USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.89) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 13 ASN : amide:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.434) USER MOD Single : A 22 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.11) USER MOD Single : A 28 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.3!) USER MOD Single : A 29 THR OG1 : rot -150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -9.09! C(o=-9.1!,f=-18!) USER MOD Single : A 41 MET CE :methyl -160:sc= -0.0214 (180deg=-0.746) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.0757 (180deg=-1.31) USER MOD Single : A 49 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.07) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.372 (180deg=-1.34!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1.8) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.5) USER MOD Single : A 67 GLN : amide:sc=-0.00608 K(o=-0.0061,f=0.8) USER MOD Single : A 68 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-3.1!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.198 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -171:sc= -3.52! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 145:sc= -1.66 (180deg=-2.88!) USER MOD Single : A 83 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.047) USER MOD Single : A 84 TYR OH : rot 15:sc= -1.17 USER MOD Single : A 85 THR OG1 : rot -172:sc= -5.46! USER MOD Single : A 90 ASN : amide:sc= -4.26 K(o=-4.3,f=-3.4) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.0749 X(o=0.075,f=0.046) USER MOD Single : A 97 HIS : no HE2:sc= -4.39! K(o=-4.4!,f=-3.2) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 99 TYR OH : rot 155:sc= -0.98 USER MOD Single : A 100 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 0.325 23.789 -5.472 1.00 1.39 N ATOM 2 CA ASN A 4 1.138 22.605 -5.217 1.00 1.19 C ATOM 3 C ASN A 4 1.300 22.380 -3.718 1.00 0.98 C ATOM 4 O ASN A 4 2.210 22.922 -3.092 1.00 1.50 O ATOM 5 CB ASN A 4 2.510 22.747 -5.878 1.00 1.71 C ATOM 6 CG ASN A 4 2.973 21.459 -6.530 1.00 1.99 C ATOM 7 OD1 ASN A 4 3.014 20.408 -5.892 1.00 2.33 O ATOM 8 ND2 ASN A 4 3.326 21.536 -7.807 1.00 2.64 N ATOM 0 HA ASN A 4 0.629 21.742 -5.646 1.00 1.19 H new ATOM 0 HB2 ASN A 4 2.469 23.537 -6.628 1.00 1.71 H new ATOM 0 HB3 ASN A 4 3.240 23.056 -5.130 1.00 1.71 H new ATOM 0 HD21 ASN A 4 3.647 20.702 -8.298 1.00 2.64 H new ATOM 0 HD22 ASN A 4 3.276 22.429 -8.297 1.00 2.64 H new ATOM 15 N ASN A 5 0.404 21.581 -3.151 1.00 0.76 N ATOM 16 CA ASN A 5 0.440 21.286 -1.721 1.00 0.53 C ATOM 17 C ASN A 5 -0.170 19.915 -1.441 1.00 0.49 C ATOM 18 O ASN A 5 -0.221 19.060 -2.325 1.00 0.60 O ATOM 19 CB ASN A 5 -0.306 22.356 -0.912 1.00 0.52 C ATOM 20 CG ASN A 5 -0.540 23.651 -1.674 1.00 0.63 C ATOM 21 OD1 ASN A 5 0.327 24.525 -1.715 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.714 23.778 -2.280 1.00 1.41 N ATOM 0 H ASN A 5 -0.356 21.126 -3.657 1.00 0.76 H new ATOM 0 HA ASN A 5 1.485 21.285 -1.413 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.268 21.953 -0.595 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.261 22.575 -0.008 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -1.927 24.625 -2.806 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -2.403 23.028 -2.220 1.00 1.41 H new ATOM 29 N LYS A 6 -0.628 19.704 -0.207 1.00 0.45 N ATOM 30 CA LYS A 6 -1.223 18.435 0.170 1.00 0.49 C ATOM 31 C LYS A 6 -2.717 18.559 0.441 1.00 0.49 C ATOM 32 O LYS A 6 -3.174 19.498 1.095 1.00 0.56 O ATOM 33 CB LYS A 6 -0.530 17.870 1.404 1.00 0.64 C ATOM 34 CG LYS A 6 0.912 17.462 1.160 1.00 1.28 C ATOM 35 CD LYS A 6 1.790 18.667 0.863 1.00 1.76 C ATOM 36 CE LYS A 6 3.134 18.562 1.564 1.00 2.52 C ATOM 37 NZ LYS A 6 4.056 19.663 1.169 1.00 3.06 N ATOM 0 H LYS A 6 -0.596 20.396 0.541 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.089 17.757 -0.673 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.558 18.615 2.199 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.088 17.004 1.759 1.00 0.64 H new ATOM 0 HG2 LYS A 6 1.296 16.938 2.035 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.957 16.763 0.325 1.00 1.28 H new ATOM 0 HD2 LYS A 6 1.945 18.750 -0.213 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.282 19.577 1.183 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.983 18.585 2.643 1.00 2.52 H new ATOM 0 HE3 LYS A 6 3.593 17.602 1.327 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.961 19.554 1.670 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.221 19.626 0.143 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.630 20.579 1.418 1.00 3.06 H new ATOM 51 N ARG A 7 -3.455 17.573 -0.043 1.00 0.50 N ATOM 52 CA ARG A 7 -4.891 17.496 0.143 1.00 0.52 C ATOM 53 C ARG A 7 -5.299 16.029 0.138 1.00 0.47 C ATOM 54 O ARG A 7 -5.057 15.311 -0.843 1.00 0.43 O ATOM 55 CB ARG A 7 -5.630 18.255 -0.960 1.00 0.57 C ATOM 56 CG ARG A 7 -5.576 19.766 -0.807 1.00 0.77 C ATOM 57 CD ARG A 7 -4.285 20.334 -1.368 1.00 0.64 C ATOM 58 NE ARG A 7 -4.528 21.349 -2.391 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.786 21.070 -3.665 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.828 19.811 -4.079 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.996 22.051 -4.531 1.00 2.11 N ATOM 0 H ARG A 7 -3.068 16.797 -0.581 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.158 17.958 1.094 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.203 17.981 -1.925 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.673 17.937 -0.971 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.426 20.216 -1.320 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.664 20.030 0.247 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.699 20.769 -0.558 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.689 19.527 -1.794 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.498 22.329 -2.111 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -4.662 19.051 -3.419 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -5.026 19.602 -5.058 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.960 23.022 -4.220 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.194 21.835 -5.508 1.00 2.11 H new ATOM 75 N ALA A 8 -5.897 15.585 1.240 1.00 0.50 N ATOM 76 CA ALA A 8 -6.319 14.197 1.387 1.00 0.47 C ATOM 77 C ALA A 8 -7.015 13.676 0.132 1.00 0.44 C ATOM 78 O ALA A 8 -8.130 14.092 -0.185 1.00 0.56 O ATOM 79 CB ALA A 8 -7.235 14.057 2.593 1.00 0.54 C ATOM 0 H ALA A 8 -6.101 16.172 2.049 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.424 13.593 1.538 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.545 13.017 2.695 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.703 14.367 3.492 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.114 14.686 2.457 1.00 0.54 H new ATOM 85 N PRO A 9 -6.371 12.746 -0.601 1.00 0.36 N ATOM 86 CA PRO A 9 -6.946 12.172 -1.817 1.00 0.37 C ATOM 87 C PRO A 9 -8.169 11.318 -1.517 1.00 0.37 C ATOM 88 O PRO A 9 -8.162 10.506 -0.591 1.00 0.40 O ATOM 89 CB PRO A 9 -5.812 11.311 -2.399 1.00 0.39 C ATOM 90 CG PRO A 9 -4.583 11.713 -1.654 1.00 0.51 C ATOM 91 CD PRO A 9 -5.048 12.182 -0.307 1.00 0.41 C ATOM 0 HA PRO A 9 -7.292 12.943 -2.505 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -6.020 10.249 -2.269 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.697 11.485 -3.469 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.894 10.874 -1.558 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -4.050 12.505 -2.180 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.107 11.362 0.409 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.375 12.927 0.117 1.00 0.41 H new ATOM 99 N TYR A 10 -9.220 11.511 -2.304 1.00 0.38 N ATOM 100 CA TYR A 10 -10.454 10.763 -2.120 1.00 0.41 C ATOM 101 C TYR A 10 -10.364 9.403 -2.799 1.00 0.38 C ATOM 102 O TYR A 10 -9.734 9.260 -3.847 1.00 0.44 O ATOM 103 CB TYR A 10 -11.640 11.549 -2.682 1.00 0.49 C ATOM 104 CG TYR A 10 -11.413 12.069 -4.083 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.537 11.230 -5.184 1.00 2.02 C ATOM 106 CD2 TYR A 10 -11.076 13.398 -4.307 1.00 1.90 C ATOM 107 CE1 TYR A 10 -11.329 11.701 -6.467 1.00 2.96 C ATOM 108 CE2 TYR A 10 -10.868 13.876 -5.586 1.00 2.78 C ATOM 109 CZ TYR A 10 -10.996 13.021 -6.663 1.00 3.18 C ATOM 110 OH TYR A 10 -10.788 13.498 -7.937 1.00 4.20 O ATOM 0 H TYR A 10 -9.241 12.179 -3.075 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.604 10.610 -1.051 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -12.523 10.909 -2.680 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.854 12.390 -2.022 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -11.800 10.193 -5.035 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -10.975 14.069 -3.467 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -11.428 11.035 -7.312 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.607 14.912 -5.743 1.00 2.78 H new ATOM 0 HH TYR A 10 -10.562 14.451 -7.897 1.00 4.20 H new ATOM 120 N TRP A 11 -10.999 8.408 -2.192 1.00 0.47 N ATOM 121 CA TRP A 11 -10.992 7.057 -2.732 1.00 0.49 C ATOM 122 C TRP A 11 -11.380 7.058 -4.207 1.00 0.42 C ATOM 123 O TRP A 11 -12.457 7.529 -4.574 1.00 0.45 O ATOM 124 CB TRP A 11 -11.960 6.168 -1.947 1.00 0.60 C ATOM 125 CG TRP A 11 -11.277 5.142 -1.096 1.00 0.83 C ATOM 126 CD1 TRP A 11 -10.015 4.648 -1.256 1.00 1.71 C ATOM 127 CD2 TRP A 11 -11.825 4.481 0.050 1.00 1.65 C ATOM 128 NE1 TRP A 11 -9.742 3.723 -0.278 1.00 2.26 N ATOM 129 CE2 TRP A 11 -10.839 3.602 0.536 1.00 2.17 C ATOM 130 CE3 TRP A 11 -13.054 4.548 0.713 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -11.044 2.797 1.653 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -13.256 3.748 1.822 1.00 3.54 C ATOM 133 CH2 TRP A 11 -12.256 2.883 2.282 1.00 3.60 C ATOM 0 H TRP A 11 -11.525 8.513 -1.325 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.981 6.662 -2.638 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -12.584 6.797 -1.312 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -12.625 5.663 -2.647 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -9.330 4.942 -2.038 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -8.867 3.210 -0.174 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -13.831 5.212 0.365 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -10.274 2.129 2.010 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -14.201 3.791 2.342 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -12.445 2.271 3.151 1.00 3.60 H new ATOM 144 N THR A 12 -10.503 6.519 -5.047 1.00 0.45 N ATOM 145 CA THR A 12 -10.772 6.451 -6.475 1.00 0.50 C ATOM 146 C THR A 12 -11.357 5.087 -6.822 1.00 0.55 C ATOM 147 O THR A 12 -12.574 4.932 -6.916 1.00 0.64 O ATOM 148 CB THR A 12 -9.498 6.708 -7.306 1.00 0.61 C ATOM 149 OG1 THR A 12 -9.023 8.040 -7.072 1.00 1.28 O ATOM 150 CG2 THR A 12 -9.765 6.519 -8.793 1.00 1.23 C ATOM 0 H THR A 12 -9.605 6.126 -4.764 1.00 0.45 H new ATOM 0 HA THR A 12 -11.491 7.232 -6.722 1.00 0.50 H new ATOM 0 HB THR A 12 -8.742 5.987 -6.996 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.213 8.196 -7.601 1.00 1.28 H new ATOM 0 HG21 THR A 12 -8.849 6.707 -9.354 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.100 5.498 -8.976 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.538 7.217 -9.116 1.00 1.23 H new ATOM 158 N ASN A 13 -10.492 4.094 -6.985 1.00 0.56 N ATOM 159 CA ASN A 13 -10.940 2.744 -7.290 1.00 0.66 C ATOM 160 C ASN A 13 -11.185 1.978 -5.998 1.00 0.63 C ATOM 161 O ASN A 13 -10.331 1.956 -5.112 1.00 0.58 O ATOM 162 CB ASN A 13 -9.901 2.008 -8.136 1.00 0.73 C ATOM 163 CG ASN A 13 -9.781 2.581 -9.535 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.609 2.302 -10.404 1.00 2.05 O ATOM 165 ND2 ASN A 13 -8.751 3.385 -9.760 1.00 1.96 N ATOM 0 H ASN A 13 -9.480 4.199 -6.911 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.868 2.808 -7.857 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.931 2.060 -7.641 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.170 0.954 -8.200 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -8.620 3.800 -10.682 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -8.090 3.589 -9.011 1.00 1.96 H new ATOM 172 N THR A 14 -12.349 1.351 -5.889 1.00 0.74 N ATOM 173 CA THR A 14 -12.680 0.591 -4.696 1.00 0.78 C ATOM 174 C THR A 14 -11.732 -0.591 -4.550 1.00 0.76 C ATOM 175 O THR A 14 -11.537 -1.358 -5.494 1.00 0.78 O ATOM 176 CB THR A 14 -14.131 0.075 -4.737 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.520 -0.182 -6.092 1.00 1.06 O ATOM 178 CG2 THR A 14 -15.080 1.089 -4.116 1.00 1.15 C ATOM 0 H THR