USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 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 66 GLN : amide:sc= -0.862 X(o=-3.8,f=-4.2) USER MOD Set 1.2: A 67 GLN : amide:sc= -2.94! C(o=-3.8!,f=-6.4!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -129:sc= -3.47! (180deg=-6.6!) USER MOD Set 2.2: A 61 GLN : amide:sc= -2.84! C(o=-6.3!,f=-18!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -122:sc= 0.31! (180deg=-4.06!) USER MOD Set 3.2: A 33 TYR OH : rot -169:sc= 2.22 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.0375 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ -119:sc= -3.01! (180deg=-3.71!) USER MOD Single : A 2 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.097) USER MOD Single : A 3 THR OG1 : rot 157:sc= 1.62 USER MOD Single : A 9 SER OG : rot 83:sc= 0.445 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 0.818 (180deg=-0.718!) USER MOD Single : A 25 SER OG : rot 159:sc= -0.154 USER MOD Single : A 26 ASN : amide:sc= 0.774 K(o=0.77,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 1.07 K(o=1.1,f=-0.15) USER MOD Single : A 35 TYR OH : rot -71:sc= 0.206 USER MOD Single : A 44 THR OG1 : rot 141:sc= 1.18 USER MOD Single : A 49 GLN : amide:sc= 0.609 K(o=0.61,f=-3.4!) USER MOD Single : A 50 GLN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -127:sc= -2.37! (180deg=-6.81!) USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= 3.18 (180deg=0.454) USER MOD Single : A 58 THR OG1 : rot -129:sc= 0.449 USER MOD Single : A 68 HIS : no HE2:sc= -12.9! C(o=-13!,f=-16!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= -2.92! (180deg=-4.33!) USER MOD Single : A 82 ASN : amide:sc=-0.00443 K(o=-0.0044,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.509 -3.875 7.988 1.00 2.51 N ATOM 2 CA MET A 1 -7.540 -3.585 6.531 1.00 1.70 C ATOM 3 C MET A 1 -6.383 -4.365 5.908 1.00 1.39 C ATOM 4 O MET A 1 -5.386 -4.575 6.580 1.00 1.67 O ATOM 5 CB MET A 1 -7.351 -2.067 6.304 1.00 1.83 C ATOM 6 CG MET A 1 -7.460 -1.708 4.818 1.00 2.49 C ATOM 7 SD MET A 1 -7.438 0.054 4.395 1.00 2.93 S ATOM 8 CE MET A 1 -9.228 0.259 4.187 1.00 1.56 C ATOM 0 H1 MET A 1 -8.399 -4.334 8.270 1.00 2.51 H new ATOM 0 H2 MET A 1 -6.711 -4.508 8.199 1.00 2.51 H new ATOM 0 H3 MET A 1 -7.395 -2.987 8.516 1.00 2.51 H new ATOM 0 HA MET A 1 -8.489 -3.876 6.082 1.00 1.70 H new ATOM 0 HB2 MET A 1 -8.103 -1.516 6.869 1.00 1.83 H new ATOM 0 HB3 MET A 1 -6.377 -1.759 6.684 1.00 1.83 H new ATOM 0 HG2 MET A 1 -6.639 -2.193 4.291 1.00 2.49 H new ATOM 0 HG3 MET A 1 -8.385 -2.138 4.432 1.00 2.49 H new ATOM 0 HE1 MET A 1 -9.436 1.249 3.782 1.00 1.56 H new ATOM 0 HE2 MET A 1 -9.604 -0.500 3.501 1.00 1.56 H new ATOM 0 HE3 MET A 1 -9.721 0.151 5.153 1.00 1.56 H new ATOM 18 N GLN A 2 -6.516 -4.766 4.665 1.00 1.05 N ATOM 19 CA GLN A 2 -5.417 -5.531 4.009 1.00 0.99 C ATOM 20 C GLN A 2 -4.971 -4.800 2.741 1.00 0.91 C ATOM 21 O GLN A 2 -5.439 -5.075 1.648 1.00 1.49 O ATOM 22 CB GLN A 2 -5.906 -6.928 3.631 1.00 1.06 C ATOM 23 CG GLN A 2 -6.436 -7.660 4.869 1.00 1.81 C ATOM 24 CD GLN A 2 -7.297 -8.828 4.405 1.00 2.74 C ATOM 25 OE1 GLN A 2 -7.111 -9.958 4.810 1.00 3.56 O ATOM 26 NE2 GLN A 2 -8.255 -8.590 3.558 1.00 3.60 N ATOM 0 H GLN A 2 -7.336 -4.596 4.082 1.00 1.05 H new ATOM 0 HA GLN A 2 -4.581 -5.614 4.704 1.00 0.99 H new ATOM 0 HB2 GLN A 2 -6.692 -6.854 2.880 1.00 1.06 H new ATOM 0 HB3 GLN A 2 -5.091 -7.498 3.185 1.00 1.06 H new ATOM 0 HG2 GLN A 2 -5.608 -8.019 5.481 1.00 1.81 H new ATOM 0 HG3 GLN A 2 -7.021 -6.981 5.490 1.00 1.81 H new ATOM 0 HE21 GLN A 2 -8.411 -7.641 3.218 1.00 3.60 H new ATOM 0 HE22 GLN A 2 -8.850 -9.352 3.234 1.00 3.60 H new ATOM 35 N THR A 3 -4.088 -3.869 2.912 1.00 0.56 N ATOM 36 CA THR A 3 -3.594 -3.114 1.738 1.00 0.60 C ATOM 37 C THR A 3 -2.386 -3.865 1.156 1.00 0.53 C ATOM 38 O THR A 3 -1.476 -4.227 1.875 1.00 0.68 O ATOM 39 CB THR A 3 -3.211 -1.714 2.229 1.00 0.79 C ATOM 40 OG1 THR A 3 -4.363 -1.243 2.933 1.00 0.86 O ATOM 41 CG2 THR A 3 -3.053 -0.748 1.062 1.00 1.18 C ATOM 0 H THR A 3 -3.687 -3.597 3.810 1.00 0.56 H new ATOM 0 HA THR A 3 -4.345 -3.023 0.953 1.00 0.60 H new ATOM 0 HB THR A 3 -2.287 -1.762 2.806 1.00 0.79 H new ATOM 0 HG1 THR A 3 -4.096 -0.547 3.570 1.00 0.86 H new ATOM 0 HG21 THR A 3 -2.781 0.238 1.440 1.00 1.18 H new ATOM 0 HG22 THR A 3 -2.271 -1.109 0.394 1.00 1.18 H new ATOM 0 HG23 THR A 3 -3.994 -0.680 0.516 1.00 1.18 H new ATOM 49 N VAL A 4 -2.390 -4.075 -0.136 1.00 0.52 N ATOM 50 CA VAL A 4 -1.265 -4.815 -0.794 1.00 0.48 C ATOM 51 C VAL A 4 -0.501 -3.850 -1.689 1.00 0.48 C ATOM 52 O VAL A 4 -1.102 -3.031 -2.371 1.00 0.52 O ATOM 53 CB VAL A 4 -1.862 -5.962 -1.628 1.00 0.53 C ATOM 54 CG1 VAL A 4 -0.753 -6.682 -2.402 1.00 0.56 C ATOM 55 CG2 VAL A 4 -2.543 -6.973 -0.697 1.00 0.69 C ATOM 0 H VAL A 4 -3.127 -3.765 -0.769 1.00 0.52 H new ATOM 0 HA VAL A 4 -0.581 -5.226 -0.051 1.00 0.48 H new ATOM 0 HB VAL A 4 -2.587 -5.545 -2.327 1.00 0.53 H new ATOM 0 HG11 VAL A 4 -1.186 -7.492 -2.989 1.00 0.56 H new ATOM 0 HG12 VAL A 4 -0.257 -5.976 -3.068 1.00 0.56 H new ATOM 0 HG13 VAL A 4 -0.026 -7.091 -1.700 1.00 0.56 H new ATOM 0 HG21 VAL A 4 -2.966 -7.785 -1.289 1.00 0.69 H new ATOM 0 HG22 VAL A 4 -1.809 -7.376 0.001 1.00 0.69 H new ATOM 0 HG23 VAL A 4 -3.339 -6.477 -0.141 1.00 0.69 H new ATOM 65 N ILE A 5 0.797 -3.965 -1.644 1.00 0.48 N ATOM 66 CA ILE A 5 1.651 -3.076 -2.476 1.00 0.50 C ATOM 67 C ILE A 5 2.396 -3.916 -3.513 1.00 0.50 C ATOM 68 O ILE A 5 3.159 -4.787 -3.144 1.00 0.54 O ATOM 69 CB ILE A 5 2.674 -2.369 -1.562 1.00 0.52 C ATOM 70 CG1 ILE A 5 1.937 -1.633 -0.421 1.00 0.62 C ATOM 71 CG2 ILE A 5 3.490 -1.359 -2.395 1.00 0.51 C ATOM 72 CD1 ILE A 5 2.948 -1.175 0.634 1.00 1.99 C ATOM 0 H ILE A 5 1.302 -4.637 -1.066 1.00 0.48 H new ATOM 0 HA ILE A 5 1.033 -2.336 -2.984 1.00 0.50 H new ATOM 0 HB ILE A 5 3.346 -3.110 -1.129 1.00 0.52 H new ATOM 0 HG12 ILE A 5 1.397 -0.774 -0.819 1.00 0.62 H new ATOM 0 HG13 ILE A 5 1.197 -2.293 0.032 1.00 0.62 H new ATOM 0 HG21 ILE A 5 4.214 -0.858 -1.752 1.00 0.51 H new ATOM 0 HG22 ILE A 5 4.016 -1.885 -3.192 1.00 0.51 H new ATOM 0 HG23 ILE A 5 2.818 -0.619 -2.830 1.00 0.51 H new ATOM 0 HD11 ILE A 5 2.425 -0.656 1.438 1.00 1.99 H new ATOM 0 HD12 ILE A 5 3.468 -2.042 1.040 1.00 1.99 H new ATOM 0 HD13 ILE A 5 3.671 -0.500 0.176 1.00 1.99 H new ATOM 84 N PHE A 6 2.175 -3.635 -4.772 1.00 0.52 N ATOM 85 CA PHE A 6 2.874 -4.383 -5.855 1.00 0.54 C ATOM 86 C PHE A 6 4.127 -3.561 -6.151 1.00 0.55 C ATOM 87 O PHE A 6 4.109 -2.697 -7.014 1.00 0.61 O ATOM 88 CB PHE A 6 1.992 -4.435 -7.122 1.00 0.57 C ATOM 89 CG PHE A 6 0.693 -5.241 -6.926 1.00 0.76 C ATOM 90 CD1 PHE A 6 0.605 -6.252 -5.989 1.00 1.48 C ATOM 91 CD2 PHE A 6 -0.386 -5.023 -7.771 1.00 2.01 C ATOM 92 CE1 PHE A 6 -0.526 -7.038 -5.907 1.00 1.43 C ATOM 93 CE2 PHE A 6 -1.521 -5.810 -7.688 1.00 2.23 C ATOM 94 CZ PHE A 6 -1.589 -6.822 -6.756 1.00 1.17 C ATOM 0 H PHE A 6 1.533 -2.912 -5.097 1.00 0.52 H new ATOM 0 HA PHE A 6 3.098 -5.409 -5.562 1.00 0.54 H new ATOM 0 HB2 PHE A 6 1.739 -3.418 -7.422 1.00 0.57 H new ATOM 0 HB3 PHE A 6 2.565 -4.875 -7.938 1.00 0.57 H new ATOM 0 HD1 PHE A 6 1.429 -6.429 -5.314 1.00 1.48 H new ATOM 0 HD2 PHE A 6 -0.339 -4.230 -8.502 1.00 2.01 H new ATOM 0 HE1 PHE A 6 -0.578 -7.828 -5.172 1.00 1.43 H new ATOM 0 HE2 PHE A 6 -2.353 -5.631 -8.353 1.00 2.23 H new ATOM 0 HZ PHE A 6 -2.471 -7.442 -6.691 1.00 1.17 H new ATOM 104 N GLY A 7 5.173 -3.799 -5.409 1.00 0.67 N ATOM 105 CA GLY A 7 6.408 -2.992 -5.634 1.00 0.80 C ATOM 106 C GLY A 7 7.542 -3.875 -6.105 1.00 0.83 C ATOM 107 O GLY A 7 7.333 -5.013 -6.486 1.00 0.94 O ATOM 0 H GLY A 7 5.229 -4.501 -4.671 1.00 0.67 H new ATOM 0 HA2 GLY A 7 6.212 -2.216 -6.374 1.00 0.80 H new ATOM 0 HA3 GLY A 7 6.692 -2.487 -4.711 1.00 0.80 H new ATOM 111 N ARG A 8 8.716 -3.323 -6.107 1.00 0.92 N ATOM 112 CA ARG A 8 9.896 -4.108 -6.531 1.00 1.14 C ATOM 113 C ARG A 8 10.793 -4.347 -5.314 1.00 1.41 C ATOM 114 O ARG A 8 11.067 -3.438 -4.538 1.00 2.23 O ATOM 115 CB ARG A 8 10.695 -3.316 -7.584 1.00 1.44 C ATOM 116 CG ARG A 8 10.378 -3.763 -9.013 1.00 1.86 C ATOM 117 CD ARG A 8 11.696 -3.896 -9.811 1.00 2.30 C ATOM 118 NE ARG A 8 12.626 -4.945 -9.226 1.00 2.88 N ATOM 119 CZ ARG A 8 12.239 -5.749 -8.271 1.00 4.12 C ATOM 120 NH1 ARG A 8 11.158 -6.432 -8.459 1.00 5.41 N ATOM 121 NH2 ARG A 8 12.943 -5.814 -7.176 1.00 4.86 N ATOM 0 H ARG A 8 8.909 -2.360 -5.832 1.00 0.92 H new ATOM 0 HA ARG A 8 9.568 -5.057 -6.956 1.00 1.14 H new ATOM 0 HB2 ARG A 8 10.474 -2.254 -7.481 1.00 1.44 H new ATOM 0 HB3 ARG A 8 11.761 -3.439 -7.396 1.00 1.44 H new ATOM 0 HG2 ARG A 8 9.850 -4.716 -8.999 1.00 1.86 H new ATOM 0 HG3 ARG A 8 9.719 -3.040 -9.495 1.00 1.86 H new ATOM 0 HD2 ARG A 8 11.467 -4.154 -10.845 1.00 2.30 H new ATOM 0 HD3 ARG A 8 12.205 -2.932 -9.829 1.00 2.30 H new ATOM 0 HE ARG A 8 13.576 -5.024 -9.588 1.00 2.88 H new ATOM 0 HH11 ARG A 8 10.638 -6.333 -9.331 1.00 5.41 H new ATOM 0 HH12 ARG A 8 10.825 -7.070 -7.736 1.00 5.41 H new ATOM 0 HH21 ARG A 8 13.782 -5.243 -7.074 1.00 4.86 H new ATOM 0 HH22 ARG A 8 12.655 -6.436 -6.421 1.00 4.86 H new ATOM 135 N SER A 9 11.214 -5.570 -5.163 1.00 2.02 N ATOM 136 CA SER A 9 12.114 -5.927 -4.032 1.00 2.57 C ATOM 137 C SER A 9 13.483 -5.259 -4.219 1.00 2.69 C ATOM 138 O SER A 9 14.316 -5.761 -4.961 1.00 3.40 O ATOM 139 CB SER A 9 12.273 -7.455 -3.999 1.00 3.18 C ATOM 140 OG SER A 9 12.339 -7.845 -5.374 1.00 3.67 O ATOM 0 H SER A 9 10.971 -6.345 -5.780 1.00 2.02 H new ATOM 0 HA SER A 9 11.687 -5.578 -3.092 1.00 2.57 H new ATOM 0 HB2 SER A 9 13.175 -7.747 -3.461 1.00 3.18 H new ATOM 0 HB3 SER A 9 11.432 -7.929 -3.493 1.00 3.18 H new ATOM 0 HG SER A 9 13.255 -7.730 -5.703 1.00 3.67 H new ATOM 146 N GLY A 10 13.642 -4.108 -3.620 1.00 2.60 N ATOM 147 CA GLY A 10 14.943 -3.370 -3.720 1.00 2.92 C ATOM 148 C GLY A 10 14.819 -2.182 -4.674 1.00 2.68 C ATOM 149 O GLY A 10 15.808 -1.710 -5.204 1.00 2.94 O ATOM 0 H GLY A 10 12.926 -3.643 -3.063 1.00 2.60 H new ATOM 0 HA2 GLY A 10 15.245 -3.020 -2.733 1.00 2.92 H new ATOM 0 HA3 GLY A 10 15.723 -4.045 -4.071 1.00 2.92 H new ATOM 153 N CYS A 11 13.610 -1.725 -4.858 1.00 2.40 N ATOM 154 CA CYS A 11 13.377 -0.570 -5.774 1.00 2.30 C ATOM 155 C CYS A 11 13.122 0.712 -4.976 1.00 2.15 C ATOM 156 O CYS A 11 12.121 0.834 -4.281 1.00 2.20 O ATOM 157 CB CYS A 11 12.162 -0.891 -6.629 1.00 2.16 C ATOM 158 SG CYS A 11 11.129 0.471 -7.208 1.00 1.83 S ATOM 0 H CYS A 11 12.773 -2.101 -4.414 1.00 2.40 H new ATOM 0 HA CYS A 11 14.257 -0.409 -6.396 1.00 2.30 H new ATOM 0 HB2 CYS A 11 12.509 -1.439 -7.505 1.00 2.16 H new ATOM 0 HB3 CYS A 11 11.527 -1.570 -6.060 1.00 2.16 H new ATOM 163 N PRO A 12 14.023 1.665 -5.117 1.00 2.30 N ATOM 164 CA PRO A 12 14.189 2.762 -4.127 1.00 2.40 C ATOM 165 C PRO A 12 12.886 3.543 -3.927 1.00 2.11 C ATOM 166 O PRO A 12 12.614 4.052 -2.839 1.00 2.38 O ATOM 167 CB PRO A 12 15.284 3.649 -4.734 1.00 2.94 C ATOM 168 CG PRO A 12 15.328 3.291 -6.237 1.00 2.86 C ATOM 169 CD PRO A 12 14.877 1.827 -6.323 1.00 2.67 C ATOM 0 HA PRO A 12 14.453 2.390 -3.137 1.00 2.40 H new ATOM 0 HB2 PRO A 12 15.057 4.705 -4.590 1.00 2.94 H new ATOM 0 HB3 PRO A 12 16.247 3.462 -4.259 1.00 2.94 H new ATOM 0 HG2 PRO A 12 14.669 3.939 -6.814 1.00 2.86 H new ATOM 0 HG3 PRO A 12 16.332 3.417 -6.641 1.00 2.86 H new ATOM 0 HD2 PRO A 12 14.321 1.630 -7.240 1.00 2.67 H new ATOM 0 HD3 PRO A 12 15.725 1.143 -6.311 1.00 2.67 H new ATOM 177 N TYR A 13 12.119 3.609 -4.986 1.00 2.08 N ATOM 178 CA TYR A 13 10.831 4.355 -4.925 1.00 1.92 C ATOM 179 C TYR A 13 9.676 3.421 -4.556 1.00 1.51 C ATOM 180 O TYR A 13 8.820 3.802 -3.785 1.00 1.58 O ATOM 181 CB TYR A 13 10.554 5.002 -6.291 1.00 2.08 C ATOM 182 CG TYR A 13 9.348 5.955 -6.193 1.00 1.62 C ATOM 183 CD1 TYR A 13 9.383 7.062 -5.361 1.00 2.21 C ATOM 184 CD2 TYR A 13 8.216 5.737 -6.956 1.00 1.96 C ATOM 185 CE1 TYR A 13 8.313 7.931 -5.301 1.00 2.47 C ATOM 186 CE2 TYR A 13 7.142 6.608 -6.889 1.00 2.05 C ATOM 187 CZ TYR A 13 7.187 7.711 -6.057 1.00 2.06 C ATOM 188 OH TYR A 13 6.118 8.573 -5.951 1.00 2.69 O ATOM 0 H TYR A 13 12.330 3.179 -5.886 1.00 2.08 H new ATOM 0 HA TYR A 13 10.909 5.124 -4.157 1.00 1.92 H new ATOM 0 HB2 TYR A 13 11.434 5.551 -6.627 1.00 2.08 H new ATOM 0 HB3 TYR A 13 10.357 4.229 -7.034 1.00 2.08 H new ATOM 0 HD1 TYR A 13 10.256 7.247 -4.753 1.00 2.21 H new ATOM 0 HD2 TYR A 13 8.169 4.879 -7.610 1.00 1.96 H new ATOM 0 HE1 TYR A 13 8.361 8.793 -4.653 1.00 2.47 H new ATOM 0 HE2 TYR A 13 6.264 6.425 -7.490 1.00 2.05 H new ATOM 0 HH TYR A 13 5.401 8.280 -6.551 1.00 2.69 H new ATOM 198 N CYS A 14 9.694 2.209 -5.051 1.00 1.30 N ATOM 199 CA CYS A 14 8.566 1.286 -4.725 1.00 1.12 C ATOM 200 C CYS A 14 8.368 1.250 -3.211 1.00 1.00 C ATOM 201 O CYS A 14 7.259 1.348 -2.715 1.00 1.13 O ATOM 202 CB CYS A 14 8.902 -0.110 -5.243 1.00 1.15 C ATOM 203 SG CYS A 14 9.259 -0.265 -7.010 1.00 2.23 S ATOM 0 H CYS A 14 10.423 1.826 -5.653 1.00 1.30 H new ATOM 0 HA CYS A 14 7.647 1.634 -5.196 1.00 1.12 H new ATOM 0 HB2 CYS A 14 9.765 -0.478 -4.689 1.00 1.15 H new ATOM 0 HB3 CYS A 14 8.067 -0.769 -5.007 1.00 1.15 H new ATOM 208 N VAL A 15 9.467 1.136 -2.522 1.00 1.00 N ATOM 209 CA VAL A 15 9.417 1.104 -1.029 1.00 1.03 C ATOM 210 C VAL A 15 8.501 2.226 -0.468 1.00 1.00 C ATOM 211 O VAL A 15 7.746 1.991 0.450 1.00 1.14 O ATOM 212 CB VAL A 15 10.845 1.254 -0.487 1.00 1.14 C ATOM 213 CG1 VAL A 15 10.825 1.166 1.047 1.00 1.35 C ATOM 214 CG2 VAL A 15 11.703 0.100 -1.035 1.00 1.26 C ATOM 0 H VAL A 15 10.401 1.063 -2.926 1.00 1.00 H new ATOM 0 HA VAL A 15 8.994 0.153 -0.707 1.00 1.03 H new ATOM 0 HB VAL A 15 11.255 2.216 -0.794 1.00 1.14 H new ATOM 0 HG11 VAL A 15 11.840 1.273 1.431 1.00 1.35 H new ATOM 0 HG12 VAL A 15 10.199 1.963 1.449 1.00 1.35 H new ATOM 0 HG13 VAL A 15 10.422 0.200 1.351 1.00 1.35 H new ATOM 0 HG21 VAL A 15 12.722 0.193 -0.658 1.00 1.26 H new ATOM 0 HG22 VAL A 15 11.282 -0.852 -0.711 1.00 1.26 H new ATOM 0 HG23 VAL A 15 11.714 0.140 -2.124 1.00 1.26 H new ATOM 224 N ARG A 16 8.586 3.409 -1.043 1.00 0.94 N ATOM 225 CA ARG A 16 7.750 4.578 -0.565 1.00 0.97 C ATOM 226 C ARG A 16 6.301 4.182 -0.310 1.00 0.97 C ATOM 227 O ARG A 16 5.701 4.640 0.644 1.00 1.31 O ATOM 228 CB ARG A 16 7.847 5.721 -1.580 1.00 1.08 C ATOM 229 CG ARG A 16 9.172 6.496 -1.362 1.00 1.52 C ATOM 230 CD ARG A 16 10.395 5.552 -1.345 1.00 3.61 C ATOM 231 NE ARG A 16 10.485 4.828 -0.021 1.00 4.04 N ATOM 232 CZ ARG A 16 11.577 4.892 0.681 1.00 5.06 C ATOM 233 NH1 ARG A 16 12.721 4.771 0.061 1.00 6.61 N ATOM 234 NH2 ARG A 16 11.467 5.053 1.970 1.00 5.15 N ATOM 0 H ARG A 16 9.201 3.621 -1.828 1.00 0.94 H new ATOM 0 HA ARG A 16 8.146 4.915 0.393 1.00 0.97 H new ATOM 0 HB2 ARG A 16 7.808 5.325 -2.595 1.00 1.08 H new ATOM 0 HB3 ARG A 16 6.997 6.394 -1.468 1.00 1.08 H new ATOM 0 HG2 ARG A 16 9.295 7.235 -2.154 1.00 1.52 H new ATOM 0 HG3 ARG A 16 9.122 7.043 -0.420 1.00 1.52 H new ATOM 0 HD2 ARG A 16 10.316 4.829 -2.157 1.00 3.61 H new ATOM 0 HD3 ARG A 16 11.307 6.125 -1.516 1.00 3.61 H new ATOM 0 HE ARG A 16 9.689 4.290 0.321 1.00 4.04 H new ATOM 0 HH11 ARG A 16 12.741 4.630 -0.949 1.00 6.61 H new ATOM 0 HH12 ARG A 16 13.594 4.817 0.587 1.00 6.61 H new ATOM 0 HH21 ARG A 16 10.544 5.125 2.398 1.00 5.15 H new ATOM 0 HH22 ARG A 16 12.304 5.107 2.550 1.00 5.15 H new ATOM 248 N ALA A 17 5.775 3.317 -1.127 1.00 0.98 N ATOM 249 CA ALA A 17 4.364 2.883 -0.901 1.00 0.94 C ATOM 250 C ALA A 17 4.295 2.163 0.451 1.00 0.87 C ATOM 251 O ALA A 17 3.384 2.366 1.238 1.00 0.97 O ATOM 252 CB ALA A 17 3.953 1.934 -2.027 1.00 0.93 C ATOM 0 H ALA A 17 6.246 2.896 -1.928 1.00 0.98 H new ATOM 0 HA ALA A 17 3.689 3.739 -0.894 1.00 0.94 H new ATOM 0 HB1 ALA A 17 2.924 1.610 -1.872 1.00 0.93 H new ATOM 0 HB2 ALA A 17 4.031 2.450 -2.984 1.00 0.93 H new ATOM 0 HB3 ALA A 17 4.610 1.065 -2.028 1.00 0.93 H new ATOM 258 N LYS A 18 5.289 1.362 0.720 1.00 0.75 N ATOM 259 CA LYS A 18 5.291 0.618 2.003 1.00 0.82 C ATOM 260 C LYS A 18 5.603 1.552 3.166 1.00 0.76 C ATOM 261 O LYS A 18 5.177 1.298 4.280 1.00 0.73 O ATOM 262 CB LYS A 18 6.313 -0.514 1.902 1.00 1.01 C ATOM 263 CG LYS A 18 6.526 -1.148 3.278 1.00 1.27 C ATOM 264 CD LYS A 18 7.723 -0.467 3.953 1.00 1.38 C ATOM 265 CE LYS A 18 7.791 -0.901 5.416 1.00 1.84 C ATOM 266 NZ LYS A 18 6.650 -0.298 6.157 1.00 2.51 N ATOM 0 H LYS A 18 6.090 1.194 0.112 1.00 0.75 H new ATOM 0 HA LYS A 18 4.305 0.195 2.193 1.00 0.82 H new ATOM 0 HB2 LYS A 18 5.966 -1.267 1.195 1.00 1.01 H new ATOM 0 HB3 LYS A 18 7.258 -0.129 1.519 1.00 1.01 H new ATOM 0 HG2 LYS A 18 5.631 -1.033 3.890 1.00 1.27 H new ATOM 0 HG3 LYS A 18 6.707 -2.218 3.177 1.00 1.27 H new ATOM 0 HD2 LYS A 18 8.646 -0.735 3.439 1.00 1.38 H new ATOM 0 HD3 LYS A 18 7.624 0.617 3.887 1.00 1.38 H new ATOM 0 HE2 LYS A 18 7.753 -1.988 5.488 1.00 1.84 H new ATOM 0 HE3 LYS A 18 8.736 -0.585 5.858 1.00 1.84 H new ATOM 0 HZ1 LYS A 18 7.012 0.279 6.943 1.00 2.51 H new ATOM 0 HZ2 LYS A 18 6.096 0.302 5.513 1.00 2.51 H new ATOM 0 HZ3 LYS A 18 6.043 -1.053 6.534 1.00 2.51 H new ATOM 280 N ASP A 19 6.411 2.544 2.941 1.00 0.87 N ATOM 281 CA ASP A 19 6.692 3.480 4.056 1.00 0.95 C ATOM 282 C ASP A 19 5.367 3.949 4.644 1.00 0.76 C ATOM 283 O ASP A 19 5.099 3.740 5.812 1.00 0.72 O ATOM 284 CB ASP A 19 7.473 4.684 3.539 1.00 1.24 C ATOM 285 CG ASP A 19 8.871 4.239 3.166 1.00 1.97 C ATOM 286 OD1 ASP A 19 9.022 3.779 2.057 1.00 3.27 O ATOM 287 OD2 ASP A 19 9.730 4.388 4.005 1.00 2.51 O ATOM 0 H ASP A 19 6.879 2.745 2.057 1.00 0.87 H new ATOM 0 HA ASP A 19 7.284 2.976 4.819 1.00 0.95 H new ATOM 0 HB2 ASP A 19 6.971 5.115 2.673 1.00 1.24 H new ATOM 0 HB3 ASP A 19 7.516 5.461 4.302 1.00 1.24 H new ATOM 292 N LEU A 20 4.547 4.531 3.805 1.00 0.73 N ATOM 293 CA LEU A 20 3.216 5.036 4.278 1.00 0.65 C ATOM 294 C LEU A 20 2.462 4.023 5.160 1.00 0.67 C ATOM 295 O LEU A 20 2.150 4.322 6.298 1.00 0.85 O ATOM 296 CB LEU A 20 2.368 5.400 3.052 1.00 0.66 C ATOM 297 CG LEU A 20 0.924 5.779 3.450 1.00 0.67 C ATOM 298 CD1 LEU A 20 0.922 6.875 4.525 1.00 0.80 C ATOM 299 CD2 LEU A 20 0.210 6.320 2.209 1.00 0.92 C ATOM 0 H LEU A 20 4.739 4.679 2.814 1.00 0.73 H new ATOM 0 HA LEU A 20 3.395 5.910 4.904 1.00 0.65 H new ATOM 0 HB2 LEU A 20 2.831 6.233 2.524 1.00 0.66 H new ATOM 0 HB3 LEU A 20 2.346 4.557 2.361 1.00 0.66 H new ATOM 0 HG LEU A 20 0.422 4.896 3.846 1.00 0.67 H new ATOM 0 HD11 LEU A 20 -0.106 7.124 4.788 1.00 0.80 H new ATOM 0 HD12 LEU A 20 1.447 6.517 5.411 1.00 0.80 H new ATOM 0 HD13 LEU A 20 1.424 7.763 4.140 1.00 0.80 H new ATOM 0 HD21 LEU A 20 -0.813 6.594 2.468 1.00 0.92 H new ATOM 0 HD22 LEU A 20 0.738 7.199 1.839 1.00 0.92 H new ATOM 0 HD23 LEU A 20 0.195 5.553 1.435 1.00 0.92 H new ATOM 311 N ALA A 21 2.149 2.873 4.616 1.00 0.69 N ATOM 312 CA ALA A 21 1.400 1.835 5.405 1.00 0.87 C ATOM 313 C ALA A 21 