USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1036 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 125 GLN : amide:sc= -0.339 X(o=-6.4,f=-6.3) USER MOD Set 1.2: A 127 GLN : amide:sc= -6.03 K(o=-6.4,f=-9.1!) USER MOD Set 2.1: A 70 TYR OH : rot 132:sc= -3.23! USER MOD Set 2.2: A 71 ASN : amide:sc= -6.94! C(o=-10!,f=-20!) USER MOD Single : A 1 MET CE :methyl 154:sc= -1.3 (180deg=-1.9) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0357 (180deg=-0.000172) USER MOD Single : A 5 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc=-0.00289 (180deg=-0.121) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.00097) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 40 HIS : no HE2:sc= -1 K(o=-1,f=-1.7) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -4.42! F(o=-5.1,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.039) USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= -0.783 (180deg=-0.821) USER MOD Single : A 72 ASN : amide:sc= -2.2 X(o=-2.2,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.55 F(o=-2.4,f=-0.55) USER MOD Single : A 75 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.051) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -4.69! C(o=-5.4!,f=-4.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 146:sc= -2.53 (180deg=-5.28!) USER MOD Single : A 95 MET CE :methyl -164:sc= -4.55! (180deg=-5.14!) USER MOD Single : A 96 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-5.6!) USER MOD Single : A 97 TYR OH : rot 140:sc= 1.09 USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 103 ASN : amide:sc= -0.935 K(o=-0.94,f=-9.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 177:sc= -1.24 (180deg=-1.36) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.664 USER MOD Single : A 114 LYS NZ :NH3+ -132:sc= -1.86 (180deg=-3.94!) USER MOD Single : A 118 GLN : amide:sc= -5.96 K(o=-6,f=-18!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.142 F(o=-1.1,f=-0.14) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.235 -0.271 15.722 1.00 0.00 N ATOM 2 CA MET A 1 11.328 -0.099 14.248 1.00 0.00 C ATOM 3 C MET A 1 12.048 1.197 13.889 1.00 0.00 C ATOM 4 O MET A 1 12.278 2.050 14.747 1.00 0.00 O ATOM 5 CB MET A 1 9.913 -0.095 13.668 1.00 0.00 C ATOM 6 CG MET A 1 9.804 -0.797 12.324 1.00 0.00 C ATOM 7 SD MET A 1 10.273 -2.536 12.409 1.00 0.00 S ATOM 8 CE MET A 1 9.417 -3.045 13.898 1.00 0.00 C ATOM 0 H1 MET A 1 11.534 -1.233 15.979 1.00 0.00 H new ATOM 0 H2 MET A 1 11.853 0.421 16.192 1.00 0.00 H new ATOM 0 H3 MET A 1 10.252 -0.121 16.028 1.00 0.00 H new ATOM 0 HA MET A 1 11.905 -0.922 13.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.238 -0.576 14.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.577 0.936 13.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.780 -0.718 11.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.440 -0.288 11.600 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.211 -4.114 13.852 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.040 -2.833 14.767 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.478 -2.498 13.983 1.00 0.00 H new ATOM 20 N ALA A 2 12.401 1.339 12.615 1.00 0.00 N ATOM 21 CA ALA A 2 13.094 2.531 12.142 1.00 0.00 C ATOM 22 C ALA A 2 12.259 3.783 12.384 1.00 0.00 C ATOM 23 O ALA A 2 12.798 4.866 12.615 1.00 0.00 O ATOM 24 CB ALA A 2 13.429 2.394 10.665 1.00 0.00 C ATOM 0 H ALA A 2 12.218 0.643 11.892 1.00 0.00 H new ATOM 0 HA ALA A 2 14.022 2.631 12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.946 3.291 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.072 1.526 10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.510 2.267 10.094 1.00 0.00 H new ATOM 30 N ASP A 3 10.940 3.629 12.329 1.00 0.00 N ATOM 31 CA ASP A 3 10.030 4.748 12.542 1.00 0.00 C ATOM 32 C ASP A 3 10.260 5.842 11.504 1.00 