A 14 -13.073 1.354 -6.607 1.00 0.74 H new ATOM 0 HA THR A 14 -12.576 1.260 -3.841 1.00 0.78 H new ATOM 0 HB THR A 14 -14.183 -0.850 -4.162 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.443 -0.511 -6.111 1.00 1.06 H new ATOM 0 HG21 THR A 14 -16.099 0.705 -4.155 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.798 1.263 -3.078 1.00 1.15 H new ATOM 0 HG23 THR A 14 -15.024 2.026 -4.670 1.00 1.15 H new ATOM 186 N GLU A 15 -11.159 -0.754 -3.362 1.00 0.76 N ATOM 187 CA GLU A 15 -10.248 -1.860 -3.113 1.00 0.77 C ATOM 188 C GLU A 15 -11.023 -3.155 -2.906 1.00 0.82 C ATOM 189 O GLU A 15 -10.457 -4.246 -2.981 1.00 0.82 O ATOM 190 CB GLU A 15 -9.376 -1.567 -1.893 1.00 0.79 C ATOM 191 CG GLU A 15 -8.978 -0.104 -1.771 1.00 1.35 C ATOM 192 CD GLU A 15 -9.526 0.542 -0.514 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.655 0.195 -0.112 1.00 2.50 O ATOM 194 OE2 GLU A 15 -8.825 1.395 0.071 1.00 2.06 O ATOM 0 H GLU A 15 -11.309 -0.138 -2.563 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.604 -1.977 -3.984 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.912 -1.866 -0.992 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.475 -2.178 -1.945 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.891 -0.025 -1.772 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.338 0.442 -2.643 1.00 1.35 H new ATOM 201 N LYS A 16 -12.329 -3.032 -2.675 1.00 0.88 N ATOM 202 CA LYS A 16 -13.169 -4.198 -2.494 1.00 0.95 C ATOM 203 C LYS A 16 -13.368 -4.902 -3.833 1.00 0.98 C ATOM 204 O LYS A 16 -13.728 -6.075 -3.880 1.00 1.01 O ATOM 205 CB LYS A 16 -14.520 -3.805 -1.898 1.00 1.04 C ATOM 206 CG LYS A 16 -15.414 -4.996 -1.594 1.00 1.44 C ATOM 207 CD LYS A 16 -15.874 -4.993 -0.145 1.00 1.61 C ATOM 208 CE LYS A 16 -14.926 -5.784 0.740 1.00 2.37 C ATOM 209 NZ LYS A 16 -14.955 -5.311 2.151 1.00 2.83 N ATOM 0 H LYS A 16 -12.819 -2.140 -2.610 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.676 -4.879 -1.800 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.354 -3.241 -0.980 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -15.035 -3.141 -2.592 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -16.282 -4.978 -2.252 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.875 -5.920 -1.804 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.939 -3.966 0.215 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -16.876 -5.418 -0.079 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -15.194 -6.840 0.706 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -13.911 -5.700 0.350 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -14.294 -5.877 2.721 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -14.674 -4.310 2.188 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -15.917 -5.415 2.532 1.00 2.83 H new ATOM 223 N MET A 17 -13.126 -4.176 -4.927 1.00 0.98 N ATOM 224 CA MET A 17 -13.266 -4.740 -6.262 1.00 1.04 C ATOM 225 C MET A 17 -11.909 -4.796 -6.964 1.00 1.03 C ATOM 226 O MET A 17 -11.839 -4.946 -8.184 1.00 1.17 O ATOM 227 CB MET A 17 -14.249 -3.906 -7.088 1.00 1.21 C ATOM 228 CG MET A 17 -15.621 -3.777 -6.450 1.00 1.44 C ATOM 229 SD MET A 17 -16.453 -5.365 -6.257 1.00 1.83 S ATOM 230 CE MET A 17 -18.047 -4.842 -5.631 1.00 2.16 C ATOM 0 H MET A 17 -12.833 -3.199 -4.910 1.00 0.98 H new ATOM 0 HA MET A 17 -13.653 -5.755 -6.169 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.832 -2.910 -7.237 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.357 -4.358 -8.074 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.520 -3.304 -5.473 1.00 1.44 H new ATOM 0 HG3 MET A 17 -16.240 -3.119 -7.060 1.00 1.44 H new ATOM 0 HE1 MET A 17 -18.676 -5.716 -5.462 1.00 2.16 H new ATOM 0 HE2 MET A 17 -17.911 -4.305 -4.692 1.00 2.16 H new ATOM 0 HE3 MET A 17 -18.526 -4.186 -6.358 1.00 2.16 H new ATOM 240 N GLU A 18 -10.832 -4.675 -6.185 1.00 0.95 N ATOM 241 CA GLU A 18 -9.485 -4.714 -6.732 1.00 1.06 C ATOM 242 C GLU A 18 -8.721 -5.924 -6.204 1.00 0.96 C ATOM 243 O GLU A 18 -8.398 -6.840 -6.961 1.00 1.57 O ATOM 244 CB GLU A 18 -8.732 -3.428 -6.381 1.00 1.43 C ATOM 245 CG GLU A 18 -8.019 -2.798 -7.566 1.00 1.29 C ATOM 246 CD GLU A 18 -8.978 -2.232 -8.593 1.00 2.13 C ATOM 247 OE1 GLU A 18 -9.693 -3.026 -9.239 1.00 2.88 O ATOM 248 OE2 GLU A 18 -9.016 -0.994 -8.752 1.00 2.56 O ATOM 0 H GLU A 18 -10.872 -4.549 -5.174 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.561 -4.798 -7.816 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.436 -2.707 -5.966 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.001 -3.646 -5.602 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -7.364 -2.003 -7.210 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.384 -3.545 -8.041 1.00 1.29 H new ATOM 255 N LYS A 19 -8.433 -5.925 -4.903 1.00 0.84 N ATOM 256 CA LYS A 19 -7.703 -7.032 -4.298 1.00 1.08 C ATOM 257 C LYS A 19 -7.842 -7.061 -2.777 1.00 0.87 C ATOM 258 O LYS A 19 -7.034 -6.463 -2.066 1.00 0.87 O ATOM 259 CB LYS A 19 -6.220 -6.952 -4.671 1.00 1.66 C ATOM 260 CG LYS A 19 -5.744 -8.120 -5.521 1.00 2.57 C ATOM 261 CD LYS A 19 -5.218 -9.256 -4.658 1.00 2.87 C ATOM 262 CE LYS A 19 -3.700 -9.327 -4.699 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.193 -10.640 -4.209 1.00 4.14 N ATOM 0 H LYS A 19 -8.692 -5.180 -4.256 1.00 0.84 H new ATOM 0 HA LYS A 19 -8.140 -7.951 -4.689 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -6.039 -6.023 -5.211 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.626 -6.911 -3.758 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -6.566 -8.481 -6.139 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -4.960 -7.783 -6.199 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.550 -9.117 -3.629 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.637 -10.201 -5.003 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.356 -9.163 -5.720 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -3.282 -8.526 -4.089 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.236 -10.520 -3.821 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -3.825 -11.001 -3.466 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -3.164 -11.317 -4.998 1.00 4.14 H new ATOM 277 N ARG A 20 -8.840 -7.787 -2.273 1.00 0.98 N ATOM 278 CA ARG A 20 -9.019 -7.902 -0.827 1.00 0.92 C ATOM 279 C ARG A 20 -8.766 -9.332 -0.363 1.00 0.94 C ATOM 280 O ARG A 20 -7.618 -9.693 -0.138 1.00 1.30 O ATOM 281 CB ARG A 20 -10.394 -7.417 -0.350 1.00 0.95 C ATOM 282 CG ARG A 20 -11.409 -7.190 -1.463 1.00 1.64 C ATOM 283 CD ARG A 20 -11.961 -8.509 -1.986 1.00 2.15 C ATOM 284 NE ARG A 20 -13.013 -8.316 -2.977 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.912 -9.246 -3.284 1.00 3.29 C ATOM 286 NH1 ARG A 20 -13.884 -10.427 -2.683 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.843 -8.994 -4.198 1.00 4.11 N ATOM 0 H ARG A 20 -9.525 -8.295 -2.833 1.00 0.98 H new ATOM 0 HA ARG A 20 -8.280 -7.242 -0.372 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.799 -8.148 0.350 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.265 -6.486 0.201 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -12.227 -6.573 -1.092 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.940 -6.640 -2.279 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.151 -9.089 -2.428 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.353 -9.092 -1.153 1.00 2.15 H new ATOM 0 HE ARG A 20 -13.062 -7.419 -3.461 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -13.171 -10.625 -1.982 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -14.576 -11.137 -2.922 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -14.868 -8.087 -4.664 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -15.533 -9.708 -4.434 1.00 4.11 H new ATOM 301 N LEU A 21 -9.824 -10.145 -0.220 1.00 1.59 N ATOM 302 CA LEU A 21 -9.659 -11.518 0.246 1.00 1.80 C ATOM 303 C LEU A 21 -9.092 -12.414 -0.838 1.00 1.48 C ATOM 304 O LEU A 21 -9.831 -13.037 -1.599 1.00 2.41 O ATOM 305 CB LEU A 21 -11.006 -12.075 0.710 1.00 3.05 C ATOM 306 CG LEU A 21 -11.346 -11.814 2.179 1.00 3.76 C ATOM 307 CD1 LEU A 21 -12.117 -10.513 2.324 1.00 4.55 C ATOM 308 CD2 LEU A 21 -12.142 -12.976 2.754 1.00 4.31 C ATOM 0 H LEU A 21 -10.787 -9.875 -0.419 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.954 -11.502 1.077 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -11.792 -11.645 0.089 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -11.016 -13.151 0.537 1.00 3.05 H new ATOM 0 HG LEU A 21 -10.415 -11.724 2.739 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -12.350 -10.344 3.375 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -11.512 -9.688 1.949 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -13.043 -10.573 1.752 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -12.376 -12.775 3.799 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -13.068 -13.096 2.192 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -11.553 -13.891 2.683 1.00 4.31 H new ATOM 320 N HIS A 22 -7.765 -12.468 -0.904 1.00 0.87 N ATOM 321 CA HIS A 22 -7.085 -13.286 -1.905 1.00 1.59 C ATOM 322 C HIS A 22 -5.955 -14.101 -1.283 1.00 1.16 C ATOM 323 O HIS A 22 -5.756 -14.084 -0.069 1.00 1.19 O ATOM 324 CB HIS A 22 -6.533 -12.396 -3.020 1.00 2.66 C ATOM 325 CG HIS A 22 -7.592 -11.818 -3.904 1.00 3.21 C ATOM 326 ND1 HIS A 22 -7.835 -12.269 -5.185 1.00 4.07 N ATOM 327 CD2 HIS A 22 -8.478 -10.816 -3.686 1.00 3.32 C ATOM 328 CE1 HIS A 22 -8.822 -11.571 -5.716 1.00 4.62 C ATOM 329 NE2 HIS A 22 -9.229 -10.685 -4.827 1.00 4.23 N ATOM 0 H HIS A 22 -7.141 -11.958 -0.279 1.00 0.87 H new ATOM 0 HA HIS A 22 -7.813 -13.982 -2.322 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -5.960 -11.583 -2.574 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -5.841 -12.978 -3.629 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -8.575 -10.230 -2.784 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -9.227 -11.703 -6.708 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -9.982 -10.011 -4.966 1.00 4.23 H new ATOM 338 N ALA A 23 -5.212 -14.804 -2.133 1.00 1.06 N ATOM 339 CA ALA A 23 -4.091 -15.619 -1.685 1.00 0.93 C ATOM 340 C ALA A 23 -2.805 -15.179 -2.376 1.00 0.84 C ATOM 341 O ALA A 23 -2.779 -14.990 -3.592 1.00 0.97 O ATOM 342 CB ALA A 23 -4.363 -17.090 -1.958 1.00 1.21 C ATOM 0 H ALA A 23 -5.369 -14.824 -3.141 1.00 1.06 H new ATOM 0 HA ALA A 23 -3.971 -15.483 -0.610 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -3.516 -17.686 -1.618 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -5.262 -17.399 -1.424 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -4.506 -17.241 -3.028 1.00 1.21 H new ATOM 348 N VAL A 24 -1.742 -15.005 -1.598 1.00 0.78 N ATOM 349 CA VAL A 24 -0.460 -14.575 -2.146 1.00 0.74 C ATOM 350 C VAL A 24 0.587 -15.684 -2.051 1.00 0.68 C ATOM 351 O VAL A 24 0.690 -16.363 -1.029 1.00 0.77 O ATOM 352 CB VAL A 24 0.067 -13.326 -1.419 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.349 -12.827 -2.070 1.00 1.32 C ATOM 354 CG2 VAL A 24 -0.991 -12.235 -1.401 1.00 1.30 C ATOM 0 H VAL A 24 -1.742 -15.154 -0.589 1.00 0.78 H new ATOM 0 HA VAL A 24 -0.632 -14.335 -3.195 1.00 0.74 H new ATOM 0 HB VAL A 24 0.295 -13.597 -0.388 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.705 -11.943 -1.541 1.00 1.32 H new ATOM 0 HG12 VAL A 24 2.108 -13.608 -2.024 1.00 1.32 H new ATOM 0 HG13 VAL A 24 1.153 -12.572 -3.111 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.601 -11.359 -0.883 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.253 -11.965 -2.424 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -1.879 -12.598 -0.883 1.00 1.30 H new ATOM 364 N PRO A 25 1.385 -15.877 -3.117 1.00 0.61 N ATOM 365 CA PRO A 25 2.430 -16.903 -3.144 1.00 0.63 C ATOM 366 C PRO A 25 3.653 -16.499 -2.328 1.00 0.57 C ATOM 367 O PRO A 25 4.115 -15.360 -2.406 1.00 0.52 O ATOM 368 CB PRO A 25 2.783 -17.000 -4.626 1.00 0.72 C ATOM 369 CG PRO A 25 2.504 -15.639 -5.165 1.00 0.71 C ATOM 370 CD PRO A 25 1.336 -15.109 -4.378 1.00 0.65 C ATOM 0 HA PRO A 25 2.096 -17.845 -2.708 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.828 -17.277 -4.768 1.00 0.72 H new ATOM 0 HB3 PRO A 25 2.181 -17.757 -5.129 1.00 0.72 H new ATOM 0 HG2 PRO A 25 3.374 -14.991 -5.056 1.00 0.71 H new ATOM 0 HG3 PRO A 25 2.270 -15.682 -6.229 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.428 -14.038 -4.198 1.00 0.65 H new ATOM 0 HD3 PRO A 25 0.395 -15.264 -4.905 1.00 0.65 H new ATOM 378 N ALA A 26 4.172 -17.436 -1.543 1.00 0.61 N ATOM 379 CA ALA A 26 5.340 -17.174 -0.711 1.00 0.60 C ATOM 380 C ALA A 26 6.609 -17.068 -1.552 1.00 0.54 C ATOM 381 O ALA A 