1.865 1.754 6.871 1.00 1.11 C ATOM 314 O ALA A 21 1.041 1.587 7.758 1.00 1.09 O ATOM 315 CB ALA A 21 1.546 0.467 4.720 1.00 1.00 C ATOM 0 H ALA A 21 2.378 2.604 3.659 1.00 0.69 H new ATOM 0 HA ALA A 21 0.351 2.131 5.427 1.00 0.87 H new ATOM 0 HB1 ALA A 21 1.003 -0.286 5.292 1.00 1.00 H new ATOM 0 HB2 ALA A 21 1.138 0.520 3.711 1.00 1.00 H new ATOM 0 HB3 ALA A 21 2.600 0.195 4.671 1.00 1.00 H new ATOM 321 N GLU A 22 3.153 1.859 7.114 1.00 1.40 N ATOM 322 CA GLU A 22 3.635 1.784 8.530 1.00 1.73 C ATOM 323 C GLU A 22 2.922 2.845 9.387 1.00 1.75 C ATOM 324 O GLU A 22 2.389 2.569 10.453 1.00 1.86 O ATOM 325 CB GLU A 22 5.143 2.050 8.547 1.00 2.04 C ATOM 326 CG GLU A 22 5.824 1.139 9.576 1.00 1.99 C ATOM 327 CD GLU A 22 6.093 -0.235 8.958 1.00 1.83 C ATOM 328 OE1 GLU A 22 5.119 -0.919 8.705 1.00 3.11 O ATOM 329 OE2 GLU A 22 7.260 -0.499 8.708 1.00 1.77 O ATOM 0 H GLU A 22 3.877 1.991 6.408 1.00 1.40 H new ATOM 0 HA GLU A 22 3.419 0.797 8.938 1.00 1.73 H new ATOM 0 HB2 GLU A 22 5.563 1.872 7.557 1.00 2.04 H new ATOM 0 HB3 GLU A 22 5.334 3.095 8.791 1.00 2.04 H new ATOM 0 HG2 GLU A 22 6.760 1.587 9.908 1.00 1.99 H new ATOM 0 HG3 GLU A 22 5.191 1.034 10.457 1.00 1.99 H new ATOM 336 N LYS A 23 2.949 4.052 8.888 1.00 1.74 N ATOM 337 CA LYS A 23 2.293 5.193 9.612 1.00 1.92 C ATOM 338 C LYS A 23 0.898 4.775 10.113 1.00 1.69 C ATOM 339 O LYS A 23 0.562 4.945 11.267 1.00 1.97 O ATOM 340 CB LYS A 23 2.185 6.372 8.618 1.00 2.02 C ATOM 341 CG LYS A 23 1.840 7.716 9.305 1.00 2.53 C ATOM 342 CD LYS A 23 0.359 7.762 9.721 1.00 4.00 C ATOM 343 CE LYS A 23 -0.208 9.191 9.568 1.00 5.05 C ATOM 344 NZ LYS A 23 -1.589 9.275 10.127 1.00 5.98 N ATOM 0 H LYS A 23 3.398 4.303 8.007 1.00 1.74 H new ATOM 0 HA LYS A 23 2.880 5.485 10.483 1.00 1.92 H new ATOM 0 HB2 LYS A 23 3.129 6.476 8.083 1.00 2.02 H new ATOM 0 HB3 LYS A 23 1.421 6.144 7.875 1.00 2.02 H new ATOM 0 HG2 LYS A 23 2.472 7.852 10.183 1.00 2.53 H new ATOM 0 HG3 LYS A 23 2.056 8.541 8.626 1.00 2.53 H new ATOM 0 HD2 LYS A 23 -0.218 7.069 9.108 1.00 4.00 H new ATOM 0 HD3 LYS A 23 0.256 7.434 10.755 1.00 4.00 H new ATOM 0 HE2 LYS A 23 0.441 9.901 10.081 1.00 5.05 H new ATOM 0 HE3 LYS A 23 -0.219 9.472 8.515 1.00 5.05 H new ATOM 0 HZ1 LYS A 23 -2.092 10.074 9.691 1.00 5.98 H new ATOM 0 HZ2 LYS A 23 -2.100 8.392 9.924 1.00 5.98 H new ATOM 0 HZ3 LYS A 23 -1.539 9.417 11.156 1.00 5.98 H new ATOM 358 N LEU A 24 0.170 4.164 9.220 1.00 1.23 N ATOM 359 CA LEU A 24 -1.233 3.716 9.517 1.00 1.06 C ATOM 360 C LEU A 24 -1.280 2.508 10.462 1.00 0.92 C ATOM 361 O LEU A 24 -2.047 2.482 11.420 1.00 0.95 O ATOM 362 CB LEU A 24 -1.901 3.319 8.191 1.00 0.93 C ATOM 363 CG LEU A 24 -1.630 4.366 7.098 1.00 0.79 C ATOM 364 CD1 LEU A 24 -2.263 3.861 5.805 1.00 0.88 C ATOM 365 CD2 LEU A 24 -2.251 5.720 7.467 1.00 1.18 C ATOM 0 H LEU A 24 0.490 3.949 8.275 1.00 1.23 H new ATOM 0 HA LEU A 24 -1.750 4.541 10.008 1.00 1.06 H new ATOM 0 HB2 LEU A 24 -1.527 2.347 7.869 1.00 0.93 H new ATOM 0 HB3 LEU A 24 -2.976 3.214 8.339 1.00 0.93 H new ATOM 0 HG LEU A 24 -0.555 4.506 6.986 1.00 0.79 H new ATOM 0 HD11 LEU A 24 -2.088 4.583 5.008 1.00 0.88 H new ATOM 0 HD12 LEU A 24 -1.818 2.904 5.532 1.00 0.88 H new ATOM 0 HD13 LEU A 24 -3.336 3.734 5.950 1.00 0.88 H new ATOM 0 HD21 LEU A 24 -2.045 6.442 6.677 1.00 1.18 H new ATOM 0 HD22 LEU A 24 -3.329 5.607 7.582 1.00 1.18 H new ATOM 0 HD23 LEU A 24 -1.821 6.074 8.404 1.00 1.18 H new ATOM 377 N SER A 25 -0.519 1.503 10.139 1.00 0.85 N ATOM 378 CA SER A 25 -0.501 0.280 10.996 1.00 0.82 C ATOM 379 C SER A 25 -0.147 0.635 12.443 1.00 0.98 C ATOM 380 O SER A 25 -0.540 -0.050 13.362 1.00 1.13 O ATOM 381 CB SER A 25 0.505 -0.692 10.404 1.00 0.92 C ATOM 382 OG SER A 25 0.157 -0.677 9.024 1.00 1.50 O ATOM 0 H SER A 25 0.091 1.472 9.322 1.00 0.85 H new ATOM 0 HA SER A 25 -1.489 -0.180 11.017 1.00 0.82 H new ATOM 0 HB2 SER A 25 1.532 -0.367 10.569 1.00 0.92 H new ATOM 0 HB3 SER A 25 0.413 -1.688 10.837 1.00 0.92 H new ATOM 0 HG SER A 25 0.917 -0.993 8.492 1.00 1.50 H new ATOM 388 N ASN A 26 0.577 1.713 12.615 1.00 1.09 N ATOM 389 CA ASN A 26 0.955 2.149 13.998 1.00 1.32 C ATOM 390 C ASN A 26 -0.071 3.159 14.541 1.00 1.34 C ATOM 391 O ASN A 26 0.253 3.971 15.390 1.00 1.84 O ATOM 392 CB ASN A 26 2.335 2.821 13.952 1.00 1.67 C ATOM 393 CG ASN A 26 3.430 1.764 13.838 1.00 1.77 C ATOM 394 OD1 ASN A 26 3.899 1.237 14.823 1.00 2.18 O ATOM 395 ND2 ASN A 26 3.842 1.414 12.659 1.00 2.68 N ATOM 0 H ASN A 26 0.922 2.309 11.862 1.00 1.09 H new ATOM 0 HA ASN A 26 0.977 1.276 14.650 1.00 1.32 H new ATOM 0 HB2 ASN A 26 2.388 3.503 13.104 1.00 1.67 H new ATOM 0 HB3 ASN A 26 2.487 3.418 14.851 1.00 1.67 H new ATOM 0 HD21 ASN A 26 4.560 0.696 12.562 1.00 2.68 H new ATOM 0 HD22 ASN A 26 3.448 1.857 11.829 1.00 2.68 H new ATOM 402 N GLU A 27 -1.269 3.103 14.008 1.00 1.61 N ATOM 403 CA GLU A 27 -2.355 4.019 14.454 1.00 2.04 C ATOM 404 C GLU A 27 -3.677 3.261 14.624 1.00 2.24 C ATOM 405 O GLU A 27 -4.342 3.371 15.637 1.00 2.90 O ATOM 406 CB GLU A 27 -2.576 5.090 13.390 1.00 2.47 C ATOM 407 CG GLU A 27 -1.513 6.190 13.467 1.00 2.67 C ATOM 408 CD GLU A 27 -1.731 7.175 12.316 1.00 2.97 C ATOM 409 OE1 GLU A 27 -1.933 6.684 11.216 1.00 3.59 O ATOM 410 OE2 GLU A 27 -1.673 8.369 12.567 1.00 3.41 O ATOM 0 H GLU A 27 -1.539 2.450 13.272 1.00 1.61 H new ATOM 0 HA GLU A 27 -2.056 4.457 15.406 1.00 2.04 H new ATOM 0 HB2 GLU A 27 -2.555 4.631 12.401 1.00 2.47 H new ATOM 0 HB3 GLU A 27 -3.565 5.530 13.516 1.00 2.47 H new ATOM 0 HG2 GLU A 27 -1.577 6.709 14.424 1.00 2.67 H new ATOM 0 HG3 GLU A 27 -0.516 5.755 13.406 1.00 2.67 H new ATOM 417 N ARG A 28 -4.025 2.508 13.608 1.00 1.89 N ATOM 418 CA ARG A 28 -5.315 1.759 13.646 1.00 2.18 C ATOM 419 C ARG A 28 -5.087 0.249 13.820 1.00 2.05 C ATOM 420 O ARG A 28 -4.434 -0.374 13.000 1.00 2.64 O ATOM 421 CB ARG A 28 -6.069 2.022 12.326 1.00 2.25 C ATOM 422 CG ARG A 28 -6.204 3.539 12.080 1.00 2.01 C ATOM 423 CD ARG A 28 -5.075 4.041 11.156 1.00 1.96 C ATOM 424 NE ARG A 28 -5.038 5.538 11.216 1.00 2.55 N ATOM 425 CZ ARG A 28 -5.130 6.252 10.131 1.00 3.38 C ATOM 426 NH1 ARG A 28 -6.294 6.601 9.699 1.00 3.77 N ATOM 427 NH2 ARG A 28 -4.045 6.620 9.543 1.00 4.68 N ATOM 0 H ARG A 28 -3.473 2.382 12.760 1.00 1.89 H new ATOM 0 HA ARG A 28 -5.898 2.104 14.500 1.00 2.18 H new ATOM 0 HB2 ARG A 28 -5.536 1.558 11.496 1.00 2.25 H new ATOM 0 HB3 ARG A 28 -7.057 1.564 12.366 1.00 2.25 H new ATOM 0 HG2 ARG A 28 -7.173 3.755 11.630 1.00 2.01 H new ATOM 0 HG3 ARG A 28 -6.168 4.072 13.030 1.00 2.01 H new ATOM 0 HD2 ARG A 28 -4.117 3.626 11.469 1.00 1.96 H new ATOM 0 HD3 ARG A 28 -5.247 3.708 10.133 1.00 1.96 H new ATOM 0 HE ARG A 28 -4.939 6.003 12.118 1.00 2.55 H new ATOM 0 HH11 ARG A 28 -7.132 6.318 10.206 1.00 3.77 H new ATOM 0 HH12 ARG A 28 -6.376 7.160 8.850 1.00 3.77 H new ATOM 0 HH21 ARG A 28 -3.140 6.352 9.929 1.00 4.68 H new ATOM 0 HH22 ARG A 28 -4.091 7.180 8.692 1.00 4.68 H new ATOM 441 N ASP A 29 -5.702 -0.291 14.851 1.00 2.56 N ATOM 442 CA ASP A 29 -5.595 -1.752 15.182 1.00 2.68 C ATOM 443 C ASP A 29 -6.437 -2.554 14.190 1.00 2.31 C ATOM 444 O ASP A 29 -7.363 -3.263 14.548 1.00 3.16 O ATOM 445 CB ASP A 29 -6.141 -1.974 16.602 1.00 3.63 C ATOM 446 CG ASP A 29 -5.372 -1.128 17.622 1.00 4.56 C ATOM 447 OD1 ASP A 29 -5.333 0.076 17.416 1.00 4.51 O ATOM 448 OD2 ASP A 29 -4.890 -1.732 18.563 1.00 5.95 O ATOM 0 H ASP A 29 -6.291 0.238 15.495 1.00 2.56 H new ATOM 0 HA ASP A 29 -4.556 -2.075 15.124 1.00 2.68 H new ATOM 0 HB2 ASP A 29 -7.199 -1.716 16.633 1.00 3.63 H new ATOM 0 HB3 ASP A 29 -6.062 -3.029 16.865 1.00 3.63 H new ATOM 453 N ASP A 30 -6.066 -2.417 12.957 1.00 2.14 N ATOM 454 CA ASP A 30 -6.796 -3.099 11.867 1.00 1.73 C ATOM 455 C ASP A 30 -5.956 -3.080 10.588 1.00 1.75 C ATOM 456 O ASP A 30 -5.914 -4.046 9.846 1.00 2.70 O ATOM 457 CB ASP A 30 -8.112 -2.344 11.646 1.00 1.70 C ATOM 458 CG ASP A 30 -8.628 -2.607 10.240 1.00 2.31 C ATOM 459 OD1 ASP A 30 -9.167 -3.680 10.038 1.00 3.12 O ATOM 460 OD2 ASP A 30 -8.368 -1.750 9.415 1.00 2.85 O ATOM 0 H ASP A 30 -5.274 -1.851 12.653 1.00 2.14 H new ATOM 0 HA ASP A 30 -6.994 -4.139 12.128 1.00 1.73 H new ATOM 0 HB2 ASP A 30 -8.852 -2.662 12.380 1.00 1.70 H new ATOM 0 HB3 ASP A 30 -7.957 -1.275 11.792 1.00 1.70 H new ATOM 465 N PHE A 31 -5.336 -1.963 10.339 1.00 0.99 N ATOM 466 CA PHE A 31 -4.503 -1.831 9.111 1.00 0.89 C ATOM 467 C PHE A 31 -3.286 -2.770 9.197 1.00 0.92 C ATOM 468 O PHE A 31 -2.317 -2.467 9.870 1.00 0.95 O ATOM 469 CB PHE A 31 -4.079 -0.360 9.004 1.00 0.77 C ATOM 470 CG PHE A 31 -3.667 -0.027 7.567 1.00 0.61 C ATOM 471 CD1 PHE A 31 -2.401 -0.328 7.112 1.00 0.55 C ATOM 472 CD2 PHE A 31 -4.562 0.580 6.702 1.00 0.81 C ATOM 473 CE1 PHE A 31 -2.032 -0.025 5.818 1.00 0.67 C ATOM 474 CE2 PHE A 31 -4.194 0.879 5.408 1.00 0.94 C ATOM 475 CZ PHE A 31 -2.927 0.576 4.964 1.00 0.86 C ATOM 0 H PHE A 31 -5.369 -1.134 10.932 1.00 0.99 H new ATOM 0 HA PHE A 31 -5.061 -2.117 8.220 1.00 0.89 H new ATOM 0 HB2 PHE A 31 -4.901 0.286 9.312 1.00 0.77 H new ATOM 0 HB3 PHE A 31 -3.248 -0.164 9.682 1.00 0.77 H new ATOM 0 HD1 PHE A 31 -1.693 -0.805 7.774 1.00 0.55 H new ATOM 0 HD2 PHE A 31 -5.557 0.821 7.045 1.00 0.81 H new ATOM 0 HE1 PHE A 31 -1.036 -0.261 5.474 1.00 0.67 H new ATOM 0 HE2 PHE A 31 -4.901 1.352 4.742 1.00 0.94 H new ATOM 0 HZ PHE A 31 -2.637 0.809 3.950 1.00 0.86 H new ATOM 485 N GLN A 32 -3.361 -3.885 