0.00 C ATOM 33 O ASP A 3 10.922 6.843 11.778 1.00 0.00 O ATOM 34 CB ASP A 3 10.211 5.319 13.950 1.00 0.00 C ATOM 35 CG ASP A 3 9.456 4.526 14.997 1.00 0.00 C ATOM 36 OD1 ASP A 3 8.287 4.167 14.742 1.00 0.00 O ATOM 37 OD2 ASP A 3 10.033 4.262 16.073 1.00 0.00 O1- ATOM 0 H ASP A 3 10.478 2.740 12.139 1.00 0.00 H new ATOM 0 HA ASP A 3 9.010 4.379 12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.272 5.329 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.869 6.354 13.966 1.00 0.00 H new ATOM 42 N GLU A 4 9.709 5.643 10.311 1.00 0.00 N ATOM 43 CA GLU A 4 9.854 6.613 9.231 1.00 0.00 C ATOM 44 C GLU A 4 8.933 7.809 9.447 1.00 0.00 C ATOM 45 O GLU A 4 9.381 8.888 9.835 1.00 0.00 O ATOM 46 CB GLU A 4 9.550 5.956 7.884 1.00 0.00 C ATOM 47 CG GLU A 4 10.722 5.178 7.307 1.00 0.00 C ATOM 48 CD GLU A 4 11.159 4.034 8.202 1.00 0.00 C ATOM 49 OE1 GLU A 4 11.692 4.308 9.298 1.00 0.00 O1- ATOM 50 OE2 GLU A 4 10.968 2.865 7.806 1.00 0.00 O ATOM 0 H GLU A 4 9.158 4.820 10.068 1.00 0.00 H new ATOM 0 HA GLU A 4 10.885 6.967 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.701 5.283 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.251 6.726 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.446 4.784 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.562 5.855 7.152 1.00 0.00 H new ATOM 57 N GLN A 5 7.645 7.609 9.193 1.00 0.00 N ATOM 58 CA GLN A 5 6.659 8.671 9.359 1.00 0.00 C ATOM 59 C GLN A 5 5.449 8.172 10.147 1.00 0.00 C ATOM 60 O GLN A 5 4.310 8.284 9.693 1.00 0.00 O ATOM 61 CB GLN A 5 6.214 9.200 7.994 1.00 0.00 C ATOM 62 CG GLN A 5 7.364 9.430 7.026 1.00 0.00 C ATOM 63 CD GLN A 5 7.272 10.768 6.319 1.00 0.00 C ATOM 64 OE1 GLN A 5 6.999 10.833 5.120 1.00 0.00 O ATOM 65 NE2 GLN A 5 7.502 11.846 7.060 1.00 0.00 N ATOM 0 H GLN A 5 7.259 6.721 8.871 1.00 0.00 H new ATOM 0 HA GLN A 5 7.124 9.482 9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.513 8.493 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.676 10.137 8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.308 9.374 7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.375 8.631 6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.725 11.746 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.456 12.774 6.639 1.00 0.00 H new ATOM 74 N PRO A 6 5.682 7.610 11.346 1.00 0.00 N ATOM 75 CA PRO A 6 4.606 7.093 12.198 1.00 0.00 C ATOM 76 C PRO A 6 3.752 8.207 12.794 1.00 0.00 C ATOM 77 O PRO A 6 2.572 8.011 13.082 1.00 0.00 O ATOM 78 CB PRO A 6 5.356 6.346 13.303 1.00 0.00 C ATOM 79 CG PRO A 6 6.688 7.009 13.370 1.00 0.00 C ATOM 80 CD PRO A 6 7.010 7.436 11.965 1.00 0.00 C ATOM 0 HA PRO A 6 3.909 6.468 11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.830 6.416 14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.453 5.286 13.069 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.663 7.867 14.042 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.445 6.325 13.753 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.585 8.362 11.949 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.601 6.684 11.442 1.00 0.00 H new ATOM 88 N LYS A 7 4.357 9.377 12.976 1.00 0.00 N ATOM 89 CA LYS A 7 3.651 10.523 13.538 1.00 0.00 C ATOM 90 C LYS A 7 3.835 11.758 12.662 1.00 0.00 C ATOM 91 O LYS A 7 4.868 12.426 12.723 1.00 0.00 O ATOM 92 CB LYS A 7 4.148 10.809 14.956 1.00 0.00 C ATOM 93 CG LYS A 7 3.382 10.058 16.032 1.00 0.00 C ATOM 94 CD LYS A 7 3.341 10.840 17.335 1.00 0.00 C ATOM 95 CE LYS A 7 2.392 12.024 17.244 1.00 0.00 C ATOM 96 NZ LYS A 7 0.967 11.593 17.217 1.00 0.00 N1+ ATOM 0 H LYS A 7 5.334 9.556 12.743 1.00 0.00 H new ATOM 0 HA LYS A 7 2.589 10.282 13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.204 10.545 15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.074 11.879 15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.365 9.866 15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.849 9.088 16.203 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.027 10.182 18.146 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.343 11.193 17.580 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.555 12.686 18.095 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.614 12.599 16.