26 6.771 -17.775 -2.546 1.00 0.58 O ATOM 382 CB ALA A 26 5.491 -18.263 0.341 1.00 0.71 C ATOM 0 H ALA A 26 3.803 -18.384 -1.465 1.00 0.61 H new ATOM 0 HA ALA A 26 5.190 -16.217 -0.212 1.00 0.60 H new ATOM 0 HB1 ALA A 26 6.367 -18.056 0.956 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.602 -18.286 0.971 1.00 0.71 H new ATOM 0 HB3 ALA A 26 5.612 -19.229 -0.150 1.00 0.71 H new ATOM 388 N ALA A 27 7.507 -16.177 -1.140 1.00 0.50 N ATOM 389 CA ALA A 27 8.767 -15.970 -1.844 1.00 0.48 C ATOM 390 C ALA A 27 8.557 -15.268 -3.187 1.00 0.43 C ATOM 391 O ALA A 27 9.446 -15.267 -4.038 1.00 0.46 O ATOM 392 CB ALA A 27 9.481 -17.297 -2.051 1.00 0.55 C ATOM 0 H ALA A 27 7.383 -15.585 -0.319 1.00 0.50 H new ATOM 0 HA ALA A 27 9.387 -15.322 -1.225 1.00 0.48 H new ATOM 0 HB1 ALA A 27 10.420 -17.127 -2.578 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.686 -17.755 -1.083 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.850 -17.962 -2.641 1.00 0.55 H new ATOM 398 N ASN A 28 7.385 -14.667 -3.371 1.00 0.39 N ATOM 399 CA ASN A 28 7.075 -13.959 -4.609 1.00 0.36 C ATOM 400 C ASN A 28 6.731 -12.503 -4.319 1.00 0.30 C ATOM 401 O ASN A 28 6.482 -12.136 -3.170 1.00 0.29 O ATOM 402 CB ASN A 28 5.914 -14.637 -5.338 1.00 0.40 C ATOM 403 CG ASN A 28 6.380 -15.506 -6.489 1.00 0.77 C ATOM 404 OD1 ASN A 28 7.555 -15.867 -6.574 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.461 -15.846 -7.385 1.00 1.36 N ATOM 0 H ASN A 28 6.635 -14.656 -2.680 1.00 0.39 H new ATOM 0 HA ASN A 28 7.956 -13.990 -5.250 1.00 0.36 H new ATOM 0 HB2 ASN A 28 5.352 -15.247 -4.631 1.00 0.40 H new ATOM 0 HB3 ASN A 28 5.232 -13.875 -5.715 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.717 -16.428 -8.182 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.499 -15.525 -7.276 1.00 1.36 H new ATOM 412 N THR A 29 6.719 -11.672 -5.358 1.00 0.30 N ATOM 413 CA THR A 29 6.405 -10.257 -5.189 1.00 0.28 C ATOM 414 C THR A 29 4.897 -10.038 -5.125 1.00 0.30 C ATOM 415 O THR A 29 4.128 -10.747 -5.773 1.00 0.33 O ATOM 416 CB THR A 29 7.004 -9.384 -6.311 1.00 0.32 C ATOM 417 OG1 THR A 29 6.064 -9.240 -7.385 1.00 0.96 O ATOM 418 CG2 THR A 29 8.299 -9.982 -6.845 1.00 0.92 C ATOM 0 H THR A 29 6.921 -11.951 -6.318 1.00 0.30 H new ATOM 0 HA THR A 29 6.858 -9.951 -4.246 1.00 0.28 H new ATOM 0 HB THR A 29 7.225 -8.405 -5.886 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.547 -9.130 -8.230 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.696 -9.344 -7.634 1.00 0.92 H new ATOM 0 HG22 THR A 29 9.027 -10.055 -6.037 1.00 0.92 H new ATOM 0 HG23 THR A 29 8.102 -10.976 -7.247 1.00 0.92 H new ATOM 426 N VAL A 30 4.477 -9.071 -4.315 1.00 0.33 N ATOM 427 CA VAL A 30 3.059 -8.783 -4.142 1.00 0.39 C ATOM 428 C VAL A 30 2.669 -7.398 -4.657 1.00 0.35 C ATOM 429 O VAL A 30 3.405 -6.425 -4.495 1.00 0.35 O ATOM 430 CB VAL A 30 2.661 -8.890 -2.662 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.160 -8.711 -2.497 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.115 -10.220 -2.082 1.00 0.57 C ATOM 0 H VAL A 30 5.099 -8.475 -3.769 1.00 0.33 H new ATOM 0 HA VAL A 30 2.525 -9.527 -4.733 1.00 0.39 H new ATOM 0 HB VAL A 30 3.160 -8.092 -2.112 1.00 0.47 H new ATOM 0 HG11 VAL A 30 0.898 -8.790 -1.442 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.867 -7.730 -2.871 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.637 -9.485 -3.060 1.00 0.56 H new ATOM 0 HG21 VAL A 30 2.824 -10.278 -1.033 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.648 -11.036 -2.633 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.199 -10.301 -2.163 1.00 0.57 H new ATOM 442 N LYS A 31 1.488 -7.331 -5.263 1.00 0.34 N ATOM 443 CA LYS A 31 0.961 -6.078 -5.797 1.00 0.33 C ATOM 444 C LYS A 31 0.041 -5.410 -4.775 1.00 0.33 C ATOM 445 O LYS A 31 -0.894 -6.031 -4.268 1.00 0.38 O ATOM 446 CB LYS A 31 0.223 -6.316 -7.121 1.00 0.38 C ATOM 447 CG LYS A 31 -1.193 -6.851 -6.962 1.00 0.60 C ATOM 448 CD LYS A 31 -2.224 -5.741 -7.076 1.00 0.82 C ATOM 449 CE LYS A 31 -3.382 -6.145 -7.975 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.044 -5.995 -9.417 1.00 1.98 N ATOM 0 H LYS A 31 0.874 -8.134 -5.397 1.00 0.34 H new ATOM 0 HA LYS A 31 1.799 -5.410 -5.996 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.184 -5.378 -7.675 1.00 0.38 H new ATOM 0 HB3 LYS A 31 0.799 -7.019 -7.723 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -1.385 -7.607 -7.723 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -1.291 -7.342 -5.994 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.602 -5.491 -6.085 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -1.751 -4.843 -7.472 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -3.655 -7.181 -7.772 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -4.254 -5.534 -7.741 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.859 -6.280 -9.996 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.808 -5.002 -9.617 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.228 -6.598 -9.647 1.00 1.98 H new ATOM 464 N PHE A 32 0.316 -4.146 -4.469 1.00 0.31 N ATOM 465 CA PHE A 32 -0.484 -3.402 -3.500 1.00 0.35 C ATOM 466 C PHE A 32 -1.291 -2.301 -4.185 1.00 0.32 C ATOM 467 O PHE A 32 -0.726 -1.422 -4.836 1.00 0.32 O ATOM 468 CB PHE A 32 0.431 -2.792 -2.434 1.00 0.44 C ATOM 469 CG PHE A 32 -0.151 -2.801 -1.049 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.461 -2.404 -0.835 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.607 -3.210 0.037 1.00 1.21 C ATOM 472 CE1 PHE A 32 -2.006 -2.414 0.435 1.00 2.28 C ATOM 473 CE2 PHE A 32 0.067 -3.222 1.309 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.217 -2.813 1.518 1.00 2.35 C ATOM 0 H PHE A 32 1.086 -3.615 -4.877 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.183 -4.093 -3.029 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.374 -3.338 -2.424 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.661 -1.764 -2.713 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.064 -2.083 -1.671 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.630 -3.522 -0.112 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -3.033 -2.116 0.590 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.666 -3.557 2.143 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.624 -2.797 2.518 1.00 2.35 H new ATOM 484 N ARG A 33 -2.612 -2.357 -4.042 1.00 0.36 N ATOM 485 CA ARG A 33 -3.479 -1.360 -4.663 1.00 0.39 C ATOM 486 C ARG A 33 -4.137 -0.459 -3.620 1.00 0.40 C ATOM 487 O ARG A 33 -4.764 -0.934 -2.673 1.00 0.43 O ATOM 488 CB ARG A 33 -4.554 -2.052 -5.507 1.00 0.47 C ATOM 489 CG ARG A 33 -3.987 -2.976 -6.571 1.00 0.80 C ATOM 490 CD ARG A 33 -2.916 -2.288 -7.402 1.00 0.53 C ATOM 491 NE ARG A 33 -3.472 -1.244 -8.257 1.00 1.09 N ATOM 492 CZ ARG A 33 -4.206 -1.491 -9.338 1.00 1.56 C ATOM 493 NH1 ARG A 33 -4.479 -2.742 -9.684 1.00 2.10 N ATOM 494 NH2 ARG A 33 -4.667 -0.488 -10.072 1.00 2.12 N ATOM 0 H ARG A 33 -3.102 -3.074 -3.507 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.859 -0.733 -5.304 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -5.207 -2.626 -4.850 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.172 -1.293 -5.988 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.566 -3.862 -6.096 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.791 -3.316 -7.224 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -2.167 -1.853 -6.740 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.405 -3.028 -8.019 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.287 -0.271 -8.012 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -4.126 -3.516 -9.121 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -5.042 -2.930 -10.513 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -4.459 0.475 -9.808 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -5.230 -0.679 -10.901 1.00 2.12 H new ATOM 508 N CYS A 34 -3.994 0.849 -3.819 1.00 0.39 N ATOM 509 CA CYS A 34 -4.575 1.842 -2.920 1.00 0.41 C ATOM 510 C CYS A 34 -4.736 3.182 -3.640 1.00 0.41 C ATOM 511 O CYS A 34 -4.299 4.220 -3.143 1.00 0.47 O ATOM 512 CB CYS A 34 -3.700 2.010 -1.672 1.00 0.44 C ATOM 513 SG CYS A 34 -4.626 2.393 -0.149 1.00 0.94 S ATOM 0 H CYS A 34 -3.476 1.248 -4.602 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.560 1.494 -2.609 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -3.131 1.093 -1.516 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.978 2.806 -1.854 1.00 0.44 H new ATOM 518 N PRO A 35 -5.352 3.172 -4.835 1.00 0.41 N ATOM 519 CA PRO A 35 -5.554 4.385 -5.640 1.00 0.44 C ATOM 520 C PRO A 35 -6.455 5.415 -4.963 1.00 0.34 C ATOM 521 O PRO A 35 -7.565 5.105 -4.532 1.00 0.34 O ATOM 522 CB PRO A 35 -6.213 3.864 -6.921 1.00 0.57 C ATOM 523 CG PRO A 35 -6.802 2.549 -6.544 1.00 0.54 C ATOM 524 CD PRO A 35 -5.886 1.974 -5.505 1.00 0.44 C ATOM 0 HA PRO A 35 -4.612 4.908 -5.805 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.979 4.552 -7.278 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.484 3.754 -7.724 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.811 2.671 -6.151 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.874 1.890 -7.409 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.420 1.327 -4.809 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.093 1.375 -5.953 1.00 0.44 H new ATOM 532 N ALA A 36 -5.965 6.647 -4.887 1.00 0.35 N ATOM 533 CA ALA A 36 -6.713 7.737 -4.275 1.00 0.33 C ATOM 534 C ALA A 36 -6.415 9.062 -4.973 1.00 0.32 C ATOM 535 O ALA A 36 -5.293 9.566 -4.912 1.00 0.38 O ATOM 536 CB ALA A 36 -6.390 7.834 -2.793 1.00 0.40 C ATOM 0 H ALA A 36 -5.048 6.916 -5.244 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.776 7.525 -4.388 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.957 8.653 -2.350 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.658 6.899 -2.300 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.324 8.019 -2.664 1.00 0.40 H new ATOM 542 N GLY A 37 -7.420 9.619 -5.637 1.00 0.33 N ATOM 543 CA GLY A 37 -7.242 10.878 -6.339 1.00 0.36 C ATOM 544 C GLY A 37 -7.248 12.071 -5.405 1.00 0.35 C ATOM 545 O GLY A 37 -8.117 12.185 -4.540 1.00 0.37 O ATOM 0 H GLY A 37 -8.357 9.222 -5.703 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.300 10.855 -6.887 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.036 10.994 -7.076 1.00 0.36 H new ATOM 549 N GLY A 38 -6.279 12.965 -5.579 1.00 0.36 N ATOM 550 CA GLY A 38 -6.200 14.143 -4.733 1.00 0.39 C ATOM 551 C GLY A 38 -5.062 15.066 -5.117 1.00 0.37 C ATOM 552 O GLY A 38 -4.883 15.391 -6.290 1.00 0.42 O ATOM 0 H GLY A 38 -5.549 12.895 -6.288 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.141 14.690 -4.791 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.075 13.832 -3.696 1.00 0.39 H new ATOM 556 N ASN A 39 -4.301 15.500 -4.118 1.00 0.40 N ATOM 557 CA ASN A 39 -3.177 16.404 -4.348 1.00 0.47 C ATOM 558 C ASN A 39 -2.035 15.704 -5.087 1.00 0.36 C ATOM 559 O ASN A 39 -1.958 14.476 -5.109 1.00 0.34 O ATOM 560 CB ASN A 39 -2.676 16.960 -3.006 1.00 0.70 C ATOM 561 CG ASN A 39 -1.704 16.028 -2.288 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.520 16.329 -2.165 1.00 2.41 O ATOM 563 ND2 ASN A 39 -2.204 14.897 -1.803 1.00 2.89 N ATOM 0 H ASN A 39 -4.441 15.241 -3.141 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.525 17.224 -4.976 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.188 17.919 -3.178 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.532 17.150 -2.358 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.598 14.243 -1.308 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -3.194 14.683 -1.926 1.00 2.89 H new ATOM 570 N PRO A 40 -1.110 16.485 -5.672 1.00 0.39 N ATOM 571 CA PRO A 40 0.045 15.937 -6.375 1.00 0.39 C ATOM 572 C PRO A 40 1.151 15.517 -5.403 1.00 0.34 C ATOM 573 O PRO A 40 2.160 14.939 -5.807 1.00 0.40 O ATOM 574 CB PRO A 40 0.503 17.105 -7.243 1.00 0.51 C ATOM 575 CG PRO A 40 0.132 18.320 -6.463 1.00 0.52 C ATOM 576 CD PRO A 40 -1.101 17.963 -5.669 1.00 0.53 C ATOM 0 HA PRO A 40 -0.194 15.038 -6.943 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.576 17.065 -7.428 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.011 17.093 -8.216 1.00 0.51 H new ATOM 0 HG2 PRO A 40 0.945 18.619 -5.802 1.00 0.52 H new ATOM 0 HG3 PRO A 40 -0.065 19.162 -7.127 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.052 18.360 -4.655 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -2.003 18.369 -6.127 1.00 0.53 H new ATOM 584 N MET A 41 0.947 15.810 -4.116 1.00 0.31 N ATOM 585 CA MET A 41 1.910 15.468 -3.075 1.00 0.33 C ATOM 586 C MET A 41 1.334 14.414 -2.124 1.00 