8.494 1.00 1.07 N ATOM 486 CA GLN A 32 -2.234 -4.873 8.521 1.00 1.19 C ATOM 487 C GLN A 32 -1.237 -4.605 7.407 1.00 1.61 C ATOM 488 O GLN A 32 -0.076 -4.421 7.642 1.00 3.74 O ATOM 489 CB GLN A 32 -2.796 -6.299 8.365 1.00 1.16 C ATOM 490 CG GLN A 32 -3.713 -6.657 9.548 1.00 1.30 C ATOM 491 CD GLN A 32 -4.347 -8.040 9.311 1.00 2.34 C ATOM 492 OE1 GLN A 32 -5.077 -8.241 8.364 1.00 2.83 O ATOM 493 NE2 GLN A 32 -4.090 -9.018 10.130 1.00 3.60 N ATOM 0 H GLN A 32 -4.152 -4.148 7.907 1.00 1.07 H new ATOM 0 HA GLN A 32 -1.719 -4.772 9.476 1.00 1.19 H new ATOM 0 HB2 GLN A 32 -3.353 -6.375 7.431 1.00 1.16 H new ATOM 0 HB3 GLN A 32 -1.975 -7.014 8.306 1.00 1.16 H new ATOM 0 HG2 GLN A 32 -3.141 -6.662 10.476 1.00 1.30 H new ATOM 0 HG3 GLN A 32 -4.492 -5.903 9.658 1.00 1.30 H new ATOM 0 HE21 GLN A 32 -3.478 -8.865 10.931 1.00 3.60 H new ATOM 0 HE22 GLN A 32 -4.501 -9.938 9.971 1.00 3.60 H new ATOM 502 N TYR A 33 -1.792 -4.572 6.255 1.00 0.80 N ATOM 503 CA TYR A 33 -1.038 -4.328 4.955 1.00 0.67 C ATOM 504 C TYR A 33 0.076 -5.373 4.680 1.00 0.65 C ATOM 505 O TYR A 33 0.683 -5.913 5.580 1.00 0.69 O ATOM 506 CB TYR A 33 -0.471 -2.891 4.946 1.00 0.85 C ATOM 507 CG TYR A 33 0.995 -2.802 5.394 1.00 0.73 C ATOM 508 CD1 TYR A 33 2.015 -3.116 4.519 1.00 0.81 C ATOM 509 CD2 TYR A 33 1.319 -2.353 6.659 1.00 0.84 C ATOM 510 CE1 TYR A 33 3.331 -2.981 4.904 1.00 0.92 C ATOM 511 CE2 TYR A 33 2.632 -2.218 7.043 1.00 1.01 C ATOM 512 CZ TYR A 33 3.648 -2.533 6.168 1.00 1.02 C ATOM 513 OH TYR A 33 4.964 -2.429 6.567 1.00 1.31 O ATOM 0 H TYR A 33 -2.794 -4.709 6.121 1.00 0.80 H new ATOM 0 HA TYR A 33 -1.753 -4.445 4.141 1.00 0.67 H new ATOM 0 HB2 TYR A 33 -0.559 -2.481 3.940 1.00 0.85 H new ATOM 0 HB3 TYR A 33 -1.080 -2.266 5.599 1.00 0.85 H new ATOM 0 HD1 TYR A 33 1.780 -3.470 3.526 1.00 0.81 H new ATOM 0 HD2 TYR A 33 0.531 -2.105 7.355 1.00 0.84 H new ATOM 0 HE1 TYR A 33 4.120 -3.228 4.210 1.00 0.92 H new ATOM 0 HE2 TYR A 33 2.868 -1.863 8.035 1.00 1.01 H new ATOM 0 HH TYR A 33 5.001 -2.275 7.534 1.00 1.31 H new ATOM 523 N GLN A 34 0.316 -5.614 3.410 1.00 0.63 N ATOM 524 CA GLN A 34 1.352 -6.616 2.982 1.00 0.66 C ATOM 525 C GLN A 34 2.148 -6.098 1.769 1.00 0.61 C ATOM 526 O GLN A 34 1.588 -5.484 0.869 1.00 0.58 O ATOM 527 CB GLN A 34 0.602 -7.917 2.611 1.00 0.71 C ATOM 528 CG GLN A 34 1.488 -8.912 1.830 1.00 1.01 C ATOM 529 CD GLN A 34 2.508 -9.578 2.756 1.00 2.05 C ATOM 530 OE1 GLN A 34 2.168 -10.118 3.784 1.00 2.86 O ATOM 531 NE2 GLN A 34 3.761 -9.602 2.422 1.00 3.31 N ATOM 0 H GLN A 34 -0.169 -5.153 2.640 1.00 0.63 H new ATOM 0 HA GLN A 34 2.065 -6.791 3.788 1.00 0.66 H new ATOM 0 HB2 GLN A 34 0.240 -8.395 3.521 1.00 0.71 H new ATOM 0 HB3 GLN A 34 -0.274 -7.669 2.012 1.00 0.71 H new ATOM 0 HG2 GLN A 34 0.863 -9.673 1.364 1.00 1.01 H new ATOM 0 HG3 GLN A 34 2.007 -8.390 1.026 1.00 1.01 H new ATOM 0 HE21 GLN A 34 4.068 -9.153 1.559 1.00 3.31 H new ATOM 0 HE22 GLN A 34 4.440 -10.070 3.022 1.00 3.31 H new ATOM 540 N TYR A 35 3.415 -6.424 1.732 1.00 0.66 N ATOM 541 CA TYR A 35 4.249 -5.973 0.580 1.00 0.62 C ATOM 542 C TYR A 35 4.352 -7.136 -0.394 1.00 0.56 C ATOM 543 O TYR A 35 4.492 -8.278 0.015 1.00 0.67 O ATOM 544 CB TYR A 35 5.662 -5.579 1.054 1.00 0.72 C ATOM 545 CG TYR A 35 6.491 -5.015 -0.127 1.00 0.69 C ATOM 546 CD1 TYR A 35 7.053 -5.850 -1.078 1.00 0.85 C ATOM 547 CD2 TYR A 35 6.689 -3.657 -0.256 1.00 0.83 C ATOM 548 CE1 TYR A 35 7.798 -5.328 -2.133 1.00 0.90 C ATOM 549 CE2 TYR A 35 7.427 -3.138 -1.304 1.00 0.91 C ATOM 550 CZ TYR A 35 7.993 -3.963 -2.252 1.00 0.84 C ATOM 551 OH TYR A 35 8.733 -3.421 -3.297 1.00 1.00 O ATOM 0 H TYR A 35 3.902 -6.975 2.439 1.00 0.66 H new ATOM 0 HA TYR A 35 3.793 -5.102 0.109 1.00 0.62 H new ATOM 0 HB2 TYR A 35 5.592 -4.833 1.846 1.00 0.72 H new ATOM 0 HB3 TYR A 35 6.166 -6.448 1.478 1.00 0.72 H new ATOM 0 HD1 TYR A 35 6.912 -6.918 -1.001 1.00 0.85 H new ATOM 0 HD2 TYR A 35 6.260 -2.987 0.474 1.00 0.83 H new ATOM 0 HE1 TYR A 35 8.228 -5.995 -2.865 1.00 0.90 H new ATOM 0 HE2 TYR A 35 7.562 -2.069 -1.381 1.00 0.91 H new ATOM 0 HH TYR A 35 9.682 -3.629 -3.168 1.00 1.00 H new ATOM 561 N VAL A 36 4.240 -6.819 -1.649 1.00 0.51 N ATOM 562 CA VAL A 36 4.339 -7.846 -2.711 1.00 0.50 C ATOM 563 C VAL A 36 5.428 -7.384 -3.690 1.00 0.51 C ATOM 564 O VAL A 36 5.527 -6.200 -3.963 1.00 0.60 O ATOM 565 CB VAL A 36 2.939 -7.967 -3.349 1.00 0.48 C ATOM 566 CG1 VAL A 36 3.039 -8.235 -4.859 1.00 0.47 C ATOM 567 CG2 VAL A 36 2.204 -9.137 -2.680 1.00 0.50 C ATOM 0 H VAL A 36 4.081 -5.870 -1.988 1.00 0.51 H new ATOM 0 HA VAL A 36 4.625 -8.834 -2.351 1.00 0.50 H new ATOM 0 HB VAL A 36 2.401 -7.031 -3.203 1.00 0.48 H new ATOM 0 HG11 VAL A 36 2.037 -8.316 -5.281 1.00 0.47 H new ATOM 0 HG12 VAL A 36 3.571 -7.414 -5.340 1.00 0.47 H new ATOM 0 HG13 VAL A 36 3.580 -9.166 -5.028 1.00 0.47 H new ATOM 0 HG21 VAL A 36 1.211 -9.240 -3.117 1.00 0.50 H new ATOM 0 HG22 VAL A 36 2.767 -10.057 -2.836 1.00 0.50 H new ATOM 0 HG23 VAL A 36 2.112 -8.945 -1.611 1.00 0.50 H new ATOM 577 N ASP A 37 6.163 -8.327 -4.221 1.00 0.51 N ATOM 578 CA ASP A 37 7.288 -8.003 -5.158 1.00 0.57 C ATOM 579 C ASP A 37 7.027 -8.542 -6.563 1.00 0.58 C ATOM 580 O ASP A 37 6.948 -9.741 -6.773 1.00 0.89 O ATOM 581 CB ASP A 37 8.556 -8.652 -4.592 1.00 0.67 C ATOM 582 CG ASP A 37 9.634 -8.746 -5.665 1.00 1.00 C ATOM 583 OD1 ASP A 37 9.842 -7.751 -6.345 1.00 1.74 O ATOM 584 OD2 ASP A 37 10.277 -9.775 -5.718 1.00 2.20 O ATOM 0 H ASP A 37 6.032 -9.323 -4.044 1.00 0.51 H new ATOM 0 HA ASP A 37 7.390 -6.921 -5.239 1.00 0.57 H new ATOM 0 HB2 ASP A 37 8.925 -8.068 -3.748 1.00 0.67 H new ATOM 0 HB3 ASP A 37 8.324 -9.648 -4.214 1.00 0.67 H new ATOM 589 N ILE A 38 6.950 -7.656 -7.514 1.00 0.59 N ATOM 590 CA ILE A 38 6.699 -8.119 -8.911 1.00 0.66 C ATOM 591 C ILE A 38 7.794 -9.111 -9.373 1.00 0.79 C ATOM 592 O ILE A 38 7.566 -9.869 -10.293 1.00 1.05 O ATOM 593 CB ILE A 38 6.650 -6.909 -9.857 1.00 0.81 C ATOM 594 CG1 ILE A 38 8.026 -6.245 -9.880 1.00 0.99 C ATOM 595 CG2 ILE A 38 5.593 -5.896 -9.369 1.00 0.83 C ATOM 596 CD1 ILE A 38 8.079 -5.188 -10.990 1.00 1.22 C ATOM 0 H ILE A 38 7.048 -6.648 -7.392 1.00 0.59 H new ATOM 0 HA ILE A 38 5.741 -8.638 -8.936 1.00 0.66 H new ATOM 0 HB ILE A 38 6.379 -7.241 -10.859 1.00 0.81 H new ATOM 0 HG12 ILE A 38 8.232 -5.782 -8.915 1.00 0.99 H new ATOM 0 HG13 ILE A 38 8.799 -6.996 -10.044 1.00 0.99 H new ATOM 0 HG21 ILE A 38 5.567 -5.043 -10.047 1.00 0.83 H new ATOM 0 HG22 ILE A 38 4.613 -6.374 -9.349 1.00 0.83 H new ATOM 0 HG23 ILE A 38 5.851 -5.555 -8.366 1.00 0.83 H new ATOM 0 HD11 ILE A 38 9.063 -4.719 -11.000 1.00 1.22 H new ATOM 0 HD12 ILE A 38 7.894 -5.663 -11.954 1.00 1.22 H new ATOM 0 HD13 ILE A 38 7.318 -4.430 -10.807 1.00 1.22 H new ATOM 608 N ARG A 39 8.938 -9.097 -8.711 1.00 0.82 N ATOM 609 CA ARG A 39 10.064 -10.005 -9.094 1.00 1.05 C ATOM 610 C ARG A 39 9.935 -11.363 -8.398 1.00 0.98 C ATOM 611 O ARG A 39 10.666 -12.282 -8.707 1.00 1.44 O ATOM 612 CB ARG A 39 11.378 -9.298 -8.698 1.00 1.31 C ATOM 613 CG ARG A 39 12.604 -10.198 -8.868 1.00 2.05 C ATOM 614 CD ARG A 39 12.931 -10.951 -7.563 1.00 3.05 C ATOM 615 NE ARG A 39 13.567 -10.014 -6.573 1.00 3.57 N ATOM 616 CZ ARG A 39 14.822 -10.144 -6.230 1.00 4.48 C ATOM 617 NH1 ARG A 39 15.344 -11.342 -6.131 1.00 5.41 N ATOM 618 NH2 ARG A 39 15.501 -9.057 -5.989 1.00 5.36 N ATOM 0 H ARG A 39 9.134 -8.488 -7.917 1.00 0.82 H new ATOM 0 HA ARG A 39 10.048 -10.202 -10.166 1.00 1.05 H new ATOM 0 HB2 ARG A 39 11.502 -8.402 -9.307 1.00 1.31 H new ATOM 0 HB3 ARG A 39 11.312 -8.972 -7.660 1.00 1.31 H new ATOM 0 HG2 ARG A 39 12.423 -10.915 -9.669 1.00 2.05 H new ATOM 0 HG3 ARG A 39 13.462 -9.595 -9.167 1.00 2.05 H new ATOM 0 HD2 ARG A 39 12.020 -11.376 -7.141 1.00 3.05 H new ATOM 0 HD3 ARG A 39 13.603 -11.783 -7.772 1.00 3.05 H new ATOM 0 HE ARG A 39 13.010 -9.265 -6.162 1.00 3.57 H new ATOM 0 HH11 ARG A 39 14.772 -12.165 -6.321 1.00 5.41 H new ATOM 0 HH12 ARG A 39 16.322 -11.452 -5.864 1.00 5.41 H new ATOM 0 HH21 ARG A 39 15.050 -8.146 -6.071 1.00 5.36 H new ATOM 0 HH22 ARG A 39 16.483 -9.118 -5.719 1.00 5.36 H new ATOM 632 N ALA A 40 9.032 -11.462 -7.465 1.00 0.82 N ATOM 633 CA ALA A 40 8.823 -12.748 -6.741 1.00 0.91 C ATOM 634 C ALA A 40 7.617 -13.440 -7.368 1.00 1.00 C ATOM 635 O ALA A 40 7.597 -14.647 -7.550 1.00 1.17 O ATOM 636 CB ALA A 40 8.544 -12.458 -5.263 1.00 0.94 C ATOM 0 H ALA A 40 8.423 -10.699 -7.169 1.00 0.82 H new ATOM 0 HA ALA A 40 9.706 -13.383 -6.813 1.00 0.91 H new ATOM 0 HB1 ALA A 40 8.391 -13.397 -4.731 1.00 0.94 H new ATOM 0 HB2 ALA A 40 9.393 -11.929 -4.829 1.00 0.94 H new ATOM 0 HB3 ALA A 40 7.650 -11.841 -5.176 1.00 0.94 H new ATOM 642 N GLU A 41 6.639 -12.630 -7.689 1.00 0.96 N ATOM 643 CA GLU A 41 5.402 -13.176 -8.330 1.00 1.16 C ATOM 644 C GLU A 41 5.399 -12.845 -9.831 1.00 1.52 C ATOM 645 O GLU A 41 4.361 -12.769 -10.456 1.00 2.54 O ATOM 646 CB GLU A 41 4.187 -12.552 -7.640 1.00 1.00 C ATOM 647 CG GLU A 41 4.134 -13.049 -6.191 1.00 1.49 C ATOM 648 CD GLU A 41 3.093 -12.251 -5.419 1.00 1.50 C ATOM 649 OE1 GLU A 41 1.929 -12.424 -5.735 1.00 2.22 O ATOM 650 OE2 GLU A 41 3.533 -11.500 -4.571 1.00 2.37 O ATOM 0 H GLU A 41 6.642 -11.621 -7.537 1.00 0.96 H new ATOM 0 HA GLU A 41 5.368 -14.260 -8.223 1.00 1.16 H new ATOM 0 HB2 GLU A 41 4.256 -11.464 -7.664 1.00 1.00 H new ATOM 0 HB3 GLU A 41 3.272 -12.825 -8.166 1.00 1.00 H new ATOM 0 