USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1076 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 85 GLN :FLIP amide:sc= -3.9! C(o=-8.7!,f=-7.5!) USER MOD Set 1.2: A 88 CYS SG : rot 154:sc= -3.56! USER MOD Set 2.1: A 71 THR OG1 : rot 136:sc= -3.95! USER MOD Set 2.2: A 73 HIS : no HE2:sc= -12.4! C(o=-42!,f=-45!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -26! C(o=-42!,f=-51!) USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -4.72! C(o=-18!,f=-13!) USER MOD Set 3.2: A 65 ASN :FLIP amide:sc= -7.89! C(o=-13!,f=-13!) USER MOD Set 4.1: A 57 SER OG : rot -127:sc= -0.81! USER MOD Set 4.2: A 59 HIS : no HE2:sc= -12.1! C(o=-13!,f=-19!) USER MOD Set 5.1: A 19 SER OG : rot -178:sc= -0.936 USER MOD Set 5.2: A 99 ASN : amide:sc= -0.423 K(o=-1.4,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0037 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 12 SER OG : rot 180:sc= 0.113 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= -2.81! USER MOD Single : A 25 ASN : amide:sc= -0.0478 K(o=-0.048,f=-2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 30 CYS SG : rot -33:sc= -5.56! USER MOD Single : A 34 TYR OH : rot 120:sc= -5.7! USER MOD Single : A 35 THR OG1 : rot -120:sc= -2.39! USER MOD Single : A 36 THR OG1 : rot -121:sc= -2.27! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.44 (180deg=-0.279) USER MOD Single : A 44 TYR OH : rot 102:sc= -4.39! USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000342) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= -1.39 (180deg=-2.51) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -43:sc= -1.31! USER MOD Single : A 61 SER OG : rot 170:sc= -0.0752 USER MOD Single : A 62 TYR OH : rot -55:sc= 0.336 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 81 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.74) USER MOD Single : A 82 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.82) USER MOD Single : A 83 TYR OH : rot -19:sc= -4.59! USER MOD Single : A 86 LYS NZ :NH3+ 162:sc=-0.00884 (180deg=-0.283) USER MOD Single : A 89 THR OG1 : rot -19:sc= 1.46 USER MOD Single : A 91 SER OG : rot -159:sc= 0.389 USER MOD Single : A 95 CYS SG : rot -140:sc= -1.54 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0108) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 165:sc= -0.896 (180deg=-1.61) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -28:sc= -3.04! USER MOD Single : A 109 THR OG1 : rot -52:sc= 1.1 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 21:sc= 0.449! USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-3!) USER MOD Single : A 130 ASN : amide:sc= -2.13! C(o=-2.1!,f=-4!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 106.697 -8.936 28.544 1.00 0.00 N ATOM 2 CA GLY A 1 107.979 -8.367 27.936 1.00 0.00 C ATOM 3 C GLY A 1 108.990 -9.297 27.361 1.00 0.00 C ATOM 4 O GLY A 1 108.713 -10.453 27.110 1.00 0.00 O ATOM 0 H1 GLY A 1 106.105 -8.157 28.897 1.00 0.00 H new ATOM 0 H2 GLY A 1 106.174 -9.467 27.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 106.938 -9.572 29.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 107.687 -7.673 27.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 108.476 -7.781 28.709 1.00 0.00 H new ATOM 10 N SER A 2 110.186 -8.825 27.137 1.00 0.00 N ATOM 11 CA SER A 2 111.240 -9.707 26.563 1.00 0.00 C ATOM 12 C SER A 2 110.700 -10.395 25.308 1.00 0.00 C ATOM 13 O SER A 2 110.420 -11.577 25.308 1.00 0.00 O ATOM 14 CB SER A 2 111.634 -10.765 27.593 1.00 0.00 C ATOM 15 OG SER A 2 111.398 -10.259 28.900 1.00 0.00 O ATOM 0 H SER A 2 110.478 -7.866 27.327 1.00 0.00 H new ATOM 0 HA SER A 2 112.113 -9.109 26.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.058 -11.676 27.434 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.685 -11.028 27.477 1.00 0.00 H new ATOM 0 HG SER A 2 111.648 -10.936 29.563 1.00 0.00 H new ATOM 21 N LYS A 3 110.551 -9.664 24.237 1.00 0.00 N ATOM 22 CA LYS A 3 110.028 -10.276 22.983 1.00 0.00 C ATOM 23 C LYS A 3 110.455 -9.426 21.785 1.00 0.00 C ATOM 24 O LYS A 3 110.718 -8.247 21.913 1.00 0.00 O ATOM 25 CB LYS A 3 108.500 -10.338 23.045 1.00 0.00 C ATOM 26 CG LYS A 3 107.934 -8.917 23.076 1.00 0.00 C ATOM 27 CD LYS A 3 106.681 -8.886 23.954 1.00 0.00 C ATOM 28 CE LYS A 3 106.283 -7.434 24.224 1.00 0.00 C ATOM 29 NZ LYS A 3 104.936 -7.173 23.645 1.00 0.00 N ATOM 0 H LYS A 3 110.769 -8.669 24.176 1.00 0.00 H new ATOM 0 HA LYS A 3 110.429 -11.284 22.875 1.00 0.00 H new ATOM 0 HB2 LYS A 3 108.112 -10.877 22.181 1.00 0.00 H new ATOM 0 HB3 LYS A 3 108.183 -10.887 23.932 1.00 0.00 H new ATOM 0 HG2 LYS A 3 108.681 -8.225 23.465 1.00 0.00 H new ATOM 0 HG3 LYS A 3 107.691 -8.589 22.065 1.00 0.00 H new ATOM 0 HD2 LYS A 3 105.864 -9.412 23.460 1.00 0.00 H new ATOM 0 HD3 LYS A 3 106.870 -9.403 24.895 1.00 0.00 H new ATOM 0 HE2 LYS A 3 106.273 -7.242 25.297 1.00 0.00 H new ATOM 0 HE3 LYS A 3 107.016 -6.757 23.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 104.665 -6.186 23.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 104.961 -7.341 22.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 104.240 -7.810 24.083 1.00 0.00 H new ATOM 43 N VAL A 4 110.527 -10.015 20.623 1.00 0.00 N ATOM 44 CA VAL A 4 110.937 -9.242 19.418 1.00 0.00 C ATOM 45 C VAL A 4 110.233 -7.884 19.419 1.00 0.00 C ATOM 46 O VAL A 4 109.067 -7.780 19.745 1.00 0.00 O ATOM 47 CB VAL A 4 110.550 -10.017 18.157 1.00 0.00 C ATOM 48 CG1 VAL A 4 109.037 -10.248 18.143 1.00 0.00 C ATOM 49 CG2 VAL A 4 110.952 -9.210 16.920 1.00 0.00 C ATOM 0 H VAL A 4 110.319 -11.000 20.456 1.00 0.00 H new ATOM 0 HA VAL A 4 112.016 -9.091 19.434 1.00 0.00 H new ATOM 0 HB VAL A 4 111.065 -10.978 18.149 1.00 0.00 H new ATOM 0 HG11 VAL A 4 108.762 -10.800 17.244 1.00 0.00 H new ATOM 0 HG12 VAL A 4 108.748 -10.821 19.024 1.00 0.00 H new ATOM 0 HG13 VAL A 4 108.522 -9.287 18.151 1.00 0.00 H new ATOM 0 HG21 VAL A 4 110.677 -9.761 16.021 1.00 0.00 H new ATOM 0 HG22 VAL A 4 110.437 -8.250 16.929 1.00 0.00 H new ATOM 0 HG23 VAL A 4 112.029 -9.044 16.928 1.00 0.00 H new ATOM 59 N GLU A 5 110.930 -6.842 19.060 1.00 0.00 N ATOM 60 CA GLU A 5 110.298 -5.494 19.043 1.00 0.00 C ATOM 61 C GLU A 5 109.825 -5.168 17.624 1.00 0.00 C ATOM 62 O GLU A 5 110.576 -4.668 16.809 1.00 0.00 O ATOM 63 CB GLU A 5 111.317 -4.446 19.494 1.00 0.00 C ATOM 64 CG GLU A 5 110.961 -3.962 20.900 1.00 0.00 C ATOM 65 CD GLU A 5 111.591 -2.589 21.143 1.00 0.00 C ATOM 66 OE1 GLU A 5 111.388 -1.712 20.320 1.00 0.00 O ATOM 67 OE2 GLU A 5 112.266 -2.438 22.148 1.00 0.00 O ATOM 0 H GLU A 5 111.910 -6.866 18.778 1.00 0.00 H new ATOM 0 HA GLU A 5 109.444 -5.486 19.721 1.00 0.00 H new ATOM 0 HB2 GLU A 5 112.320 -4.872 19.488 1.00 0.00 H new ATOM 0 HB3 GLU A 5 111.323 -3.606 18.799 1.00 0.00 H new ATOM 0 HG2 GLU A 5 109.878 -3.902 21.012 1.00 0.00 H new ATOM 0 HG3 GLU A 5 111.319 -4.675 21.643 1.00 0.00 H new ATOM 74 N ASP A 6 108.587 -5.449 17.324 1.00 0.00 N ATOM 75 CA ASP A 6 108.066 -5.158 15.963 1.00 0.00 C ATOM 76 C ASP A 6 108.130 -3.648 15.703 1.00 0.00 C ATOM 77 O ASP A 6 107.923 -2.858 16.602 1.00 0.00 O ATOM 78 CB ASP A 6 106.616 -5.631 15.877 1.00 0.00 C ATOM 79 CG ASP A 6 106.543 -7.119 16.227 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.765 -7.447 17.380 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.267 -7.904 15.335 1.00 0.00 O ATOM 0 H ASP A 6 107.914 -5.868 17.965 1.00 0.00 H new ATOM 0 HA ASP A 6 108.668 -5.676 15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.993 -5.055 16.561 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.226 -5.463 14.873 1.00 0.00 H new ATOM 86 N PRO A 7 108.419 -3.294 14.476 1.00 0.00 N ATOM 87 CA PRO A 7 108.521 -1.885 14.058 1.00 0.00 C ATOM 88 C PRO A 7 107.131 -1.285 13.840 1.00 0.00 C ATOM 89 O PRO A 7 106.384 -1.723 12.988 1.00 0.00 O ATOM 90 CB PRO A 7 109.285 -1.959 12.734 1.00 0.00 C ATOM 91 CG PRO A 7 109.069 -3.390 12.188 1.00 0.00 C ATOM 92 CD PRO A 7 108.671 -4.264 13.392 1.00 0.00 C ATOM 0 HA PRO A 7 109.012 -1.257 14.801 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.915 -1.214 12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.345 -1.756 12.885 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.289 -3.401 11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 7 109.978 -3.767 11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.784 -4.859 13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.466 -4.961 13.658 1.00 0.00 H new ATOM 100 N LYS A 8 106.779 -0.279 14.591 1.00 0.00 N ATOM 101 CA LYS A 8 105.442 0.349 14.409 1.00 0.00 C ATOM 102 C LYS A 8 105.495 1.295 13.207 1.00 0.00 C ATOM 103 O LYS A 8 104.528 1.953 12.877 1.00 0.00 O ATOM 104 CB LYS A 8 105.072 1.139 15.667 1.00 0.00 C ATOM 105 CG LYS A 8 104.788 0.167 16.813 1.00 0.00 C ATOM 106 CD LYS A 8 103.283 0.116 17.079 1.00 0.00 C ATOM 107 CE LYS A 8 103.030 0.129 18.587 1.00 0.00 C ATOM 108 NZ LYS A 8 103.428 -1.185 19.168 1.00 0.00 N ATOM 0 H LYS A 8 107.359 0.134 15.321 1.00 0.00 H new ATOM 0 HA LYS A 8 104.692 -0.423 14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.885 1.812 15.939 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.196 1.759 15.476 1.00 0.00 H new ATOM 0 HG2 LYS A 8 105.157 -0.827 16.560 1.00 0.00 H new ATOM 0 HG3 LYS A 8 105.316 0.484 17.712 1.00 0.00 H new ATOM 0 HD2 LYS A 8 102.791 0.968 16.610 1.00 0.00 H new ATOM 0 HD3 LYS A 8 102.855 -0.783 16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 8 103.598 0.933 19.055 1.00 0.00 H new ATOM 0 HE3 LYS A 8 101.977 0.324 18.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 103.240 -1.183 20.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 102.879 -1.945 18.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 104.442 -1.345 19.002 1.00 0.00 H new ATOM 122 N ASP A 9 106.624 1.366 12.550 1.00 0.00 N ATOM 123 CA ASP A 9 106.755 2.264 11.370 1.00 0.00 C ATOM 124 C ASP A 9 108.197 2.207 10.860 1.00 0.00 C ATOM 125 O ASP A 9 109.087 1.755 11.553 1.00 0.00 O ATOM 126 CB ASP A 9 106.417 3.700 11.778 1.00 0.00 C ATOM 127 CG ASP A 9 105.950 4.485 10.551 1.00 0.00 C ATOM 128 OD1 ASP A 9 105.745 3.867 9.519 1.00 0.00 O ATOM 129 OD2 ASP A 9 105.803 5.691 10.664 1.00 0.00 O ATOM 0 H ASP A 9 107.464 0.836 12.784 1.00 0.00 H new ATOM 0 HA ASP A 9 106.070 1.942 10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.637 3.699 12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 9 107.292 4.179 12.218 1.00 0.00 H new ATOM 134 N PHE A 10 108.438 2.668 9.662 1.00 0.00 N ATOM 135 CA PHE A 10 109.829 2.649 9.119 1.00 0.00 C ATOM 136 C PHE A 10 110.791 3.118 10.220 1.00 0.00 C ATOM 137 O PHE A 10 110.360 3.672 11.212 1.00 0.00 O ATOM 138 CB PHE A 10 109.915 3.613 7.930 1.00 0.00 C ATOM 139 CG PHE A 10 108.732 3.416 7.009 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.765 2.411 6.038 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.614 4.253 7.112 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.682 2.239 5.169 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.528 4.079 6.244 1.00 0.00 C ATOM 144 CZ PHE A 10 106.563 3.071 5.272 1.00 0.00 C ATOM 0 H PHE A 10 107.733 3.057 9.036 1.00 0.00 H new ATOM 0 HA PHE A 10 110.093 1.643 8.795 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.938 4.642 8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.843 3.445 7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.628 1.766 5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.589 5.032 7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.710 1.463 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.664 4.722 6.324 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.726 2.937 4.603 1.00 0.00 H new ATOM 154 N PRO A 11 112.063 2.890 10.016 1.00 0.00 N ATOM 155 CA PRO A 11 113.097 3.289 10.987 1.00 0.00 C ATOM 156 C PRO A 11 113.342 4.799 10.910 1.00 0.00 C ATOM 157 O PRO A 11 113.084 5.429 9.905 1.00 0.00 O ATOM 158 CB PRO A 11 114.330 2.495 10.550 1.00 0.00 C ATOM 159 CG PRO A 11 114.109 2.127 9.065 1.00 0.00 C ATOM 160 CD PRO A 11 112.593 2.224 8.808 1.00 0.00 C ATOM 0 HA PRO A 11 112.822 3.085 12.022 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.237 3.087 10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.450 1.599 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.657 2.806 8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.474 1.121 8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.378 2.800 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 11 112.149 1.238 8.669 1.00 0.00 H new ATOM 168 N SER A 12 113.826 5.385 11.971 1.00 0.00 N ATOM 169 CA SER A 12 114.073 6.857 11.966 1.00 0.00 C ATOM 170 C SER A 12 115.149 7.205 10.936 1.00 0.00 C ATOM 171 O SER A 12 115.147 8.277 10.362 1.00 0.00 O ATOM 172 CB SER A 12 114.534 7.312 13.353 1.00 0.00 C ATOM 173 OG SER A 12 114.414 6.235 14.273 1.00 0.00 O ATOM 0 H SER A 12 114.061 4.909 12.842 1.00 0.00 H new ATOM 0 HA SER A 12 113.146 7.367 11.705 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.568 7.653 13.310 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.933 8.158 13.688 1.00 0.00 H new ATOM 0 HG SER A 12 114.711 6.528 15.160 1.00 0.00 H new ATOM 179 N GLU A 13 116.071 6.315 10.697 1.00 0.00 N ATOM 180 CA GLU A 13 117.146 6.609 9.706 1.00 0.00 C ATOM 181 C GLU A 13 116.522 6.889 8.336 1.00 0.00 C ATOM 182 O GLU A 13 117.167 7.404 7.445 1.00 0.00 O ATOM 183 CB GLU A 13 118.089 5.409 9.601 1.00 0.00 C ATOM 184 CG GLU A 13 119.532 5.877 9.805 1.00 0.00 C ATOM 185 CD GLU A 13 120.490 4.716 9.535 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.075 3.581 9.697 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.624 4.984 9.172 1.00 0.00 O ATOM 0 H GLU A 13 116.128 5.399 11.143 1.00 0.00 H new ATOM 0 HA GLU A 13 117.707 7.484 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.828 4.661 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.984 4.934 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.754 6.708 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.666 6.243 10.823 1.00 0.00 H new ATOM 194 N LEU A 14 115.272 6.553 8.159 1.00 0.00 N ATOM 195 CA LEU A 14 114.617 6.801 6.843 1.00 0.00 C ATOM 196 C LEU A 14 113.294 7.543 7.053 1.00 0.00 C ATOM 197 O LEU A 14 112.626 7.912 6.108 1.00 0.00 O ATOM 198 CB LEU A 14 114.344 5.466 6.149 1.00 0.00 C ATOM 199 CG LEU A 14 115.644 4.668 6.043 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.338 3.260 5.530 1.00 0.00 C ATOM 201 CD2 LEU A 14 116.593 5.370 5.068 1.00 0.00 C ATOM 0 H LEU A 14 114.679 6.119 8.866 1.00 0.00 H new ATOM 0 HA LEU A 14 115.277 7.408 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.602 4.898 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.930 5.639 5.156 1.00 0.00 H new ATOM 0 HG LEU A 14 116.112 4.603 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.265 2.691 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 14 114.660 2.760 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 114.871 3.324 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 14 117.521 4.803 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 14 116.124 5.434 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 116.811 6.374 5.432 1.00 0.00 H new ATOM 213 N LEU A 15 112.907 7.765 8.279 1.00 0.00 N ATOM 214 CA LEU A 15 111.626 8.485 8.534 1.00 0.00 C ATOM 215 C LEU A 15 111.749 9.930 8.047 1.00 0.00 C ATOM 216 O LEU A 15 110.780 10.662 7.995 1.00 0.00 O ATOM 217 CB LEU A 15 111.319 8.474 10.033 1.00 0.00 C ATOM 218 CG LEU A 15 110.612 7.168 10.401 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.449 7.084 11.920 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.233 7.132 9.738 1.00 0.00 C ATOM 0 H LEU A 15 113.420 7.480 9.113 1.00 0.00 H new ATOM 0 HA LEU A 15 110.818 7.988 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.242 8.574 10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.690 9.326 10.292 1.00 0.00 H new ATOM 0 HG LEU A 15 111.206 6.323 10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.945 6.153 12.181 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.431 7.110 12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.855 7.928 12.269 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.728 6.202 9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.640 7.977 10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.348 7.191 8.656 1.00 0.00 H new ATOM 232 N SER A 16 112.933 10.348 7.692 1.00 0.00 N ATOM 233 CA SER A 16 113.119 11.746 7.210 1.00 0.00 C ATOM 234 C SER A 16 112.268 11.975 5.959 1.00 0.00 C ATOM 235 O SER A 16 111.276 12.676 5.990 1.00 0.00 O ATOM 236 CB SER A 16 114.593 11.973 6.872 1.00 0.00 C ATOM 237 OG SER A 16 115.354 11.978 8.073 1.00 0.00 O ATOM 0 H SER A 16 113.781 9.781 7.715 1.00 0.00 H new ATOM 0 HA SER A 16 112.811 12.443 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 16 114.950 11.189 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 16 114.716 12.920 6.346 1.00 0.00 H new ATOM 0 HG SER