14.209 6.953 4.011 1.00 0.00 C ATOM 1970 O ILE A 128 -15.374 6.751 3.728 1.00 0.00 O ATOM 1971 CB ILE A 128 -13.097 9.180 4.694 1.00 0.00 C ATOM 1972 CG1 ILE A 128 -13.619 10.365 5.512 1.00 0.00 C ATOM 1973 CG2 ILE A 128 -13.341 9.465 3.202 1.00 0.00 C ATOM 1974 CD1 ILE A 128 -12.937 10.389 6.882 1.00 0.00 C ATOM 0 H ILE A 128 -11.848 7.530 5.882 1.00 0.00 H new ATOM 0 HA ILE A 128 -14.723 8.167 5.696 1.00 0.00 H new ATOM 0 HB ILE A 128 -12.026 9.040 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -13.425 11.298 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -14.699 10.287 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -12.820 10.379 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -12.966 8.632 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -14.410 9.586 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -13.312 11.234 7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -13.153 9.462 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -11.860 10.489 6.750 1.00 0.00 H new ATOM 1986 N ILE A 129 -13.232 6.329 3.386 1.00 0.00 N ATOM 1987 CA ILE A 129 -13.560 5.349 2.302 1.00 0.00 C ATOM 1988 C ILE A 129 -14.321 4.202 2.965 1.00 0.00 C ATOM 1989 O ILE A 129 -15.268 3.651 2.432 1.00 0.00 O ATOM 1990 CB ILE A 129 -12.208 4.871 1.756 1.00 0.00 C ATOM 1991 CG1 ILE A 129 -11.581 5.981 0.920 1.00 0.00 C ATOM 1992 CG2 ILE A 129 -12.381 3.628 0.868 1.00 0.00 C ATOM 1993 CD1 ILE A 129 -10.121 5.630 0.660 1.00 0.00 C ATOM 0 H ILE A 129 -12.238 6.455 3.578 1.00 0.00 H new ATOM 0 HA ILE A 129 -14.166 5.760 1.495 1.00 0.00 H new ATOM 0 HB ILE A 129 -11.569 4.617 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -12.117 6.093 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -11.653 6.935 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -11.408 3.310 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -12.826 2.823 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -13.032 3.869 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -9.659 6.416 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -9.594 5.539 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -10.065 4.684 0.122 1.00 0.00 H new ATOM 2005 N LEU A 130 -13.909 3.875 4.157 1.00 0.00 N ATOM 2006 CA LEU A 130 -14.576 2.803 4.937 1.00 0.00 C ATOM 2007 C LEU A 130 -16.037 3.207 5.159 1.00 0.00 C ATOM 2008 O LEU A 130 -16.945 2.419 5.018 1.00 0.00 O ATOM 2009 CB LEU A 130 -13.792 2.773 6.263 1.00 0.00 C ATOM 2010 CG LEU A 130 -13.977 1.445 7.006 1.00 0.00 C ATOM 2011 CD1 LEU A 130 -15.445 1.056 7.021 1.00 0.00 C ATOM 2012 CD2 LEU A 130 -13.176 0.344 6.322 1.00 0.00 C ATOM 0 H LEU A 130 -13.121 4.317 4.631 1.00 0.00 H new ATOM 0 HA LEU A 130 -14.581 1.827 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -12.733 2.932 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -14.123 3.594 6.899 1.00 0.00 H new ATOM 0 HG LEU A 130 -13.622 1.569 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -15.566 0.111 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -16.022 1.831 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -15.803 0.946 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.315 -0.594 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -13.520 0.229 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.119 0.609 6.323 1.00 0.00 H new ATOM 2024 N GLU A 131 -16.275 4.446 5.478 1.00 0.00 N ATOM 2025 CA GLU A 131 -17.679 4.898 5.674 1.00 0.00 C ATOM 2026 C GLU A 131 -18.458 4.722 4.364 1.00 0.00 C ATOM 2027 O GLU A 131 -19.671 4.665 4.353 1.00 0.00 O ATOM 2028 CB GLU A 131 -17.578 6.376 6.052 1.00 0.00 C ATOM 2029 CG GLU A 131 -18.918 6.849 6.617 1.00 0.00 C ATOM 2030 CD GLU A 131 -18.687 7.593 7.935 1.00 0.00 C ATOM 2031 OE1 GLU A 131 -17.782 8.409 7.981 1.00 0.00 O ATOM 2032 OE2 GLU A 131 -19.420 7.334 8.876 1.00 0.00 O ATOM 0 H GLU A 131 -15.562 5.163 5.611 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.201 4.328 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.788 6.521 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.310 6.969 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.415 