HG2 GLU A 41 3.885 -14.110 -6.168 1.00 1.49 H new ATOM 0 HG3 GLU A 41 5.112 -12.941 -5.722 1.00 1.49 H new ATOM 657 N GLY A 42 6.588 -12.720 -10.365 1.00 1.22 N ATOM 658 CA GLY A 42 6.801 -12.403 -11.823 1.00 1.57 C ATOM 659 C GLY A 42 5.645 -11.617 -12.455 1.00 1.47 C ATOM 660 O GLY A 42 5.015 -12.083 -13.389 1.00 1.64 O ATOM 0 H GLY A 42 7.454 -12.827 -9.836 1.00 1.22 H new ATOM 0 HA2 GLY A 42 7.721 -11.829 -11.931 1.00 1.57 H new ATOM 0 HA3 GLY A 42 6.940 -13.334 -12.372 1.00 1.57 H new ATOM 664 N ILE A 43 5.442 -10.414 -11.980 1.00 1.31 N ATOM 665 CA ILE A 43 4.324 -9.575 -12.536 1.00 1.34 C ATOM 666 C ILE A 43 4.904 -8.388 -13.316 1.00 1.63 C ATOM 667 O ILE A 43 5.970 -7.903 -12.981 1.00 1.82 O ATOM 668 CB ILE A 43 3.456 -9.024 -11.380 1.00 1.20 C ATOM 669 CG1 ILE A 43 3.207 -10.140 -10.347 1.00 1.18 C ATOM 670 CG2 ILE A 43 2.110 -8.529 -11.951 1.00 1.39 C ATOM 671 CD1 ILE A 43 2.373 -9.626 -9.161 1.00 1.37 C ATOM 0 H ILE A 43 5.992 -9.976 -11.241 1.00 1.31 H new ATOM 0 HA ILE A 43 3.717 -10.195 -13.195 1.00 1.34 H new ATOM 0 HB ILE A 43 3.971 -8.196 -10.893 1.00 1.20 H new ATOM 0 HG12 ILE A 43 2.690 -10.972 -10.825 1.00 1.18 H new ATOM 0 HG13 ILE A 43 4.161 -10.523 -9.985 1.00 1.18 H new ATOM 0 HG21 ILE A 43 1.493 -8.139 -11.142 1.00 1.39 H new ATOM 0 HG22 ILE A 43 2.292 -7.740 -12.681 1.00 1.39 H new ATOM 0 HG23 ILE A 43 1.593 -9.358 -12.435 1.00 1.39 H new ATOM 0 HD11 ILE A 43 2.214 -10.436 -8.450 1.00 1.37 H new ATOM 0 HD12 ILE A 43 2.903 -8.810 -8.670 1.00 1.37 H new ATOM 0 HD13 ILE A 43 1.410 -9.267 -9.522 1.00 1.37 H new ATOM 683 N THR A 44 4.217 -7.957 -14.341 1.00 1.75 N ATOM 684 CA THR A 44 4.713 -6.785 -15.123 1.00 2.14 C ATOM 685 C THR A 44 3.569 -5.776 -15.302 1.00 2.15 C ATOM 686 O THR A 44 2.446 -6.024 -14.891 1.00 2.65 O ATOM 687 CB THR A 44 5.256 -7.264 -16.478 1.00 2.33 C ATOM 688 OG1 THR A 44 4.237 -8.058 -17.059 1.00 2.04 O ATOM 689 CG2 THR A 44 6.435 -8.221 -16.282 1.00 2.78 C ATOM 0 H THR A 44 3.340 -8.362 -14.669 1.00 1.75 H new ATOM 0 HA THR A 44 5.525 -6.292 -14.590 1.00 2.14 H new ATOM 0 HB THR A 44 5.555 -6.400 -17.071 1.00 2.33 H new ATOM 0 HG1 THR A 44 4.199 -7.887 -18.023 1.00 2.04 H new ATOM 0 HG21 THR A 44 6.804 -8.548 -17.254 1.00 2.78 H new ATOM 0 HG22 THR A 44 7.233 -7.710 -15.744 1.00 2.78 H new ATOM 0 HG23 THR A 44 6.108 -9.088 -15.708 1.00 2.78 H new ATOM 697 N LYS A 45 3.881 -4.630 -15.853 1.00 2.30 N ATOM 698 CA LYS A 45 2.821 -3.597 -16.065 1.00 2.36 C ATOM 699 C LYS A 45 1.612 -4.219 -16.774 1.00 2.18 C ATOM 700 O LYS A 45 0.494 -4.051 -16.338 1.00 2.54 O ATOM 701 CB LYS A 45 3.409 -2.446 -16.908 1.00 2.81 C ATOM 702 CG LYS A 45 2.310 -1.561 -17.543 1.00 3.83 C ATOM 703 CD LYS A 45 1.760 -0.501 -16.560 1.00 5.06 C ATOM 704 CE LYS A 45 1.065 -1.130 -15.337 1.00 6.16 C ATOM 705 NZ LYS A 45 -0.007 -0.230 -14.813 1.00 6.96 N ATOM 0 H LYS A 45 4.816 -4.366 -16.163 1.00 2.30 H new ATOM 0 HA LYS A 45 2.486 -3.208 -15.103 1.00 2.36 H new ATOM 0 HB2 LYS A 45 4.050 -1.829 -16.279 1.00 2.81 H new ATOM 0 HB3 LYS A 45 4.038 -2.860 -17.695 1.00 2.81 H new ATOM 0 HG2 LYS A 45 2.715 -1.060 -18.423 1.00 3.83 H new ATOM 0 HG3 LYS A 45 1.491 -2.194 -17.885 1.00 3.83 H new ATOM 0 HD2 LYS A 45 2.579 0.134 -16.221 1.00 5.06 H new ATOM 0 HD3 LYS A 45 1.053 0.142 -17.084 1.00 5.06 H new ATOM 0 HE2 LYS A 45 0.635 -2.093 -15.613 1.00 6.16 H new ATOM 0 HE3 LYS A 45 1.799 -1.322 -14.555 1.00 6.16 H new ATOM 0 HZ1 LYS A 45 0.121 -0.097 -13.790 1.00 6.96 H new ATOM 0 HZ2 LYS A 45 0.049 0.692 -15.292 1.00 6.96 H new ATOM 0 HZ3 LYS A 45 -0.938 -0.658 -14.992 1.00 6.96 H new ATOM 719 N GLU A 46 1.883 -4.900 -17.863 1.00 2.00 N ATOM 720 CA GLU A 46 0.812 -5.565 -18.674 1.00 2.00 C ATOM 721 C GLU A 46 -0.349 -6.104 -17.815 1.00 1.86 C ATOM 722 O GLU A 46 -1.456 -5.581 -17.861 1.00 1.96 O ATOM 723 CB GLU A 46 1.469 -6.724 -19.448 1.00 2.19 C ATOM 724 CG GLU A 46 2.485 -6.168 -20.468 1.00 2.34 C ATOM 725 CD GLU A 46 3.579 -7.207 -20.745 1.00 2.59 C ATOM 726 OE1 GLU A 46 4.245 -7.543 -19.782 1.00 3.11 O ATOM 727 OE2 GLU A 46 3.698 -7.597 -21.895 1.00 3.47 O ATOM 0 H GLU A 46 2.825 -5.025 -18.232 1.00 2.00 H new ATOM 0 HA GLU A 46 0.376 -4.824 -19.344 1.00 2.00 H new ATOM 0 HB2 GLU A 46 1.970 -7.398 -18.753 1.00 2.19 H new ATOM 0 HB3 GLU A 46 0.706 -7.307 -19.963 1.00 2.19 H new ATOM 0 HG2 GLU A 46 1.975 -5.909 -21.396 1.00 2.34 H new ATOM 0 HG3 GLU A 46 2.933 -5.251 -20.084 1.00 2.34 H new ATOM 734 N ASP A 47 -0.083 -7.127 -17.045 1.00 1.73 N ATOM 735 CA ASP A 47 -1.165 -7.725 -16.190 1.00 1.73 C ATOM 736 C ASP A 47 -1.814 -6.702 -15.248 1.00 1.67 C ATOM 737 O ASP A 47 -3.031 -6.694 -15.083 1.00 1.77 O ATOM 738 CB ASP A 47 -0.573 -8.844 -15.336 1.00 1.68 C ATOM 739 CG ASP A 47 -1.665 -9.446 -14.446 1.00 2.44 C ATOM 740 OD1 ASP A 47 -2.449 -10.235 -14.964 1.00 3.31 O ATOM 741 OD2 ASP A 47 -1.707 -9.022 -13.304 1.00 2.99 O ATOM 0 H ASP A 47 0.830 -7.576 -16.968 1.00 1.73 H new ATOM 0 HA ASP A 47 -1.933 -8.097 -16.868 1.00 1.73 H new ATOM 0 HB2 ASP A 47 -0.145 -9.616 -15.976 1.00 1.68 H new ATOM 0 HB3 ASP A 47 0.238 -8.455 -14.720 1.00 1.68 H new ATOM 746 N LEU A 48 -0.997 -5.926 -14.590 1.00 1.59 N ATOM 747 CA LEU A 48 -1.572 -4.924 -13.651 1.00 1.67 C ATOM 748 C LEU A 48 -2.524 -3.984 -14.385 1.00 1.74 C ATOM 749 O LEU A 48 -3.663 -3.864 -13.980 1.00 1.97 O ATOM 750 CB LEU A 48 -0.443 -4.133 -12.983 1.00 1.75 C ATOM 751 CG LEU A 48 0.431 -5.088 -12.155 1.00 1.59 C ATOM 752 CD1 LEU A 48 1.608 -4.305 -11.572 1.00 1.87 C ATOM 753 CD2 LEU A 48 -0.390 -5.704 -11.007 1.00 1.89 C ATOM 0 H LEU A 48 0.021 -5.940 -14.659 1.00 1.59 H new ATOM 0 HA LEU A 48 -2.140 -5.447 -12.882 1.00 1.67 H new ATOM 0 HB2 LEU A 48 0.162 -3.633 -13.739 1.00 1.75 H new ATOM 0 HB3 LEU A 48 -0.859 -3.356 -12.342 1.00 1.75 H new ATOM 0 HG LEU A 48 0.794 -5.890 -12.798 1.00 1.59 H new ATOM 0 HD11 LEU A 48 2.234 -4.975 -10.982 1.00 1.87 H new ATOM 0 HD12 LEU A 48 2.197 -3.877 -12.383 1.00 1.87 H new ATOM 0 HD13 LEU A 48 1.232 -3.505 -10.935 1.00 1.87 H new ATOM 0 HD21 LEU A 48 0.242 -6.378 -10.429 1.00 1.89 H new ATOM 0 HD22 LEU A 48 -0.762 -4.910 -10.359 1.00 1.89 H new ATOM 0 HD23 LEU A 48 -1.232 -6.260 -11.419 1.00 1.89 H new ATOM 765 N GLN A 49 -2.063 -3.372 -15.459 1.00 1.71 N ATOM 766 CA GLN A 49 -2.971 -2.438 -16.219 1.00 1.85 C ATOM 767 C GLN A 49 -4.352 -3.076 -16.332 1.00 1.86 C ATOM 768 O GLN A 49 -5.352 -2.474 -15.962 1.00 1.91 O ATOM 769 CB GLN A 49 -2.462 -2.183 -17.647 1.00 2.08 C ATOM 770 CG GLN A 49 -1.165 -1.376 -17.630 1.00 2.19 C ATOM 771 CD GLN A 49 -0.807 -0.964 -19.063 1.00 2.96 C ATOM 772 OE1 GLN A 49 0.124 -1.468 -19.659 1.00 3.70 O ATOM 773 NE2 GLN A 49 -1.528 -0.069 -19.665 1.00 3.75 N ATOM 0 H GLN A 49 -1.121 -3.474 -15.836 1.00 1.71 H new ATOM 0 HA GLN A 49 -3.001 -1.492 -15.678 1.00 1.85 H new ATOM 0 HB2 GLN A 49 -2.296 -3.134 -18.153 1.00 2.08 H new ATOM 0 HB3 GLN A 49 -3.221 -1.647 -18.217 1.00 2.08 H new ATOM 0 HG2 GLN A 49 -1.281 -0.492 -17.003 1.00 2.19 H new ATOM 0 HG3 GLN A 49 -0.359 -1.969 -17.198 1.00 2.19 H new ATOM 0 HE21 GLN A 49 -2.313 0.364 -19.179 1.00 3.75 H new ATOM 0 HE22 GLN A 49 -1.309 0.201 -20.624 1.00 3.75 H new ATOM 782 N GLN A 50 -4.346 -4.294 -16.829 1.00 1.91 N ATOM 783 CA GLN A 50 -5.619 -5.058 -17.001 1.00 2.05 C ATOM 784 C GLN A 50 -6.386 -5.155 -15.667 1.00 1.97 C ATOM 785 O GLN A 50 -7.577 -4.919 -15.620 1.00 2.11 O ATOM 786 CB GLN A 50 -5.283 -6.469 -17.526 1.00 2.22 C ATOM 787 CG GLN A 50 -4.531 -6.360 -18.867 1.00 3.33 C ATOM 788 CD GLN A 50 -4.163 -7.758 -19.387 1.00 4.26 C ATOM 789 OE1 GLN A 50 -5.013 -8.531 -19.781 1.00 4.73 O ATOM 790 NE2 GLN A 50 -2.915 -8.122 -19.412 1.00 5.26 N ATOM 0 H GLN A 50 -3.506 -4.791 -17.124 1.00 1.91 H new ATOM 0 HA GLN A 50 -6.257 -4.538 -17.715 1.00 2.05 H new ATOM 0 HB2 GLN A 50 -4.672 -7.002 -16.798 1.00 2.22 H new ATOM 0 HB3 GLN A 50 -6.198 -7.046 -17.657 1.00 2.22 H new ATOM 0 HG2 GLN A 50 -5.152 -5.844 -19.599 1.00 3.33 H new ATOM 0 HG3 GLN A 50 -3.628 -5.763 -18.738 1.00 3.33 H new ATOM 0 HE21 GLN A 50 -2.191 -7.483 -19.084 1.00 5.26 H new ATOM 0 HE22 GLN A 50 -2.660 -9.047 -19.759 1.00 5.26 H new ATOM 799 N LYS A 51 -5.690 -5.459 -14.602 1.00 1.83 N ATOM 800 CA LYS A 51 -6.382 -5.580 -13.270 1.00 1.95 C ATOM 801 C LYS A 51 -6.412 -4.247 -12.521 1.00 1.58 C ATOM 802 O LYS A 51 -6.784 -4.206 -11.364 1.00 1.40 O ATOM 803 CB LYS A 51 -5.614 -6.557 -12.383 1.00 2.24 C ATOM 804 CG LYS A 51 -6.434 -7.843 -12.198 1.00 3.11 C ATOM 805 CD LYS A 51 -5.559 -8.931 -11.550 1.00 3.09 C ATOM 806 CE LYS A 51 -4.222 -9.021 -12.285 1.00 3.45 C ATOM 807 NZ LYS A 51 -4.447 -8.883 -13.756 1.00 4.44 N ATOM 0 H LYS A 51 -4.684 -5.628 -14.589 1.00 1.83 H new ATOM 0 HA LYS A 51 -7.399 -5.917 -13.471 1.00 1.95 H new ATOM 0 HB2 LYS A 51 -4.649 -6.791 -12.833 1.00 2.24 H new ATOM 0 HB3 LYS A 51 -5.411 -6.101 -11.414 1.00 2.24 H new ATOM 0 HG2 LYS A 51 -7.304 -7.643 -11.573 1.00 3.11 H new ATOM 0 HG3 LYS A 51 -6.807 -8.189 -13.162 1.00 3.11 H new ATOM 0 HD2 LYS A 51 -5.392 -8.699 -10.498 1.00 3.09 H new ATOM 0 HD3 LYS A 51 -6.071 -9.893 -11.587 1.00 3.09 H new ATOM 0 HE2 LYS A 51 -3.550 -8.238 -11.935 1.00 3.45 H new ATOM 0 HE3 LYS A 51 -3.740 -9.975 -12.069 1.00 3.45 H new ATOM 0 HZ1 LYS A 51 -4.005 -9.683 -14.251 1.00 4.44 H new ATOM 0 HZ2 LYS A 51 -5.468 -8.876 -13.952 1.00 4.44 H new ATOM 0 HZ3 LYS A 51 -4.025 -7.993 -14.090 1.00 4.44 H new ATOM 821 N ALA A 52 -6.063 -3.197 -13.198 1.00 1.75 N ATOM 822 CA ALA A 52 -6.003 -1.859 -12.546 1.00 1.53 C ATOM 823 C ALA A 52 -7.207 -0.975 -12.891 1.00 1.69 C ATOM 824 O ALA A 52 -7.991 -0.614 -12.021 1.00 1.86 O ATOM 825 CB ALA A 52 -4.702 -1.215 -13.037 1.00 1.70 C ATOM 0 H ALA A 52 -5.813 -3.204 -14.187 1.00 1.75 H new ATOM 0 HA ALA A 52 -6.029 -1.968 -11.462 1.00 1.53 H new ATOM 0 HB1 ALA A 52 -4.596 -0.225 -12.593 1.00 1.70 H new ATOM 0 HB2 ALA A 52 -3.855 -1.836 -12.744 1.00 1.70 H new ATOM 0 HB3 ALA A 52 -4.728 -1.125 -14.123 1.00 1.70 H new ATOM 831 N GLY A 53 -7.298 -0.608 -14.140 1.00 2.00 N ATOM 832 CA GLY A 53 -8.439 0.260 -14.584 1.00 2.41 C ATOM 833 C GLY A 53 -8.079 1.756 -14.601 1.00 2.80 C ATOM 834 O GLY A 53 -8.966 2.588 -14.630 1.00 3.52 O ATOM 0 H GLY A 53 -6.638 -0.867 -14.873 1.00 2.00 H new ATOM 0 HA2 GLY A 53 -8.754 -0.044 -15.582 1.00 2.41 H new ATOM 0 HA3 GLY A 53 -9.289 0.103 -13.920 1.00 2.41 H new ATOM 838 N LYS A 54 -6.805 2.078 -14.603 1.00 2.60 N ATOM 839 CA LYS A 54 -6.391 3.522 -14.626 1.00 3.05 C ATOM 840 C LYS A 54 -5.508 3.816 -15.845 1.00 3.15 C ATOM 841 O LYS A 54 -4.739 4.758 -15.836 1.00 4.05 O ATOM 842 CB LYS A 54 -5.586 3.849 -13.354 1.00 3.35 C ATOM 843 CG LYS A 54 -6.526 4.071 -12.157 1.00 4.18 C ATOM 844 CD LYS A 54 -5.712 4.303 -10.862 1.00 4.87 C ATOM 845 CE LYS A 54 -4.696 5.447 -11.051 1.00 4.92 C ATOM 846 NZ LYS A 54 -3.964 5.723 -9.782 1.00 5.80 N ATOM 0 H LYS A 54 -6.036 1.408 -14.590 1.00 2.60 H new ATOM 0 HA LYS A 54 -7.293 4.133 -14.677 1.00 3.05 H new ATOM 0 HB2 LYS A 54 -4.896 3.034 -13.135 1.00 3.35 H new ATOM 0 HB3 LYS A 54 -4.982 4.742 -13.519 1.00 3.35 H new ATOM 0 HG2 LYS A 54 -7.170 4.930 -12.347 1.00 4.18 H new ATOM 0 HG3 LYS A 54 -7.177 3.206 -12.034 1.00 4.18 H new ATOM 0 HD2 LYS A 54 -6.387 4.543 -10.041 1.00 4.87 H new ATOM 0 HD3 LYS A 54 -5.188 3.387 -10.587 1.00 4.87 H new ATOM 0 HE2 LYS A 54 -3.986 5.183 -11.835 1.00 4.92 H new ATOM 0 HE3 LYS A 54 -5.214 6.348 -11.380 1.00 4.92 H new ATOM 0 HZ1 LYS A 54 -4.022 6.738 -9.561 1.00 5.80 H new ATOM 0 HZ2 LYS A 54 -4.392 5.175 -9.008 1.00 5.80 H new ATOM 0 HZ3 LYS A 54 -2.967 5.449 -9.890 1.00 5.80 H new ATOM 860 N PRO A 55 -5.666 3.016 -16.864 1.00 3.21 N ATOM 861 CA PRO A 55 -4.678 1.971 -17.224 1.00 3.53 C ATOM 862 C PRO A 55 -3.400 2.535 -17.885 1.00 3.11 C ATOM 863 O PRO A 55 -2.946 2.022 -18.889 1.00 3.77 O ATOM 864 CB PRO A 55 -5.467 1.055 -18.179 1.00 5.04 C ATOM 865 CG PRO A 55 -6.631 1.912 -18.737 1.00 5.13 C ATOM 866 CD PRO A 55 -6.882 3.027 -17.708 1.00 4.10 C ATOM 0 HA PRO A 55 -4.294 1.452 -16.346 1.00 3.53 H new ATOM 0 HB2 PRO A 55 -4.830 0.692 -18.985 1.00 5.04 H new ATOM 0 HB3 PRO A 55 -5.846 0.179 -17.653 1.00 5.04 H new ATOM 0 HG2 PRO A 55 -6.373 2.332 -19.709 1.00 5.13 H new ATOM 0 HG3 PRO A 55 -7.526 1.306 -18.879 1.00 5.13 H new ATOM 0 HD2 PRO A 55 -7.023 3.993 -18.193 1.00 4.10 H new ATOM 0 HD3 PRO A 55 -7.778 2.832 -17.119 1.00 4.10 H new ATOM 874 N VAL A 56 -2.853 3.576 -17.310 1.00 3.05 N ATOM 875 CA VAL A 56 -1.597 4.168 -17.858 1.00 3.24 C ATOM 876 C VAL A 56 -0.610 4.356 -16.689 1.00 3.01 C ATOM 877 O VAL A 56 0.376 5.069 -16.776 1.00 3.67 O ATOM 878 CB VAL A 56 -1.946 5.500 -18.548 1.00 4.53 C ATOM 879 CG1 VAL A 56 -2.301 6.570 -17.501 1.00 5.43 C ATOM 880 CG2 VAL A 56 -0.758 5.966 -19.402 1.00 5.01 C ATOM 0 H VAL A 56 -3.224 4.042 -16.482 1.00 3.05 H new ATOM 0 HA VAL A 56 -1.129 3.522 -18.600 1.00 3.24 H new ATOM 0 HB VAL A 56 -2.812 5.349 -19.192 1.00 4.53 H new ATOM 0 HG11 VAL A 56 -2.545 7.505 -18.005 1.00 5.43 H new ATOM 0 HG12 VAL A 56 -3.159 6.237 -16.917 1.00 5.43 H new ATOM 0 HG13 VAL A 56 -1.450 6.727 -16.838 1.00 5.43 H new ATOM 0 HG21 VAL A 56 -1.008 6.909 -19.889 1.00 5.01 H new ATOM 0 HG22 VAL A 56 0.115 6.107 -18.765 1.00 5.01 H new ATOM 0 HG23 VAL A 56 -0.537 5.214 -20.159 1.00 5.01 H new ATOM 890 N GLU A 57 -0.924 3.689 -15.613 1.00 3.17 N ATOM 891 CA GLU A 57 -0.080 3.745 -14.388 1.00 3.63 C ATOM 892 C GLU A 57 1.064 2.739 -14.509 1.00 2.97 C ATOM 893 O GLU A 57 1.098 1.968 -15.442 1.00 3.43 O ATOM 894 CB GLU A 57 -0.927 3.407 -13.133 1.00 5.12 C ATOM 895 CG GLU A 57 -2.269 2.707 -13.466 1.00 5.88 C ATOM 896 CD GLU A 57 -2.070 1.340 -14.145 1.00 5.85 C ATOM 897 OE1 GLU A 57 -1.961 1.323 -15.361 1.00 5.91 O ATOM 898 OE2 GLU A 57 -2.031 0.369 -13.420 1.00 6.55 O ATOM 0 H GLU A 57 -1.749 3.095 -15.531 1.00 3.17 H new ATOM 0 HA GLU A 57 0.322 4.753 -14.285 1.00 3.63 H new ATOM 0 HB2 GLU A 57 -0.344 2.764 -12.473 1.00 5.12 H new ATOM 0 HB3 GLU A 57 -1.132 4.326 -12.584 1.00 5.12 H new ATOM 0 HG2 GLU A 57 -2.842 2.573 -12.549 1.00 5.88 H new ATOM 0 HG3 GLU A 57 -2.858 3.351 -14.119 1.00 5.88 H new ATOM 905 N THR A 58 1.959 2.763 -13.563 1.00 2.62 N ATOM 906 CA THR A 58 3.116 1.824 -13.611 1.00 2.83 C ATOM 907 C THR A 58 3.551 1.480 -12.178 1.00 2.24 C ATOM 908 O THR A 58 2.788 1.656 -11.252 1.00 2.23 O ATOM 909 CB THR A 58 4.245 2.506 -14.408 1.00 3.65 C ATOM 910 OG1 THR A 58 5.264 1.519 -14.539 1.00 4.66 O ATOM 911 CG2 THR A 58 4.902 3.663 -13.637 1.00 4.10 C ATOM 0 H THR A 58 1.941 3.391 -12.759 1.00 2.62 H new ATOM 0 HA THR A 58 2.852 0.889 -14.104 1.00 2.83 H new ATOM 0 HB THR A 58 3.833 2.891 -15.340 1.00 3.65 H new ATOM 0 HG1 THR A 58 6.123 1.896 -14.254 1.00 4.66 H new ATOM 0 HG21 THR A 58 5.690 4.106 -14.247 1.00 4.10 H new ATOM 0 HG22 THR A 58 4.152 4.420 -13.408 1.00 4.10 H new ATOM 0 HG23 THR A 58 5.331 3.285 -12.709 1.00 4.10 H new ATOM 919 N VAL A 59 4.777 1.075 -12.017 1.00 2.27 N ATOM 920 CA VAL A 59 5.262 0.719 -10.653 1.00 1.80 C ATOM 921 C VAL A 59 5.669 2.020 -9.937 1.00 1.68 C ATOM 922 O VAL A 59 6.402 2.824 -10.484 1.00 2.18 O ATOM 923 CB VAL A 59 6.496 -0.201 -10.779 1.00 2.08 C ATOM 924 CG1 VAL A 59 6.934 -0.691 -9.394 1.00 2.58 C ATOM 925 CG2 VAL A 59 6.171 -1.421 -11.651 1.00 2.79 C ATOM 0 H VAL A 59 5.463 0.975 -12.765 1.00 2.27 H new ATOM 0 HA VAL A 59 4.483 0.204 -10.092 1.00 1.80 H new ATOM 0 HB VAL A 59 7.299 0.374 -11.240 1.00 2.08 H new ATOM 0 HG11 VAL A 59 7.805 -1.339 -9.496 1.00 2.58 H new ATOM 0 HG12 VAL A 59 7.189 0.165 -8.769 1.00 2.58 H new ATOM 0 HG13 VAL A 59 6.120 -1.248 -8.931 1.00 2.58 H new ATOM 0 HG21 VAL A 59 7.052 -2.058 -11.729 1.00 2.79 H new ATOM 0 HG22 VAL A 59 5.355 -1.984 -11.199 1.00 2.79 H new ATOM 0 HG23 VAL A 59 5.875 -1.089 -12.646 1.00 2.79 H new ATOM 935 N PRO A 60 5.196 2.201 -8.710 1.00 1.42 N ATOM 936 CA PRO A 60 4.537 1.165 -7.882 1.00 1.18 C ATOM 937 C PRO A 60 3.010 1.286 -7.935 1.00 0.96 C ATOM 938 O PRO A 60 2.459 2.373 -8.063 1.00 1.11 O ATOM 939 CB PRO A 60 5.042 1.496 -6.481 1.00 1.54 C ATOM 940 CG PRO A 60 5.240 3.036 -6.477 1.00 1.95 C ATOM 941 CD PRO A 60 5.394 3.460 -7.958 1.00 1.86 C ATOM 0 HA PRO A 60 4.761 0.151 -8.213 1.00 1.18 H new ATOM 0 HB2 PRO A 60 4.324 1.189 -5.720 1.00 1.54 H new ATOM 0 HB3 PRO A 60 5.976 0.978 -6.266 1.00 1.54 H new ATOM 0 HG2 PRO A 60 4.388 3.536 -6.016 1.00 1.95 H new ATOM 0 HG3 PRO A 60 6.122 3.313 -5.900 1.00 1.95 H new ATOM 0 HD2 PRO A 60 4.656 4.212 -8.237 1.00 1.86 H new ATOM 0 HD3 PRO A 60 6.377 3.890 -8.150 1.00 1.86 H new ATOM 949 N GLN A 61 2.356 0.169 -7.754 1.00 0.73 N ATOM 950 CA GLN A 61 0.869 0.169 -7.778 1.00 0.59 C ATOM 951 C GLN A 61 0.349 -0.393 -6.455 1.00 0.50 C ATOM 952 O GLN A 61 0.899 -1.353 -5.935 1.00 0.53 O ATOM 953 CB GLN A 61 0.373 -0.696 -8.943 1.00 0.69 C ATOM 954 CG GLN A 61 0.981 -0.169 -10.254 1.00 0.96 C ATOM 955 CD GLN A 61 0.235 -0.749 -11.459 1.00 1.88 C ATOM 956 OE1 GLN A 61 0.799 -1.029 -12.505 1.00 2.83 O ATOM 957 NE2 GLN A 61 -1.043 -0.909 -11.382 1.00 2.94 N ATOM 0 H GLN A 61 2.789 -0.740 -7.591 1.00 0.73 H new ATOM 0 HA GLN A 61 0.502 1.187 -7.911 1.00 0.59 H new ATOM 0 HB2 GLN A 61 0.659 -1.736 -8.787 1.00 0.69 H new ATOM 0 HB3 GLN A 61 -0.715 -0.669 -8.995 1.00 0.69 H new ATOM 0 HG2 GLN A 61 0.928 0.920 -10.275 1.00 0.96 H new ATOM 0 HG3 GLN A 61 2.036 -0.438 -10.307 1.00 0.96 H new ATOM 0 HE21 GLN A 61 -1.534 -0.681 -10.518 1.00 2.94 H new ATOM 0 HE22 GLN A 61 -1.562 -1.263 -12.186 1.00 2.94 H new ATOM 966 N ILE A 62 -0.687 0.214 -5.944 1.00 0.53 N ATOM 967 CA ILE A 62 -1.258 -0.262 -4.658 1.00 0.56 C ATOM 968 C ILE A 62 -2.680 -0.705 -4.923 1.00 0.56 C ATOM 969 O ILE A 62 -3.344 -0.186 -5.803 1.00 0.63 O ATOM 970 CB ILE A 62 -1.276 0.868 -3.604 1.00 0.70 C ATOM 971 CG1 ILE A 62 0.132 1.435 -3.382 1.00 0.86 C ATOM 972 CG2 ILE A 62 -1.808 0.332 -2.267 1.00 0.82 C ATOM 973 CD1 ILE A 62 0.441 2.445 -4.483 1.00 1.45 C ATOM 0 H ILE A 62 -1.159 1.016 -6.361 1.00 0.53 H new ATOM 0 HA ILE A 62 -0.648 -1.078 -4.272 1.00 0.56 H new ATOM 0 HB ILE A 62 -1.926 1.660 -3.976 1.00 0.70 H new ATOM 0 HG12 ILE A 62 0.195 1.913 -2.404 1.00 0.86 H new ATOM 0 HG13 ILE A 62 0.868 0.631 -3.392 1.00 0.86 H new ATOM 0 HG21 ILE A 62 -1.817 1.136 -1.531 1.00 0.82 H new ATOM 0 HG22 ILE A 62 -2.821 -0.046 -2.404 1.00 0.82 H new ATOM 0 HG23 ILE A 62 -1.164 -0.474 -1.916 1.00 0.82 H new ATOM 0 HD11 ILE A 62 1.441 2.853 -4.332 1.00 1.45 H new ATOM 0 HD12 ILE A 62 0.393 1.951 -5.454 1.00 1.45 H new ATOM 0 HD13 ILE A 62 -0.289 3.253 -4.451 1.00 1.45 H new ATOM 985 N PHE A 63 -3.077 -1.652 -4.152 1.00 0.57 N ATOM 986 CA PHE A 63 -4.449 -2.222 -4.242 1.00 0.63 C ATOM 987 C PHE A 63 -4.980 -2.321 -2.809 1.00 0.67 C ATOM 988 O PHE A 63 -4.365 -2.981 -1.988 1.00 0.82 