A 16 116.300 12.122 7.860 1.00 0.00 H new ATOM 243 N PHE A 17 112.652 11.391 4.856 1.00 0.00 N ATOM 244 CA PHE A 17 111.865 11.580 3.601 1.00 0.00 C ATOM 245 C PHE A 17 110.775 10.510 3.500 1.00 0.00 C ATOM 246 O PHE A 17 110.770 9.698 2.597 1.00 0.00 O ATOM 247 CB PHE A 17 112.790 11.478 2.380 1.00 0.00 C ATOM 248 CG PHE A 17 113.872 10.453 2.628 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.553 9.209 3.188 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.198 10.746 2.293 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.558 8.265 3.413 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.203 9.802 2.516 1.00 0.00 C ATOM 253 CZ PHE A 17 115.884 8.560 3.077 1.00 0.00 C ATOM 0 H PHE A 17 113.474 10.793 4.768 1.00 0.00 H new ATOM 0 HA PHE A 17 111.403 12.567 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.212 11.201 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.240 12.449 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.530 8.980 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.445 11.704 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.311 7.307 3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.226 10.030 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.661 7.830 3.250 1.00 0.00 H new ATOM 263 N LEU A 18 109.847 10.506 4.418 1.00 0.00 N ATOM 264 CA LEU A 18 108.758 9.489 4.368 1.00 0.00 C ATOM 265 C LEU A 18 107.404 10.181 4.534 1.00 0.00 C ATOM 266 O LEU A 18 107.176 10.903 5.485 1.00 0.00 O ATOM 267 CB LEU A 18 108.953 8.476 5.498 1.00 0.00 C ATOM 268 CG LEU A 18 109.475 7.159 4.921 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.787 6.189 6.061 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.408 6.545 4.010 1.00 0.00 C ATOM 0 H LEU A 18 109.796 11.161 5.198 1.00 0.00 H new ATOM 0 HA LEU A 18 108.788 8.974 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.656 8.867 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 18 108.009 8.309 6.017 1.00 0.00 H new ATOM 0 HG LEU A 18 110.382 7.349 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 18 110.159 5.251 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 18 110.544 6.625 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.880 5.999 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.778 5.606 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.502 6.356 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.183 7.235 3.197 1.00 0.00 H new ATOM 282 N SER A 19 106.500 9.964 3.617 1.00 0.00 N ATOM 283 CA SER A 19 105.161 10.606 3.723 1.00 0.00 C ATOM 284 C SER A 19 104.291 9.810 4.699 1.00 0.00 C ATOM 285 O SER A 19 104.017 8.645 4.492 1.00 0.00 O ATOM 286 CB SER A 19 104.494 10.628 2.347 1.00 0.00 C ATOM 287 OG SER A 19 105.494 10.730 1.342 1.00 0.00 O ATOM 0 H SER A 19 106.632 9.369 2.799 1.00 0.00 H new ATOM 0 HA SER A 19 105.276 11.627 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.906 9.722 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.805 11.470 2.277 1.00 0.00 H new ATOM 0 HG SER A 19 105.068 10.775 0.460 1.00 0.00 H new ATOM 293 N HIS A 20 103.857 10.427 5.763 1.00 0.00 N ATOM 294 CA HIS A 20 103.007 9.702 6.749 1.00 0.00 C ATOM 295 C HIS A 20 101.536 10.031 6.494 1.00 0.00 C ATOM 296 O HIS A 20 100.730 10.061 7.403 1.00 0.00 O ATOM 297 CB HIS A 20 103.388 10.135 8.166 1.00 0.00 C ATOM 298 CG HIS A 20 104.880 10.302 8.257 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.752 9.230 8.145 1.00 0.00 N ATOM 300 CD2 HIS A 20 105.670 11.409 8.448 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.002 9.710 8.270 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.010 11.032 8.456 1.00 0.00 N ATOM 0 H HIS A 20 104.054 11.401 5.992 1.00 0.00 H new ATOM 0 HA HIS A 20 103.163 8.628 6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 20 102.891 11.072 8.417 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.050 9.391 8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.307 12.418 8.573 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.892 9.100 8.225 1.00 0.00 H new ATOM 0 HE2 HIS A 20 107.823 11.636 8.578 1.00 0.00 H new ATOM 310 N ALA A 21 101.178 10.277 5.263 1.00 0.00 N ATOM 311 CA ALA A 21 99.758 10.604 4.954 1.00 0.00 C ATOM 312 C ALA A 21 99.021 9.331 4.537 1.00 0.00 C ATOM 313 O ALA A 21 99.233 8.800 3.465 1.00 0.00 O ATOM 314 CB ALA A 21 99.706 11.621 3.812 1.00 0.00 C ATOM 0 H ALA A 21 101.807 10.266 4.460 1.00 0.00 H new ATOM 0 HA ALA A 21 99.281 11.026 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.667 11.861 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.231 12.529 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.182 11.199 2.927 1.00 0.00 H new ATOM 320 N VAL A 22 98.156 8.838 5.379 1.00 0.00 N ATOM 321 CA VAL A 22 97.404 7.600 5.037 1.00 0.00 C ATOM 322 C VAL A 22 96.165 7.966 4.217 1.00 0.00 C ATOM 323 O VAL A 22 95.643 7.161 3.472 1.00 0.00 O ATOM 324 CB VAL A 22 96.976 6.896 6.324 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.568 5.458 6.007 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.144 6.888 7.313 1.00 0.00 C ATOM 0 H VAL A 22 97.938 9.240 6.291 1.00 0.00 H new ATOM 0 HA VAL A 22 98.041 6.935 4.453 1.00 0.00 H new ATOM 0 HB VAL A 22 96.130 7.425 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.263 4.956 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.737 5.463 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.413 4.928 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.840 6.386 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.989 6.359 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.436 7.913 7.540 1.00 0.00 H new ATOM 336 N PHE A 23 95.691 9.174 4.348 1.00 0.00 N ATOM 337 CA PHE A 23 94.486 9.589 3.575 1.00 0.00 C ATOM 338 C PHE A 23 94.696 10.998 3.019 1.00 0.00 C ATOM 339 O PHE A 23 93.915 11.897 3.267 1.00 0.00 O ATOM 340 CB PHE A 23 93.264 9.581 4.496 1.00 0.00 C ATOM 341 CG PHE A 23 92.770 8.165 4.664 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.526 7.243 5.398 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.556 7.773 4.087 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.067 5.929 5.555 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.098 6.460 4.243 1.00 0.00 C ATOM 346 CZ PHE A 23 91.854 5.538 4.977 1.00 0.00 C ATOM 0 H PHE A 23 96.085 9.892 4.956 1.00 0.00 H new ATOM 0 HA PHE A 23 94.326 8.894 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.524 10.004 5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.475 10.205 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.463 7.545 5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.973 8.484 3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.649 5.218 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.162 6.158 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.501 4.524 5.097 1.00 0.00 H new ATOM 356 N SER A 24 95.742 11.201 2.266 1.00 0.00 N ATOM 357 CA SER A 24 95.999 12.553 1.695 1.00 0.00 C ATOM 358 C SER A 24 94.888 12.906 0.705 1.00 0.00 C ATOM 359 O SER A 24 94.062 12.082 0.362 1.00 0.00 O ATOM 360 CB SER A 24 97.346 12.555 0.972 1.00 0.00 C ATOM 361 OG SER A 24 98.362 12.975 1.872 1.00 0.00 O ATOM 0 H SER A 24 96.430 10.489 2.021 1.00 0.00 H new ATOM 0 HA SER A 24 96.018 13.289 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.570 11.558 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.308 13.222 0.111 1.00 0.00 H new ATOM 0 HG SER A 24 99.227 12.976 1.412 1.00 0.00 H new ATOM 367 N ASN A 25 94.860 14.126 0.242 1.00 0.00 N ATOM 368 CA ASN A 25 93.802 14.533 -0.726 1.00 0.00 C ATOM 369 C ASN A 25 94.351 14.439 -2.151 1.00 0.00 C ATOM 370 O ASN A 25 93.732 14.889 -3.096 1.00 0.00 O ATOM 371 CB ASN A 25 93.375 15.973 -0.438 1.00 0.00 C ATOM 372 CG ASN A 25 92.504 16.006 0.820 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.168 14.975 1.368 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.122 17.157 1.304 1.00 0.00 N ATOM 0 H ASN A 25 95.524 14.859 0.492 1.00 0.00 H new ATOM 0 HA ASN A 25 92.942 13.871 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.254 16.604 -0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.822 16.376 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.542 17.191 2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.404 18.023 0.844 1.00 0.00 H new ATOM 381 N ARG A 26 95.508 13.859 -2.315 1.00 0.00 N ATOM 382 CA ARG A 26 96.094 13.737 -3.679 1.00 0.00 C ATOM 383 C ARG A 26 96.376 12.265 -3.984 1.00 0.00 C ATOM 384 O ARG A 26 96.164 11.399 -3.159 1.00 0.00 O ATOM 385 CB ARG A 26 97.400 14.532 -3.747 1.00 0.00 C ATOM 386 CG ARG A 26 98.451 13.867 -2.857 1.00 0.00 C ATOM 387 CD ARG A 26 99.833 14.431 -3.189 1.00 0.00 C ATOM 388 NE ARG A 26 100.776 14.122 -2.079 1.00 0.00 N ATOM 389 CZ ARG A 26 101.962 14.668 -2.058 1.00 0.00 C ATOM 390 NH1 ARG A 26 102.516 15.065 -3.171 1.00 0.00 N ATOM 391 NH2 ARG A 26 102.592 14.816 -0.926 1.00 0.00 N ATOM 0 H ARG A 26 96.073 13.464 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 26 95.391 14.131 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 26 97.756 14.578 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 26 97.230 15.559 -3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.218 14.043 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.441 12.788 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.199 14.001 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.771 15.509 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 26 100.495 13.484 -1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 26 102.023 14.949 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 26 103.442 15.492 -3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 26 102.158 14.505 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 26 103.518 15.243 -0.910 1.00 0.00 H new ATOM 405 N THR A 27 96.851 11.974 -5.164 1.00 0.00 N ATOM 406 CA THR A 27 97.144 10.558 -5.519 1.00 0.00 C ATOM 407 C THR A 27 98.657 10.361 -5.633 1.00 0.00 C ATOM 408 O THR A 27 99.378 11.236 -6.069 1.00 0.00 O ATOM 409 CB THR A 27 96.486 10.222 -6.860 1.00 0.00 C ATOM 410 OG1 THR A 27 96.326 11.413 -7.618 1.00 0.00 O ATOM 411 CG2 THR A 27 95.119 9.584 -6.613 1.00 0.00 C ATOM 0 H THR A 27 97.049 12.656 -5.897 1.00 0.00 H new ATOM 0 HA THR A 27 96.749 9.901 -4.744 1.00 0.00 H new ATOM 0 HB THR A 27 97.116 9.523 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 27 95.906 11.200 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.651 9.345 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.244 8.671 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.486 10.281 -6.063 1.00 0.00 H new ATOM 419 N LEU A 28 99.142 9.214 -5.244 1.00 0.00 N ATOM 420 CA LEU A 28 100.607 8.954 -5.331 1.00 0.00 C ATOM 421 C LEU A 28 100.847 7.706 -6.183 1.00 0.00 C ATOM 422 O LEU A 28 100.000 6.843 -6.284 1.00 0.00 O ATOM 423 CB LEU A 28 101.168 8.726 -3.924 1.00 0.00 C ATOM 424 CG LEU A 28 101.604 10.063 -3.323 1.00 0.00 C ATOM 425 CD1 LEU A 28 100.370 10.915 -3.023 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.376 9.809 -2.026 1.00 0.00 C ATOM 0 H LEU A 28 98.587 8.445 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 28 101.105 9.810 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.412 8.260 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.015 8.041 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 28 102.244 10.589 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 28 100.681 11.868 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 28 99.819 11.095 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 99.729 10.390 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.688 10.761 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.735 9.283 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.256 9.202 -2.239 1.00 0.00 H new ATOM 438 N ALA A 29 101.992 7.600 -6.796 1.00 0.00 N ATOM 439 CA ALA A 29 102.277 6.403 -7.636 1.00 0.00 C ATOM 440 C ALA A 29 103.579 5.754 -7.159 1.00 0.00 C ATOM 441 O ALA A 29 104.214 5.005 -7.874 1.00 0.00 O ATOM 442 CB ALA A 29 102.415 6.828 -9.100 1.00 0.00 C ATOM 0 H ALA A 29 102.743 8.289 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 29 101.460 5.687 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.624 5.953 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.487 7.293 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.233 7.542 -9.196 1.00 0.00 H new ATOM 448 N CYS A 30 103.972 6.041 -5.949 1.00 0.00 N ATOM 449 CA CYS A 30 105.225 5.453 -5.398 1.00 0.00 C ATOM 450 C CYS A 30 105.013 5.179 -3.904 1.00 0.00 C ATOM 451 O CYS A 30 104.574 6.039 -3.167 1.00 0.00 O ATOM 452 CB CYS A 30 106.391 6.440 -5.653 1.00 0.00 C ATOM 453 SG CYS A 30 107.161 7.011 -4.107 1.00 0.00 S ATOM 0 H CYS A 30 103.474 6.663 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 30 105.475 4.510 -5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.144 5.956 -6.275 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.021 7.300 -6.211 1.00 0.00 H new ATOM 0 HG CYS A 30 106.257 7.092 -3.176 1.00 0.00 H new ATOM 459 N PHE A 31 105.311 3.991 -3.446 1.00 0.00 N ATOM 460 CA PHE A 31 105.104 3.697 -1.999 1.00 0.00 C ATOM 461 C PHE A 31 106.183 2.742 -1.484 1.00 0.00 C ATOM 462 O PHE A 31 106.904 2.115 -2.242 1.00 0.00 O ATOM 463 CB PHE A 31 103.736 3.043 -1.783 1.00 0.00 C ATOM 464 CG PHE A 31 102.701 3.657 -2.694 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.791 3.484 -4.080 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.638 4.388 -2.150 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.823 4.042 -4.920 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.667 4.942 -2.987 1.00 0.00 C ATOM 469 CZ PHE A 31 100.758 4.772 -4.373 1.00 0.00 C ATOM 0 H PHE A 31 105.684 3.222 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 31 105.158 4.640 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.805 1.972 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.430 3.163 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.609 2.919 -4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.569 4.524 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.895 3.911 -5.990 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.846 5.502 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.009 5.203 -5.021 1.00 0.00 H new ATOM 479 N ALA A 32 106.282 2.622 -0.189 1.00 0.00 N ATOM 480 CA ALA A 32 107.287 1.710 0.414 1.00 0.00 C ATOM 481 C ALA A 32 106.577 0.737 1.355 1.00 0.00 C ATOM 482 O ALA A 32 106.193 1.092 2.453 1.00 0.00 O ATOM 483 CB ALA A 32 108.305 2.527 1.213 1.00 0.00 C ATOM 0 H ALA A 32 105.701 3.124 0.483 1.00 0.00 H new ATOM 0 HA ALA A 32 107.800 1.159 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.042 1.857 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.807 3.232 0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.792 3.075 2.004 1.00 0.00 H new ATOM 489 N ILE A 33 106.401 -0.487 0.942 1.00 0.00 N ATOM 490 CA ILE A 33 105.723 -1.470 1.829 1.00 0.00 C ATOM 491 C ILE A 33 106.737 -1.969 2.859 1.00 0.00 C ATOM 492 O ILE A 33 107.368 -2.989 2.679 1.00 0.00 O ATOM 493 CB ILE A 33 105.194 -2.642 0.993 1.00 0.00 C ATOM 494 CG1 ILE A 33 103.883 -2.231 0.321 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.939 -3.855 1.892 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.799 -2.866 -1.069 1.00 0.00 C ATOM 0 H ILE A 33 106.696 -0.847 0.034 1.00 0.00 H new ATOM 0 HA ILE A 33 104.880 -1.002 2.338 1.00 0.00 H new ATOM 0 HB ILE A 33 105.934 -2.905 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.036 -2.548 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 33 103.829 -1.145 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.564 -4.682 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.870 -4.152 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.202 -3.596 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 33 102.864 -2.573 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.639 -2.527 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.834 -3.951 -0.976 1.00 0.00 H new ATOM 508 N TYR A 34 106.895 -1.251 3.936 1.00 0.00 N ATOM 509 CA TYR A 34 107.871 -1.672 4.978 1.00 0.00 C ATOM 510 C TYR A 34 107.247 -2.775 5.816 1.00 0.00 C ATOM 511 O TYR A 34 106.384 -2.539 6.633 1.00 0.00 O ATOM 512 CB TYR A 34 108.212 -0.475 5.870 1.00 0.00 C ATOM 513 CG TYR A 34 108.896 -0.941 7.138 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.717 -2.078 7.123 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.717 -0.227 8.330 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.355 -2.495 8.297 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.353 -0.648 9.502 1.00 0.00 C ATOM 518 CZ TYR A 34 110.173 -1.782 9.487 1.00 0.00 C ATOM 519 OH TYR A 34 110.804 -2.193 10.643 1.00 0.00 O ATOM 0 H TYR A 34 106.389 -0.389 4.139 1.00 0.00 H new ATOM 0 HA TYR A 34 108.784 -2.038 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.861 0.215 