0.32 C ATOM 587 O MET A 41 0.976 14.729 -0.989 1.00 0.36 O ATOM 588 CB MET A 41 2.263 16.726 -2.270 1.00 0.39 C ATOM 589 CG MET A 41 3.589 16.640 -1.536 1.00 0.47 C ATOM 590 SD MET A 41 4.947 17.392 -2.455 1.00 1.30 S ATOM 591 CE MET A 41 5.491 16.007 -3.452 1.00 1.83 C ATOM 0 H MET A 41 0.114 16.288 -3.771 1.00 0.31 H new ATOM 0 HA MET A 41 2.802 15.063 -3.553 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.289 17.581 -2.945 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.471 16.915 -1.546 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.496 17.132 -0.568 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.824 15.594 -1.341 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.509 16.185 -3.798 1.00 1.83 H new ATOM 0 HE2 MET A 41 5.465 15.096 -2.854 1.00 1.83 H new ATOM 0 HE3 MET A 41 4.830 15.896 -4.312 1.00 1.83 H new ATOM 601 N PRO A 42 1.233 13.148 -2.567 1.00 0.32 N ATOM 602 CA PRO A 42 0.696 12.065 -1.745 1.00 0.34 C ATOM 603 C PRO A 42 1.766 11.388 -0.892 1.00 0.35 C ATOM 604 O PRO A 42 2.762 10.888 -1.416 1.00 0.43 O ATOM 605 CB PRO A 42 0.183 11.093 -2.800 1.00 0.40 C ATOM 606 CG PRO A 42 1.163 11.225 -3.915 1.00 0.42 C ATOM 607 CD PRO A 42 1.615 12.667 -3.910 1.00 0.36 C ATOM 0 HA PRO A 42 -0.052 12.413 -1.033 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.146 10.072 -2.419 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.826 11.349 -3.122 1.00 0.40 H new ATOM 0 HG2 PRO A 42 2.008 10.552 -3.772 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.705 10.964 -4.869 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.689 12.751 -4.075 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.126 13.243 -4.696 1.00 0.36 H new ATOM 615 N THR A 43 1.549 11.357 0.418 1.00 0.32 N ATOM 616 CA THR A 43 2.490 10.721 1.330 1.00 0.35 C ATOM 617 C THR A 43 1.837 9.522 2.004 1.00 0.37 C ATOM 618 O THR A 43 1.024 9.679 2.911 1.00 0.48 O ATOM 619 CB THR A 43 2.984 11.703 2.410 1.00 0.41 C ATOM 620 OG1 THR A 43 2.878 13.049 1.933 1.00 0.94 O ATOM 621 CG2 THR A 43 4.424 11.407 2.791 1.00 1.00 C ATOM 0 H THR A 43 0.731 11.764 0.871 1.00 0.32 H new ATOM 0 HA THR A 43 3.348 10.395 0.742 1.00 0.35 H new ATOM 0 HB THR A 43 2.359 11.581 3.294 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.192 13.667 2.626 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.751 12.113 3.555 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.496 10.392 3.181 1.00 1.00 H new ATOM 0 HG23 THR A 43 5.060 11.504 1.911 1.00 1.00 H new ATOM 629 N MET A 44 2.178 8.322 1.545 1.00 0.35 N ATOM 630 CA MET A 44 1.591 7.106 2.098 1.00 0.41 C ATOM 631 C MET A 44 2.623 6.238 2.810 1.00 0.38 C ATOM 632 O MET A 44 3.783 6.161 2.406 1.00 0.40 O ATOM 633 CB MET A 44 0.908 6.293 0.992 1.00 0.49 C ATOM 634 CG MET A 44 1.551 6.448 -0.378 1.00 0.86 C ATOM 635 SD MET A 44 3.246 5.838 -0.423 1.00 1.82 S ATOM 636 CE MET A 44 3.862 6.658 -1.892 1.00 2.30 C ATOM 0 H MET A 44 2.853 8.166 0.797 1.00 0.35 H new ATOM 0 HA MET A 44 0.852 7.416 2.837 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.920 5.239 1.270 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.138 6.594 0.927 1.00 0.49 H new ATOM 0 HG2 MET A 44 0.956 5.911 -1.117 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.540 7.500 -0.663 1.00 0.86 H new ATOM 0 HE1 MET A 44 4.903 6.380 -2.054 1.00 2.30 H new ATOM 0 HE2 MET A 44 3.267 6.356 -2.754 1.00 2.30 H new ATOM 0 HE3 MET A 44 3.791 7.738 -1.763 1.00 2.30 H new ATOM 646 N ARG A 45 2.167 5.567 3.864 1.00 0.36 N ATOM 647 CA ARG A 45 3.007 4.670 4.646 1.00 0.34 C ATOM 648 C ARG A 45 2.523 3.238 4.465 1.00 0.32 C ATOM 649 O ARG A 45 1.338 3.006 4.227 1.00 0.34 O ATOM 650 CB ARG A 45 2.968 5.054 6.127 1.00 0.37 C ATOM 651 CG ARG A 45 3.300 6.515 6.384 1.00 0.66 C ATOM 652 CD ARG A 45 2.408 7.104 7.465 1.00 0.88 C ATOM 653 NE ARG A 45 2.943 6.869 8.803 1.00 1.57 N ATOM 654 CZ ARG A 45 2.236 7.036 9.917 1.00 2.04 C ATOM 655 NH1 ARG A 45 0.971 7.428 9.851 1.00 2.22 N ATOM 656 NH2 ARG A 45 2.794 6.809 11.098 1.00 2.89 N ATOM 0 H ARG A 45 1.205 5.631 4.198 1.00 0.36 H new ATOM 0 HA ARG A 45 4.036 4.753 4.297 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.975 4.840 6.524 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.672 4.428 6.675 1.00 0.37 H new ATOM 0 HG2 ARG A 45 4.344 6.605 6.683 1.00 0.66 H new ATOM 0 HG3 ARG A 45 3.182 7.084 5.462 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.299 8.176 7.301 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.412 6.668 7.391 1.00 0.88 H new ATOM 0 HE ARG A 45 3.911 6.560 8.888 1.00 1.57 H new ATOM 0 HH11 ARG A 45 0.538 7.602 8.944 1.00 2.22 H new ATOM 0 HH12 ARG A 45 0.431 7.555 10.707 1.00 2.22 H new ATOM 0 HH21 ARG A 45 3.766 6.506 11.153 1.00 2.89 H new ATOM 0 HH22 ARG A 45 2.251 6.937 11.952 1.00 2.89 H new ATOM 670 N TRP A 46 3.432 2.280 4.573 1.00 0.31 N ATOM 671 CA TRP A 46 3.062 0.878 4.409 1.00 0.31 C ATOM 672 C TRP A 46 2.968 0.178 5.758 1.00 0.26 C ATOM 673 O TRP A 46 3.947 0.100 6.502 1.00 0.29 O ATOM 674 CB TRP A 46 4.058 0.130 3.504 1.00 0.39 C ATOM 675 CG TRP A 46 5.032 1.013 2.775 1.00 0.70 C ATOM 676 CD1 TRP A 46 6.315 1.288 3.141 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.800 1.729 1.555 1.00 1.34 C ATOM 678 NE1 TRP A 46 6.898 2.131 2.228 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.989 2.416 1.245 1.00 1.46 C ATOM 680 CE3 TRP A 46 3.706 1.856 0.696 1.00 2.43 C ATOM 681 CZ2 TRP A 46 6.113 3.218 0.113 1.00 2.14 C ATOM 682 CZ3 TRP A 46 3.830 2.653 -0.428 1.00 3.28 C ATOM 683 CH2 TRP A 46 5.026 3.323 -0.710 1.00 3.02 C ATOM 0 H TRP A 46 4.419 2.442 4.771 1.00 0.31 H new ATOM 0 HA TRP A 46 2.083 0.860 3.930 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.618 -0.580 4.113 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.497 -0.451 2.772 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.803 0.899 4.022 1.00 1.52 H new ATOM 0 HE1 TRP A 46 7.853 2.487 2.274 1.00 1.62 H new ATOM 0 HE3 TRP A 46 2.780 1.341 0.905 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 7.034 3.738 -0.107 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 2.990 2.760 -1.099 1.00 3.28 H new ATOM 0 HH2 TRP A 46 5.092 3.936 -1.597 1.00 3.02 H new ATOM 694 N LEU A 47 1.784 -0.346 6.059 1.00 0.25 N ATOM 695 CA LEU A 47 1.554 -1.060 7.307 1.00 0.26 C ATOM 696 C LEU A 47 0.972 -2.435 7.011 1.00 0.24 C ATOM 697 O LEU A 47 -0.077 -2.553 6.377 1.00 0.31 O ATOM 698 CB LEU A 47 0.608 -0.271 8.214 1.00 0.37 C ATOM 699 CG LEU A 47 0.785 -0.526 9.712 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.844 0.401 10.289 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.538 -0.349 10.441 1.00 1.53 C ATOM 0 H LEU A 47 0.967 -0.288 5.452 1.00 0.25 H new ATOM 0 HA LEU A 47 2.506 -1.176 7.825 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.749 0.793 8.023 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.419 -0.511 7.939 1.00 0.37 H new ATOM 0 HG LEU A 47 1.118 -1.554 9.851 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.957 0.206 11.355 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.795 0.225 9.786 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.541 1.437 10.140 1.00 1.58 H new ATOM 0 HD21 LEU A 47 -0.394 -0.534 11.506 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.900 0.669 10.295 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -1.269 -1.055 10.045 1.00 1.53 H new ATOM 713 N LYS A 48 1.669 -3.472 7.450 1.00 0.22 N ATOM 714 CA LYS A 48 1.228 -4.841 7.205 1.00 0.25 C ATOM 715 C LYS A 48 1.153 -5.650 8.496 1.00 0.26 C ATOM 716 O LYS A 48 2.159 -5.857 9.171 1.00 0.31 O ATOM 717 CB LYS A 48 2.162 -5.534 6.205 1.00 0.34 C ATOM 718 CG LYS A 48 3.548 -4.907 6.102 1.00 0.41 C ATOM 719 CD LYS A 48 4.264 -5.360 4.843 1.00 0.88 C ATOM 720 CE LYS A 48 4.445 -6.869 4.817 1.00 0.73 C ATOM 721 NZ LYS A 48 3.960 -7.461 3.539 1.00 1.37 N ATOM 0 H LYS A 48 2.539 -3.395 7.976 1.00 0.22 H new ATOM 0 HA LYS A 48 0.224 -4.790 6.783 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.270 -6.580 6.491 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.695 -5.520 5.220 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.459 -3.821 6.102 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.139 -5.179 6.977 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.696 -5.046 3.967 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.238 -4.875 4.783 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.499 -7.111 4.953 1.00 0.73 H new ATOM 0 HE3 LYS A 48 3.905 -7.315 5.652 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 3.482 -8.364 3.734 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 3.291 -6.807 3.085 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 4.767 -7.626 2.905 1.00 1.37 H new ATOM 735 N ASN A 49 -0.047 -6.120 8.817 1.00 0.28 N ATOM 736 CA ASN A 49 -0.264 -6.925 10.017 1.00 0.35 C ATOM 737 C ASN A 49 0.393 -6.300 11.246 1.00 0.39 C ATOM 738 O ASN A 49 0.717 -7.000 12.206 1.00 0.50 O ATOM 739 CB ASN A 49 0.277 -8.341 9.805 1.00 0.38 C ATOM 740 CG ASN A 49 -0.400 -9.358 10.700 1.00 0.75 C ATOM 741 OD1 ASN A 49 0.261 -10.095 11.433 1.00 1.53 O ATOM 742 ND2 ASN A 49 -1.726 -9.403 10.649 1.00 1.32 N ATOM 0 H ASN A 49 -0.888 -5.958 8.262 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.338 -6.965 10.196 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.137 -8.628 8.763 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.350 -8.350 9.997 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -2.237 -10.067 11.232 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -2.234 -8.774 10.027 1.00 1.32 H new ATOM 749 N GLY A 50 0.582 -4.985 11.222 1.00 0.38 N ATOM 750 CA GLY A 50 1.194 -4.309 12.354 1.00 0.45 C ATOM 751 C GLY A 50 2.632 -3.896 12.094 1.00 0.48 C ATOM 752 O GLY A 50 3.224 -3.167 12.891 1.00 0.68 O ATOM 0 H GLY A 50 0.325 -4.377 10.444 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.607 -3.424 12.602 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.162 -4.966 13.223 1.00 0.45 H new ATOM 756 N LYS A 51 3.197 -4.354 10.979 1.00 0.36 N ATOM 757 CA LYS A 51 4.572 -4.021 10.628 1.00 0.39 C ATOM 758 C LYS A 51 4.613 -2.802 9.716 1.00 0.38 C ATOM 759 O LYS A 51 3.755 -2.631 8.851 1.00 0.39 O ATOM 760 CB LYS A 51 5.250 -5.209 9.934 1.00 0.42 C ATOM 761 CG LYS A 51 6.766 -5.082 9.833 1.00 0.53 C ATOM 762 CD LYS A 51 7.227 -4.981 8.382 1.00 0.75 C ATOM 763 CE LYS A 51 8.533 -5.734 8.141 1.00 0.82 C ATOM 764 NZ LYS A 51 9.410 -5.739 9.348 1.00 1.36 N ATOM 0 H LYS A 51 2.723 -4.956 10.305 1.00 0.36 H new ATOM 0 HA LYS A 51 5.110 -3.791 11.548 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.007 -6.122 10.478 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.836 -5.316 8.931 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.095 -4.200 10.382 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.236 -5.945 10.305 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.452 -5.381 7.727 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.359 -3.932 8.116 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.310 -6.761 7.851 1.00 0.82 H new ATOM 0 HE3 LYS A 51 9.066 -5.276 7.308 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.404 -5.827 9.055 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.282 -4.851 9.874 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.157 -6.542 9.958 1.00 1.36 H new ATOM 778 N GLU A 52 5.639 -1.981 9.891 1.00 0.38 N ATOM 779 CA GLU A 52 5.823 -0.800 9.059 1.00 0.39 C ATOM 780 C GLU A 52 7.043 -0.985 8.173 1.00 0.43 C ATOM 781 O GLU A 52 7.987 -1.681 8.548 1.00 0.49 O ATOM 782 CB GLU A 52 5.966 0.463 9.912 1.00 0.44 C ATOM 783 CG GLU A 52 6.906 0.298 11.096 1.00 1.03 C ATOM 784 CD GLU A 52 7.067 1.576 11.895 1.00 1.38 C ATOM 785 OE1 GLU A 52 7.231 2.649 11.275 1.00 1.71 O ATOM 786 OE2 GLU A 52 7.030 1.507 13.142 1.00 1.90 O ATOM 0 H GLU A 52 6.358 -2.111 10.603 1.00 0.38 H new ATOM 0 HA GLU A 52 4.939 -0.676 8.433 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.328 1.276 9.283 1.00 0.44 H new ATOM 0 HB3 GLU A 52 4.982 0.756 10.279 1.00 0.44 H new ATOM 0 HG2 GLU A 52 6.528 -0.489 11.749 1.00 1.03 H new ATOM 0 HG3 GLU A 52 7.883 -0.027 10.737 1.00 1.03 H new ATOM 793 N PHE A 53 7.027 -0.380 6.995 1.00 0.43 N ATOM 794 CA PHE A 53 8.146 -0.513 6.078 1.00 0.50 C ATOM 795 C PHE A 53 8.777 0.841 5.754 1.00 0.56 C ATOM 796 O PHE A 53 8.082 1.823 5.494 1.00 0.70 O ATOM 797 CB PHE A 53 7.693 -1.220 4.797 1.00 0.57 C ATOM 798 CG PHE A 53 8.088 -2.668 4.734 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.331 -3.079 5.188 1.00 1.99 C ATOM 800 CD2 