O ATOM 989 CB PHE A 63 -4.374 -3.617 -4.890 1.00 0.71 C ATOM 990 CG PHE A 63 -4.213 -3.497 -6.421 1.00 0.73 C ATOM 991 CD1 PHE A 63 -3.046 -3.007 -6.988 1.00 0.86 C ATOM 992 CD2 PHE A 63 -5.253 -3.862 -7.258 1.00 0.87 C ATOM 993 CE1 PHE A 63 -2.930 -2.876 -8.361 1.00 1.01 C ATOM 994 CE2 PHE A 63 -5.133 -3.739 -8.630 1.00 0.96 C ATOM 995 CZ PHE A 63 -3.975 -3.241 -9.181 1.00 0.98 C ATOM 0 H PHE A 63 -2.494 -2.078 -3.432 1.00 0.57 H new ATOM 0 HA PHE A 63 -5.108 -1.602 -4.850 1.00 0.63 H new ATOM 0 HB2 PHE A 63 -3.534 -4.173 -4.473 1.00 0.71 H new ATOM 0 HB3 PHE A 63 -5.277 -4.181 -4.657 1.00 0.71 H new ATOM 0 HD1 PHE A 63 -2.220 -2.725 -6.352 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -6.169 -4.247 -6.835 1.00 0.87 H new ATOM 0 HE1 PHE A 63 -2.019 -2.487 -8.790 1.00 1.01 H new ATOM 0 HE2 PHE A 63 -5.951 -4.035 -9.271 1.00 0.96 H new ATOM 0 HZ PHE A 63 -3.886 -3.137 -10.252 1.00 0.98 H new ATOM 1005 N VAL A 64 -6.029 -1.605 -2.491 1.00 0.56 N ATOM 1006 CA VAL A 64 -6.552 -1.702 -1.084 1.00 0.63 C ATOM 1007 C VAL A 64 -7.562 -2.850 -0.976 1.00 0.76 C ATOM 1008 O VAL A 64 -8.635 -2.762 -1.521 1.00 1.04 O ATOM 1009 CB VAL A 64 -7.212 -0.362 -0.712 1.00 0.80 C ATOM 1010 CG1 VAL A 64 -7.817 -0.435 0.694 1.00 0.82 C ATOM 1011 CG2 VAL A 64 -6.140 0.724 -0.686 1.00 0.93 C ATOM 0 H VAL A 64 -6.535 -0.977 -3.116 1.00 0.56 H new ATOM 0 HA VAL A 64 -5.733 -1.908 -0.394 1.00 0.63 H new ATOM 0 HB VAL A 64 -7.990 -0.144 -1.444 1.00 0.80 H new ATOM 0 HG11 VAL A 64 -8.279 0.521 0.941 1.00 0.82 H new ATOM 0 HG12 VAL A 64 -8.571 -1.222 0.725 1.00 0.82 H new ATOM 0 HG13 VAL A 64 -7.032 -0.656 1.417 1.00 0.82 H new ATOM 0 HG21 VAL A 64 -6.596 1.679 -0.423 1.00 0.93 H new ATOM 0 HG22 VAL A 64 -5.381 0.469 0.054 1.00 0.93 H new ATOM 0 HG23 VAL A 64 -5.677 0.801 -1.670 1.00 0.93 H new ATOM 1021 N ASP A 65 -7.168 -3.911 -0.304 1.00 1.03 N ATOM 1022 CA ASP A 65 -8.053 -5.105 -0.114 1.00 1.31 C ATOM 1023 C ASP A 65 -8.586 -5.650 -1.453 1.00 1.29 C ATOM 1024 O ASP A 65 -8.068 -6.635 -1.956 1.00 1.91 O ATOM 1025 CB ASP A 65 -9.186 -4.716 0.850 1.00 1.55 C ATOM 1026 CG ASP A 65 -8.619 -4.631 2.280 1.00 2.01 C ATOM 1027 OD1 ASP A 65 -8.623 -5.657 2.947 1.00 2.66 O ATOM 1028 OD2 ASP A 65 -8.183 -3.552 2.629 1.00 3.04 O ATOM 0 H ASP A 65 -6.249 -3.998 0.129 1.00 1.03 H new ATOM 0 HA ASP A 65 -7.476 -5.922 0.319 1.00 1.31 H new ATOM 0 HB2 ASP A 65 -9.617 -3.758 0.558 1.00 1.55 H new ATOM 0 HB3 ASP A 65 -9.988 -5.453 0.806 1.00 1.55 H new ATOM 1033 N GLN A 66 -9.596 -5.029 -2.004 1.00 1.23 N ATOM 1034 CA GLN A 66 -10.131 -5.528 -3.314 1.00 1.42 C ATOM 1035 C GLN A 66 -10.231 -4.396 -4.356 1.00 1.19 C ATOM 1036 O GLN A 66 -10.663 -4.623 -5.468 1.00 1.63 O ATOM 1037 CB GLN A 66 -11.503 -6.222 -3.116 1.00 1.86 C ATOM 1038 CG GLN A 66 -12.643 -5.206 -2.925 1.00 3.16 C ATOM 1039 CD GLN A 66 -14.011 -5.913 -2.922 1.00 3.99 C ATOM 1040 OE1 GLN A 66 -15.043 -5.279 -3.001 1.00 4.83 O ATOM 1041 NE2 GLN A 66 -14.073 -7.210 -2.843 1.00 4.48 N ATOM 0 H GLN A 66 -10.069 -4.213 -1.616 1.00 1.23 H new ATOM 0 HA GLN A 66 -9.426 -6.264 -3.700 1.00 1.42 H new ATOM 0 HB2 GLN A 66 -11.719 -6.850 -3.980 1.00 1.86 H new ATOM 0 HB3 GLN A 66 -11.454 -6.879 -2.248 1.00 1.86 H new ATOM 0 HG2 GLN A 66 -12.504 -4.669 -1.987 1.00 3.16 H new ATOM 0 HG3 GLN A 66 -12.613 -4.465 -3.724 1.00 3.16 H new ATOM 0 HE21 GLN A 66 -13.216 -7.758 -2.776 1.00 4.48 H new ATOM 0 HE22 GLN A 66 -14.979 -7.679 -2.848 1.00 4.48 H new ATOM 1050 N GLN A 67 -9.818 -3.215 -3.989 1.00 0.86 N ATOM 1051 CA GLN A 67 -9.862 -2.066 -4.932 1.00 0.94 C ATOM 1052 C GLN A 67 -8.469 -1.804 -5.499 1.00 0.71 C ATOM 1053 O GLN A 67 -7.475 -2.174 -4.902 1.00 0.82 O ATOM 1054 CB GLN A 67 -10.298 -0.819 -4.154 1.00 1.40 C ATOM 1055 CG GLN A 67 -11.813 -0.643 -4.211 1.00 2.01 C ATOM 1056 CD GLN A 67 -12.509 -1.873 -3.629 1.00 3.11 C ATOM 1057 OE1 GLN A 67 -12.168 -2.349 -2.571 1.00 4.10 O ATOM 1058 NE2 GLN A 67 -13.497 -2.407 -4.281 1.00 4.24 N ATOM 0 H GLN A 67 -9.448 -2.996 -3.064 1.00 0.86 H new ATOM 0 HA GLN A 67 -10.555 -2.290 -5.743 1.00 0.94 H new ATOM 0 HB2 GLN A 67 -9.976 -0.902 -3.116 1.00 1.40 H new ATOM 0 HB3 GLN A 67 -9.810 0.063 -4.569 1.00 1.40 H new ATOM 0 HG2 GLN A 67 -12.104 0.247 -3.653 1.00 2.01 H new ATOM 0 HG3 GLN A 67 -12.130 -0.491 -5.243 1.00 2.01 H new ATOM 0 HE21 GLN A 67 -13.791 -2.012 -5.174 1.00 4.24 H new ATOM 0 HE22 GLN A 67 -13.979 -3.221 -3.900 1.00 4.24 H new ATOM 1067 N HIS A 68 -8.436 -1.120 -6.603 1.00 0.87 N ATOM 1068 CA HIS A 68 -7.136 -0.793 -7.224 1.00 0.78 C ATOM 1069 C HIS A 68 -6.872 0.687 -6.994 1.00 0.63 C ATOM 1070 O HIS A 68 -7.746 1.508 -7.199 1.00 0.76 O ATOM 1071 CB HIS A 68 -7.171 -1.027 -8.732 1.00 1.06 C ATOM 1072 CG HIS A 68 -5.967 -0.364 -9.403 1.00 1.16 C ATOM 1073 ND1 HIS A 68 -6.097 0.369 -10.469 1.00 1.40 N ATOM 1074 CD2 HIS A 68 -4.650 -0.291 -9.033 1.00 1.20 C ATOM 1075 CE1 HIS A 68 -4.923 0.893 -10.756 1.00 1.52 C ATOM 1076 NE2 HIS A 68 -4.050 0.481 -9.878 1.00 1.39 N ATOM 0 H HIS A 68 -9.256 -0.774 -7.101 1.00 0.87 H new ATOM 0 HA HIS A 68 -6.365 -1.426 -6.784 1.00 0.78 H new ATOM 0 HB2 HIS A 68 -7.168 -2.097 -8.940 1.00 1.06 H new ATOM 0 HB3 HIS A 68 -8.095 -0.624 -9.148 1.00 1.06 H new ATOM 0 HD1 HIS A 68 -6.960 0.514 -10.993 1.00 1.40 H new ATOM 0 HD2 HIS A 68 -4.196 -0.788 -8.189 1.00 1.20 H new ATOM 0 HE1 HIS A 68 -4.717 1.556 -11.583 1.00 1.52 H new ATOM 1084 N ILE A 69 -5.695 1.000 -6.562 1.00 0.65 N ATOM 1085 CA ILE A 69 -5.357 2.429 -6.335 1.00 0.91 C ATOM 1086 C ILE A 69 -4.327 2.791 -7.408 1.00 1.38 C ATOM 1087 O ILE A 69 -4.554 3.678 -8.195 1.00 1.89 O ATOM 1088 CB ILE A 69 -4.801 2.610 -4.910 1.00 0.92 C ATOM 1089 CG1 ILE A 69 -5.524 1.680 -3.919 1.00 0.87 C ATOM 1090 CG2 ILE A 69 -5.049 4.046 -4.465 1.00 1.08 C ATOM 1091 CD1 ILE A 69 -7.036 1.987 -3.879 1.00 0.92 C ATOM 0 H ILE A 69 -4.950 0.335 -6.355 1.00 0.65 H new ATOM 0 HA ILE A 69 -6.225 3.083 -6.412 1.00 0.91 H new ATOM 0 HB ILE A 69 -3.737 2.374 -4.921 1.00 0.92 H new ATOM 0 HG12 ILE A 69 -5.367 0.641 -4.209 1.00 0.87 H new ATOM 0 HG13 ILE A 69 -5.098 1.801 -2.923 1.00 0.87 H new ATOM 0 HG21 ILE A 69 -4.660 4.187 -3.457 1.00 1.08 H new ATOM 0 HG22 ILE A 69 -4.545 4.731 -5.147 1.00 1.08 H new ATOM 0 HG23 ILE A 69 -6.120 4.249 -4.472 1.00 1.08 H new ATOM 0 HD11 ILE A 69 -7.525 1.317 -3.172 1.00 0.92 H new ATOM 0 HD12 ILE A 69 -7.189 3.020 -3.566 1.00 0.92 H new ATOM 0 HD13 ILE A 69 -7.463 1.841 -4.871 1.00 0.92 H new ATOM 1103 N GLY A 70 -3.248 2.051 -7.444 1.00 1.40 N ATOM 1104 CA GLY A 70 -2.193 2.285 -8.486 1.00 2.01 C ATOM 1105 C GLY A 70 -1.393 3.587 -8.361 1.00 1.07 C ATOM 1106 O GLY A 70 -1.747 4.555 -9.004 1.00 2.44 O ATOM 0 H GLY A 70 -3.048 1.290 -6.795 1.00 1.40 H new ATOM 0 HA2 GLY A 70 -1.494 1.449 -8.459 1.00 2.01 H new ATOM 0 HA3 GLY A 70 -2.670 2.269 -9.466 1.00 2.01 H new ATOM 1110 N GLY A 71 -0.309 3.590 -7.614 1.00 1.46 N ATOM 1111 CA GLY A 71 0.509 4.850 -7.508 1.00 0.90 C ATOM 1112 C GLY A 71 0.703 5.367 -6.079 1.00 0.85 C ATOM 1113 O GLY A 71 -0.250 5.520 -5.332 1.00 1.49 O ATOM 0 H GLY A 71 0.041 2.793 -7.083 1.00 1.46 H new ATOM 0 HA2 GLY A 71 1.488 4.670 -7.951 1.00 0.90 H new ATOM 0 HA3 GLY A 71 0.030 5.629 -8.100 1.00 0.90 H new ATOM 1117 N TYR A 72 1.943 5.670 -5.742 1.00 0.96 N ATOM 1118 CA TYR A 72 2.224 6.208 -4.382 1.00 0.84 C ATOM 1119 C TYR A 72 1.570 7.593 -4.243 1.00 0.85 C ATOM 1120 O TYR A 72 0.733 7.784 -3.390 1.00 0.98 O ATOM 1121 CB TYR A 72 3.744 6.315 -4.160 1.00 0.98 C ATOM 1122 CG TYR A 72 4.010 6.936 -2.782 1.00 0.86 C ATOM 1123 CD1 TYR A 72 3.361 6.459 -1.660 1.00 0.81 C ATOM 1124 CD2 TYR A 72 4.878 8.001 -2.646 1.00 1.22 C ATOM 1125 CE1 TYR A 72 3.567 7.042 -0.426 1.00 0.94 C ATOM 1126 CE2 TYR A 72 5.087 8.582 -1.407 1.00 1.24 C ATOM 1127 CZ TYR A 72 4.431 8.109 -0.288 1.00 1.00 C ATOM 1128 OH TYR A 72 4.615 8.709 0.945 1.00 1.25 O ATOM 0 H TYR A 72 2.757 5.566 -6.348 1.00 0.96 H new ATOM 0 HA TYR A 72 1.811 5.534 -3.631 1.00 0.84 H new ATOM 0 HB2 TYR A 72 4.203 5.328 -4.222 1.00 0.98 H new ATOM 0 HB3 TYR A 72 4.196 6.927 -4.941 1.00 0.98 H new ATOM 0 HD1 TYR A 72 2.685 5.621 -1.749 1.00 0.81 H new ATOM 0 HD2 TYR A 72 5.398 8.383 -3.512 1.00 1.22 H new ATOM 0 HE1 TYR A 72 3.047 6.659 0.440 1.00 0.94 H new ATOM 0 HE2 TYR A 72 5.770 9.414 -1.315 1.00 1.24 H new ATOM 0 HH TYR A 72 5.258 9.443 0.859 1.00 1.25 H new ATOM 1138 N THR A 73 1.929 8.515 -5.105 1.00 1.10 N ATOM 1139 CA THR A 73 1.325 9.888 -5.041 1.00 1.24 C ATOM 1140 C THR A 73 -0.204 9.880 -5.303 1.00 1.46 C ATOM 1141 O THR A 73 -0.787 10.914 -5.573 1.00 2.57 O ATOM 1142 CB THR A 73 2.035 10.780 -6.084 1.00 1.72 C ATOM 1143 OG1 THR A 73 2.695 9.882 -6.981 1.00 2.37 O ATOM 1144 CG2 THR A 73 3.175 11.592 -5.461 1.00 1.72 C ATOM 0 H THR A 73 2.613 8.378 -5.849 1.00 1.10 H new ATOM 0 HA THR A 73 1.466 10.277 -4.033 1.00 1.24 H new ATOM 0 HB THR A 73 1.298 11.446 -6.533 1.00 1.72 H new ATOM 0 HG1 THR A 73 3.165 10.395 -7.671 1.00 2.37 H new ATOM 0 HG21 THR A 73 3.647 12.205 -6.229 1.00 1.72 H new ATOM 0 HG22 THR A 73 2.777 12.236 -4.677 1.00 1.72 H new ATOM 0 HG23 THR A 73 3.913 10.914 -5.034 1.00 1.72 H new ATOM 1152 N ASP A 74 -0.801 8.712 -5.243 1.00 1.06 N ATOM 1153 CA ASP A 74 -2.275 8.559 -5.436 1.00 1.07 C ATOM 1154 C ASP A 74 -2.805 7.961 -4.131 1.00 0.87 C ATOM 1155 O ASP A 74 -3.512 8.606 -3.370 1.00 1.03 O ATOM 1156 CB