5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.303 0.072 6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 34 109.857 -2.631 6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.087 0.650 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 34 110.989 -3.369 8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.211 -0.097 10.420 1.00 0.00 H new ATOM 0 HH TYR A 34 111.392 -1.479 10.967 1.00 0.00 H new ATOM 529 N THR A 35 107.669 -3.983 5.615 1.00 0.00 N ATOM 530 CA THR A 35 107.086 -5.097 6.398 1.00 0.00 C ATOM 531 C THR A 35 108.204 -6.031 6.843 1.00 0.00 C ATOM 532 O THR A 35 109.374 -5.762 6.645 1.00 0.00 O ATOM 533 CB THR A 35 106.087 -5.856 5.524 1.00 0.00 C ATOM 534 OG1 THR A 35 106.794 -6.682 4.609 1.00 0.00 O ATOM 535 CG2 THR A 35 105.226 -4.854 4.750 1.00 0.00 C ATOM 0 H THR A 35 108.390 -4.248 4.945 1.00 0.00 H new ATOM 0 HA THR A 35 106.571 -4.708 7.276 1.00 0.00 H new ATOM 0 HB THR A 35 105.447 -6.475 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.565 -6.424 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.513 -5.393 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.686 -4.219 5.453 1.00 0.00 H new ATOM 0 HG23 THR A 35 105.865 -4.236 4.120 1.00 0.00 H new ATOM 543 N THR A 36 107.858 -7.131 7.437 1.00 0.00 N ATOM 544 CA THR A 36 108.909 -8.077 7.884 1.00 0.00 C ATOM 545 C THR A 36 109.384 -8.864 6.661 1.00 0.00 C ATOM 546 O THR A 36 108.784 -8.800 5.606 1.00 0.00 O ATOM 547 CB THR A 36 108.356 -9.024 8.963 1.00 0.00 C ATOM 548 OG1 THR A 36 108.032 -10.271 8.370 1.00 0.00 O ATOM 549 CG2 THR A 36 107.099 -8.426 9.619 1.00 0.00 C ATOM 0 H THR A 36 106.898 -7.416 7.632 1.00 0.00 H new ATOM 0 HA THR A 36 109.745 -7.534 8.325 1.00 0.00 H new ATOM 0 HB THR A 36 109.116 -9.163 9.732 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.081 -10.463 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 36 106.724 -9.112 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 36 107.350 -7.472 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.332 -8.270 8.861 1.00 0.00 H new ATOM 557 N LYS A 37 110.466 -9.579 6.773 1.00 0.00 N ATOM 558 CA LYS A 37 110.981 -10.334 5.600 1.00 0.00 C ATOM 559 C LYS A 37 109.909 -11.284 5.053 1.00 0.00 C ATOM 560 O LYS A 37 109.646 -11.318 3.867 1.00 0.00 O ATOM 561 CB LYS A 37 112.206 -11.142 6.032 1.00 0.00 C ATOM 562 CG LYS A 37 111.847 -12.011 7.239 1.00 0.00 C ATOM 563 CD LYS A 37 113.127 -12.561 7.871 1.00 0.00 C ATOM 564 CE LYS A 37 112.787 -13.773 8.740 1.00 0.00 C ATOM 565 NZ LYS A 37 112.884 -15.015 7.923 1.00 0.00 N ATOM 0 H LYS A 37 111.016 -9.673 7.627 1.00 0.00 H new ATOM 0 HA LYS A 37 111.250 -9.629 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.550 -11.769 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.026 -10.471 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.291 -11.424 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.200 -12.832 6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.836 -12.845 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.607 -11.791 8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.470 -13.829 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 37 111.781 -13.671 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 112.653 -15.839 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.215 -14.961 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 113.852 -15.114 7.555 1.00 0.00 H new ATOM 579 N GLU A 38 109.305 -12.070 5.901 1.00 0.00 N ATOM 580 CA GLU A 38 108.272 -13.032 5.429 1.00 0.00 C ATOM 581 C GLU A 38 107.115 -12.295 4.745 1.00 0.00 C ATOM 582 O GLU A 38 106.325 -12.890 4.040 1.00 0.00 O ATOM 583 CB GLU A 38 107.735 -13.826 6.623 1.00 0.00 C ATOM 584 CG GLU A 38 107.021 -12.879 7.588 1.00 0.00 C ATOM 585 CD GLU A 38 106.143 -13.688 8.544 1.00 0.00 C ATOM 586 OE1 GLU A 38 105.402 -14.531 8.067 1.00 0.00 O ATOM 587 OE2 GLU A 38 106.228 -13.451 9.738 1.00 0.00 O ATOM 0 H GLU A 38 109.484 -12.087 6.905 1.00 0.00 H new ATOM 0 HA GLU A 38 108.729 -13.708 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.047 -14.598 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 38 108.554 -14.333 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.752 -12.299 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 38 106.411 -12.168 7.031 1.00 0.00 H new ATOM 594 N LYS A 39 106.997 -11.011 4.948 1.00 0.00 N ATOM 595 CA LYS A 39 105.879 -10.261 4.307 1.00 0.00 C ATOM 596 C LYS A 39 106.338 -9.684 2.966 1.00 0.00 C ATOM 597 O LYS A 39 105.839 -10.051 1.920 1.00 0.00 O ATOM 598 CB LYS A 39 105.438 -9.123 5.229 1.00 0.00 C ATOM 599 CG LYS A 39 104.814 -9.709 6.497 1.00 0.00 C ATOM 600 CD LYS A 39 104.363 -8.576 7.419 1.00 0.00 C ATOM 601 CE LYS A 39 103.050 -7.980 6.906 1.00 0.00 C ATOM 602 NZ LYS A 39 101.940 -8.355 7.828 1.00 0.00 N ATOM 0 H LYS A 39 107.623 -10.451 5.527 1.00 0.00 H new ATOM 0 HA LYS A 39 105.043 -10.939 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.292 -8.497 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 39 104.718 -8.484 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.964 -10.340 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.537 -10.343 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.230 -8.952 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 39 105.131 -7.804 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.132 -6.895 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.841 -8.345 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.185 -8.825 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.299 -9.003 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.561 -7.499 8.281 1.00 0.00 H new ATOM 616 N ALA A 40 107.277 -8.779 2.985 1.00 0.00 N ATOM 617 CA ALA A 40 107.756 -8.177 1.707 1.00 0.00 C ATOM 618 C ALA A 40 108.077 -9.285 0.702 1.00 0.00 C ATOM 619 O ALA A 40 108.021 -9.084 -0.495 1.00 0.00 O ATOM 620 CB ALA A 40 109.019 -7.354 1.970 1.00 0.00 C ATOM 0 H ALA A 40 107.733 -8.430 3.828 1.00 0.00 H new ATOM 0 HA ALA A 40 106.976 -7.533 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.368 -6.915 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.794 -6.560 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.796 -8.000 2.380 1.00 0.00 H new ATOM 626 N ALA A 41 108.422 -10.450 1.175 1.00 0.00 N ATOM 627 CA ALA A 41 108.757 -11.563 0.241 1.00 0.00 C ATOM 628 C ALA A 41 107.609 -11.782 -0.747 1.00 0.00 C ATOM 629 O ALA A 41 107.812 -11.838 -1.944 1.00 0.00 O ATOM 630 CB ALA A 41 108.990 -12.846 1.041 1.00 0.00 C ATOM 0 H ALA A 41 108.487 -10.680 2.167 1.00 0.00 H new ATOM 0 HA ALA A 41 109.660 -11.305 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.235 -13.660 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 41 109.815 -12.696 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.087 -13.097 1.597 1.00 0.00 H new ATOM 636 N LEU A 42 106.410 -11.916 -0.259 1.00 0.00 N ATOM 637 CA LEU A 42 105.255 -12.142 -1.175 1.00 0.00 C ATOM 638 C LEU A 42 104.881 -10.829 -1.874 1.00 0.00 C ATOM 639 O LEU A 42 104.421 -10.826 -2.999 1.00 0.00 O ATOM 640 CB LEU A 42 104.062 -12.679 -0.371 1.00 0.00 C ATOM 641 CG LEU A 42 103.307 -11.525 0.289 1.00 0.00 C ATOM 642 CD1 LEU A 42 102.168 -11.081 -0.628 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.733 -11.992 1.628 1.00 0.00 C ATOM 0 H LEU A 42 106.177 -11.879 0.733 1.00 0.00 H new ATOM 0 HA LEU A 42 105.529 -12.874 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.392 -13.233 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 42 104.412 -13.377 0.390 1.00 0.00 H new ATOM 0 HG LEU A 42 103.987 -10.690 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.626 -10.258 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.577 -10.752 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.487 -11.916 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.194 -11.170 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.050 -12.825 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.545 -12.315 2.279 1.00 0.00 H new ATOM 655 N LEU A 43 105.077 -9.715 -1.222 1.00 0.00 N ATOM 656 CA LEU A 43 104.735 -8.408 -1.858 1.00 0.00 C ATOM 657 C LEU A 43 105.573 -8.230 -3.124 1.00 0.00 C ATOM 658 O LEU A 43 105.222 -7.488 -4.019 1.00 0.00 O ATOM 659 CB LEU A 43 105.053 -7.266 -0.887 1.00 0.00 C ATOM 660 CG LEU A 43 103.821 -6.934 -0.047 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.667 -6.541 -0.969 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.420 -8.154 0.784 1.00 0.00 C ATOM 0 H LEU A 43 105.458 -9.652 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 43 103.674 -8.393 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.880 -7.551 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.373 -6.384 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 43 104.052 -6.104 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.787 -6.304 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.952 -5.668 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.438 -7.370 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.541 -7.914 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.190 -8.987 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.243 -8.432 1.443 1.00 0.00 H new ATOM 674 N TYR A 44 106.686 -8.904 -3.195 1.00 0.00 N ATOM 675 CA TYR A 44 107.568 -8.782 -4.389 1.00 0.00 C ATOM 676 C TYR A 44 106.874 -9.385 -5.615 1.00 0.00 C ATOM 677 O TYR A 44 106.569 -8.697 -6.569 1.00 0.00 O ATOM 678 CB TYR A 44 108.868 -9.537 -4.115 1.00 0.00 C ATOM 679 CG TYR A 44 110.022 -8.872 -4.826 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.234 -9.111 -6.188 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.900 -8.041 -4.116 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.316 -8.515 -6.843 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.992 -7.452 -4.773 1.00 0.00 C ATOM 684 CZ TYR A 44 112.194 -7.689 -6.137 1.00 0.00 C ATOM 685 OH TYR A 44 113.262 -7.112 -6.787 1.00 0.00 O ATOM 0 H TYR A 44 107.025 -9.539 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 44 107.779 -7.731 -4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.061 -9.565 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.773 -10.570 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.562 -9.756 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.737 -7.854 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.473 -8.694 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.674 -6.818 -4.227 1.00 0.00 H new ATOM 0 HH TYR A 44 113.060 -6.172 -6.977 1.00 0.00 H new ATOM 695 N LYS A 45 106.631 -10.668 -5.599 1.00 0.00 N ATOM 696 CA LYS A 45 105.969 -11.319 -6.765 1.00 0.00 C ATOM 697 C LYS A 45 104.533 -10.809 -6.912 1.00 0.00 C ATOM 698 O LYS A 45 103.945 -10.884 -7.973 1.00 0.00 O ATOM 699 CB LYS A 45 105.947 -12.835 -6.559 1.00 0.00 C ATOM 700 CG LYS A 45 107.378 -13.374 -6.576 1.00 0.00 C ATOM 701 CD LYS A 45 107.352 -14.886 -6.816 1.00 0.00 C ATOM 702 CE LYS A 45 108.764 -15.377 -7.138 1.00 0.00 C ATOM 703 NZ LYS A 45 109.589 -15.368 -5.897 1.00 0.00 N ATOM 0 H LYS A 45 106.863 -11.294 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 45 106.528 -11.076 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.468 -13.077 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.359 -13.311 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.954 -12.881 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.872 -13.154 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 45 106.970 -15.398 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.677 -15.123 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.724 -16.384 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.219 -14.738 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 110.544 -15.718 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.651 -14.398 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.148 -15.982 -5.183 1.00 0.00 H new ATOM 717 N LYS A 46 103.955 -10.295 -5.860 1.00 0.00 N ATOM 718 CA LYS A 46 102.555 -9.792 -5.959 1.00 0.00 C ATOM 719 C LYS A 46 102.555 -8.387 -6.565 1.00 0.00 C ATOM 720 O LYS A 46 102.250 -8.205 -7.727 1.00 0.00 O ATOM 721 CB LYS A 46 101.926 -9.748 -4.567 1.00 0.00 C ATOM 722 CG LYS A 46 100.636 -10.574 -4.564 1.00 0.00 C ATOM 723 CD LYS A 46 100.979 -12.056 -4.410 1.00 0.00 C ATOM 724 CE LYS A 46 99.690 -12.880 -4.406 1.00 0.00 C ATOM 725 NZ LYS A 46 99.898 -14.131 -5.190 1.00 0.00 N ATOM 0 H LYS A 46 104.389 -10.202 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 46 101.977 -10.461 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.624 -10.141 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.711 -8.717 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 46 99.988 -10.253 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 46 100.086 -10.412 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.626 -12.377 -5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 46 101.530 -12.218 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.404 -13.123 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 46 98.873 -12.300 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.022 -14.692 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 100.152 -13.889 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.666 -14.686 -4.761 1.00 0.00 H new ATOM 739 N ILE A 47 102.895 -7.394 -5.789 1.00 0.00 N ATOM 740 CA ILE A 47 102.914 -6.002 -6.321 1.00 0.00 C ATOM 741 C ILE A 47 103.541 -5.997 -7.719 1.00 0.00 C ATOM 742 O ILE A 47 103.222 -5.171 -8.550 1.00 0.00 O ATOM 743 CB ILE A 47 103.751 -5.117 -5.397 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.134 -5.104 -3.987 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.820 -3.695 -5.975 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.990 -4.092 -3.907 1.00 0.00 C ATOM 0 H ILE A 47 103.161 -7.487 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 47 101.894 -5.622 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 47 104.763 -5.515 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.765 -6.099 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.899 -4.854 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.417 -3.063 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.279 -3.726 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.813 -3.286 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.568 -4.099 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.369 -3.096 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.217 -4.359 -4.627 1.00 0.00 H new ATOM 758 N MET A 48 104.436 -6.912 -7.981 1.00 0.00 N ATOM 759 CA MET A 48 105.096 -6.964 -9.319 1.00 0.00 C ATOM 760 C MET A 48 104.070 -6.694 -10.425 1.00 0.00 C ATOM 761 O MET A 48 103.970 -5.595 -10.935 1.00 0.00 O ATOM 762 CB MET A 48 105.713 -8.348 -9.527 1.00 0.00 C ATOM 763 CG MET A 48 107.222 -8.208 -9.737 1.00 0.00 C ATOM 764 SD MET A 48 108.038 -9.763 -9.301 1.00 0.00 S ATOM 765 CE MET A 48 109.635 -9.404 -10.070 1.00 0.00 C ATOM 0 H MET A 48 104.740 -7.629 -7.323 1.00 0.00 H new ATOM 0 HA MET A 48 105.874 -6.202 -9.361 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.513 -8.981 -8.662 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.259 -8.834 -10.390 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.433 -7.953 -10.775 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.612 -7.396 -9.123 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.309 -10.248 -9.920 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.495 -9.237 -11.138 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.065 -8.511 -9.616 1.00 0.00 H new ATOM 775 N GLU A 49 103.315 -7.688 -10.807 1.00 0.00 N ATOM 776 CA GLU A 49 102.305 -7.489 -11.888 1.00 0.00 C ATOM 777 C GLU A 49 101.046 -6.834 -11.312 1.00 0.00 C ATOM 778 O GLU A 49 100.035 -6.722 -11.978 1.00 0.00 O ATOM 779 CB GLU A 49 101.940 -8.845 -12.496 1.00 0.00 C ATOM 780 CG GLU A 49 102.579 -8.972 -13.881 1.00 0.00 C ATOM 781 CD GLU A 49 101.949 -10.149 -14.627 1.00 0.00 C ATOM 782 OE1 GLU A 49 100.930 -10.639 -14.170 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.497 -10.541 -15.644 1.00 0.00 O ATOM 0 H GLU A 49 103.353 -8.630 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 49 102.725 -6.841 -12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.286 -9.651 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.857 -8.941 -12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.435 -8.051 -14.446 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.654 -9.122 -13.785 1.00 0.00 H new ATOM 790 N LYS A 50 101.095 -6.402 -10.083 1.00 0.00 N ATOM 791 CA LYS A 50 99.899 -5.759 -9.470 1.00 0.00 C ATOM 792 C LYS A 50 99.841 -4.284 -9.877 1.00 0.00 C ATOM 793 O LYS A 50 98.872 -3.826 -10.449 1.00 0.00 O ATOM 794 CB LYS A 50 99.996 -5.860 -7.948 1.00 0.00 C ATOM 795 CG LYS A 50 98.598 -5.757 -7.337 1.00 0.00 C ATOM 796 CD LYS A 50 98.662 -6.125 -5.857 1.00 0.00 C ATOM 