PHE A 53 7.221 -3.615 4.220 1.00 2.42 C ATOM 801 CE1 PHE A 53 9.699 -4.410 5.131 1.00 3.14 C ATOM 802 CE2 PHE A 53 7.583 -4.948 4.161 1.00 3.55 C ATOM 803 CZ PHE A 53 8.814 -5.348 4.622 1.00 3.85 C ATOM 0 H PHE A 53 6.261 0.201 6.655 1.00 0.43 H new ATOM 0 HA PHE A 53 8.911 -1.117 6.566 1.00 0.50 H new ATOM 0 HB2 PHE A 53 6.609 -1.145 4.715 1.00 0.57 H new ATOM 0 HB3 PHE A 53 8.115 -0.700 3.937 1.00 0.57 H new ATOM 0 HD1 PHE A 53 10.020 -2.351 5.591 1.00 1.99 H new ATOM 0 HD2 PHE A 53 6.250 -3.310 3.860 1.00 2.42 H new ATOM 0 HE1 PHE A 53 10.673 -4.718 5.482 1.00 3.14 H new ATOM 0 HE2 PHE A 53 6.898 -5.676 3.752 1.00 3.55 H new ATOM 0 HZ PHE A 53 9.092 -6.391 4.588 1.00 3.85 H new ATOM 813 N LYS A 54 10.105 0.876 5.775 1.00 0.64 N ATOM 814 CA LYS A 54 10.862 2.092 5.484 1.00 0.77 C ATOM 815 C LYS A 54 12.362 1.776 5.463 1.00 1.29 C ATOM 816 O LYS A 54 12.855 1.182 4.498 1.00 1.12 O ATOM 817 CB LYS A 54 10.535 3.189 6.505 1.00 0.86 C ATOM 818 CG LYS A 54 11.306 4.479 6.278 1.00 1.43 C ATOM 819 CD LYS A 54 10.852 5.576 7.229 1.00 1.82 C ATOM 820 CE LYS A 54 10.959 6.950 6.588 1.00 2.44 C ATOM 821 NZ LYS A 54 12.310 7.547 6.777 1.00 3.19 N ATOM 0 H LYS A 54 10.687 0.067 5.993 1.00 0.64 H new ATOM 0 HA LYS A 54 10.576 2.465 4.501 1.00 0.77 H new ATOM 0 HB2 LYS A 54 9.467 3.402 6.467 1.00 0.86 H new ATOM 0 HB3 LYS A 54 10.751 2.818 7.507 1.00 0.86 H new ATOM 0 HG2 LYS A 54 12.372 4.296 6.415 1.00 1.43 H new ATOM 0 HG3 LYS A 54 11.169 4.809 5.248 1.00 1.43 H new ATOM 0 HD2 LYS A 54 9.820 5.394 7.530 1.00 1.82 H new ATOM 0 HD3 LYS A 54 11.458 5.548 8.134 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.743 6.871 5.523 1.00 2.44 H new ATOM 0 HE3 LYS A 54 10.207 7.611 7.018 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 12.342 8.483 6.326 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 12.507 7.646 7.793 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 13.026 6.929 6.344 1.00 3.19 H new ATOM 835 N GLN A 55 13.095 2.121 6.530 1.00 2.12 N ATOM 836 CA GLN A 55 14.515 1.807 6.569 1.00 2.84 C ATOM 837 C GLN A 55 14.690 0.304 6.400 1.00 2.74 C ATOM 838 O GLN A 55 15.709 -0.167 5.894 1.00 3.04 O ATOM 839 CB GLN A 55 15.136 2.265 7.890 1.00 3.80 C ATOM 840 CG GLN A 55 15.610 3.708 7.875 1.00 4.05 C ATOM 841 CD GLN A 55 16.169 4.148 9.215 1.00 4.76 C ATOM 842 OE1 GLN A 55 15.457 4.725 10.037 1.00 5.13 O ATOM 843 NE2 GLN A 55 17.449 3.875 9.440 1.00 5.27 N ATOM 0 H GLN A 55 12.734 2.604 7.353 1.00 2.12 H new ATOM 0 HA GLN A 55 15.022 2.333 5.760 1.00 2.84 H new ATOM 0 HB2 GLN A 55 14.404 2.141 8.688 1.00 3.80 H new ATOM 0 HB3 GLN A 55 15.980 1.617 8.128 1.00 3.80 H new ATOM 0 HG2 GLN A 55 16.375 3.828 7.108 1.00 4.05 H new ATOM 0 HG3 GLN A 55 14.779 4.358 7.600 1.00 4.05 H new ATOM 0 HE21 GLN A 55 18.001 3.395 8.729 1.00 5.27 H new ATOM 0 HE22 GLN A 55 17.880 4.146 10.324 1.00 5.27 H new ATOM 852 N GLU A 56 13.651 -0.439 6.781 1.00 2.55 N ATOM 853 CA GLU A 56 13.640 -1.878 6.629 1.00 2.90 C ATOM 854 C GLU A 56 12.948 -2.225 5.318 1.00 2.31 C ATOM 855 O GLU A 56 12.029 -3.041 5.283 1.00 2.87 O ATOM 856 CB GLU A 56 12.918 -2.542 7.806 1.00 3.47 C ATOM 857 CG GLU A 56 13.860 -3.117 8.851 1.00 4.30 C ATOM 858 CD GLU A 56 14.345 -2.073 9.837 1.00 5.06 C ATOM 859 OE1 GLU A 56 14.352 -0.876 9.480 1.00 5.47 O ATOM 860 OE2 GLU A 56 14.716 -2.452 10.969 1.00 5.55 O ATOM 0 H GLU A 56 12.803 -0.056 7.200 1.00 2.55 H new ATOM 0 HA GLU A 56 14.665 -2.250 6.615 1.00 2.90 H new ATOM 0 HB2 GLU A 56 12.265 -1.810 8.281 1.00 3.47 H new ATOM 0 HB3 GLU A 56 12.279 -3.340 7.426 1.00 3.47 H new ATOM 0 HG2 GLU A 56 13.352 -3.915 9.393 1.00 4.30 H new ATOM 0 HG3 GLU A 56 14.719 -3.567 8.352 1.00 4.30 H new ATOM 867 N HIS A 57 13.389 -1.576 4.242 1.00 1.41 N ATOM 868 CA HIS A 57 12.803 -1.775 2.916 1.00 1.04 C ATOM 869 C HIS A 57 12.511 -3.250 2.651 1.00 0.97 C ATOM 870 O HIS A 57 13.029 -4.130 3.338 1.00 1.34 O ATOM 871 CB HIS A 57 13.742 -1.230 1.838 1.00 1.30 C ATOM 872 CG HIS A 57 14.132 0.200 2.047 1.00 1.65 C ATOM 873 ND1 HIS A 57 15.192 0.583 2.843 1.00 2.34 N ATOM 874 CD2 HIS A 57 13.599 1.345 1.556 1.00 2.26 C ATOM 875 CE1 HIS A 57 15.293 1.901 2.835 1.00 2.86 C ATOM 876 NE2 HIS A 57 14.341 2.386 2.060 1.00 2.77 N ATOM 0 H HIS A 57 14.155 -0.903 4.262 1.00 1.41 H new ATOM 0 HA HIS A 57 11.859 -1.231 2.884 1.00 1.04 H new ATOM 0 HB2 HIS A 57 14.643 -1.843 1.810 1.00 1.30 H new ATOM 0 HB3 HIS A 57 13.260 -1.327 0.865 1.00 1.30 H new ATOM 0 HD2 HIS A 57 12.750 1.424 0.893 1.00 2.26 H new ATOM 0 HE1 HIS A 57 16.029 2.482 3.371 1.00 2.86 H new ATOM 0 HE2 HIS A 57 14.182 3.375 1.866 1.00 2.77 H new ATOM 885 N ARG A 58 11.639 -3.505 1.682 1.00 1.00 N ATOM 886 CA ARG A 58 11.234 -4.867 1.360 1.00 0.92 C ATOM 887 C ARG A 58 12.301 -5.581 0.549 1.00 0.69 C ATOM 888 O ARG A 58 12.936 -4.998 -0.330 1.00 0.78 O ATOM 889 CB ARG A 58 9.922 -4.854 0.572 1.00 1.23 C ATOM 890 CG ARG A 58 8.747 -4.281 1.343 1.00 1.36 C ATOM 891 CD ARG A 58 7.523 -5.178 1.237 1.00 1.75 C ATOM 892 NE ARG A 58 6.282 -4.446 1.476 1.00 2.44 N ATOM 893 CZ ARG A 58 5.075 -4.960 1.265 1.00 3.22 C ATOM 894 NH1 ARG A 58 4.946 -6.201 0.818 1.00 3.53 N ATOM 895 NH2 ARG A 58 3.991 -4.231 1.500 1.00 3.98 N ATOM 0 H ARG A 58 11.200 -2.787 1.107 1.00 1.00 H new ATOM 0 HA ARG A 58 11.094 -5.403 2.299 1.00 0.92 H new ATOM 0 HB2 ARG A 58 10.063 -4.274 -0.340 1.00 1.23 H new ATOM 0 HB3 ARG A 58 9.682 -5.873 0.268 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.022 -4.160 2.391 1.00 1.36 H new ATOM 0 HG3 ARG A 58 8.507 -3.289 0.960 1.00 1.36 H new ATOM 0 HD2 ARG A 58 7.491 -5.631 0.246 1.00 1.75 H new ATOM 0 HD3 ARG A 58 7.607 -5.992 1.957 1.00 1.75 H new ATOM 0 HE ARG A 58 6.345 -3.489 1.823 1.00 2.44 H new ATOM 0 HH11 ARG A 58 5.775 -6.766 0.635 1.00 3.53 H new ATOM 0 HH12 ARG A 58 4.017 -6.591 0.658 1.00 3.53 H new ATOM 0 HH21 ARG A 58 4.084 -3.275 1.843 1.00 3.98 H new ATOM 0 HH22 ARG A 58 3.065 -4.627 1.338 1.00 3.98 H new ATOM 909 N ILE A 59 12.487 -6.858 0.861 1.00 0.67 N ATOM 910 CA ILE A 59 13.473 -7.682 0.185 1.00 0.66 C ATOM 911 C ILE A 59 13.077 -7.938 -1.258 1.00 0.59 C ATOM 912 O ILE A 59 12.115 -8.652 -1.527 1.00 0.57 O ATOM 913 CB ILE A 59 13.650 -9.038 0.897 1.00 0.95 C ATOM 914 CG1 ILE A 59 13.794 -8.847 2.410 1.00 1.05 C ATOM 915 CG2 ILE A 59 14.859 -9.774 0.336 1.00 1.16 C ATOM 916 CD1 ILE A 59 15.008 -8.036 2.805 1.00 1.64 C ATOM 0 H ILE A 59 11.961 -7.346 1.586 1.00 0.67 H new ATOM 0 HA ILE A 59 14.415 -7.134 0.211 1.00 0.66 H new ATOM 0 HB ILE A 59 12.759 -9.638 0.715 1.00 0.95 H new ATOM 0 HG12 ILE A 59 12.899 -8.356 2.793 1.00 1.05 H new ATOM 0 HG13 ILE A 59 13.850 -9.825 2.888 1.00 1.05 H new ATOM 0 HG21 ILE A 59 14.973 -10.730 0.847 1.00 1.16 H new ATOM 0 HG22 ILE A 59 14.716 -9.948 -0.731 1.00 1.16 H new ATOM 0 HG23 ILE A 59 15.755 -9.172 0.489 1.00 1.16 H new ATOM 0 HD11 ILE A 59 15.045 -7.942 3.890 1.00 1.64 H new ATOM 0 HD12 ILE A 59 15.910 -8.536 2.453 1.00 1.64 H new ATOM 0 HD13 ILE A 59 14.945 -7.044 2.357 1.00 1.64 H new ATOM 928 N GLY A 60 13.828 -7.361 -2.185 1.00 0.70 N ATOM 929 CA GLY A 60 13.533 -7.554 -3.587 1.00 0.77 C ATOM 930 C GLY A 60 13.310 -6.255 -4.331 1.00 0.74 C ATOM 931 O GLY A 60 13.526 -6.191 -5.542 1.00 0.79 O ATOM 0 H GLY A 60 14.633 -6.765 -1.991 1.00 0.70 H new ATOM 0 HA2 GLY A 60 14.355 -8.097 -4.054 1.00 0.77 H new ATOM 0 HA3 GLY A 60 12.644 -8.178 -3.683 1.00 0.77 H new ATOM 935 N GLY A 61 12.869 -5.215 -3.627 1.00 0.70 N ATOM 936 CA GLY A 61 12.623 -3.942 -4.278 1.00 0.72 C ATOM 937 C GLY A 61 11.179 -3.496 -4.139 1.00 0.74 C ATOM 938 O GLY A 61 10.294 -4.314 -3.886 1.00 1.20 O ATOM 0 H GLY A 61 12.679 -5.232 -2.625 1.00 0.70 H new ATOM 0 HA2 GLY A 61 13.278 -3.184 -3.849 1.00 0.72 H new ATOM 0 HA3 GLY A 61 12.877 -4.022 -5.335 1.00 0.72 H new ATOM 942 N TYR A 62 10.938 -2.199 -4.302 1.00 0.69 N ATOM 943 CA TYR A 62 9.589 -1.656 -4.187 1.00 0.84 C ATOM 944 C TYR A 62 9.314 -0.630 -5.281 1.00 0.73 C ATOM 945 O TYR A 62 9.988 0.397 -5.369 1.00 0.97 O ATOM 946 CB TYR A 62 9.387 -1.017 -2.812 1.00 1.36 C ATOM 947 CG TYR A 62 10.289 0.169 -2.553 1.00 1.92 C ATOM 948 CD1 TYR A 62 11.651 -0.002 -2.346 1.00 2.32 C ATOM 949 CD2 TYR A 62 9.778 1.460 -2.512 1.00 2.43 C ATOM 950 CE1 TYR A 62 12.480 1.078 -2.108 1.00 3.05 C ATOM 951 CE2 TYR A 62 10.598 2.546 -2.274 1.00 3.07 C ATOM 952 CZ TYR A 62 11.946 2.350 -2.073 1.00 3.35 C ATOM 953 OH TYR A 62 12.768 3.429 -1.835 1.00 4.10 O ATOM 0 H TYR A 62 11.656 -1.507 -4.513 1.00 0.69 H new ATOM 0 HA TYR A 62 8.886 -2.481 -4.305 1.00 0.84 H new ATOM 0 HB2 TYR A 62 8.349 -0.699 -2.718 1.00 1.36 H new ATOM 0 HB3 TYR A 62 9.561 -1.769 -2.043 1.00 1.36 H new ATOM 0 HD1 TYR A 62 12.070 -0.997 -2.371 1.00 2.32 H new ATOM 0 HD2 TYR A 62 8.721 1.618 -2.669 1.00 2.43 H new ATOM 0 HE1 TYR A 62 13.538 0.928 -1.951 1.00 3.05 H new ATOM 0 HE2 TYR A 62 10.184 3.543 -2.246 1.00 3.07 H new ATOM 0 HH TYR A 62 12.237 4.253 -1.844 1.00 4.10 H new ATOM 963 N LYS A 63 8.317 -0.912 -6.114 1.00 0.66 N ATOM 964 CA LYS A 63 7.950 -0.012 -7.203 1.00 0.78 C ATOM 965 C LYS A 63 6.525 0.499 -7.027 1.00 0.67 C ATOM 966 O LYS A 63 5.671 -0.184 -6.463 1.00 0.54 O ATOM 967 CB LYS A 63 8.085 -0.707 -8.564 1.00 1.11 C ATOM 968 CG LYS A 63 9.055 -1.881 -8.576 1.00 1.28 C ATOM 969 CD LYS A 63 10.466 -1.449 -8.213 1.00 1.83 C ATOM 970 CE LYS A 63 11.508 -2.246 -8.980 1.00 2.36 C ATOM 971 NZ LYS A 63 12.782 -2.373 -8.219 1.00 3.18 N ATOM 0 H LYS A 63 7.748 -1.757 -6.056 1.00 0.66 H new ATOM 0 HA LYS A 63 8.636 0.834 -7.173 1.00 0.78 H new ATOM 0 HB2 LYS A 63 7.102 -1.060 -8.877 1.00 1.11 H new ATOM 0 HB3 LYS A 63 8.411 0.026 -9.302 1.00 1.11 H new ATOM 0 HG2 LYS A 63 8.715 -2.641 -7.873 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.058 -2.340 -9.565 1.00 1.28 H new ATOM 0 HD2 LYS A 63 10.589 -0.387 -8.427 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.623 -1.579 -7.142 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.116 -3.239 -9.200 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.703 -1.762 -9.937 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 13.466 -2.923 -8.777 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 13.170 -1.427 -8.031 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 12.601 -2.858 -7.317 1.00 3.18 H new ATOM 985 N VAL A 64 6.280 1.702 -7.527 1.00 0.81 N ATOM 986 CA VAL A 64 4.958 2.313 -7.442 1.00 0.77 C ATOM 987 C VAL A 64 4.589 2.994 -8.755 1.00 0.82 C ATOM 988 O VAL A 64 5.413 3.678 -9.362 1.00 0.89 O ATOM 989 CB VAL A 64 4.882 3.347 -6.304 1.00 0.85 C ATOM 990 CG1 VAL A 64 5.931 4.431 -6.493 1.00 1.49 C ATOM 991 CG2 VAL A 64 3.487 3.951 -6.224 1.00 1.71 C ATOM 0 H VAL A 64 6.980 2.276 -7.997 1.00 0.81 H new ATOM 0 HA VAL A 64 4.252 1.509 -7.235 1.00 0.77 H new ATOM 0 HB VAL A 64 5.088 2.838 -5.362 1.00 0.85 H new ATOM 0 HG11 VAL A 64 5.860 5.152 -5.678 1.00 1.49 H new ATOM 0 HG12 VAL A 64 6.924 3.981 -6.494 1.00 1.49 H new ATOM 0 HG13 VAL A 64 5.762 4.939 -7.442 1.00 1.49 H new ATOM 0 HG21 VAL A 64 3.452 4.680 -5.414 1.00 1.71 H new ATOM 0 HG22 VAL A 64 3.250 4.444 -7.166 1.00 1.71 H new ATOM 0 HG23 VAL A 64 2.759 3.162 -6.034 1.00 1.71 H new ATOM 1001 N ARG A 65 3.350 2.800 -9.194 1.00 0.82 N ATOM 1002 CA ARG A 65 2.884 3.395 -10.440 1.00 0.92 C ATOM 1003 C ARG A 65 2.745 4.906 -10.305 1.00 1.03 C ATOM 1004 O ARG A 65 1.899 5.391 -9.556 1.00 1.18 O ATOM 1005 CB ARG A 65 1.542 2.787 -10.842 1.00 0.96 C ATOM 1006 CG ARG A 65 1.296 2.790 -12.342 1.00 1.51 C ATOM 1007 CD ARG A 65 2.377 2.021 -13.087 1.00 2.02 C ATOM 1008 NE ARG A 65 3.335 2.914 -13.733 1.00 2.60 N ATOM 1009 CZ ARG A 65 4.363 2.490 -14.457 1.00 3.22 C ATOM 1010 NH1 ARG A 65 4.568 1.191 -14.629 1.00 3.52 N ATOM 1011 NH2 ARG A 65 5.189 3.366 -15.014 1.00 3.99 N ATOM 0 H ARG A 65 2.653 2.237 -8.707 1.00 0.82 H new ATOM 0 HA ARG A 65 3.623 3.184 -11.213 1.00 0.92 H new ATOM 0 HB2 ARG A 65 1.494 1.761 -10.477 1.00 0.96 H new ATOM 0 HB3 ARG A 65 0.741 3.339 -10.350 1.00 0.96 H new ATOM 0 HG2 ARG A 65 0.323 2.347 -12.553 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.264 3.818 -12.704 1.00 1.51 H new ATOM 0 HD2 ARG A 65 2.903 1.368 -12.391 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.915 1.381 -13.838 1.00 2.02 H new ATOM 0 HE ARG A 65 3.207 3.920 -13.621 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.934 0.514 -14.204 1.00 3.52 H new ATOM 0 HH12 ARG A 65 5.359 0.869 -15.186 1.00 3.52 H new ATOM 0 HH21 ARG A 65 5.034 4.366 -14.886 1.00 3.99 H new ATOM 0 HH22 ARG A 65 5.979 3.040 -15.570 1.00 3.99 H new ATOM 1025 N ASN A 66 3.572 5.641 -11.046 1.00 1.03 N ATOM 1026 CA ASN A 66 3.542 