7.503 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -19.577 5.996 6.780 1.00 0.00 H new ATOM 2039 N SER A 132 -17.760 4.648 3.256 1.00 0.00 N ATOM 2040 CA SER A 132 -18.444 4.488 1.938 1.00 0.00 C ATOM 2041 C SER A 132 -19.084 3.098 1.806 1.00 0.00 C ATOM 2042 O SER A 132 -20.260 2.980 1.520 1.00 0.00 O ATOM 2043 CB SER A 132 -17.338 4.678 0.894 1.00 0.00 C ATOM 2044 OG SER A 132 -16.777 3.416 0.553 1.00 0.00 O ATOM 0 H SER A 132 -16.742 4.692 3.210 1.00 0.00 H new ATOM 0 HA SER A 132 -19.256 5.205 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 132 -17.744 5.159 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 132 -16.563 5.337 1.287 1.00 0.00 H new ATOM 0 HG SER A 132 -15.991 3.245 1.113 1.00 0.00 H new ATOM 2050 N TYR A 133 -18.330 2.045 1.997 1.00 0.00 N ATOM 2051 CA TYR A 133 -18.935 0.684 1.861 1.00 0.00 C ATOM 2052 C TYR A 133 -20.134 0.554 2.816 1.00 0.00 C ATOM 2053 O TYR A 133 -21.147 -0.024 2.472 1.00 0.00 O ATOM 2054 CB TYR A 133 -17.792 -0.312 2.157 1.00 0.00 C ATOM 2055 CG TYR A 133 -17.989 -1.050 3.464 1.00 0.00 C ATOM 2056 CD1 TYR A 133 -18.681 -2.266 3.499 1.00 0.00 C ATOM 2057 CD2 TYR A 133 -17.463 -0.514 4.632 1.00 0.00 C ATOM 2058 CE1 TYR A 133 -18.839 -2.940 4.717 1.00 0.00 C ATOM 2059 CE2 TYR A 133 -17.620 -1.179 5.847 1.00 0.00 C ATOM 2060 CZ TYR A 133 -18.310 -2.397 5.891 1.00 0.00 C ATOM 2061 OH TYR A 133 -18.459 -3.064 7.082 1.00 0.00 O ATOM 0 H TYR A 133 -17.339 2.066 2.237 1.00 0.00 H new ATOM 0 HA TYR A 133 -19.337 0.485 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -17.724 -1.034 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -16.844 0.226 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -19.091 -2.683 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -16.929 0.424 4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -19.370 -3.880 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -17.210 -0.756 6.752 1.00 0.00 H new ATOM 0 HH TYR A 133 -18.301 -2.445 7.825 1.00 0.00 H new ATOM 2071 N PHE A 134 -20.038 1.099 4.002 1.00 0.00 N ATOM 2072 CA PHE A 134 -21.192 1.010 4.944 1.00 0.00 C ATOM 2073 C PHE A 134 -22.433 1.587 4.266 1.00 0.00 C ATOM 2074 O PHE A 134 -23.544 1.141 4.481 1.00 0.00 O ATOM 2075 CB PHE A 134 -20.805 1.866 6.153 1.00 0.00 C ATOM 2076 CG PHE A 134 -19.933 1.066 7.088 1.00 0.00 C ATOM 2077 CD1 PHE A 134 -20.291 -0.239 7.441 1.00 0.00 C ATOM 2078 CD2 PHE A 134 -18.757 1.628 7.594 1.00 0.00 C ATOM 2079 CE1 PHE A 134 -19.469 -0.983 8.294 1.00 0.00 C ATOM 2080 CE2 PHE A 134 -17.940 0.886 8.451 1.00 0.00 C ATOM 2081 CZ PHE A 134 -18.291 -0.420 8.800 1.00 0.00 C ATOM 0 H PHE A 134 -19.220 1.596 4.355 1.00 0.00 H new ATOM 0 HA PHE A 134 -21.412 -0.016 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -20.276 2.760 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -21.701 2.201 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -21.202 -0.672 7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -18.480 2.636 7.322 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -19.743 -1.993 8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.035 1.324 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.656 -0.994 9.458 1.00 0.00 H new ATOM 2091 N GLU A 135 -22.243 2.579 3.441 1.00 0.00 N ATOM 2092 CA GLU A 135 -23.394 3.200 2.731 1.00 0.00 C ATOM 2093 C GLU A 135 -23.786 2.354 1.516 1.00 0.00 C ATOM 2094 O GLU A 135 -24.938 2.291 1.140 1.00 0.00 O ATOM 2095 CB GLU A 135 -22.890 4.572 2.288 1.00 0.00 C ATOM 2096 CG GLU A 135 -24.081 5.482 1.986 1.00 0.00 C ATOM 2097 CD GLU A 135 -23.617 6.940 1.948 1.00 0.00 C ATOM 2098 OE1 GLU A 135 -22.882 7.330 2.838 1.00 0.00 O ATOM 2099 OE2 GLU A 135 -24.005 7.640 1.027 1.00 0.00 O ATOM 0 H GLU A 135 -21.333 2.988 3.227 1.00 0.00 H new ATOM 0 HA GLU A 135 -24.278 3.274 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -22.271 5.013 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -22.262 4.472 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -24.528 5.207 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -24.851 5.355 2.747 1.00 0.00 H new