797 CE LYS A 50 99.236 -7.535 -5.704 1.00 0.00 C ATOM 798 NZ LYS A 50 98.706 -8.407 -6.791 1.00 0.00 N ATOM 0 H LYS A 50 101.912 -6.466 -9.476 1.00 0.00 H new ATOM 0 HA LYS A 50 98.998 -6.265 -9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 50 100.459 -6.805 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.633 -5.065 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.212 -4.745 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.911 -6.423 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.283 -5.408 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.666 -6.077 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.325 -7.503 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.967 -7.945 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.647 -9.388 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.759 -8.079 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.342 -8.363 -7.613 1.00 0.00 H new ATOM 812 N TYR A 51 100.868 -3.536 -9.578 1.00 0.00 N ATOM 813 CA TYR A 51 100.871 -2.090 -9.938 1.00 0.00 C ATOM 814 C TYR A 51 102.025 -1.793 -10.889 1.00 0.00 C ATOM 815 O TYR A 51 102.584 -0.718 -10.846 1.00 0.00 O ATOM 816 CB TYR A 51 101.083 -1.251 -8.675 1.00 0.00 C ATOM 817 CG TYR A 51 99.939 -1.453 -7.723 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.928 -2.559 -6.867 1.00 0.00 C ATOM 819 CD2 TYR A 51 98.889 -0.535 -7.698 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.860 -2.744 -5.983 1.00 0.00 C ATOM 821 CE2 TYR A 51 97.820 -0.717 -6.819 1.00 0.00 C ATOM 822 CZ TYR A 51 97.803 -1.822 -5.959 1.00 0.00 C ATOM 823 OH TYR A 51 96.748 -2.004 -5.089 1.00 0.00 O ATOM 0 H TYR A 51 101.706 -3.865 -9.099 1.00 0.00 H new ATOM 0 HA TYR A 51 99.919 -1.847 -10.410 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.020 -1.533 -8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.165 -0.197 -8.939 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.742 -3.268 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 51 98.903 0.318 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.849 -3.596 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.007 -0.006 -6.802 1.00 0.00 H new ATOM 0 HH TYR A 51 96.103 -1.275 -5.200 1.00 0.00 H new ATOM 833 N SER A 52 102.414 -2.724 -11.725 1.00 0.00 N ATOM 834 CA SER A 52 103.567 -2.450 -12.635 1.00 0.00 C ATOM 835 C SER A 52 104.647 -1.768 -11.797 1.00 0.00 C ATOM 836 O SER A 52 105.135 -0.706 -12.126 1.00 0.00 O ATOM 837 CB SER A 52 103.128 -1.529 -13.772 1.00 0.00 C ATOM 838 OG SER A 52 102.853 -2.310 -14.928 1.00 0.00 O ATOM 0 H SER A 52 101.990 -3.647 -11.816 1.00 0.00 H new ATOM 0 HA SER A 52 103.942 -3.373 -13.076 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.241 -0.967 -13.479 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.910 -0.801 -13.988 1.00 0.00 H new ATOM 0 HG SER A 52 102.569 -1.723 -15.660 1.00 0.00 H new ATOM 844 N VAL A 53 104.955 -2.377 -10.680 1.00 0.00 N ATOM 845 CA VAL A 53 105.945 -1.830 -9.705 1.00 0.00 C ATOM 846 C VAL A 53 106.884 -0.793 -10.324 1.00 0.00 C ATOM 847 O VAL A 53 107.157 0.229 -9.728 1.00 0.00 O ATOM 848 CB VAL A 53 106.773 -2.984 -9.138 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.904 -3.810 -8.190 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.264 -3.871 -10.284 1.00 0.00 C ATOM 0 H VAL A 53 104.544 -3.266 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 53 105.383 -1.324 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 53 107.631 -2.587 -8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.491 -4.634 -7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.553 -3.178 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.048 -4.208 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.854 -4.694 -9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.408 -4.271 -10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.880 -3.281 -10.962 1.00 0.00 H new ATOM 860 N THR A 54 107.409 -1.048 -11.486 1.00 0.00 N ATOM 861 CA THR A 54 108.356 -0.072 -12.099 1.00 0.00 C ATOM 862 C THR A 54 109.716 -0.207 -11.405 1.00 0.00 C ATOM 863 O THR A 54 110.671 0.448 -11.766 1.00 0.00 O ATOM 864 CB THR A 54 107.830 1.357 -11.923 1.00 0.00 C ATOM 865 OG1 THR A 54 106.432 1.324 -11.666 1.00 0.00 O ATOM 866 CG2 THR A 54 108.095 2.159 -13.196 1.00 0.00 C ATOM 0 H THR A 54 107.227 -1.886 -12.039 1.00 0.00 H new ATOM 0 HA THR A 54 108.455 -0.279 -13.165 1.00 0.00 H new ATOM 0 HB THR A 54 108.341 1.828 -11.083 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.005 0.675 -12.263 1.00 0.00 H new ATOM 0 HG21 THR A 54 107.721 3.175 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.167 2.189 -13.391 1.00 0.00 H new ATOM 0 HG23 THR A 54 107.586 1.686 -14.036 1.00 0.00 H new ATOM 874 N PHE A 55 109.796 -1.064 -10.415 1.00 0.00 N ATOM 875 CA PHE A 55 111.061 -1.287 -9.669 1.00 0.00 C ATOM 876 C PHE A 55 110.711 -1.808 -8.274 1.00 0.00 C ATOM 877 O PHE A 55 110.046 -1.142 -7.501 1.00 0.00 O ATOM 878 CB PHE A 55 111.854 0.013 -9.526 1.00 0.00 C ATOM 879 CG PHE A 55 113.017 -0.240 -8.606 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.026 -1.125 -8.999 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.090 0.400 -7.365 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.110 -1.370 -8.154 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.175 0.156 -6.518 1.00 0.00 C ATOM 884 CZ PHE A 55 115.187 -0.728 -6.912 1.00 0.00 C ATOM 0 H PHE A 55 109.012 -1.630 -10.090 1.00 0.00 H new ATOM 0 HA PHE A 55 111.672 -2.004 -10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.207 0.351 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.219 0.803 -9.126 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.967 -1.620 -9.957 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.309 1.082 -7.061 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.888 -2.054 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.233 0.650 -5.559 1.00 0.00 H new ATOM 0 HZ PHE A 55 116.026 -0.914 -6.258 1.00 0.00 H new ATOM 894 N ILE A 56 111.154 -2.990 -7.946 1.00 0.00 N ATOM 895 CA ILE A 56 110.858 -3.555 -6.600 1.00 0.00 C ATOM 896 C ILE A 56 112.180 -3.999 -5.968 1.00 0.00 C ATOM 897 O ILE A 56 112.875 -4.844 -6.494 1.00 0.00 O ATOM 898 CB ILE A 56 109.878 -4.743 -6.736 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.996 -5.694 -5.535 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.179 -5.531 -8.016 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.746 -5.615 -4.664 1.00 0.00 C ATOM 0 H ILE A 56 111.710 -3.591 -8.554 1.00 0.00 H new ATOM 0 HA ILE A 56 110.386 -2.807 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 56 108.867 -4.337 -6.775 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.137 -6.716 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 56 110.875 -5.435 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.483 -6.365 -8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.069 -4.876 -8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.199 -5.912 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.848 -6.295 -3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 56 108.622 -4.596 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.873 -5.897 -5.253 1.00 0.00 H new ATOM 913 N SER A 57 112.540 -3.426 -4.851 1.00 0.00 N ATOM 914 CA SER A 57 113.823 -3.812 -4.201 1.00 0.00 C ATOM 915 C SER A 57 113.581 -4.227 -2.750 1.00 0.00 C ATOM 916 O SER A 57 113.007 -3.495 -1.969 1.00 0.00 O ATOM 917 CB SER A 57 114.776 -2.620 -4.219 1.00 0.00 C ATOM 918 OG SER A 57 116.118 -3.089 -4.170 1.00 0.00 O ATOM 0 H SER A 57 112.002 -2.710 -4.363 1.00 0.00 H new ATOM 0 HA SER A 57 114.254 -4.651 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.619 -2.028 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.576 -1.967 -3.369 1.00 0.00 H new ATOM 0 HG SER A 57 116.591 -2.650 -3.433 1.00 0.00 H new ATOM 924 N ARG A 58 114.041 -5.390 -2.377 1.00 0.00 N ATOM 925 CA ARG A 58 113.869 -5.846 -0.971 1.00 0.00 C ATOM 926 C ARG A 58 115.115 -5.436 -0.183 1.00 0.00 C ATOM 927 O ARG A 58 116.187 -5.973 -0.386 1.00 0.00 O ATOM 928 CB ARG A 58 113.718 -7.369 -0.943 1.00 0.00 C ATOM 929 CG ARG A 58 112.805 -7.774 0.216 1.00 0.00 C ATOM 930 CD ARG A 58 112.008 -9.022 -0.172 1.00 0.00 C ATOM 931 NE ARG A 58 112.877 -9.942 -0.961 1.00 0.00 N ATOM 932 CZ ARG A 58 113.666 -10.780 -0.347 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.184 -11.886 0.149 1.00 0.00 N ATOM 934 NH2 ARG A 58 114.939 -10.512 -0.231 1.00 0.00 N ATOM 0 H ARG A 58 114.530 -6.045 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 58 112.979 -5.396 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.302 -7.720 -1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.695 -7.839 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.399 -7.972 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.126 -6.957 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.644 -9.527 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.133 -8.740 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 58 112.854 -9.916 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.190 -12.096 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.801 -12.541 0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 58 115.316 -9.648 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 58 115.556 -11.167 0.249 1.00 0.00 H new ATOM 948 N HIS A 59 114.996 -4.474 0.694 1.00 0.00 N ATOM 949 CA HIS A 59 116.194 -4.027 1.465 1.00 0.00 C ATOM 950 C HIS A 59 116.153 -4.576 2.891 1.00 0.00 C ATOM 951 O HIS A 59 115.157 -5.109 3.340 1.00 0.00 O ATOM 952 CB HIS A 59 116.225 -2.499 1.518 1.00 0.00 C ATOM 953 CG HIS A 59 116.393 -1.948 0.129 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.508 -1.214 -0.244 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.596 -2.015 -0.987 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.354 -0.872 -1.536 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.205 -1.335 -2.038 1.00 0.00 N ATOM 0 H HIS A 59 114.129 -3.982 0.909 1.00 0.00 H new ATOM 0 HA HIS A 59 117.087 -4.403 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.303 -2.122 1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.044 -2.164 2.154 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.301 -0.976 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.642 -2.518 -1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.072 -0.294 -2.099 1.00 0.00 H new ATOM 965 N ASN A 60 117.238 -4.436 3.606 1.00 0.00 N ATOM 966 CA ASN A 60 117.294 -4.932 5.010 1.00 0.00 C ATOM 967 C ASN A 60 117.711 -3.780 5.929 1.00 0.00 C ATOM 968 O ASN A 60 118.769 -3.202 5.771 1.00 0.00 O ATOM 969 CB ASN A 60 118.326 -6.057 5.116 1.00 0.00 C ATOM 970 CG ASN A 60 117.618 -7.412 5.118 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.559 -7.581 4.376 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 118.033 -8.327 5.800 1.00 0.00 N flip ATOM 0 H ASN A 60 118.095 -3.995 3.273 1.00 0.00 H new ATOM 0 HA ASN A 60 116.314 -5.309 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.024 -6.002 4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.911 -5.941 6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.861 -8.195 6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.553 -9.227 5.792 1.00 0.00 H new ATOM 979 N SER A 61 116.891 -3.439 6.886 1.00 0.00 N ATOM 980 CA SER A 61 117.249 -2.323 7.806 1.00 0.00 C ATOM 981 C SER A 61 117.788 -2.891 9.121 1.00 0.00 C ATOM 982 O SER A 61 118.866 -2.544 9.561 1.00 0.00 O ATOM 983 CB SER A 61 116.009 -1.474 8.084 1.00 0.00 C ATOM 984 OG SER A 61 114.931 -2.323 8.455 1.00 0.00 O ATOM 0 H SER A 61 115.992 -3.884 7.070 1.00 0.00 H new ATOM 0 HA SER A 61 118.016 -1.704 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 61 116.215 -0.759 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.744 -0.896 7.198 1.00 0.00 H new ATOM 0 HG SER A 61 114.186 -1.780 8.788 1.00 0.00 H new ATOM 990 N TYR A 62 117.048 -3.760 9.754 1.00 0.00 N ATOM 991 CA TYR A 62 117.524 -4.343 11.041 1.00 0.00 C ATOM 992 C TYR A 62 116.981 -5.767 11.190 1.00 0.00 C ATOM 993 O TYR A 62 117.689 -6.735 10.996 1.00 0.00 O ATOM 994 CB TYR A 62 117.027 -3.484 12.204 1.00 0.00 C ATOM 995 CG TYR A 62 117.589 -2.089 12.077 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.989 -1.170 11.207 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.711 -1.713 12.825 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.511 0.123 11.088 1.00 0.00 C ATOM 999 CE2 TYR A 62 119.231 -0.422 12.705 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.632 0.498 11.837 1.00 0.00 C ATOM 1001 OH TYR A 62 119.146 1.773 11.719 1.00 0.00 O ATOM 0 H TYR A 62 116.137 -4.091 9.437 1.00 0.00 H new ATOM 0 HA TYR A 62 118.614 -4.368 11.047 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.938 -3.450 12.205 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.333 -3.926 13.153 1.00 0.00 H new ATOM 0 HD1 TYR A 62 116.124 -1.459 10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.175 -2.421 13.495 1.00 0.00 H new ATOM 0 HE1 TYR A 62 117.048 0.832 10.418 1.00 0.00 H new ATOM 0 HE2 TYR A 62 120.097 -0.133 13.283 1.00 0.00 H new ATOM 0 HH TYR A 62 119.340 1.962 10.777 1.00 0.00 H new ATOM 1011 N ASN A 63 115.730 -5.899 11.534 1.00 0.00 N ATOM 1012 CA ASN A 63 115.142 -7.258 11.697 1.00 0.00 C ATOM 1013 C ASN A 63 113.982 -7.435 10.716 1.00 0.00 C ATOM 1014 O ASN A 63 113.241 -8.395 10.785 1.00 0.00 O ATOM 1015 CB ASN A 63 114.624 -7.419 13.128 1.00 0.00 C ATOM 1016 CG ASN A 63 115.531 -6.650 14.090 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.621 -7.088 14.397 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.122 -5.512 14.582 1.00 0.00 N ATOM 0 H ASN A 63 115.090 -5.125 11.709 1.00 0.00 H new ATOM 0 HA ASN A 63 115.905 -8.010 11.497 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.602 -7.047 13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.599 -8.474 13.400 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.718 -4.990 15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 63 114.206 -5.144 14.324 1.00 0.00 H new ATOM 1025 N HIS A 64 113.817 -6.515 9.805 1.00 0.00 N ATOM 1026 CA HIS A 64 112.702 -6.632 8.826 1.00 0.00 C ATOM 1027 C HIS A 64 113.136 -6.034 7.489 1.00 0.00 C ATOM 1028 O HIS A 64 114.192 -5.442 7.383 1.00 0.00 O ATOM 1029 CB HIS A 64 111.477 -5.922 9.392 1.00 0.00 C ATOM 1030 CG HIS A 64 111.071 -6.644 10.650 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.845 -8.013 10.669 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.897 -6.220 11.941 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.554 -8.358 11.937 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.571 -7.303 12.754 1.00 0.00 N ATOM 0 H HIS A 64 114.406 -5.689 9.697 1.00 0.00 H new ATOM 0 HA HIS A 64 112.445 -7.677 8.654 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.705 -4.878 9.607 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.663 -5.928 8.668 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.998 -5.199 12.278 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.333 -9.366 12.255 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.385 -7.292 13.757 1.00 0.00 H new ATOM 1042 N ASN A 65 112.361 -6.213 6.452 1.00 0.00 N ATOM 1043 CA ASN A 65 112.785 -5.683 5.124 1.00 0.00 C ATOM 1044 C ASN A 65 111.843 -4.581 4.639 1.00 0.00 C ATOM 1045 O ASN A 65 110.677 -4.537 4.981 1.00 0.00 O ATOM 1046 CB ASN A 65 112.786 -6.824 4.103 1.00 0.00 C ATOM 1047 CG ASN A 65 113.496 -8.044 4.695 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.391 -7.875 5.629 1.00 0.00 O flip ATOM 1049 ND2 ASN A 65 113.235 -9.162 4.300 1.00 0.00 N flip ATOM 0 H ASN A 65 111.463 -6.697 6.466 1.00 0.00 H new ATOM 0 HA ASN A 65 113.785 -5.261 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.763 -7.083 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.288 -6.507 3.189 1.00 0.00 H new ATOM 0 HD21 ASN A 65 112.535 -9.294 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.715 -9.969 4.698 1.00 0.00 H new ATOM 1056 N ILE A 66 112.355 -3.701 3.820 1.00 0.00 N ATOM 1057 CA ILE A 66 111.518 -2.602 3.271 1.00 0.00 C ATOM 1058 C ILE A 66 111.250 -2.886 1.794 1.00 0.00 C ATOM 1059 O ILE A 66 112.139 -2.816 0.966 1.00 0.00 O ATOM 1060 CB ILE A 66 112.264 -1.272 3.407 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.335 -0.880 4.884 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.521 -0.185 2.625 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.317 -1.802 5.609 1.00 0.00 C ATOM 0 H ILE A 66 113.326 -3.699 3.507 1.00 0.00 H new ATOM 0 HA ILE A 66 110.577 -2.541 3.818 1.00 0.00 H new ATOM 0 HB ILE A 66 113.273 -1.378 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.654 0.158 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.347 -0.953 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.053 0.761 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.469 -0.465 