7.102 -11.020 1.00 1.16 C ATOM 1027 C ASN A 66 3.889 7.635 -9.632 1.00 1.03 C ATOM 1028 O ASN A 66 4.974 8.175 -9.413 1.00 1.79 O ATOM 1029 CB ASN A 66 2.165 7.614 -11.446 1.00 1.96 C ATOM 1030 CG ASN A 66 2.251 8.700 -12.498 1.00 2.83 C ATOM 1031 OD1 ASN A 66 2.758 8.478 -13.598 1.00 3.41 O ATOM 1032 ND2 ASN A 66 1.758 9.888 -12.165 1.00 3.48 N ATOM 0 H ASN A 66 4.273 5.247 -11.674 1.00 1.03 H new ATOM 0 HA ASN A 66 4.291 7.465 -11.724 1.00 1.16 H new ATOM 0 HB2 ASN A 66 1.576 6.783 -11.833 1.00 1.96 H new ATOM 0 HB3 ASN A 66 1.638 7.999 -10.573 1.00 1.96 H new ATOM 0 HD21 ASN A 66 1.791 10.659 -12.832 1.00 3.48 H new ATOM 0 HD22 ASN A 66 1.346 10.029 -11.242 1.00 3.48 H new ATOM 1039 N GLN A 67 2.957 7.478 -8.700 1.00 1.15 N ATOM 1040 CA GLN A 67 3.151 7.935 -7.329 1.00 1.99 C ATOM 1041 C GLN A 67 1.960 7.552 -6.455 1.00 1.73 C ATOM 1042 O GLN A 67 2.123 7.224 -5.279 1.00 2.55 O ATOM 1043 CB GLN A 67 3.355 9.451 -7.296 1.00 2.86 C ATOM 1044 CG GLN A 67 4.607 9.879 -6.546 1.00 3.88 C ATOM 1045 CD GLN A 67 5.396 10.940 -7.288 1.00 4.69 C ATOM 1046 OE1 GLN A 67 5.722 10.778 -8.464 1.00 5.12 O ATOM 1047 NE2 GLN A 67 5.709 12.032 -6.601 1.00 5.31 N ATOM 0 H GLN A 67 2.054 7.035 -8.870 1.00 1.15 H new ATOM 0 HA GLN A 67 4.042 7.448 -6.934 1.00 1.99 H new ATOM 0 HB2 GLN A 67 3.408 9.825 -8.319 1.00 2.86 H new ATOM 0 HB3 GLN A 67 2.486 9.916 -6.831 1.00 2.86 H new ATOM 0 HG2 GLN A 67 4.326 10.260 -5.564 1.00 3.88 H new ATOM 0 HG3 GLN A 67 5.242 9.009 -6.380 1.00 3.88 H new ATOM 0 HE21 GLN A 67 5.418 12.123 -5.628 1.00 5.31 H new ATOM 0 HE22 GLN A 67 6.241 12.780 -7.046 1.00 5.31 H new ATOM 1056 N HIS A 68 0.763 7.598 -7.033 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.453 7.256 -6.303 1.00 0.62 C ATOM 1058 C HIS A 68 -1.364 6.366 -7.142 1.00 0.68 C ATOM 1059 O HIS A 68 -2.192 6.855 -7.910 1.00 1.37 O ATOM 1060 CB HIS A 68 -1.200 8.530 -5.885 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.079 9.652 -6.871 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.021 9.453 -8.235 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.008 10.991 -6.685 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -0.917 10.621 -8.845 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -0.908 11.568 -7.926 1.00 2.83 N ATOM 0 H HIS A 68 0.610 7.869 -8.004 1.00 0.89 H new ATOM 0 HA HIS A 68 -0.165 6.703 -5.409 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -2.255 8.293 -5.746 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.819 8.864 -4.920 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -1.053 8.546 -8.700 1.00 2.23 H new ATOM 0 HD2 HIS A 68 -1.027 11.508 -5.737 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -0.851 10.774 -9.912 1.00 2.85 H new ATOM 1074 N TRP A 69 -1.206 5.054 -6.984 1.00 0.51 N ATOM 1075 CA TRP A 69 -2.013 4.088 -7.722 1.00 0.45 C ATOM 1076 C TRP A 69 -1.782 2.676 -7.191 1.00 0.37 C ATOM 1077 O TRP A 69 -2.546 2.182 -6.363 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.681 4.148 -9.215 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.594 5.047 -9.990 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.957 5.085 -9.923 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.210 6.039 -10.948 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.445 6.039 -10.783 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.393 6.638 -11.424 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -0.983 6.478 -11.452 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.382 7.655 -12.376 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -0.974 7.487 -12.398 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.165 8.065 -12.851 1.00 3.14 C ATOM 0 H TRP A 69 -0.525 4.636 -6.350 1.00 0.51 H new ATOM 0 HA TRP A 69 -3.064 4.343 -7.583 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.654 4.492 -9.338 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.733 3.142 -9.632 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.563 4.457 -9.287 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.430 6.264 -10.922 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.058 6.037 -11.109 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.300 8.104 -12.727 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.031 7.835 -12.794 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.124 8.851 -13.591 1.00 3.14 H new ATOM 1098 N SER A 70 -0.718 2.036 -7.666 1.00 0.35 N ATOM 1099 CA SER A 70 -0.379 0.684 -7.229 1.00 0.33 C ATOM 1100 C SER A 70 1.050 0.637 -6.706 1.00 0.36 C ATOM 1101 O SER A 70 1.874 1.488 -7.043 1.00 0.39 O ATOM 1102 CB SER A 70 -0.548 -0.316 -8.376 1.00 0.40 C ATOM 1103 OG SER A 70 0.440 -0.119 -9.373 1.00 1.02 O ATOM 0 H SER A 70 -0.076 2.431 -8.353 1.00 0.35 H new ATOM 0 HA SER A 70 -1.060 0.408 -6.424 1.00 0.33 H new ATOM 0 HB2 SER A 70 -0.481 -1.333 -7.989 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.540 -0.206 -8.815 1.00 0.40 H new ATOM 0 HG SER A 70 0.312 -0.771 -10.094 1.00 1.02 H new ATOM 1109 N LEU A 71 1.339 -0.360 -5.878 1.00 0.38 N ATOM 1110 CA LEU A 71 2.672 -0.513 -5.306 1.00 0.44 C ATOM 1111 C LEU A 71 3.087 -1.980 -5.289 1.00 0.44 C ATOM 1112 O LEU A 71 2.467 -2.802 -4.614 1.00 0.52 O ATOM 1113 CB LEU A 71 2.727 0.060 -3.881 1.00 0.51 C ATOM 1114 CG LEU A 71 1.385 0.509 -3.292 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.387 0.355 -1.779 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.088 1.950 -3.679 1.00 0.80 C ATOM 0 H LEU A 71 0.670 -1.073 -5.588 1.00 0.38 H new ATOM 0 HA LEU A 71 3.368 0.044 -5.934 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.158 -0.694 -3.222 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.407 0.912 -3.878 1.00 0.51 H new ATOM 0 HG LEU A 71 0.601 -0.127 -3.702 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.426 0.679 -1.379 1.00 0.98 H new ATOM 0 HD12 LEU A 71 1.554 -0.690 -1.520 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.182 0.966 -1.352 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.131 2.252 -3.252 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.876 2.599 -3.298 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.043 2.033 -4.765 1.00 0.80 H new ATOM 1128 N ILE A 72 4.138 -2.302 -6.035 1.00 0.39 N ATOM 1129 CA ILE A 72 4.631 -3.671 -6.099 1.00 0.39 C ATOM 1130 C ILE A 72 5.800 -3.877 -5.143 1.00 0.36 C ATOM 1131 O ILE A 72 6.875 -3.307 -5.328 1.00 0.38 O ATOM 1132 CB ILE A 72 5.075 -4.049 -7.525 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.498 -5.518 -7.580 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.211 -3.147 -7.983 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.990 -5.956 -8.943 1.00 1.12 C ATOM 0 H ILE A 72 4.663 -1.636 -6.602 1.00 0.39 H new ATOM 0 HA ILE A 72 3.804 -4.317 -5.805 1.00 0.39 H new ATOM 0 HB ILE A 72 4.231 -3.909 -8.201 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.286 -5.688 -6.846 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.653 -6.142 -7.290 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.513 -3.427 -8.992 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.876 -2.110 -7.979 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.059 -3.257 -7.307 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.273 -7.008 -8.907 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.197 -5.818 -9.678 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.856 -5.357 -9.227 1.00 1.12 H new ATOM 1147 N MET A 73 5.584 -4.697 -4.121 1.00 0.36 N ATOM 1148 CA MET A 73 6.620 -4.979 -3.133 1.00 0.36 C ATOM 1149 C MET A 73 6.955 -6.466 -3.112 1.00 0.33 C ATOM 1150 O MET A 73 6.101 -7.308 -3.391 1.00 0.43 O ATOM 1151 CB MET A 73 6.174 -4.528 -1.737 1.00 0.43 C ATOM 1152 CG MET A 73 5.215 -3.347 -1.748 1.00 0.83 C ATOM 1153 SD MET A 73 6.034 -1.794 -2.163 1.00 1.86 S ATOM 1154 CE MET A 73 5.568 -0.779 -0.763 1.00 2.56 C ATOM 0 H MET A 73 4.701 -5.179 -3.954 1.00 0.36 H new ATOM 0 HA MET A 73 7.513 -4.421 -3.415 1.00 0.36 H new ATOM 0 HB2 MET A 73 5.696 -5.367 -1.230 1.00 0.43 H new ATOM 0 HB3 MET A 73 7.055 -4.263 -1.153 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.418 -3.537 -2.467 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.745 -3.256 -0.769 1.00 0.83 H new ATOM 0 HE1 MET A 73 6.000 0.215 -0.875 1.00 2.56 H new ATOM 0 HE2 MET A 73 4.482 -0.700 -0.717 1.00 2.56 H new ATOM 0 HE3 MET A 73 5.938 -1.234 0.156 1.00 2.56 H new ATOM 1164 N GLU A 74 8.200 -6.783 -2.778 1.00 0.33 N ATOM 1165 CA GLU A 74 8.643 -8.170 -2.717 1.00 0.31 C ATOM 1166 C GLU A 74 8.900 -8.595 -1.276 1.00 0.31 C ATOM 1167 O GLU A 74 9.741 -8.013 -0.587 1.00 0.37 O ATOM 1168 CB GLU A 74 9.914 -8.367 -3.548 1.00 0.37 C ATOM 1169 CG GLU A 74 10.398 -9.807 -3.575 1.00 0.41 C ATOM 1170 CD GLU A 74 11.419 -10.058 -4.669 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.112 -9.772 -5.846 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.526 -10.540 -4.349 1.00 1.52 O ATOM 0 H GLU A 74 8.920 -6.099 -2.545 1.00 0.33 H new ATOM 0 HA GLU A 74 7.849 -8.792 -3.130 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.727 -8.035 -4.569 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.704 -7.733 -3.146 1.00 0.37 H new ATOM 0 HG2 GLU A 74 10.837 -10.057 -2.609 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.545 -10.471 -3.719 1.00 0.41 H new ATOM 1179 N SER A 75 8.173 -9.609 -0.822 1.00 0.29 N ATOM 1180 CA SER A 75 8.326 -10.107 0.539 1.00 0.33 C ATOM 1181 C SER A 75 8.496 -11.624 0.553 1.00 0.33 C ATOM 1182 O SER A 75 7.541 -12.367 0.324 1.00 0.38 O ATOM 1183 CB SER A 75 7.113 -9.709 1.384 1.00 0.41 C ATOM 1184 OG SER A 75 7.063 -10.454 2.588 1.00 1.32 O ATOM 0 H SER A 75 7.473 -10.102 -1.376 1.00 0.29 H new ATOM 0 HA SER A 75 9.224 -9.659 0.965 1.00 0.33 H new ATOM 0 HB2 SER A 75 7.159 -8.644 1.613 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.199 -9.873 0.813 1.00 0.41 H new ATOM 0 HG SER A 75 6.210 -10.287 3.041 1.00 1.32 H new ATOM 1190 N VAL A 76 9.716 -12.078 0.826 1.00 0.37 N ATOM 1191 CA VAL A 76 10.005 -13.507 0.869 1.00 0.41 C ATOM 1192 C VAL A 76 9.761 -14.073 2.265 1.00 0.43 C ATOM 1193 O VAL A 76 9.086 -15.091 2.422 1.00 0.46 O ATOM 1194 CB VAL A 76 11.456 -13.812 0.440 1.00 0.48 C ATOM 1195 CG1 VAL A 76 12.453 -13.155 1.383 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.685 -15.315 0.376 1.00 1.33 C ATOM 0 H VAL A 76 10.518 -11.478 1.020 1.00 0.37 H new ATOM 0 HA VAL A 76 9.327 -13.986 0.162 1.00 0.41 H new ATOM 0 HB VAL A 76 11.612 -13.395 -0.555 1.00 0.48 H new ATOM 0 HG11 VAL A 76 13.468 -13.386 1.058 1.00 1.54 H new ATOM 0 HG12 VAL A 76 12.306 -12.075 1.373 1.00 1.54 H new ATOM 0 HG13 VAL A 76 12.301 -13.533 2.394 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.713 -15.514 0.072 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.506 -15.752 1.358 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.001 -15.757 -0.348 1.00 1.33 H new ATOM 1206 N VAL A 77 10.310 -13.407 3.278 1.00 0.45 N ATOM 1207 CA VAL A 77 10.140 -13.848 4.660 1.00 0.49 C ATOM 1208 C VAL A 77 8.922 -13.188 5.306 1.00 0.45 C ATOM 1209 O VAL A 77 8.104 -13.862 5.932 1.00 0.47 O ATOM 1210 CB VAL A 77 11.390 -13.555 5.521 1.00 0.57 C ATOM 1211 CG1 VAL A 77 11.440 -14.487 6.722 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.662 -13.678 4.694 1.00 0.77 C ATOM 0 H VAL A 77 10.874 -12.564 3.169 1.00 0.45 H new ATOM 0 HA VAL A 77 9.990 -14.927 4.621 1.00 0.49 H new ATOM 0 HB VAL A 77 11.320 -12.529 5.882 1.00 0.57 H new ATOM 0 HG11 VAL A 77 12.326 -14.267 7.317 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.548 -14.342 7.332 1.00 0.80 H new ATOM 0 HG13 VAL A 77 11.481 -15.521 6.379 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.527 -13.467 5.323 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.741 -14.690 4.296 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.630 -12.965 3.870 1.00 0.77 H new ATOM 1222 N PRO A 78 8.781 -11.856 5.163 1.00 0.43 N ATOM 1223 CA PRO A 78 7.649 -11.116 5.736 1.00 0.41 C ATOM 1224 C PRO A 78 6.304 -11.573 5.177 1.00 0.35 C ATOM 1225 O PRO A 78 5.252 -11.231 5.716 1.00 0.34 O ATOM 1226 CB PRO A 78 7.921 -9.660 5.339 1.00 0.42 C ATOM 1227 CG PRO A 78 9.370 -9.616 4.997 1.00 0.48 C ATOM 1228 CD PRO A 78 9.698 -10.966 4.434 1.00 0.46 C ATOM 0 HA PRO A 78 7.578 -11.271 6.813 1.00 0.41 H new ATOM 0 HB2 PRO A 78 7.306 -9.361 4.490 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.688 -8.978 6.157 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.577 -8.829 4.272 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.974 -9.403 5.879 