ASP A 74 -2.518 7.596 -6.609 1.00 1.23 C ATOM 1157 CG ASP A 74 -4.015 7.433 -6.902 1.00 1.72 C ATOM 1158 OD1 ASP A 74 -4.707 6.974 -6.007 1.00 3.14 O ATOM 1159 OD2 ASP A 74 -4.364 7.739 -8.031 1.00 2.76 O ATOM 0 H ASP A 74 -0.311 7.836 -5.063 1.00 1.06 H new ATOM 0 HA ASP A 74 -2.772 9.503 -5.662 1.00 1.07 H new ATOM 0 HB2 ASP A 74 -2.011 7.969 -7.499 1.00 1.23 H new ATOM 0 HB3 ASP A 74 -2.083 6.623 -6.379 1.00 1.23 H new ATOM 1164 N PHE A 75 -2.347 6.763 -3.873 1.00 0.70 N ATOM 1165 CA PHE A 75 -2.753 6.051 -2.633 1.00 0.70 C ATOM 1166 C PHE A 75 -2.401 6.932 -1.432 1.00 0.64 C ATOM 1167 O PHE A 75 -3.142 7.017 -0.481 1.00 0.65 O ATOM 1168 CB PHE A 75 -2.003 4.715 -2.583 1.00 0.85 C ATOM 1169 CG PHE A 75 -2.210 4.035 -1.224 1.00 0.84 C ATOM 1170 CD1 PHE A 75 -3.425 3.472 -0.891 1.00 0.94 C ATOM 1171 CD2 PHE A 75 -1.165 3.966 -0.321 1.00 0.88 C ATOM 1172 CE1 PHE A 75 -3.585 2.841 0.323 1.00 0.96 C ATOM 1173 CE2 PHE A 75 -1.326 3.338 0.891 1.00 0.97 C ATOM 1174 CZ PHE A 75 -2.533 2.775 1.211 1.00 0.96 C ATOM 0 H PHE A 75 -1.705 6.247 -4.475 1.00 0.70 H new ATOM 0 HA PHE A 75 -3.825 5.853 -2.615 1.00 0.70 H new ATOM 0 HB2 PHE A 75 -2.357 4.062 -3.381 1.00 0.85 H new ATOM 0 HB3 PHE A 75 -0.940 4.881 -2.755 1.00 0.85 H new ATOM 0 HD1 PHE A 75 -4.252 3.526 -1.583 1.00 0.94 H new ATOM 0 HD2 PHE A 75 -0.213 4.410 -0.571 1.00 0.88 H new ATOM 0 HE1 PHE A 75 -4.536 2.398 0.579 1.00 0.96 H new ATOM 0 HE2 PHE A 75 -0.503 3.289 1.589 1.00 0.97 H new ATOM 0 HZ PHE A 75 -2.661 2.278 2.161 1.00 0.96 H new ATOM 1184 N ALA A 76 -1.263 7.576 -1.524 1.00 0.71 N ATOM 1185 CA ALA A 76 -0.802 8.480 -0.434 1.00 0.83 C ATOM 1186 C ALA A 76 -1.881 9.520 -0.139 1.00 0.89 C ATOM 1187 O ALA A 76 -2.447 9.536 0.936 1.00 0.88 O ATOM 1188 CB ALA A 76 0.488 9.178 -0.888 1.00 1.03 C ATOM 0 H ALA A 76 -0.629 7.510 -2.320 1.00 0.71 H new ATOM 0 HA ALA A 76 -0.611 7.906 0.473 1.00 0.83 H new ATOM 0 HB1 ALA A 76 0.838 9.844 -0.099 1.00 1.03 H new ATOM 0 HB2 ALA A 76 1.252 8.430 -1.097 1.00 1.03 H new ATOM 0 HB3 ALA A 76 0.290 9.757 -1.790 1.00 1.03 H new ATOM 1194 N ALA A 77 -2.144 10.377 -1.098 1.00 1.06 N ATOM 1195 CA ALA A 77 -3.199 11.411 -0.881 1.00 1.27 C ATOM 1196 C ALA A 77 -4.468 10.701 -0.420 1.00 1.23 C ATOM 1197 O ALA A 77 -5.026 11.007 0.604 1.00 1.29 O ATOM 1198 CB ALA A 77 -3.468 12.151 -2.192 1.00 1.40 C ATOM 0 H ALA A 77 -1.681 10.404 -2.006 1.00 1.06 H new ATOM 0 HA ALA A 77 -2.876 12.133 -0.131 1.00 1.27 H new ATOM 0 HB1 ALA A 77 -4.238 12.906 -2.032 1.00 1.40 H new ATOM 0 HB2 ALA A 77 -2.552 12.634 -2.532 1.00 1.40 H new ATOM 0 HB3 ALA A 77 -3.806 11.442 -2.947 1.00 1.40 H new ATOM 1204 N TRP A 78 -4.857 9.740 -1.200 1.00 1.18 N ATOM 1205 CA TRP A 78 -6.073 8.933 -0.896 1.00 1.21 C ATOM 1206 C TRP A 78 -6.149 8.600 0.606 1.00 1.10 C ATOM 1207 O TRP A 78 -7.051 9.055 1.280 1.00 1.42 O ATOM 1208 CB TRP A 78 -5.972 7.659 -1.746 1.00 1.25 C ATOM 1209 CG TRP A 78 -7.090 6.643 -1.588 1.00 1.32 C ATOM 1210 CD1 TRP A 78 -8.248 6.623 -2.294 1.00 1.56 C ATOM 1211 CD2 TRP A 78 -7.223 5.625 -0.674 1.00 1.25 C ATOM 1212 NE1 TRP A 78 -9.025 5.696 -1.838 1.00 1.61 N ATOM 1213 CE2 TRP A 78 -8.462 5.042 -0.844 1.00 1.43 C ATOM 1214 CE3 TRP A 78 -6.345 5.170 0.288 1.00 1.11 C ATOM 1215 CZ2 TRP A 78 -8.862 4.008 -0.035 1.00 1.47 C ATOM 1216 CZ3 TRP A 78 -6.757 4.122 1.096 1.00 1.20 C ATOM 1217 CH2 TRP A 78 -8.004 3.549 0.940 1.00 1.36 C ATOM 0 H TRP A 78 -4.374 9.470 -2.057 1.00 1.18 H new ATOM 0 HA TRP A 78 -6.982 9.485 -1.134 1.00 1.21 H new ATOM 0 HB2 TRP A 78 -5.925 7.953 -2.795 1.00 1.25 H new ATOM 0 HB3 TRP A 78 -5.029 7.166 -1.510 1.00 1.25 H new ATOM 0 HD1 TRP A 78 -8.486 7.283 -3.115 1.00 1.56 H new ATOM 0 HE1 TRP A 78 -9.957 5.497 -2.202 1.00 1.61 H new ATOM 0 HE3 TRP A 78 -5.369 5.616 0.408 1.00 1.11 H new ATOM 0 HZ2 TRP A 78 -9.837 3.560 -0.161 1.00 1.47 H new ATOM 0 HZ3 TRP A 78 -6.092 3.747 1.860 1.00 1.20 H new ATOM 0 HH2 TRP A 78 -8.308 2.738 1.585 1.00 1.36 H new ATOM 1228 N VAL A 79 -5.208 7.817 1.085 1.00 0.75 N ATOM 1229 CA VAL A 79 -5.191 7.453 2.537 1.00 0.71 C ATOM 1230 C VAL A 79 -5.500 8.697 3.349 1.00 0.87 C ATOM 1231 O VAL A 79 -6.378 8.695 4.202 1.00 1.04 O ATOM 1232 CB VAL A 79 -3.797 6.930 2.926 1.00 0.62 C ATOM 1233 CG1 VAL A 79 -3.668 6.851 4.452 1.00 0.82 C ATOM 1234 CG2 VAL A 79 -3.585 5.525 2.357 1.00 0.67 C ATOM 0 H VAL A 79 -4.452 7.415 0.531 1.00 0.75 H new ATOM 0 HA VAL A 79 -5.932 6.678 2.732 1.00 0.71 H new ATOM 0 HB VAL A 79 -3.052 7.616 2.522 1.00 0.62 H new ATOM 0 HG11 VAL A 79 -2.677 6.480 4.715 1.00 0.82 H new ATOM 0 HG12 VAL A 79 -3.809 7.843 4.881 1.00 0.82 H new ATOM 0 HG13 VAL A 79 -4.426 6.174 4.847 1.00 0.82 H new ATOM 0 HG21 VAL A 79 -2.596 5.164 2.638 1.00 0.67 H new ATOM 0 HG22 VAL A 79 -4.344 4.852 2.757 1.00 0.67 H new ATOM 0 HG23 VAL A 79 -3.665 5.557 1.270 1.00 0.67 H new ATOM 1244 N LYS A 80 -4.735 9.717 3.050 1.00 1.01 N ATOM 1245 CA LYS A 80 -4.903 11.015 3.748 1.00 1.34 C ATOM 1246 C LYS A 80 -6.396 11.395 3.798 1.00 1.44 C ATOM 1247 O LYS A 80 -6.867 11.868 4.809 1.00 1.98 O ATOM 1248 CB LYS A 80 -4.066 12.057 2.992 1.00 1.43 C ATOM 1249 CG LYS A 80 -3.430 13.067 3.965 1.00 1.94 C ATOM 1250 CD LYS A 80 -4.491 13.976 4.620 1.00 2.21 C ATOM 1251 CE LYS A 80 -5.464 14.533 3.569 1.00 2.90 C ATOM 1252 NZ LYS A 80 -4.753 14.907 2.303 1.00 5.04 N ATOM 0 H LYS A 80 -3.997 9.700 2.346 1.00 1.01 H new ATOM 0 HA LYS A 80 -4.559 10.959 4.781 1.00 1.34 H new ATOM 0 HB2 LYS A 80 -3.285 11.556 2.421 1.00 1.43 H new ATOM 0 HB3 LYS A 80 -4.696 12.584 2.276 1.00 1.43 H new ATOM 0 HG2 LYS A 80 -2.883 12.530 4.740 1.00 1.94 H new ATOM 0 HG3 LYS A 80 -2.705 13.681 3.430 1.00 1.94 H new ATOM 0 HD2 LYS A 80 -5.045 13.412 5.371 1.00 2.21 H new ATOM 0 HD3 LYS A 80 -4.000 14.799 5.138 1.00 2.21 H new ATOM 0 HE2 LYS A 80 -6.230 13.789 3.351 1.00 2.90 H new ATOM 0 HE3 LYS A 80 -5.975 15.407 3.972 1.00 2.90 H new ATOM 0 HZ1 LYS A 80 -5.324 15.597 1.775 1.00 5.04 H new ATOM 0 HZ2 LYS A 80 -3.830 15.326 2.534 1.00 5.04 H new ATOM 0 HZ3 LYS A 80 -4.611 14.057 1.720 1.00 5.04 H new ATOM 1266 N GLU A 81 -7.093 11.192 2.712 1.00 1.24 N ATOM 1267 CA GLU A 81 -8.560 11.519 2.686 1.00 1.38 C ATOM 1268 C GLU A 81 -9.440 10.266 2.706 1.00 1.36 C ATOM 1269 O GLU A 81 -10.553 10.313 2.213 1.00 1.76 O ATOM 1270 CB GLU A 81 -8.886 12.296 1.396 1.00 1.75 C ATOM 1271 CG GLU A 81 -8.614 13.795 1.580 1.00 2.46 C ATOM 1272 CD GLU A 81 -7.210 14.184 1.104 1.00 3.49 C ATOM 1273 OE1 GLU A 81 -6.434 13.292 0.824 1.00 3.84 O ATOM 1274 OE2 GLU A 81 -6.956 15.370 1.098 1.00 4.80 O ATOM 0 H GLU A 81 -6.717 10.816 1.842 1.00 1.24 H new ATOM 0 HA GLU A 81 -8.770 12.107 3.579 1.00 1.38 H new ATOM 0 HB2 GLU A 81 -8.285 11.911 0.572 1.00 1.75 H new ATOM 0 HB3 GLU A 81 -9.931 12.142 1.127 1.00 1.75 H new ATOM 0 HG2 GLU A 81 -9.357 14.369 1.027 1.00 2.46 H new ATOM 0 HG3 GLU A 81 -8.727 14.058 2.632 1.00 2.46 H new ATOM 1281 N ASN A 82 -8.951 9.177 3.227 1.00 1.34 N ATOM 1282 CA ASN A 82 -9.806 7.958 3.251 1.00 1.36 C ATOM 1283 C ASN A 82 -9.882 7.295 4.601 1.00 1.16 C ATOM 1284 O ASN A 82 -10.951 6.901 5.022 1.00 1.29 O ATOM 1285 CB ASN A 82 -9.326 6.951 2.195 1.00 1.62 C ATOM 1286 CG ASN A 82 -9.922 7.326 0.837 1.00 1.69 C ATOM 1287 OD1 ASN A 82 -10.818 6.676 0.336 1.00 1.89 O ATOM 1288 ND2 ASN A 82 -9.471 8.373 0.225 1.00 1.94 N ATOM 0 H ASN A 82 -8.019 9.077 3.629 1.00 1.34 H new ATOM 0 HA ASN A 82 -10.817 8.293 3.018 1.00 1.36 H new ATOM 0 HB2 ASN A 82 -8.237 6.953 2.141 1.00 1.62 H new ATOM 0 HB3 ASN A 82 -9.629 5.942 2.473 1.00 1.62 H new ATOM 0 HD21 ASN A 82 -9.868 8.649 -0.673 1.00 1.94 H new ATOM 0 HD22 ASN A 82 -8.719 8.922 0.641 1.00 1.94 H new ATOM 1295 N LEU A 83 -8.782 7.186 5.260 1.00 1.04 N ATOM 1296 CA LEU A 83 -8.831 6.549 6.600 1.00 1.09 C ATOM 1297 C LEU A 83 -8.788 7.700 7.587 1.00 1.25 C ATOM 1298 O LEU A 83 -8.267 7.583 8.680 1.00 1.50 O ATOM 1299 CB LEU A 83 -7.619 5.625 6.759 1.00 1.18 C ATOM 1300 CG LEU A 83 -7.481 4.746 5.509 1.00 1.00 C ATOM 1301 CD1 LEU A 83 -6.284 3.810 5.688 1.00 1.19 C ATOM 1302 CD2 LEU A 83 -8.767 3.931 5.305 1.00 1.12 C ATOM 0 H LEU A 83 -7.864 7.500 4.945 1.00 1.04 H new ATOM 0 HA LEU A 83 -9.721 5.938 6.755 1.00 1.09 H new ATOM 0 HB2 LEU A 83 -6.714 6.215 6.904 1.00 1.18 H new ATOM 0 HB3 LEU A 83 -7.737 5.001 7.645 1.00 1.18 H new ATOM 0 HG LEU A 83 -7.322 5.372 4.631 1.00 1.00 H new ATOM 0 HD11 LEU A 83 -6.178 3.181 4.804 1.00 1.19 H new ATOM 0 HD12 LEU A 83 -5.378 4.400 5.824 1.00 1.19 H new ATOM 0 HD13 LEU A 83 -6.442 3.181 6.564 1.00 1.19 H new ATOM 0 HD21 LEU A 83 -8.666 3.308 4.416 1.00 1.12 H new ATOM 0 HD22 LEU A 83 -8.938 3.297 6.175 1.00 1.12 H new ATOM 0 HD23 LEU A 83 -9.611 4.609 5.178 1.00 1.12 H new ATOM 1314 N ASP A 84 -9.377 8.789 7.135 1.00 1.48 N ATOM 1315 CA ASP A 84 -9.414 10.032 7.915 1.00 1.67 C ATOM 1316 C ASP A 84 -7.969 10.382 8.254 1.00 3.14 C ATOM 1317 O ASP A 84 -7.712 11.004 9.265 1.00 3.92 O ATOM 1318 CB ASP A 84 -10.255 9.816 9.175 1.00 3.28 C ATOM 1319 CG ASP A 84 -11.581 9.147 8.804 1.00 5.13 C ATOM 1320 OD1 ASP A 84 -12.504 9.891 8.526 1.00 6.15 O ATOM 1321 OD2 ASP A 84 -11.591 7.924 8.814 1.00 6.12 O ATOM 0 H ASP A 84 -9.841 8.849 6.229 1.00 1.48 H new ATOM 0 HA ASP A 84 -9.871 10.851 7.360 1.00 1.67 H new ATOM 0 HB2 ASP A 84 -9.710 9.195 9.885 1.00 3.28 H new ATOM 0 HB3 ASP A 84 -10.443 10.771 9.666 1.00 3.28 H new