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.512 -0.077 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.368 -1.523 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.978 -2.834 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.305 -1.706 5.160 1.00 0.00 H new ATOM 1075 N LEU A 67 110.036 -3.221 1.458 1.00 0.00 N ATOM 1076 CA LEU A 67 109.713 -3.520 0.038 1.00 0.00 C ATOM 1077 C LEU A 67 109.523 -2.215 -0.734 1.00 0.00 C ATOM 1078 O LEU A 67 108.461 -1.625 -0.733 1.00 0.00 O ATOM 1079 CB LEU A 67 108.427 -4.346 -0.033 1.00 0.00 C ATOM 1080 CG LEU A 67 108.375 -5.085 -1.371 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.502 -6.589 -1.131 1.00 0.00 C ATOM 1082 CD2 LEU A 67 107.043 -4.792 -2.064 1.00 0.00 C ATOM 0 H LEU A 67 109.253 -3.300 2.107 1.00 0.00 H new ATOM 0 HA LEU A 67 110.533 -4.085 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.393 -5.059 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.558 -3.697 0.071 1.00 0.00 H new ATOM 0 HG LEU A 67 109.197 -4.748 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.465 -7.114 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.451 -6.800 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 107.681 -6.927 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 67 107.005 -5.318 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.222 -5.129 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.951 -3.720 -2.238 1.00 0.00 H new ATOM 1094 N PHE A 68 110.546 -1.768 -1.404 1.00 0.00 N ATOM 1095 CA PHE A 68 110.443 -0.509 -2.192 1.00 0.00 C ATOM 1096 C PHE A 68 109.741 -0.819 -3.516 1.00 0.00 C ATOM 1097 O PHE A 68 110.290 -1.490 -4.364 1.00 0.00 O ATOM 1098 CB PHE A 68 111.858 -0.001 -2.476 1.00 0.00 C ATOM 1099 CG PHE A 68 111.900 1.504 -2.384 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.276 2.164 -1.319 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.574 2.241 -3.366 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.323 3.557 -1.237 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.622 3.633 -3.284 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.996 4.294 -2.221 1.00 0.00 C ATOM 0 H PHE A 68 111.457 -2.225 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 68 109.879 0.245 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.558 -0.436 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.175 -0.321 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.758 1.596 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.057 1.732 -4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.841 4.066 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.142 4.201 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 68 112.032 5.372 -2.159 1.00 0.00 H new ATOM 1114 N PHE A 69 108.531 -0.356 -3.713 1.00 0.00 N ATOM 1115 CA PHE A 69 107.848 -0.672 -5.001 1.00 0.00 C ATOM 1116 C PHE A 69 107.200 0.576 -5.604 1.00 0.00 C ATOM 1117 O PHE A 69 106.453 1.289 -4.960 1.00 0.00 O ATOM 1118 CB PHE A 69 106.789 -1.760 -4.782 1.00 0.00 C ATOM 1119 CG PHE A 69 105.608 -1.208 -4.019 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.756 -0.823 -2.682 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.357 -1.095 -4.645 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.658 -0.324 -1.971 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.261 -0.598 -3.934 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.410 -0.213 -2.598 1.00 0.00 C ATOM 0 H PHE A 69 107.999 0.213 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 69 108.599 -1.036 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.457 -2.150 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.225 -2.594 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.718 -0.911 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.241 -1.392 -5.677 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.773 -0.025 -0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.299 -0.511 -4.417 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.562 0.170 -2.049 1.00 0.00 H new ATOM 1134 N LEU A 70 107.492 0.829 -6.851 1.00 0.00 N ATOM 1135 CA LEU A 70 106.917 2.013 -7.553 1.00 0.00 C ATOM 1136 C LEU A 70 105.603 1.618 -8.229 1.00 0.00 C ATOM 1137 O LEU A 70 105.179 0.486 -8.166 1.00 0.00 O ATOM 1138 CB LEU A 70 107.893 2.456 -8.642 1.00 0.00 C ATOM 1139 CG LEU A 70 108.334 3.900 -8.422 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.012 4.035 -7.057 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.321 4.281 -9.528 1.00 0.00 C ATOM 0 H LEU A 70 108.114 0.257 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 70 106.743 2.814 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.765 1.801 -8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.421 2.360 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 70 107.468 4.561 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.324 5.068 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.311 3.750 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.885 3.383 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.647 5.311 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.186 3.618 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.835 4.185 -10.499 1.00 0.00 H new ATOM 1153 N THR A 71 104.970 2.541 -8.899 1.00 0.00 N ATOM 1154 CA THR A 71 103.704 2.219 -9.614 1.00 0.00 C ATOM 1155 C THR A 71 103.452 3.306 -10.673 1.00 0.00 C ATOM 1156 O THR A 71 103.722 4.466 -10.433 1.00 0.00 O ATOM 1157 CB THR A 71 102.538 2.183 -8.628 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.507 3.400 -7.904 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.701 1.014 -7.654 1.00 0.00 C ATOM 0 H THR A 71 105.278 3.510 -8.982 1.00 0.00 H new ATOM 0 HA THR A 71 103.788 1.242 -10.089 1.00 0.00 H new ATOM 0 HB THR A 71 101.607 2.052 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.583 3.720 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.863 1.001 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.725 0.077 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.632 1.130 -7.099 1.00 0.00 H new ATOM 1167 N PRO A 72 102.955 2.900 -11.814 1.00 0.00 N ATOM 1168 CA PRO A 72 102.671 3.821 -12.931 1.00 0.00 C ATOM 1169 C PRO A 72 101.370 4.595 -12.691 1.00 0.00 C ATOM 1170 O PRO A 72 101.388 5.752 -12.324 1.00 0.00 O ATOM 1171 CB PRO A 72 102.535 2.892 -14.138 1.00 0.00 C ATOM 1172 CG PRO A 72 102.182 1.496 -13.575 1.00 0.00 C ATOM 1173 CD PRO A 72 102.628 1.490 -12.099 1.00 0.00 C ATOM 0 HA PRO A 72 103.446 4.577 -13.060 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.758 3.246 -14.815 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.463 2.858 -14.708 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.112 1.304 -13.657 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.690 0.712 -14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.836 1.125 -11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.491 0.842 -11.946 1.00 0.00 H new ATOM 1181 N HIS A 73 100.241 3.970 -12.906 1.00 0.00 N ATOM 1182 CA HIS A 73 98.950 4.685 -12.697 1.00 0.00 C ATOM 1183 C HIS A 73 98.978 5.395 -11.341 1.00 0.00 C ATOM 1184 O HIS A 73 99.924 5.277 -10.589 1.00 0.00 O ATOM 1185 CB HIS A 73 97.780 3.691 -12.748 1.00 0.00 C ATOM 1186 CG HIS A 73 97.990 2.578 -11.756 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.135 2.376 -10.680 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.941 1.592 -11.667 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.587 1.307 -9.997 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.685 0.791 -10.557 1.00 0.00 N ATOM 0 H HIS A 73 100.159 3.002 -13.215 1.00 0.00 H new ATOM 0 HA HIS A 73 98.814 5.422 -13.489 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.846 4.209 -12.530 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.689 3.278 -13.753 1.00 0.00 H new ATOM 0 HD1 HIS A 73 96.314 2.936 -10.449 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.763 1.458 -12.354 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.119 0.915 -9.106 1.00 0.00 H new ATOM 1198 N ARG A 74 97.957 6.142 -11.027 1.00 0.00 N ATOM 1199 CA ARG A 74 97.941 6.862 -9.722 1.00 0.00 C ATOM 1200 C ARG A 74 96.997 6.150 -8.754 1.00 0.00 C ATOM 1201 O ARG A 74 95.980 5.611 -9.143 1.00 0.00 O ATOM 1202 CB ARG A 74 97.471 8.302 -9.937 1.00 0.00 C ATOM 1203 CG ARG A 74 98.688 9.229 -9.996 1.00 0.00 C ATOM 1204 CD ARG A 74 98.294 10.549 -10.658 1.00 0.00 C ATOM 1205 NE ARG A 74 99.095 11.660 -10.071 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.896 12.359 -10.829 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.103 11.930 -11.076 1.00 0.00 N ATOM 1208 NH2 ARG A 74 99.489 13.489 -11.340 1.00 0.00 N ATOM 0 H ARG A 74 97.136 6.285 -11.614 1.00 0.00 H new ATOM 0 HA ARG A 74 98.946 6.871 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.899 8.375 -10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 74 96.808 8.605 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.067 9.413 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.493 8.754 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.464 10.493 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 74 97.230 10.737 -10.512 1.00 0.00 H new ATOM 0 HE ARG A 74 99.018 11.874 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.422 11.047 -10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 74 101.728 12.477 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 74 98.546 13.826 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 74 100.114 14.036 -11.932 1.00 0.00 H new ATOM 1222 N HIS A 75 97.334 6.135 -7.495 1.00 0.00 N ATOM 1223 CA HIS A 75 96.468 5.449 -6.493 1.00 0.00 C ATOM 1224 C HIS A 75 96.542 6.194 -5.162 1.00 0.00 C ATOM 1225 O HIS A 75 97.588 6.661 -4.758 1.00 0.00 O ATOM 1226 CB HIS A 75 96.947 4.004 -6.270 1.00 0.00 C ATOM 1227 CG HIS A 75 98.112 3.687 -7.167 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.006 3.678 -8.548 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.418 3.374 -6.892 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.218 3.369 -9.044 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.113 3.174 -8.077 1.00 0.00 N ATOM 0 H HIS A 75 98.175 6.569 -7.114 1.00 0.00 H new ATOM 0 HA HIS A 75 95.445 5.440 -6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.236 3.868 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.130 3.310 -6.467 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.163 3.870 -9.090 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.843 3.295 -5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.438 3.289 -10.098 1.00 0.00 H new ATOM 1239 N ARG A 76 95.445 6.295 -4.468 1.00 0.00 N ATOM 1240 CA ARG A 76 95.463 6.993 -3.156 1.00 0.00 C ATOM 1241 C ARG A 76 96.174 6.101 -2.138 1.00 0.00 C ATOM 1242 O ARG A 76 96.097 4.891 -2.206 1.00 0.00 O ATOM 1243 CB ARG A 76 94.026 7.251 -2.697 1.00 0.00 C ATOM 1244 CG ARG A 76 94.018 8.343 -1.626 1.00 0.00 C ATOM 1245 CD ARG A 76 93.060 9.458 -2.047 1.00 0.00 C ATOM 1246 NE ARG A 76 91.739 8.871 -2.404 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.785 8.817 -1.514 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.077 8.645 -0.255 1.00 0.00 N ATOM 1249 NH2 ARG A 76 89.539 8.935 -1.886 1.00 0.00 N ATOM 0 H ARG A 76 94.538 5.925 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 76 95.986 7.945 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.412 7.554 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 76 93.590 6.334 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 76 93.710 7.926 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.023 8.743 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.943 10.177 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.470 10.002 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 76 91.579 8.511 -3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.051 8.553 0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.332 8.603 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 76 89.311 9.069 -2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 76 88.793 8.893 -1.191 1.00 0.00 H new ATOM 1263 N VAL A 77 96.869 6.678 -1.198 1.00 0.00 N ATOM 1264 CA VAL A 77 97.575 5.839 -0.191 1.00 0.00 C ATOM 1265 C VAL A 77 96.553 4.943 0.513 1.00 0.00 C ATOM 1266 O VAL A 77 96.901 3.954 1.128 1.00 0.00 O ATOM 1267 CB VAL A 77 98.296 6.744 0.815 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.504 6.011 2.144 1.00 0.00 C ATOM 1269 CG2 VAL A 77 99.659 7.129 0.235 1.00 0.00 C ATOM 0 H VAL A 77 96.978 7.686 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 77 98.319 5.209 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 77 97.691 7.632 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.017 6.669 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.537 5.724 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.106 5.118 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.185 7.773 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.247 6.228 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.517 7.660 -0.706 1.00 0.00 H new ATOM 1279 N SER A 78 95.293 5.266 0.410 1.00 0.00 N ATOM 1280 CA SER A 78 94.256 4.415 1.054 1.00 0.00 C ATOM 1281 C SER A 78 94.058 3.168 0.191 1.00 0.00 C ATOM 1282 O SER A 78 93.880 2.075 0.689 1.00 0.00 O ATOM 1283 CB SER A 78 92.941 5.189 1.153 1.00 0.00 C ATOM 1284 OG SER A 78 92.367 5.307 -0.142 1.00 0.00 O ATOM 0 H SER A 78 94.938 6.081 -0.091 1.00 0.00 H new ATOM 0 HA SER A 78 94.571 4.132 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.252 4.674 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.119 6.178 1.576 1.00 0.00 H new ATOM 0 HG SER A 78 91.523 5.801 -0.082 1.00 0.00 H new ATOM 1290 N ALA A 79 94.102 3.329 -1.104 1.00 0.00 N ATOM 1291 CA ALA A 79 93.935 2.160 -2.013 1.00 0.00 C ATOM 1292 C ALA A 79 95.119 1.211 -1.817 1.00 0.00 C ATOM 1293 O ALA A 79 94.955 0.065 -1.449 1.00 0.00 O ATOM 1294 CB ALA A 79 93.899 2.647 -3.463 1.00 0.00 C ATOM 0 H ALA A 79 94.247 4.223 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 79 93.004 1.639 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.777 1.794 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.063 3.334 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.831 3.161 -3.698 1.00 0.00 H new ATOM 1300 N ILE A 80 96.315 1.683 -2.049 1.00 0.00 N ATOM 1301 CA ILE A 80 97.509 0.813 -1.859 1.00 0.00 C ATOM 1302 C ILE A 80 97.504 0.289 -0.424 1.00 0.00 C ATOM 1303 O ILE A 80 97.821 -0.854 -0.163 1.00 0.00 O ATOM 1304 CB ILE A 80 98.785 1.626 -2.093 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.813 2.142 -3.538 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.009 0.744 -1.835 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.238 1.019 -4.486 1.00 0.00 C ATOM 0 H ILE A 80 96.515 2.633 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 80 97.478 -0.016 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 80 98.802 2.475 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.828 2.513 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.505 2.980 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.917 1.324 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.990 0.388 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.993 -0.108 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.255 1.394 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.233 0.668 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.529 0.194 -4.414 1.00 0.00 H new ATOM 1319 N ASN A 81 97.139 1.126 0.510 1.00 0.00 N ATOM 1320 CA ASN A 81 97.101 0.692 1.933 1.00 0.00 C ATOM 1321 C ASN A 81 96.092 -0.445 2.084 1.00 0.00 C ATOM 1322 O ASN A 81 96.245 -1.319 2.911 1.00 0.00 O ATOM 1323 CB ASN A 81 96.675 1.869 2.812 1.00 0.00 C ATOM 1324 CG ASN A 81 96.447 1.380 4.244 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.389 1.162 4.981 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.229 1.195 4.671 1.00 0.00 N ATOM 0 H ASN A 81 96.865 2.095 0.346 1.00 0.00 H new ATOM 0 HA ASN A 81 98.089 0.349 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.442 2.643 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.762 2.318 2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.067 0.867 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.439 1.378 4.053 1.00 0.00 H new ATOM 1333 N ASN A 82 95.059 -0.438 1.287 1.00 0.00 N ATOM 1334 CA ASN A 82 94.038 -1.517 1.381 1.00 0.00 C ATOM 1335 C ASN A 82 94.676 -2.853 0.998 1.00 0.00 C ATOM 1336 O ASN A 82 94.354 -3.886 1.553 1.00 0.00 O ATOM 1337 CB ASN A 82 92.881 -1.212 0.427 1.00 0.00 C ATOM 1338 CG ASN A 82 91.572 -1.159 1.217 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.380 -1.914 2.148 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.657 -0.292 0.882 1.00 0.00 N ATOM 0 H ASN A 82 94.879 0.269 0.575 1.00 0.00 H new ATOM 0 HA ASN A 82 93.660 -1.572 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.053 -0.261 -0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.821 -1.978 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.781 -0.249 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.818 0.343 0.100 1.00 0.00 H new ATOM 1347 N TYR A 83 95.579 -2.845 0.056 1.00 0.00 N ATOM 1348 CA TYR A 83 96.234 -4.120 -0.352 1.00 0.00 C ATOM 1349 C TYR A 83 97.282 -4.509 0.693 1.00 0.00 C ATOM 1350 O TYR A 83 97.119 -5.466 1.424 1.00 0.00 O ATOM 1351 CB TYR A 83 96.908 -3.944 -1.717 1.00 0.00 C ATOM 1352 CG TYR A 83 97.802 -5.130 -2.007 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.567 -6.359 -1.378 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.868 -5.000 -2.907 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.394 -7.453 -1.647 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.694 -6.096 -3.176 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.458 -7.323 -2.546 1.00 0.00 C ATOM 1358 OH TYR A 83 100.274 -8.402 -2.807 1.00 0.00 O ATOM 0 H TYR A 83 95.891 -2.014 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 83 95.482 -4.906 -0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.152 -3.849 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.494 -3.025 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.746 -6.461 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.052 -4.053 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.212 -8.400 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.515 -5.995 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 83 100.181 -9.064 -2.090 1.00 0.00 H new ATOM 1368 N ALA A 84 98.359 -3.777 0.767 1.00 0.00 N ATOM 1369 CA ALA A 84 99.416 -4.111 1.761 1.00 0.00 C ATOM 1370 C ALA A 84 98.772 -4.429 3.110 1.00 0.00 C ATOM 1371 O ALA A 84 99.265 -5.242 3.866 1.00 0.00 O ATOM 1372 CB ALA A 84 100.366 -2.922 1.915 1.00 0.00 C ATOM 0 H ALA A 84 98.552 -2.963 0.183 1.00 0.00 H new ATOM 0 HA ALA A 84 99.975 -4.980 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.140 -3.166 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.829 -2.699 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.807 -2.052 2.258 1.00 0.00 H new ATOM 1378 N GLN A 85 97.675 -3.797 3.422 1.00 0.00 N ATOM 1379 CA GLN A 85 97.007 -4.073 4.725 1.00 0.00 C ATOM 1380 C GLN A 85 96.396 -5.473 4.691 1.00 0.00 C ATOM 1381 O GLN A 85 96.540 -6.245 5.619 1.00 0.00 O ATOM 1382 CB GLN A 85 95.905 -3.042 4.975 1.00 0.00 C ATOM 1383 CG GLN A 85 96.527 -1.750 5.512 1.00 0.00 C ATOM 1384 CD GLN A 85 97.292 -2.051 6.803 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.858 -2.988 7.601 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 98.293 -1.426 7.088 1.00 0.00 N flip ATOM 0 H GLN A 85 97.213 -3.104 2.834 1.00 0.00 H new ATOM 0 HA GLN A 85 97.742 -4.011 5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.364 -2.841 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.181 -3.434 5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 85 97.200 -1.322 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.749 -1.010 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 85 98.632 -0.694 6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 85 98.795 -1.633 7.951 1.00 0.00 H new ATOM 1395 N LYS A 86 95.724 -5.817 3.625 1.00 0.00 N ATOM 1396 CA LYS A 86 95.122 -7.175 3.539 1.00 0.00 C ATOM 1397 C LYS A 86 96.198 -8.202 3.880 1.00 0.00 C ATOM 1398 O LYS A 86 95.915 -9.304 4.304 1.00 0.00 O ATOM 1399 CB LYS A 86 94.607 -7.421 2.119 1.00 0.00 C ATOM 1400 CG LYS A 86 93.719 -8.666 2.106 1.00 0.00 C ATOM 1401 CD LYS A 86 92.575 -8.468 1.109 1.00 0.00 C ATOM 1402 CE LYS A 86 91.641 -9.679 1.157 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.880 -9.669 2.439 1.00 0.00 N ATOM 0 H LYS A 86 95.567 -5.218 2.814 1.00 0.00 H new ATOM 0 HA LYS A 86 94.288 -7.260 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.043 -6.556 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.445 -7.552 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.307 -9.542 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.319 -8.850 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.023 -7.560 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.973 -8.342 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.952 -9.654 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.218 -10.600 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.049 -10.288 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.490 -10.013 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.569 -8.699 2.651 1.00 0.00 H new ATOM 1417 N LEU A 87 97.437 -7.835 3.702 1.00 0.00 N ATOM 1418 CA LEU A 87 98.552 -8.767 4.017 1.00 0.00 C ATOM 1419 C LEU A 87 98.939 -8.604 5.489 1.00 0.00 C ATOM 1420 O LEU A 87 100.103 -8.594 5.839 1.00 0.00 O ATOM 1421 CB LEU A 87 99.748 -8.430 3.125 1.00 0.00 C ATOM 1422 CG LEU A 87 99.286 -8.358 1.669 1.00 0.00 C ATOM 1423 CD1 LEU A 87 100.135 -7.338 0.909 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.442 -9.733 1.019 1.00 0.00 C ATOM 0 H LEU A 87 97.725 -6.922 3.349 1.00 0.00 H new ATOM 0 HA LEU A 87 98.244 -9.797 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.186 -7.479 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.524 -9.187 3.236 1.00 0.00 H new ATOM 0 HG LEU A 87 98.240 -8.053 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.803 -7.289 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 87 100.026 -6.357 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 87 101.182 -7.640 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.113 -9.684 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.489 -10.036 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.836 -10.461 1.558 1.00 0.00 H new ATOM 1436 N CYS A 88 97.968 -8.468 6.353 1.00 0.00 N ATOM 1437 CA CYS A 88 98.274 -8.296 7.802 1.00 0.00 C ATOM 1438 C CYS A 88 97.688 -9.467 8.596 1.00 0.00 C ATOM 1439 O CYS A 88 97.008 -9.278 9.586 1.00 0.00 O ATOM 1440 CB CYS A 88 97.657 -6.988 8.298 1.00 0.00 C ATOM 1441 SG CYS A 88 98.704 -5.600 7.795 1.00 0.00 S ATOM 0 H CYS A 88 96.976 -8.469 6.117 1.00 0.00 H new ATOM 0 HA CYS A 88 99.355 -8.269 7.943 1.00 0.00 H new ATOM 0 HB2 CYS A 88 96.654 -6.868 7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.558 -7.008 9.383 1.00 0.00 H new ATOM 0 HG CYS A 88 97.982 -4.523 7.705 1.00 0.00 H new ATOM 1447 N THR A 89 97.947 -10.673 8.174 1.00 0.00 N ATOM 1448 CA THR A 89 97.408 -11.851 8.908 1.00 0.00 C ATOM 1449 C THR A 89 98.559 -12.793 9.264 1.00 0.00 C ATOM 1450 O THR A 89 98.408 -13.998 9.277 1.00 0.00 O ATOM 1451 CB THR A 89 96.402 -12.589 8.021 1.00 0.00 C ATOM 1452 OG1 THR A 89 97.079 -13.145 6.903 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.332 -11.608 7.537 1.00 0.00 C ATOM 0 H THR A 89 98.509 -10.894 7.352 1.00 0.00 H new ATOM 0 HA THR A 89 96.911 -11.518 9.819 1.00 0.00 H new ATOM 0 HB THR A 89 95.928 -13.387 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.939 -12.691 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.616 -12.133 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.814 -11.182 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.803 -10.809 6.964 1.00 0.00 H new ATOM 1461 N PHE A 90 99.711 -12.249 9.546 1.00 0.00 N ATOM 1462 CA PHE A 90 100.879 -13.111 9.895 1.00 0.00 C ATOM 1463 C PHE A 90 101.822 -12.337 10.817 1.00 0.00 C ATOM 1464 O PHE A 90 102.249 -12.831 11.841 1.00 0.00 O ATOM 1465 CB PHE A 90 101.636 -13.525 8.623 1.00 0.00 C ATOM 1466 CG PHE A 90 101.198 -12.676 7.449 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.960 -12.912 6.838 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.028 -11.653 6.973 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.552 -12.126 5.754 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.619 -10.868 5.889 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.382 -11.104 5.281 1.00 0.00 C ATOM 0 H PHE A 90 99.895 -11.246 9.550 1.00 0.00 H new ATOM 0 HA PHE A 90 100.519 -14.008 10.400 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.709 -13.416 8.779 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.451 -14.577 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.320 -13.701 7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.983 -11.470 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.597 -12.308 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.259 -10.079 5.522 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.067 -10.497 4.445 1.00 0.00 H new ATOM 1481 N SER A 91 102.151 -11.124 10.462 1.00 0.00 N ATOM 1482 CA SER A 91 103.068 -10.321 11.319 1.00 0.00 C ATOM 1483 C SER A 91 102.655 -8.848 11.270 1.00 0.00 C ATOM 1484 O SER A 91 101.492 -8.522 11.135 1.00 0.00 O ATOM 1485 CB SER A 91 104.502 -10.469 10.810 1.00 0.00 C ATOM 1486 OG SER A 91 104.678 -11.777 10.281 1.00 0.00 O ATOM 0 H SER A 91 101.825 -10.656 9.617 1.00 0.00 H new ATOM 0 HA SER A 91 103.010 -10.678 12.347 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.707 -9.723 10.042 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.208 -10.294 11.621 1.00 0.00 H new ATOM 0 HG SER A 91 105.633 -11.998 10.266 1.00 0.00 H new ATOM 1492 N PHE A 92 103.598 -7.952 11.387 1.00 0.00 N ATOM 1493 CA PHE A 92 103.259 -6.501 11.356 1.00 0.00 C ATOM 1494 C PHE A 92 103.316 -5.980 9.917 1.00 0.00 C ATOM 1495 O PHE A 92 103.736 -6.673 9.014 1.00 0.00 O ATOM 1496 CB PHE A 92 104.260 -5.730 12.219 1.00 0.00 C ATOM 1497 CG PHE A 92 105.600 -5.657 11.518 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.783 -4.782 10.442 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.664 -6.457 11.950 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.025 -4.705 9.804 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.904 -6.378 11.312 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.086 -5.501 10.239 1.00 0.00 C ATOM 0 H PHE A 92 104.589 -8.163 11.503 1.00 0.00 H new ATOM 0 HA PHE A 92 102.251 -6.359 11.745 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.887 -4.724 12.413 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.372 -6.220 13.186 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.964 -4.165 10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.526 -7.137 12.778 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.164 -4.029 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.724 -6.996 11.648 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.046 -5.439 9.747 1.00 0.00 H new ATOM 1512 N LEU A 93 102.907 -4.758 9.701 1.00 0.00 N ATOM 1513 CA LEU A 93 102.950 -4.194 8.323 1.00 0.00 C ATOM 1514 C LEU A 93 103.077 -2.669 8.390 1.00 0.00 C ATOM 1515 O LEU A 93 102.467 -2.018 9.215 1.00 0.00 O ATOM 1516 CB LEU A 93 101.669 -4.563 7.571 1.00 0.00 C ATOM 1517 CG LEU A 93 101.635 -3.826 6.230 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.752 -4.835 5.086 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.317 -3.061 6.102 1.00 0.00 C ATOM 0 H LEU A 93 102.546 -4.129 10.418 1.00 0.00 H new ATOM 0 HA LEU A 93 103.811 -4.607 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.628 -5.640 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.796 -4.297 8.166 1.00 0.00 H new ATOM 0 HG LEU A 93 102.469 -3.126 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.728 -4.308 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.692 -5.379 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.920 -5.537 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.292 -2.536 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.483 -3.761 6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.235 -2.340 6.915 1.00 0.00 H new ATOM 1531 N ILE A 94 103.856 -2.098 7.513 1.00 0.00 N ATOM 1532 CA ILE A 94 104.021 -0.617 7.498 1.00 0.00 C ATOM 1533 C ILE A 94 104.021 -0.140 6.045 1.00 0.00 C ATOM 1534 O ILE A 94 105.003 0.370 5.545 1.00 0.00 O ATOM 1535 CB ILE A 94 105.346 -0.229 8.170 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.216 -0.398 9.686 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.682 1.232 7.853 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.360 -1.873 10.050 1.00 0.00 C ATOM 0 H ILE A 94 104.389 -2.598 6.801 1.00 0.00 H new ATOM 0 HA ILE A 94 103.202 -0.150 8.045 1.00 0.00 H new ATOM 0 HB ILE A 94 106.141 -0.873 7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.981 0.189 10.195 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.250 -0.022 10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.623 1.501 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.775 1.358 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.887 1.877 8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.267 -1.992 11.130 1.00 0.00 H new ATOM 0 HD12 ILE A 94 104.579 -2.448 9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.337 -2.234 9.728 1.00 0.00 H new ATOM 1550 N CYS A 95 102.924 -0.311 5.362 1.00 0.00 N ATOM 1551 CA CYS A 95 102.858 0.127 3.941 1.00 0.00 C ATOM 1552 C CYS A 95 102.492 1.611 3.890 1.00 0.00 C ATOM 1553 O CYS A 95 101.356 1.985 4.102 1.00 0.00 O ATOM 1554 CB CYS A 95 101.795 -0.693 3.207 1.00 0.00 C ATOM 1555 SG CYS A 95 101.479 0.038 1.581 1.00 0.00 S ATOM 0 H CYS A 95 102.071 -0.735 5.726 1.00 0.00 H new ATOM 0 HA CYS A 95 103.825 -0.025 3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.130 -1.724 3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.875 -0.719 3.790 1.00 0.00 H new ATOM 0 HG CYS A 95 100.205 -0.006 1.326 1.00 0.00 H new ATOM 1561 N LYS A 96 103.443 2.462 3.617 1.00 0.00 N ATOM 1562 CA LYS A 96 103.134 3.919 3.562 1.00 0.00 C ATOM 1563 C LYS A 96 103.723 4.526 2.288 1.00 0.00 C ATOM 1564 O LYS A 96 104.862 4.287 1.942 1.00 0.00 O ATOM 1565 CB LYS A 96 103.742 4.613 4.783 1.00 0.00 C ATOM 1566 CG LYS A 96 102.812 5.736 5.246 1.00 0.00 C ATOM 1567 CD LYS A 96 102.694 5.705 6.771 1.00 0.00 C ATOM 1568 CE LYS A 96 101.829 4.515 7.191 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.191 4.102 8.578 1.00 0.00 N ATOM 0 H LYS A 96 104.415 2.214 3.431 1.00 0.00 H new ATOM 0 HA LYS A 96 102.053 4.058 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 96 103.889 3.893 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.723 5.018 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.200 6.701 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.828 5.618 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 96 103.683 5.626 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.253 6.634 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 96 100.774 4.784 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.977 3.683 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.603 3.293 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 103.194 3.829 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 102.028 4.896 9.230 1.00 0.00 H new ATOM 1583 N GLY A 97 102.952 5.312 1.586 1.00 0.00 N ATOM 1584 CA GLY A 97 103.465 5.938 0.336 1.00 0.00 C ATOM 1585 C GLY A 97 104.722 6.751 0.648 1.00 0.00 C ATOM 1586 O GLY A 97 105.011 7.053 1.788 1.00 0.00 O ATOM 0 H GLY A 97 101.989 5.547 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.691 5.168 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.702 6.583 -0.100 1.00 0.00 H new ATOM 1590 N VAL A 98 105.472 7.109 -0.359 1.00 0.00 N ATOM 1591 CA VAL A 98 106.709 7.904 -0.119 1.00 0.00 C ATOM 1592 C VAL A 98 106.684 9.155 -0.998 1.00 0.00 C ATOM 1593 O VAL A 98 106.122 9.158 -2.075 1.00 0.00 O ATOM 1594 CB VAL A 98 107.934 7.056 -0.468 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.194 7.918 -0.374 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.041 5.888 0.515 1.00 0.00 C ATOM 0 H VAL A 98 105.282 6.885 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 98 106.759 8.197 0.930 1.00 0.00 H new ATOM 0 HB VAL A 98 107.833 6.670 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.067 7.315 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.118 8.751 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.296 8.304 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.913 5.283 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.143 6.274 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.143 5.274 0.449 1.00 0.00 H new ATOM 1606 N ASN A 99 107.285 10.220 -0.546 1.00 0.00 N ATOM 1607 CA ASN A 99 107.292 11.471 -1.354 1.00 0.00 C ATOM 1608 C ASN A 99 108.483 11.454 -2.315 1.00 0.00 C ATOM 1609 O ASN A 99 108.361 11.795 -3.475 1.00 0.00 O ATOM 1610 CB ASN A 99 107.407 12.679 -0.423 1.00 0.00 C ATOM 1611 CG ASN A 99 106.047 13.371 -0.313 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.123 13.040 -1.030 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.884 14.327 0.561 1.00 0.00 N ATOM 0 H ASN A 99 107.772 10.278 0.348 1.00 0.00 H new ATOM 0 HA ASN A 99 106.366 11.538 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.745 12.361 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.152 13.377 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.982 