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.530 -11.007 3.358 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.741 -11.233 4.605 1.00 0.46 H new ATOM 1236 N SER A 79 6.336 -12.346 4.092 1.00 0.34 N ATOM 1237 CA SER A 79 5.111 -12.838 3.474 1.00 0.34 C ATOM 1238 C SER A 79 4.229 -13.540 4.496 1.00 0.38 C ATOM 1239 O SER A 79 3.018 -13.651 4.308 1.00 0.39 O ATOM 1240 CB SER A 79 5.442 -13.788 2.322 1.00 0.39 C ATOM 1241 OG SER A 79 5.637 -15.111 2.792 1.00 1.13 O ATOM 0 H SER A 79 7.194 -12.642 3.627 1.00 0.34 H new ATOM 0 HA SER A 79 4.563 -11.982 3.081 1.00 0.34 H new ATOM 0 HB2 SER A 79 4.634 -13.774 1.591 1.00 0.39 H new ATOM 0 HB3 SER A 79 6.341 -13.444 1.810 1.00 0.39 H new ATOM 0 HG SER A 79 5.846 -15.699 2.036 1.00 1.13 H new ATOM 1247 N ASP A 80 4.836 -14.009 5.583 1.00 0.43 N ATOM 1248 CA ASP A 80 4.089 -14.693 6.631 1.00 0.50 C ATOM 1249 C ASP A 80 2.875 -13.875 7.046 1.00 0.42 C ATOM 1250 O ASP A 80 1.779 -14.413 7.202 1.00 0.47 O ATOM 1251 CB ASP A 80 4.987 -14.959 7.842 1.00 0.62 C ATOM 1252 CG ASP A 80 4.444 -16.058 8.735 1.00 1.27 C ATOM 1253 OD1 ASP A 80 3.205 -16.199 8.817 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.256 -16.777 9.353 1.00 1.69 O ATOM 0 H ASP A 80 5.837 -13.928 5.759 1.00 0.43 H new ATOM 0 HA ASP A 80 3.744 -15.648 6.236 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.984 -15.234 7.498 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.091 -14.042 8.422 1.00 0.62 H new ATOM 1259 N LYS A 81 3.063 -12.568 7.199 1.00 0.38 N ATOM 1260 CA LYS A 81 1.958 -11.700 7.569 1.00 0.33 C ATOM 1261 C LYS A 81 1.265 -11.194 6.314 1.00 0.26 C ATOM 1262 O LYS A 81 1.816 -10.379 5.576 1.00 0.27 O ATOM 1263 CB LYS A 81 2.472 -10.514 8.391 1.00 0.40 C ATOM 1264 CG LYS A 81 3.728 -9.882 7.810 1.00 0.91 C ATOM 1265 CD LYS A 81 3.852 -8.415 8.191 1.00 1.02 C ATOM 1266 CE LYS A 81 5.153 -7.815 7.676 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.311 -8.180 8.538 1.00 1.23 N ATOM 0 H LYS A 81 3.958 -12.095 7.074 1.00 0.38 H new ATOM 0 HA LYS A 81 1.248 -12.266 8.172 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.689 -9.758 8.455 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.678 -10.847 9.408 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.605 -10.425 8.164 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.712 -9.975 6.724 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.007 -7.859 7.784 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.807 -8.314 9.275 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.335 -8.161 6.658 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.060 -6.730 7.632 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.158 -8.304 7.947 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.480 -7.423 9.231 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.105 -9.068 9.039 1.00 1.23 H new ATOM 1281 N GLY A 82 0.082 -11.731 6.040 1.00 0.24 N ATOM 1282 CA GLY A 82 -0.618 -11.366 4.830 1.00 0.24 C ATOM 1283 C GLY A 82 -1.659 -10.273 4.995 1.00 0.28 C ATOM 1284 O GLY A 82 -2.550 -10.139 4.156 1.00 0.53 O ATOM 0 H GLY A 82 -0.400 -12.408 6.632 1.00 0.24 H new ATOM 0 HA2 GLY A 82 0.113 -11.042 4.089 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.106 -12.254 4.429 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.556 -9.459 6.038 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.509 -8.372 6.206 1.00 0.28 C ATOM 1290 C ASN A 83 -1.964 -7.127 5.517 1.00 0.30 C ATOM 1291 O ASN A 83 -0.988 -6.532 5.975 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.754 -8.094 7.690 1.00 0.40 C ATOM 1293 CG ASN A 83 -4.043 -7.335 7.932 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -5.128 -7.800 7.578 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.933 -6.160 8.540 1.00 0.96 N ATOM 0 H ASN A 83 -0.841 -9.527 6.763 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.461 -8.653 5.756 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.785 -9.038 8.233 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.918 -7.522 8.092 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.767 -5.605 8.731 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.015 -5.813 8.816 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.588 -6.747 4.405 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.140 -5.584 3.645 1.00 0.40 C ATOM 1304 C TYR A 84 -2.961 -4.348 3.976 1.00 0.35 C ATOM 1305 O TYR A 84 -4.139 -4.257 3.630 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.208 -5.865 2.142 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.908 -6.379 1.564 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.151 -7.325 2.244 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -0.440 -5.919 0.340 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.038 -7.797 1.719 1.00 2.76 C ATOM 1311 CE2 TYR A 84 0.746 -6.387 -0.190 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.484 -7.321 0.505 1.00 2.86 C ATOM 1313 OH TYR A 84 2.662 -7.796 -0.026 1.00 3.72 O ATOM 0 H TYR A 84 -3.400 -7.224 4.012 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.105 -5.390 3.928 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.995 -6.595 1.952 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.491 -4.950 1.622 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.496 -7.697 3.197 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -1.013 -5.184 -0.206 1.00 1.74 H new ATOM 0 HE1 TYR A 84 1.614 -8.535 2.258 1.00 2.76 H new ATOM 0 HE2 TYR A 84 1.094 -6.023 -1.145 1.00 2.46 H new ATOM 0 HH TYR A 84 2.927 -8.613 0.445 1.00 3.72 H new ATOM 1323 N THR A 85 -2.325 -3.391 4.639 1.00 0.32 N ATOM 1324 CA THR A 85 -2.985 -2.150 5.007 1.00 0.33 C ATOM 1325 C THR A 85 -2.198 -0.951 4.492 1.00 0.29 C ATOM 1326 O THR A 85 -1.046 -0.747 4.872 1.00 0.31 O ATOM 1327 CB THR A 85 -3.144 -2.032 6.534 1.00 0.45 C ATOM 1328 OG1 THR A 85 -3.567 -3.286 7.081 1.00 1.14 O ATOM 1329 CG2 THR A 85 -4.152 -0.951 6.896 1.00 1.00 C ATOM 0 H THR A 85 -1.350 -3.453 4.933 1.00 0.32 H new ATOM 0 HA THR A 85 -3.975 -2.161 4.550 1.00 0.33 H new ATOM 0 HB THR A 85 -2.177 -1.758 6.955 1.00 0.45 H new ATOM 0 HG1 THR A 85 -3.787 -3.172 8.029 1.00 1.14 H new ATOM 0 HG21 THR A 85 -4.245 -0.889 7.980 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.813 0.008 6.505 1.00 1.00 H new ATOM 0 HG23 THR A 85 -5.121 -1.197 6.462 1.00 1.00 H new ATOM 1337 N CYS A 86 -2.829 -0.154 3.636 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.182 1.027 3.087 1.00 0.30 C ATOM 1339 C CYS A 86 -2.663 2.273 3.815 1.00 0.30 C ATOM 1340 O CYS A 86 -3.862 2.540 3.884 1.00 0.31 O ATOM 1341 CB CYS A 86 -2.451 1.156 1.584 1.00 0.36 C ATOM 1342 SG CYS A 86 -4.180 0.852 1.103 1.00 0.65 S ATOM 0 H CYS A 86 -3.784 -0.305 3.310 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.107 0.922 3.230 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -2.167 2.157 1.261 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -1.809 0.455 1.051 1.00 0.36 H new ATOM 1347 N VAL A 87 -1.720 3.039 4.343 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.049 4.265 5.049 1.00 0.30 C ATOM 1349 C VAL A 87 -1.587 5.476 4.253 1.00 0.31 C ATOM 1350 O VAL A 87 -0.398 5.790 4.228 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.408 4.300 6.449 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -1.929 5.484 7.247 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -1.666 2.994 7.185 1.00 0.97 C ATOM 0 H VAL A 87 -0.722 2.832 4.295 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.133 4.294 5.164 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.331 4.419 6.333 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.464 5.491 8.233 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.687 6.410 6.725 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.010 5.402 7.356 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.206 3.036 8.172 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -2.740 2.842 7.291 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.237 2.167 6.620 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.524 6.157 3.606 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.182 7.330 2.822 1.00 0.33 C ATOM 1365 C VAL A 88 -2.346 8.592 3.652 1.00 0.30 C ATOM 1366 O VAL A 88 -3.456 8.952 4.045 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.053 7.439 1.556 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.529 7.470 1.925 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.672 8.670 0.749 1.00 1.50 C ATOM 0 H VAL A 88 -3.516 5.919 3.610 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.140 7.223 2.519 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.875 6.559 0.938 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.129 7.547 1.018 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -4.790 6.555 2.456 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -4.726 8.330 2.565 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.298 8.730 -0.141 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.819 9.563 1.356 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -1.625 8.601 0.452 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.230 9.252 3.930 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.247 10.464 4.730 1.00 0.32 C ATOM 1381 C GLU A 89 -0.998 11.700 3.882 1.00 0.31 C ATOM 1382 O GLU A 89 -0.394 11.632 2.811 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.205 10.381 5.847 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.236 11.572 6.791 1.00 0.43 C ATOM 1385 CD GLU A 89 0.575 11.341 8.051 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.089 10.620 8.946 1.00 1.46 O ATOM 1387 OE2 GLU A 89 1.697 11.882 8.142 1.00 1.33 O ATOM 0 H GLU A 89 -0.303 8.967 3.613 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.241 10.551 5.169 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.369 9.468 6.420 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.788 10.304 5.403 1.00 0.37 H new ATOM 0 HG2 GLU A 89 0.148 12.451 6.273 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.269 11.788 7.063 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.455 12.836 4.388 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.275 14.107 3.714 1.00 0.36 C ATOM 1396 C ASN A 90 -0.990 15.193 4.744 1.00 0.43 C ATOM 1397 O ASN A 90 -1.267 15.019 5.930 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.518 14.466 2.895 1.00 0.37 C ATOM 1399 CG ASN A 90 -3.808 14.065 3.587 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.168 12.888 3.617 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.510 15.043 4.147 1.00 0.86 N ATOM 0 H ASN A 90 -1.958 12.900 5.273 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.430 14.027 3.030 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.528 15.540 2.709 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.463 13.975 1.924 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.385 14.833 4.626 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.174 16.005 4.098 1.00 0.86 H new ATOM 1408 N GLU A 91 -0.446 16.312 4.293 1.00 0.57 N ATOM 1409 CA GLU A 91 -0.139 17.419 5.186 1.00 0.66 C ATOM 1410 C GLU A 91 -1.384 17.873 5.955 1.00 0.68 C ATOM 1411 O GLU A 91 -1.275 18.560 6.971 1.00 0.75 O ATOM 1412 CB GLU A 91 0.442 18.593 4.393 1.00 0.76 C ATOM 1413 CG GLU A 91 1.364 19.484 5.211 1.00 1.15 C ATOM 1414 CD GLU A 91 0.615 20.576 5.946 1.00 1.72 C ATOM 1415 OE1 GLU A 91 0.012 21.439 5.275 1.00 2.34 O ATOM 1416 OE2 GLU A 91 0.632 20.569 7.195 1.00 2.24 O ATOM 0 H GLU A 91 -0.208 16.478 3.315 1.00 0.57 H new ATOM 0 HA GLU A 91 0.600 17.072 5.908 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.992 18.205 3.536 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -0.377 19.196 4.000 1.00 0.76 H new ATOM 0 HG2 GLU A 91 1.909 18.874 5.931 1.00 1.15 H new ATOM 0 HG3 GLU A 91 2.105 19.937 4.552 1.00 1.15 H new ATOM 1423 N TYR A 92 -2.569 17.503 5.460 1.00 0.64 N ATOM 1424 CA TYR A 92 -3.821 17.900 6.101 1.00 0.68 C ATOM 1425 C TYR A 92 -4.486 16.752 6.870 1.00 0.60 C ATOM 1426 O TYR A 92 -5.565 16.932 7.436 1.00 0.63 O ATOM 1427 CB TYR A 92 -4.794 18.446 5.054 1.00 0.75 C ATOM 1428 CG TYR A 92 -4.889 19.956 5.047 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -3.762 20.740 4.838 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -6.107 20.596 5.247 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -3.845 22.121 4.831 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -6.198 21.974 5.240 1.00 2.05 C ATOM 1433 CZ TYR A 92 -5.065 22.731 5.031 1.00 2.19 C ATOM 1434 OH TYR A 92 -5.151 24.106 5.024 1.00 2.77 O ATOM 0 