14.796 0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.659 14.605 1.163 1.00 0.00 H new ATOM 1620 N LYS A 100 109.634 11.059 -1.843 1.00 0.00 N ATOM 1621 CA LYS A 100 110.831 11.025 -2.732 1.00 0.00 C ATOM 1622 C LYS A 100 111.417 9.612 -2.753 1.00 0.00 C ATOM 1623 O LYS A 100 112.175 9.229 -1.881 1.00 0.00 O ATOM 1624 CB LYS A 100 111.882 12.004 -2.208 1.00 0.00 C ATOM 1625 CG LYS A 100 111.863 13.280 -3.052 1.00 0.00 C ATOM 1626 CD LYS A 100 112.542 14.413 -2.279 1.00 0.00 C ATOM 1627 CE LYS A 100 112.787 15.596 -3.216 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.488 16.253 -3.537 1.00 0.00 N ATOM 0 H LYS A 100 109.798 10.759 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 100 110.538 11.310 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.681 12.244 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.870 11.546 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 100 112.378 13.111 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.836 13.554 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.916 14.722 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.486 14.066 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.462 16.311 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.270 15.255 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.658 17.078 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 110.870 15.578 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.028 16.562 -2.657 1.00 0.00 H new ATOM 1642 N GLU A 101 111.078 8.833 -3.745 1.00 0.00 N ATOM 1643 CA GLU A 101 111.621 7.449 -3.822 1.00 0.00 C ATOM 1644 C GLU A 101 113.145 7.511 -3.922 1.00 0.00 C ATOM 1645 O GLU A 101 113.849 7.047 -3.050 1.00 0.00 O ATOM 1646 CB GLU A 101 111.060 6.746 -5.058 1.00 0.00 C ATOM 1647 CG GLU A 101 109.859 5.889 -4.656 1.00 0.00 C ATOM 1648 CD GLU A 101 110.277 4.420 -4.592 1.00 0.00 C ATOM 1649 OE1 GLU A 101 111.069 4.014 -5.426 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.799 3.726 -3.709 1.00 0.00 O ATOM 0 H GLU A 101 110.449 9.096 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 101 111.333 6.895 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.761 7.482 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.828 6.123 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 101 109.477 6.212 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.051 6.017 -5.376 1.00 0.00 H new ATOM 1657 N TYR A 102 113.647 8.084 -4.986 1.00 0.00 N ATOM 1658 CA TYR A 102 115.127 8.198 -5.177 1.00 0.00 C ATOM 1659 C TYR A 102 115.831 8.376 -3.826 1.00 0.00 C ATOM 1660 O TYR A 102 116.934 7.907 -3.625 1.00 0.00 O ATOM 1661 CB TYR A 102 115.429 9.414 -6.052 1.00 0.00 C ATOM 1662 CG TYR A 102 116.871 9.372 -6.495 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.235 8.652 -7.638 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.846 10.058 -5.760 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.575 8.617 -8.047 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.184 10.025 -6.168 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.549 9.304 -7.312 1.00 0.00 C ATOM 1668 OH TYR A 102 120.868 9.273 -7.716 1.00 0.00 O ATOM 0 H TYR A 102 113.088 8.483 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 102 115.489 7.287 -5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.771 9.422 -6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.235 10.332 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.483 8.123 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 102 117.565 10.613 -4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.856 8.060 -8.929 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.935 10.555 -5.601 1.00 0.00 H new ATOM 0 HH TYR A 102 121.412 9.802 -7.096 1.00 0.00 H new ATOM 1678 N LEU A 103 115.207 9.056 -2.902 1.00 0.00 N ATOM 1679 CA LEU A 103 115.849 9.267 -1.573 1.00 0.00 C ATOM 1680 C LEU A 103 115.766 7.990 -0.734 1.00 0.00 C ATOM 1681 O LEU A 103 116.770 7.384 -0.419 1.00 0.00 O ATOM 1682 CB LEU A 103 115.149 10.403 -0.838 1.00 0.00 C ATOM 1683 CG LEU A 103 116.171 11.496 -0.543 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.407 10.883 0.115 1.00 0.00 C ATOM 1685 CD2 LEU A 103 116.587 12.173 -1.846 1.00 0.00 C ATOM 0 H LEU A 103 114.283 9.474 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 103 116.897 9.523 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.335 10.800 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.707 10.038 0.089 1.00 0.00 H new ATOM 0 HG LEU A 103 115.724 12.229 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.135 11.667 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 103 117.120 10.397 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.849 10.147 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.317 12.954 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.030 11.435 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 103 115.712 12.615 -2.322 1.00 0.00 H new ATOM 1697 N MET A 104 114.581 7.582 -0.364 1.00 0.00 N ATOM 1698 CA MET A 104 114.440 6.345 0.462 1.00 0.00 C ATOM 1699 C MET A 104 115.400 5.268 -0.052 1.00 0.00 C ATOM 1700 O MET A 104 116.053 4.589 0.711 1.00 0.00 O ATOM 1701 CB MET A 104 113.005 5.823 0.364 1.00 0.00 C ATOM 1702 CG MET A 104 112.464 5.511 1.761 1.00 0.00 C ATOM 1703 SD MET A 104 113.673 4.520 2.676 1.00 0.00 S ATOM 1704 CE MET A 104 112.498 3.370 3.433 1.00 0.00 C ATOM 0 H MET A 104 113.705 8.050 -0.597 1.00 0.00 H new ATOM 0 HA MET A 104 114.676 6.581 1.500 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.372 6.565 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.977 4.926 -0.254 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.258 6.437 2.297 1.00 0.00 H new ATOM 0 HG3 MET A 104 111.520 4.971 1.684 1.00 0.00 H new ATOM 0 HE1 MET A 104 113.036 2.509 3.829 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.969 3.871 4.243 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.781 3.036 2.683 1.00 0.00 H new ATOM 1714 N TYR A 105 115.483 5.108 -1.343 1.00 0.00 N ATOM 1715 CA TYR A 105 116.389 4.073 -1.915 1.00 0.00 C ATOM 1716 C TYR A 105 117.850 4.473 -1.691 1.00 0.00 C ATOM 1717 O TYR A 105 118.673 3.660 -1.316 1.00 0.00 O ATOM 1718 CB TYR A 105 116.117 3.948 -3.413 1.00 0.00 C ATOM 1719 CG TYR A 105 117.064 2.942 -4.018 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.360 3.329 -4.380 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.648 1.621 -4.218 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.238 2.397 -4.940 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.526 0.688 -4.779 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.822 1.075 -5.141 1.00 0.00 C ATOM 1725 OH TYR A 105 119.688 0.155 -5.694 1.00 0.00 O ATOM 0 H TYR A 105 114.960 5.652 -2.030 1.00 0.00 H new ATOM 0 HA TYR A 105 116.206 3.118 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.086 3.638 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.241 4.917 -3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.681 4.349 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.648 1.322 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.238 2.696 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.204 -0.331 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 105 119.241 -0.714 -5.763 1.00 0.00 H new ATOM 1735 N SER A 106 118.185 5.714 -1.920 1.00 0.00 N ATOM 1736 CA SER A 106 119.597 6.152 -1.722 1.00 0.00 C ATOM 1737 C SER A 106 120.030 5.863 -0.283 1.00 0.00 C ATOM 1738 O SER A 106 120.946 5.101 -0.041 1.00 0.00 O ATOM 1739 CB SER A 106 119.708 7.652 -1.996 1.00 0.00 C ATOM 1740 OG SER A 106 118.743 8.345 -1.217 1.00 0.00 O ATOM 0 H SER A 106 117.544 6.442 -2.235 1.00 0.00 H new ATOM 0 HA SER A 106 120.244 5.607 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.710 8.005 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.549 7.852 -3.056 1.00 0.00 H new ATOM 0 HG SER A 106 117.973 7.761 -1.054 1.00 0.00 H new ATOM 1746 N ALA A 107 119.381 6.464 0.675 1.00 0.00 N ATOM 1747 CA ALA A 107 119.759 6.221 2.094 1.00 0.00 C ATOM 1748 C ALA A 107 119.647 4.726 2.401 1.00 0.00 C ATOM 1749 O ALA A 107 120.284 4.219 3.304 1.00 0.00 O ATOM 1750 CB ALA A 107 118.823 7.006 3.016 1.00 0.00 C ATOM 0 H ALA A 107 118.606 7.112 0.536 1.00 0.00 H new ATOM 0 HA ALA A 107 120.785 6.550 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.101 6.827 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.905 8.071 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.795 6.680 2.854 1.00 0.00 H new ATOM 1756 N LEU A 108 118.846 4.015 1.655 1.00 0.00 N ATOM 1757 CA LEU A 108 118.698 2.553 1.904 1.00 0.00 C ATOM 1758 C LEU A 108 119.965 1.832 1.439 1.00 0.00 C ATOM 1759 O LEU A 108 120.369 0.837 2.007 1.00 0.00 O ATOM 1760 CB LEU A 108 117.496 2.018 1.121 1.00 0.00 C ATOM 1761 CG LEU A 108 116.239 2.092 1.990 1.00 0.00 C ATOM 1762 CD1 LEU A 108 115.068 1.447 1.247 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.481 1.346 3.304 1.00 0.00 C ATOM 0 H LEU A 108 118.288 4.383 0.884 1.00 0.00 H new ATOM 0 HA LEU A 108 118.544 2.379 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.355 2.600 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.678 0.988 0.816 1.00 0.00 H new ATOM 0 HG LEU A 108 116.006 3.135 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.172 1.499 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.894 1.978 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.302 0.404 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.585 1.399 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.715 0.303 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.316 1.804 3.834 1.00 0.00 H new ATOM 1775 N THR A 109 120.592 2.328 0.409 1.00 0.00 N ATOM 1776 CA THR A 109 121.831 1.674 -0.096 1.00 0.00 C ATOM 1777 C THR A 109 123.015 2.083 0.780 1.00 0.00 C ATOM 1778 O THR A 109 124.030 1.415 0.820 1.00 0.00 O ATOM 1779 CB THR A 109 122.088 2.119 -1.538 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.627 3.433 -1.537 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.775 2.105 -2.322 1.00 0.00 C ATOM 0 H THR A 109 120.300 3.159 -0.105 1.00 0.00 H new ATOM 0 HA THR A 109 121.711 0.591 -0.064 1.00 0.00 H new ATOM 0 HB THR A 109 122.795 1.435 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 109 122.053 4.022 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.961 2.422 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.363 1.096 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 109 120.065 2.787 -1.854 1.00 0.00 H new ATOM 1789 N ARG A 110 122.897 3.175 1.484 1.00 0.00 N ATOM 1790 CA ARG A 110 124.019 3.620 2.357 1.00 0.00 C ATOM 1791 C ARG A 110 123.897 2.946 3.725 1.00 0.00 C ATOM 1792 O ARG A 110 122.884 3.044 4.390 1.00 0.00 O ATOM 1793 CB ARG A 110 123.964 5.141 2.525 1.00 0.00 C ATOM 1794 CG ARG A 110 124.297 5.813 1.190 1.00 0.00 C ATOM 1795 CD ARG A 110 124.904 7.193 1.447 1.00 0.00 C ATOM 1796 NE ARG A 110 125.254 7.832 0.146 1.00 0.00 N ATOM 1797 CZ ARG A 110 124.707 8.968 -0.192 1.00 0.00 C ATOM 1798 NH1 ARG A 110 123.573 8.982 -0.836 1.00 0.00 N ATOM 1799 NH2 ARG A 110 125.296 10.093 0.115 1.00 0.00 N ATOM 0 H ARG A 110 122.074 3.777 1.492 1.00 0.00 H new ATOM 0 HA ARG A 110 124.969 3.342 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.972 5.445 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.671 5.459 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.997 5.196 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 110 123.396 5.908 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.196 7.817 1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.794 7.101 2.070 1.00 0.00 H new ATOM 0 HE ARG A 110 125.921 7.381 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 110 123.112 8.104 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 110 123.147 9.871 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.183 10.083 0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 110 124.869 10.981 -0.149 1.00 0.00 H new ATOM 1813 N ASP A 111 124.921 2.257 4.150 1.00 0.00 N ATOM 1814 CA ASP A 111 124.863 1.575 5.472 1.00 0.00 C ATOM 1815 C ASP A 111 124.247 2.521 6.507 1.00 0.00 C ATOM 1816 O ASP A 111 124.199 3.717 6.298 1.00 0.00 O ATOM 1817 CB ASP A 111 126.278 1.191 5.910 1.00 0.00 C ATOM 1818 CG ASP A 111 126.632 -0.186 5.345 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.777 -1.054 5.375 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.752 -0.348 4.892 1.00 0.00 O ATOM 0 H ASP A 111 125.795 2.138 3.638 1.00 0.00 H new ATOM 0 HA ASP A 111 124.251 0.676 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.993 1.935 5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.342 1.177 6.998 1.00 0.00 H new ATOM 1825 N PRO A 112 123.792 1.952 7.595 1.00 0.00 N ATOM 1826 CA PRO A 112 123.856 0.498 7.836 1.00 0.00 C ATOM 1827 C PRO A 112 122.716 -0.232 7.112 1.00 0.00 C ATOM 1828 O PRO A 112 122.346 -1.330 7.479 1.00 0.00 O ATOM 1829 CB PRO A 112 123.681 0.385 9.354 1.00 0.00 C ATOM 1830 CG PRO A 112 122.966 1.680 9.810 1.00 0.00 C ATOM 1831 CD PRO A 112 123.178 2.721 8.693 1.00 0.00 C ATOM 0 HA PRO A 112 124.780 0.050 7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 112 123.092 -0.495 9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 112 124.646 0.279 9.849 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.904 1.498 9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 112 123.377 2.037 10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 112 122.235 3.172 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.827 3.532 9.023 1.00 0.00 H new ATOM 1839 N PHE A 113 122.153 0.358 6.090 1.00 0.00 N ATOM 1840 CA PHE A 113 121.043 -0.321 5.365 1.00 0.00 C ATOM 1841 C PHE A 113 121.623 -1.327 4.370 1.00 0.00 C ATOM 1842 O PHE A 113 122.185 -0.959 3.358 1.00 0.00 O ATOM 1843 CB PHE A 113 120.209 0.720 4.616 1.00 0.00 C ATOM 1844 CG PHE A 113 119.339 1.467 5.599 1.00 0.00 C ATOM 1845 CD1 PHE A 113 118.356 0.785 6.326 1.00 0.00 C ATOM 1846 CD2 PHE A 113 119.518 2.843 5.787 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.555 1.475 7.239 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.716 3.535 6.700 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.733 2.851 7.427 1.00 0.00 C ATOM 0 H PHE A 113 122.413 1.276 5.729 1.00 0.00 H new ATOM 0 HA PHE A 113 120.409 -0.845 6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.863 1.416 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.590 0.233 3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 113 118.217 -0.276 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 113 120.276 3.370 5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.798 0.947 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.854 4.596 6.845 1.00 0.00 H new ATOM 0 HZ PHE A 113 117.113 3.385 8.132 1.00 0.00 H new ATOM 1859 N SER A 114 121.490 -2.596 4.648 1.00 0.00 N ATOM 1860 CA SER A 114 122.035 -3.623 3.717 1.00 0.00 C ATOM 1861 C SER A 114 120.964 -3.999 2.694 1.00 0.00 C ATOM 1862 O SER A 114 120.001 -4.671 3.002 1.00 0.00 O ATOM 1863 CB SER A 114 122.446 -4.865 4.507 1.00 0.00 C ATOM 1864 OG SER A 114 122.275 -6.018 3.694 1.00 0.00 O ATOM 0 H SER A 114 121.028 -2.965 5.479 1.00 0.00 H new ATOM 0 HA SER A 114 122.906 -3.220 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 114 123.485 -4.781 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.843 -4.951 5.411 1.00 0.00 H new ATOM 0 HG SER A 114 122.539 -6.816 4.198 1.00 0.00 H new ATOM 1870 N VAL A 115 121.126 -3.565 1.476 1.00 0.00 N ATOM 1871 CA VAL A 115 120.121 -3.889 0.428 1.00 0.00 C ATOM 1872 C VAL A 115 120.180 -5.384 0.104 1.00 0.00 C ATOM 1873 O VAL A 115 121.240 -5.977 0.053 1.00 0.00 O ATOM 1874 CB VAL A 115 120.431 -3.083 -0.833 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.396 -3.406 -1.910 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.379 -1.589 -0.507 1.00 0.00 C ATOM 0 H VAL A 115 121.913 -2.998 1.161 1.00 0.00 H new ATOM 0 HA VAL A 115 119.124 -3.637 0.789 1.00 0.00 H new ATOM 0 HB VAL A 115 121.426 -3.342 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 115 119.616 -2.832 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.432 -4.471 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.401 -3.146 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 115 120.600 -1.013 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.384 -1.330 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.116 -1.359 0.262 1.00 0.00 H new ATOM 1886 N ILE A 116 119.050 -5.995 -0.121 1.00 0.00 N ATOM 1887 CA ILE A 116 119.043 -7.448 -0.447 1.00 0.00 C ATOM 1888 C ILE A 116 119.130 -7.626 -1.963 1.00 0.00 C ATOM 1889 O ILE A 116 120.130 -8.070 -2.491 1.00 0.00 O ATOM 1890 CB ILE A 116 117.751 -8.089 0.061 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.373 -7.484 1.414 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.959 -9.597 0.221 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.929 -7.859 1.750 1.00 0.00 C ATOM 0 H ILE A 116 118.132 -5.551 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 116 119.896 -7.927 0.033 1.00 0.00 H new ATOM 0 HB ILE A 116 116.951 -7.903 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.046 -7.850 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.482 -6.400 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 116 117.038 -10.055 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 116 118.226 -10.032 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.761 -9.780 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.656 -7.429 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.264 -7.471 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.836 -8.944 1.797 1.00 0.00 H new ATOM 1905 N GLU A 117 118.086 -7.283 -2.668 1.00 0.00 N ATOM 1906 CA GLU A 117 118.111 -7.435 -4.150 1.00 0.00 C ATOM 1907 C GLU A 117 117.031 -6.549 -4.777 1.00 0.00 C ATOM 1908 O GLU A 117 116.420 -5.732 -4.116 1.00 0.00 O ATOM 1909 CB GLU A 117 117.846 -8.897 -4.515 1.00 0.00 C ATOM 1910 CG GLU A 117 119.171 -9.593 -4.832 1.00 0.00 C ATOM 1911 CD GLU A 117 118.909 -10.816 -5.712 1.00 0.00 C ATOM 1912 OE1 GLU A 117 118.286 -10.653 -6.748 1.00 0.00 O ATOM 1913 OE2 GLU A 117 119.337 -11.895 -5.335 1.00 0.00 O ATOM 0 H GLU A 117 117.220 -6.906 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 117 119.088 -7.135 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 117 117.345 -9.404 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 117 117.179 -8.953 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 117 119.843 -8.903 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 117 119.665 -9.896 -3.909 1.00 0.00 H new ATOM 1920 N GLU A 118 116.793 -6.706 -6.051 1.00 0.00 N ATOM 1921 CA GLU A 118 115.756 -5.879 -6.731 1.00 0.00 C ATOM 1922 C GLU A 118 115.387 -6.535 -8.064 1.00 0.00 C ATOM 1923 O GLU A 118 115.854 -7.609 -8.387 1.00 0.00 O ATOM 1924 CB GLU A 118 116.309 -4.476 -6.991 1.00 0.00 C ATOM 1925 CG GLU A 118 117.808 -4.563 -7.282 1.00 0.00 C ATOM 1926 CD GLU A 118 118.365 -3.158 -7.525 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.696 -2.207 -7.159 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.451 -3.060 -8.071 1.00 0.00 O ATOM 0 H GLU A 118 117.275 -7.375 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 118 114.872 -5.807 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.790 -4.020 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.132 -3.838 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.325 -5.030 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.984 -5.191 -8.155 1.00 0.00 H new ATOM 1935 N SER A 119 114.549 -5.902 -8.838 1.00 0.00 N ATOM 1936 CA SER A 119 114.150 -6.496 -10.146 1.00 0.00 C ATOM 1937 C SER A 119 114.808 -5.719 -11.288 1.00 0.00 C ATOM 1938 O SER A 119 114.737 -6.108 -12.438 1.00 0.00 O ATOM 1939 CB SER A 119 112.630 -6.429 -10.294 1.00 0.00 C ATOM 1940 OG SER A 119 112.299 -6.207 -11.658 1.00 0.00 O ATOM 0 H SER A 119 114.124 -5.000 -8.622 1.00 0.00 H new ATOM 0 HA SER A 119 114.475 -7.536 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.178 -7.357 -9.945 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.228 -5.627 -9.675 1.00 0.00 H new ATOM 0 HG SER A 119 113.053 -6.473 -12.225 1.00 0.00 H new ATOM 1946 N LEU A 120 115.447 -4.623 -10.983 1.00 0.00 N ATOM 1947 CA LEU A 120 116.107 -3.825 -12.055 1.00 0.00 C ATOM 1948 C LEU A 120 117.625 -4.016 -11.972 1.00 0.00 C ATOM 1949 O LEU A 120 118.171 -4.152 -10.895 1.00 0.00 O ATOM 1950 CB LEU A 120 115.764 -2.346 -11.869 1.00 0.00 C ATOM 1951 CG LEU A 120 114.433 -2.039 -12.558 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.626 -2.054 -14.076 1.00 0.00 C ATOM 1953 CD2 LEU A 120 113.399 -3.097 -12.166 1.00 0.00 C ATOM 0 H LEU A 120 115.541 -4.246 -10.040 1.00 0.00 H new ATOM 0 HA LEU A 120 115.754 -4.159 -13.031 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.699 -2.108 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.554 -1.723 -12.288 1.00 0.00 H new ATOM 0 HG LEU A 120 114.083 -1.055 -12.246 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.677 -1.835 -14.566 1.00 0.00 H new ATOM 0 HD12 LEU A 120 115.361 -1.300 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 120 114.977 -3.037 -14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 120 112.451 -2.878 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 120 113.750 -4.081 -12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 120 113.259 -3.086 -11.085 1.00 0.00 H new ATOM 1965 N PRO A 121 118.260 -4.021 -13.116 1.00 0.00 N ATOM 1966 CA PRO A 121 119.720 -4.196 -13.213 1.00 0.00 C ATOM 1967 C PRO A 121 120.440 -2.885 -12.883 1.00 0.00 C ATOM 1968 O PRO A 121 121.598 -2.878 -12.519 1.00 0.00 O ATOM 1969 CB PRO A 121 119.937 -4.584 -14.678 1.00 0.00 C ATOM 1970 CG PRO A 121 118.705 -4.064 -15.456 1.00 0.00 C ATOM 1971 CD PRO A 121 117.584 -3.854 -14.419 1.00 0.00 C ATOM 0 HA PRO A 121 120.110 -4.939 -12.517 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.855 -4.142 -15.065 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.035 -5.665 -14.783 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.937 -3.131 -15.970 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.398 -4.780 -16.218 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.136 -2.865 -14.511 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.781 -4.580 -14.547 1.00 0.00 H new ATOM 1979 N GLY A 122 119.762 -1.778 -13.008 1.00 0.00 N ATOM 1980 CA GLY A 122 120.409 -0.470 -12.703 1.00 0.00 C ATOM 1981 C GLY A 122 119.847 0.087 -11.394 1.00 0.00 C ATOM 1982 O GLY A 122 120.353 1.048 -10.849 1.00 0.00 O ATOM 0 H GLY A 122 118.789 -1.722 -13.308 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.489 -0.597 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 122 120.231 0.234 -13.516 1.00 0.00 H new ATOM 1986 N GLY A 123 118.804 -0.508 -10.884 1.00 0.00 N ATOM 1987 CA GLY A 123 118.210 -0.011 -9.609 1.00 0.00 C ATOM 1988 C GLY A 123 117.445 1.286 -9.873 1.00 0.00 C ATOM 1989 O GLY A 123 116.903 1.493 -10.941 1.00 0.00 O ATOM 0 H GLY A 123 118.337 -1.317 -11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.540 -0.762 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.995 0.161 -8.873 1.00 0.00 H new ATOM 1993 N LEU A 124 117.394 2.164 -8.908 1.00 0.00 N ATOM 1994 CA LEU A 124 116.662 3.446 -9.107 1.00 0.00 C ATOM 1995 C LEU A 124 117.485 4.378 -9.996 1.00 0.00 C ATOM 1996 O LEU A 124 118.697 4.416 -9.916 1.00 0.00 O ATOM 1997 CB LEU A 124 116.416 4.114 -7.757 1.00 0.00 C ATOM 1998 CG LEU A 124 114.912 4.232 -7.535 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.342 2.901 -7.053 1.00 0.00 C ATOM 2000 CD2 LEU A 124 114.618 5.316 -6.501 1.00 0.00 C ATOM 0 H LEU A 124 117.827 2.049 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 124 115.706 3.240 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.871 3.529 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.880 5.100 -7.734 1.00 0.00 H new ATOM 0 HG LEU A 124 114.443 4.500 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.268 3.000 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.532 2.132 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.819 2.620 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.541 5.392 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.100 5.059 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 124 115.003 6.272 -6.856 1.00 0.00 H new ATOM 2012 N LYS A 125 116.838 5.135 -10.844 1.00 0.00 N ATOM 2013 CA LYS A 125 117.592 6.063 -11.731 1.00 0.00 C ATOM 2014 C LYS A 125 116.615 6.960 -12.513 1.00 0.00 C ATOM 2015 O LYS A 125 115.990 7.836 -11.950 1.00 0.00 O ATOM 2016 CB LYS A 125 118.462 5.251 -12.697 1.00 0.00 C ATOM 2017 CG LYS A 125 119.347 6.198 -13.517 1.00 0.00 C ATOM 2018 CD LYS A 125 119.953 7.266 -12.599 1.00 0.00 C ATOM 2019 CE LYS A 125 119.022 8.480 -12.545 1.00 0.00 C ATOM 2020 NZ LYS A 125 119.833 9.729 -12.614 1.00 0.00 N ATOM 0 H LYS A 125 115.825 5.149 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 125 118.234 6.702 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 125 119.083 4.549 -12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 125 117.831 4.661 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 125 120.140 5.635 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 125 118.758 6.672 -14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.098 6.860 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 125 120.935 7.563 -12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 125 118.314 8.447 -13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 125 118.437 8.463 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 119.202 10.555 -12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 120.491 9.760 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 120.372 9.744 -13.503 1.00 0.00 H new ATOM 2034 N GLU A 126 116.487 6.770 -13.803 1.00 0.00 N ATOM 2035 CA GLU A 126 115.561 7.633 -14.595 1.00 0.00 C ATOM 2036 C GLU A 126 114.170 6.992 -14.690 1.00 0.00 C ATOM 2037 O GLU A 126 113.278 7.530 -15.316 1.00 0.00 O ATOM 2038 CB GLU A 126 116.129 7.821 -16.003 1.00 0.00 C ATOM 2039 CG GLU A 126 115.952 9.279 -16.433 1.00 0.00 C ATOM 2040 CD GLU A 126 114.470 9.560 -16.681 1.00 0.00 C ATOM 2041 OE1 GLU A 126 113.955 9.081 -17.679 1.00 0.00 O ATOM 2042 OE2 GLU A 126 113.874 10.249 -15.870 1.00 0.00 O ATOM 0 H GLU A 126 116.982 6.057 -14.339 1.00 0.00 H new ATOM 0 HA GLU A 126 115.467 8.597 -14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 126 117.185 7.551 -16.020 1.00 0.00 H new ATOM 0 HB3 GLU A 126 115.620 7.159 -16.704 1.00 0.00 H new ATOM 0 HG2 GLU A 126 116.336 9.946 -15.661 1.00 0.00 H new ATOM 0 HG3 GLU A 126 116.527 9.475 -17.338 1.00 0.00 H new ATOM 2049 N HIS A 127 113.972 5.849 -14.093 1.00 0.00 N ATOM 2050 CA HIS A 127 112.634 5.192 -14.180 1.00 0.00 C ATOM 2051 C HIS A 127 111.535 6.185 -13.788 1.00 0.00 C ATOM 2052 O HIS A 127 110.625 6.445 -14.550 1.00 0.00 O ATOM 2053 CB HIS A 127 112.589 3.981 -13.246 1.00 0.00 C ATOM 2054 CG HIS A 127 113.781 3.102 -13.511 1.00 0.00 C ATOM 2055 ND1 HIS A 127 114.982 3.262 -12.839 1.00 0.00 N ATOM 2056 CD2 HIS A 127 113.974 2.055 -14.378 1.00 0.00 C ATOM 2057 CE1 HIS A 127 115.836 2.335 -13.308 1.00 0.00 C ATOM 2058 NE2 HIS A 127 115.273 1.572 -14.248 1.00 0.00 N ATOM 0 H HIS A 127 114.673 5.343 -13.552 1.00 0.00 H new ATOM 0 HA HIS A 127 112.468 4.863 -15.206 1.00 0.00 H new ATOM 0 HB2 HIS A 127 112.589 4.309 -12.207 1.00 0.00 H new ATOM 0 HB3 HIS A 127 111.668 3.420 -13.403 1.00 0.00 H new ATOM 0 HD2 HIS A 127 113.231 1.665 -15.058 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.854 2.221 -12.966 1.00 0.00 H new ATOM 0 HE2 HIS A 127 115.702 0.801 -14.760 1.00 0.00 H new ATOM 2066 N ASP A 128 111.606 6.742 -12.609 1.00 0.00 N ATOM 2067 CA ASP A 128 110.559 7.714 -12.182 1.00 0.00 C ATOM 2068 C ASP A 128 111.116 8.624 -11.085 1.00 0.00 C ATOM 2069 O ASP A 128 110.385 9.144 -10.264 1.00 0.00 O ATOM 2070 CB ASP A 128 109.345 6.953 -11.645 1.00 0.00 C ATOM 2071 CG ASP A 128 108.062 7.613 -12.152 1.00 0.00 C ATOM 2072 OD1 ASP A 128 108.127 8.285 -13.168 1.00 0.00 O ATOM 2073 OD2 ASP A 128 107.036 7.436 -11.516 1.00 0.00 O ATOM 0 H ASP A 128 112.342 6.567 -11.925 1.00 0.00 H new ATOM 0 HA ASP A 128 110.261 8.321 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 128 109.383 5.913 -11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 128 109.358 6.949 -10.555 1.00 0.00 H new ATOM 2078 N PHE A 129 112.404 8.822 -11.066 1.00 0.00 N ATOM 2079 CA PHE A 129 113.015 9.701 -10.024 1.00 0.00 C ATOM 2080 C PHE A 129 114.224 10.410 -10.634 1.00 0.00 C ATOM 2081 O PHE A 129 114.788 9.962 -11.611 1.00 0.00 O ATOM 2082 CB PHE A 129 113.463 8.871 -8.808 1.00 0.00 C ATOM 2083 CG PHE A 129 113.127 7.417 -9.029 1.00 0.00 C ATOM 2084 CD1 PHE A 129 113.763 6.718 -10.052 1.00 0.00 C ATOM 2085 CD2 PHE A 129 112.167 6.780 -8.235 1.00 0.00 C ATOM 2086 CE1 PHE A 129 113.443 5.381 -10.293 1.00 0.00 C ATOM 2087 CE2 PHE A 129 111.851 5.438 -8.467 1.00 0.00 C ATOM 2088 CZ PHE A 129 112.486 4.737 -9.498 1.00 0.00 C ATOM 0 H PHE A 129 113.064 8.413 -11.728 1.00 0.00 H new ATOM 0 HA PHE A 129 112.277 10.429 -9.688 1.00 0.00 H new ATOM 0 HB2 PHE A 129 114.536 8.986 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 129 112.970 9.235 -7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 129 114.506 7.212 -10.661 1.00 0.00 H new ATOM 0 HD2 PHE A 129 111.671 7.324 -7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 129 113.933 4.843 -11.092 1.00 0.00 H new ATOM 0 HE2 PHE A 129 111.116 4.942 -7.850 1.00 0.00 H new ATOM 0 HZ PHE A 129 112.239 3.702 -9.681 1.00 0.00 H new ATOM 2098 N ASN A 130 114.627 11.511 -10.069 1.00 0.00 N ATOM 2099 CA ASN A 130 115.801 12.240 -10.630 1.00 0.00 C ATOM 2100 C ASN A 130 116.377 13.219 -9.598 1.00 0.00 C ATOM 2101 O ASN A 130 117.512 13.073 -9.188 1.00 0.00 O ATOM 2102 CB ASN A 130 115.385 12.994 -11.894 1.00 0.00 C ATOM 2103 CG ASN A 130 115.898 12.245 -13.126 1.00 0.00 C ATOM 2104 OD1 ASN A 130 116.319 11.110 -13.029 1.00 0.00 O ATOM 2105 ND2 ASN A 130 115.881 12.837 -14.289 1.00 0.00 N ATOM 0 H ASN A 130 114.199 11.938 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 130 116.574 11.514 -10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 130 114.300 13.084 -11.936 1.00 0.00 H new ATOM 0 HB3 ASN A 130 115.789 14.006 -11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 130 116.221 12.346 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 130 115.527 13.790 -14.371 1.00 0.00 H new ATOM 2112 N PRO A 131 115.589 14.195 -9.209 1.00 0.00 N ATOM 2113 CA PRO A 131 116.023 15.210 -8.231 1.00 0.00 C ATOM 2114 C PRO A 131 116.057 14.624 -6.817 1.00 0.00 C ATOM 2115 O PRO A 131 115.278 13.758 -6.471 1.00 0.00 O ATOM 2116 CB PRO A 131 114.960 16.306 -8.346 1.00 0.00 C ATOM 2117 CG PRO A 131 113.707 15.631 -8.949 1.00 0.00 C ATOM 2118 CD PRO A 131 114.203 14.379 -9.695 1.00 0.00 C ATOM 0 HA PRO A 131 117.030 15.580 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 131 114.738 16.737 -7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 131 115.308 17.120 -8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 131 112.997 15.361 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 131 113.190 16.309 -9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 131 113.584 13.510 -9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 131 114.175 14.521 -10.775 1.00 0.00 H new ATOM 2126 N GLU A 132 116.961 15.092 -5.998 1.00 0.00 N ATOM 2127 CA GLU A 132 117.053 14.565 -4.608 1.00 0.00 C ATOM 2128 C GLU A 132 117.718 15.613 -3.711 1.00 0.00 C ATOM 2129 O GLU A 132 118.840 16.018 -3.942 1.00 0.00 O ATOM 2130 CB GLU A 132 117.890 13.284 -4.603 1.00 0.00 C ATOM 2131 CG GLU A 132 119.065 13.437 -5.571 1.00 0.00 C ATOM 2132 CD GLU A 132 120.378 13.219 -4.818 1.00 0.00 C ATOM 2133 OE1 GLU A 132 120.617 13.938 -3.863 1.00 0.00 O ATOM 2134 OE2 GLU A 132 121.124 12.337 -5.212 1.00 0.00 O ATOM 0 H GLU A 132 117.639 15.817 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 132 116.053 14.346 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 132 118.258 13.082 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 132 117.274 12.433 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 132 118.976 12.717 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 132 119.052 14.430 -6.021 1.00 0.00 H new ATOM 2141 N SER A 133 117.037 16.052 -2.689 1.00 0.00 N ATOM 2142 CA SER A 133 117.631 17.071 -1.778 1.00 0.00 C ATOM 2143 C SER A 133 118.010 18.317 -2.582 1.00 0.00 C ATOM 2144 O SER A 133 119.158 18.712 -2.626 1.00 0.00 O ATOM 2145 CB SER A 133 118.880 16.493 -1.112 1.00 0.00 C ATOM 2146 OG SER A 133 118.549 15.261 -0.485 1.00 0.00 O ATOM 0 H SER A 133 116.094 15.749 -2.445 1.00 0.00 H new ATOM 0 HA SER A 133 116.904 17.341 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 133 119.663 16.338 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 133 119.272 17.195 -0.376 1.00 0.00 H new ATOM 0 HG SER A 133 119.348 14.886 -0.058 1.00 0.00 H new ATOM 2152 N SER A 134 117.054 18.938 -3.217 1.00 0.00 N ATOM 2153 CA SER A 134 117.362 20.158 -4.016 1.00 0.00 C ATOM 2154 C SER A 134 116.391 21.276 -3.634 1.00 0.00 C ATOM 2155 O SER A 134 115.233 20.972 -3.395 1.00 0.00 O ATOM 2156 CB SER A 134 117.215 19.841 -5.505 1.00 0.00 C ATOM 2157 OG SER A 134 115.835 19.803 -5.843 1.00 0.00 O ATOM 2158 OXT SER A 134 116.820 22.417 -3.587 1.00 0.00 O ATOM 0 H SER A 134 116.074 18.654 -3.217 1.00 0.00 H new ATOM 0 HA SER A 134 118.383 20.479 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 134 117.727 20.596 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 134 117.684 18.884 -5.733 1.00 0.00 H new ATOM 0 HG SER A 134 115.737 19.602 -6.797 1.00 0.00 H new TER 2164 SER A 134