H TYR A 92 -2.685 16.933 4.622 1.00 0.64 H new ATOM 0 HA TYR A 92 -3.572 18.675 6.826 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -4.482 18.105 4.067 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -5.784 18.029 5.237 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -2.806 20.264 4.678 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -6.997 20.006 5.411 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -2.959 22.718 4.670 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -7.152 22.456 5.397 1.00 2.05 H new ATOM 0 HH TYR A 92 -6.080 24.376 5.178 1.00 2.77 H new ATOM 1444 N GLY A 93 -3.857 15.576 6.899 1.00 0.52 N ATOM 1445 CA GLY A 93 -4.447 14.451 7.616 1.00 0.47 C ATOM 1446 C GLY A 93 -3.970 13.097 7.126 1.00 0.40 C ATOM 1447 O GLY A 93 -3.316 12.998 6.088 1.00 0.40 O ATOM 0 H GLY A 93 -2.963 15.382 6.447 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -4.215 14.546 8.677 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -5.532 14.500 7.521 1.00 0.47 H new ATOM 1451 N SER A 94 -4.297 12.050 7.887 1.00 0.38 N ATOM 1452 CA SER A 94 -3.896 10.689 7.538 1.00 0.34 C ATOM 1453 C SER A 94 -5.080 9.725 7.563 1.00 0.34 C ATOM 1454 O SER A 94 -5.943 9.804 8.437 1.00 0.38 O ATOM 1455 CB SER A 94 -2.808 10.195 8.492 1.00 0.35 C ATOM 1456 OG SER A 94 -3.373 9.659 9.676 1.00 1.04 O ATOM 0 H SER A 94 -4.838 12.121 8.749 1.00 0.38 H new ATOM 0 HA SER A 94 -3.505 10.716 6.521 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.204 9.435 7.997 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.140 11.018 8.744 1.00 0.35 H new ATOM 0 HG SER A 94 -2.657 9.349 10.269 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.110 8.815 6.589 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.182 7.827 6.482 1.00 0.34 C ATOM 1464 C ILE A 95 -5.603 6.412 6.419 1.00 0.31 C ATOM 1465 O ILE A 95 -4.453 6.225 6.020 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.069 8.071 5.236 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.037 9.553 4.823 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.495 7.617 5.514 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.103 9.936 3.818 1.00 0.47 C ATOM 0 H ILE A 95 -4.400 8.742 5.860 1.00 0.32 H new ATOM 0 HA ILE A 95 -6.803 7.932 7.372 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.673 7.485 4.406 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.154 10.170 5.714 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.057 9.781 4.403 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.111 7.793 4.632 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.498 6.554 5.753 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -8.898 8.179 6.356 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.013 10.996 3.579 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -7.975 9.347 2.910 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.089 9.742 4.241 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.393 5.418 6.827 1.00 0.34 N ATOM 1482 CA ASN A 96 -5.930 4.028 6.824 1.00 0.34 C ATOM 1483 C ASN A 96 -6.884 3.102 6.066 1.00 0.34 C ATOM 1484 O ASN A 96 -8.103 3.218 6.178 1.00 0.38 O ATOM 1485 CB ASN A 96 -5.751 3.520 8.260 1.00 0.38 C ATOM 1486 CG ASN A 96 -6.746 4.125 9.233 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -6.380 4.554 10.327 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -8.015 4.162 8.841 1.00 1.12 N ATOM 0 H ASN A 96 -7.348 5.546 7.161 1.00 0.34 H new ATOM 0 HA ASN A 96 -4.970 4.013 6.307 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.855 2.435 8.271 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -4.739 3.747 8.596 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -8.727 4.557 9.455 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -8.277 3.796 7.926 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.305 2.167 5.309 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.079 1.192 4.539 1.00 0.34 C ATOM 1497 C HIS A 97 -6.479 -0.208 4.694 1.00 0.33 C ATOM 1498 O HIS A 97 -5.272 -0.390 4.542 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.120 1.589 3.065 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.739 2.932 2.830 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -7.287 3.811 1.868 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.777 3.549 3.442 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.020 4.910 1.899 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.930 4.774 2.845 1.00 0.85 N ATOM 0 H HIS A 97 -5.295 2.065 5.213 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.098 1.179 4.924 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.105 1.590 2.668 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.679 0.837 2.509 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -6.508 3.639 1.232 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -9.373 3.151 4.250 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -7.896 5.772 1.260 1.00 1.06 H new ATOM 1513 N THR A 98 -7.322 -1.195 5.006 1.00 0.35 N ATOM 1514 CA THR A 98 -6.852 -2.569 5.192 1.00 0.35 C ATOM 1515 C THR A 98 -7.453 -3.543 4.175 1.00 0.35 C ATOM 1516 O THR A 98 -8.604 -3.396 3.765 1.00 0.36 O ATOM 1517 CB THR A 98 -7.176 -3.077 6.608 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.114 -1.994 7.545 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.205 -4.171 7.028 1.00 1.36 C ATOM 0 H THR A 98 -8.326 -1.070 5.134 1.00 0.35 H new ATOM 0 HA THR A 98 -5.773 -2.537 5.042 1.00 0.35 H new ATOM 0 HB THR A 98 -8.184 -3.492 6.597 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.323 -2.326 8.443 1.00 1.33 H new ATOM 0 HG21 THR A 98 -6.455 -4.513 8.032 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.275 -5.007 6.332 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.189 -3.778 7.021 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.668 -4.555 3.795 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.118 -5.581 2.852 1.00 0.42 C ATOM 1529 C TYR A 99 -6.693 -6.971 3.334 1.00 0.42 C ATOM 1530 O TYR A 99 -5.562 -7.172 3.781 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.588 -5.307 1.440 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.620 -3.844 1.065 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.777 -3.089 1.204 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.484 -3.217 0.567 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.801 -1.752 0.857 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.501 -1.880 0.219 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.690 -1.150 0.381 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.681 0.175 0.017 1.00 0.96 O ATOM 0 H TYR A 99 -5.713 -4.685 4.128 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.207 -5.548 2.808 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.563 -5.672 1.367 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.180 -5.873 0.721 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.672 -3.554 1.589 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.573 -3.784 0.450 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.714 -1.185 0.967 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.614 -1.404 -0.172 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.770 0.528 0.090 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.637 -7.903 3.292 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.399 -9.263 3.784 1.00 0.44 C ATOM 1550 C HIS A 100 -6.673 -10.172 2.783 1.00 0.42 C ATOM 1551 O HIS A 100 -7.280 -10.708 1.871 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.728 -9.907 4.181 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.461 -9.159 5.250 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.523 -9.691 5.947 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.279 -7.910 5.741 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.964 -8.803 6.820 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -10.225 -7.714 6.715 1.00 1.70 N ATOM 0 H HIS A 100 -8.575 -7.747 2.924 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.739 -9.162 4.645 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.364 -9.980 3.299 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.541 -10.924 4.524 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -8.529 -7.200 5.425 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -11.789 -8.944 7.503 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -10.339 -6.865 7.268 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.379 -10.404 2.988 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.640 -11.296 2.099 1.00 0.45 C ATOM 1568 C LEU A 101 -4.029 -12.457 2.881 1.00 0.48 C ATOM 1569 O LEU A 101 -3.596 -12.294 4.020 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.557 -10.530 1.331 1.00 0.51 C ATOM 1571 CG LEU A 101 -4.070 -9.365 0.485 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -2.949 -8.381 0.200 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.679 -9.876 -0.812 1.00 1.63 C ATOM 0 H LEU A 101 -4.830 -9.997 3.745 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.343 -11.706 1.374 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.827 -10.148 2.045 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.031 -11.228 0.680 1.00 0.51 H new ATOM 0 HG LEU A 101 -4.847 -8.846 1.046 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -3.332 -7.558 -0.403 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -2.559 -7.991 1.140 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -2.150 -8.887 -0.342 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -5.039 -9.033 -1.402 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -3.923 -10.420 -1.379 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -5.511 -10.542 -0.585 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.016 -13.636 2.268 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.475 -14.825 2.916 1.00 0.57 C ATOM 1587 C ASP A 102 -2.175 -15.271 2.254 1.00 0.54 C ATOM 1588 O ASP A 102 -2.002 -15.134 1.043 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.496 -15.963 2.872 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.853 -15.543 3.398 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -6.470 -14.640 2.794 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -6.300 -16.112 4.416 1.00 1.38 O ATOM 0 H ASP A 102 -4.373 -13.793 1.326 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.262 -14.572 3.955 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -4.600 -16.314 1.845 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.126 -16.803 3.460 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.266 -15.811 3.062 1.00 0.63 N ATOM 1598 CA VAL A 103 0.018 -16.285 2.561 1.00 0.68 C ATOM 1599 C VAL A 103 0.002 -17.798 2.367 1.00 0.66 C ATOM 1600 O VAL A 103 -0.218 -18.553 3.315 1.00 0.75 O ATOM 1601 CB VAL A 103 1.166 -15.914 3.520 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.998 -16.623 4.856 1.00 1.56 C ATOM 1603 CG2 VAL A 103 2.511 -16.249 2.896 1.00 1.60 C ATOM 0 H VAL A 103 -1.396 -15.931 4.067 1.00 0.63 H new ATOM 0 HA VAL A 103 0.186 -15.797 1.601 1.00 0.68 H new ATOM 0 HB VAL A 103 1.132 -14.839 3.699 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.818 -16.348 5.519 1.00 1.56 H new ATOM 0 HG12 VAL A 103 0.051 -16.328 5.308 1.00 1.56 H new ATOM 0 HG13 VAL A 103 1.004 -17.702 4.699 1.00 1.56 H new ATOM 0 HG21 VAL A 103 3.310 -15.980 3.587 1.00 1.60 H new ATOM 0 HG22 VAL A 103 2.558 -17.317 2.685 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.631 -15.690 1.968 1.00 1.60 H new ATOM 1613 N VAL A 104 0.233 -18.235 1.134 1.00 0.66 N ATOM 1614 CA VAL A 104 0.243 -19.658 0.817 1.00 0.73 C ATOM 1615 C VAL A 104 1.602 -20.092 0.280 1.00 0.83 C ATOM 1616 O VAL A 104 2.221 -19.383 -0.516 1.00 0.84 O ATOM 1617 CB VAL A 104 -0.842 -20.012 -0.216 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -0.899 -21.515 -0.436 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.196 -19.478 0.224 1.00 1.27 C ATOM 0 H VAL A 104 0.416 -17.624 0.338 1.00 0.66 H new ATOM 0 HA VAL A 104 0.036 -20.190 1.746 1.00 0.73 H new ATOM 0 HB VAL A 104 -0.583 -19.539 -1.163 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -1.672 -21.746 -1.169 1.00 1.44 H new ATOM 0 HG12 VAL A 104 0.066 -21.866 -0.802 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -1.132 -22.012 0.506 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.949 -19.739 -0.520 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.466 -19.918 1.184 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.145 -18.394 0.324 1.00 1.27 H new TER 1629 VAL A 104