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.352 12.417 17.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.749 11.172 16.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.803 10.889 17.965 1.00 0.00 H new ATOM 110 N LYS A 8 2.828 12.057 11.849 1.00 0.00 N ATOM 111 CA LYS A 8 2.878 13.213 10.961 1.00 0.00 C ATOM 112 C LYS A 8 1.560 13.379 10.209 1.00 0.00 C ATOM 113 O LYS A 8 0.734 12.466 10.177 1.00 0.00 O ATOM 114 CB LYS A 8 4.033 13.068 9.967 1.00 0.00 C ATOM 115 CG LYS A 8 5.294 13.805 10.388 1.00 0.00 C ATOM 116 CD LYS A 8 6.014 14.406 9.192 1.00 0.00 C ATOM 117 CE LYS A 8 7.164 15.301 9.626 1.00 0.00 C ATOM 118 NZ LYS A 8 6.778 16.739 9.630 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.966 11.515 11.786 1.00 0.00 H new ATOM 0 HA LYS A 8 3.041 14.102 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.265 12.010 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.713 13.440 8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.036 14.595 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.962 13.118 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.394 13.607 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.309 14.983 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.493 15.011 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.011 15.154 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.589 17.315 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.488 17.023 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.986 16.884 10.289 1.00 0.00 H new ATOM 132 N PRO A 9 1.344 14.552 9.589 1.00 0.00 N ATOM 133 CA PRO A 9 0.119 14.833 8.834 1.00 0.00 C ATOM 134 C PRO A 9 0.014 13.988 7.569 1.00 0.00 C ATOM 135 O PRO A 9 0.897 13.182 7.274 1.00 0.00 O ATOM 136 CB PRO A 9 0.248 16.316 8.477 1.00 0.00 C ATOM 137 CG PRO A 9 1.712 16.589 8.507 1.00 0.00 C ATOM 138 CD PRO A 9 2.277 15.694 9.575 1.00 0.00 C ATOM 0 HA PRO A 9 -0.776 14.598 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.173 16.524 7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.286 16.943 9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.168 16.379 7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.909 17.637 8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.294 15.380 9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.314 16.195 10.542 1.00 0.00 H new ATOM 146 N VAL A 10 -1.071 14.177 6.824 1.00 0.00 N ATOM 147 CA VAL A 10 -1.289 13.430 5.591 1.00 0.00 C ATOM 148 C VAL A 10 -1.724 14.356 4.456 1.00 0.00 C ATOM 149 O VAL A 10 -2.267 15.435 4.695 1.00 0.00 O ATOM 150 CB VAL A 10 -2.344 12.319 5.786 1.00 0.00 C ATOM 151 CG1 VAL A 10 -2.043 11.512 7.039 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.747 12.905 5.848 1.00 0.00 C ATOM 0 H VAL A 10 -1.812 14.840 7.053 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.339 12.967 5.325 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.296 11.651 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.797 10.734 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.059 11.053 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.058 12.170 7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.471 12.102 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.814 13.601 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.962 13.432 4.919 1.00 0.00 H new ATOM 162 N PRO A 11 -1.490 13.942 3.200 1.00 0.00 N ATOM 163 CA PRO A 11 -1.857 14.733 2.023 1.00 0.00 C ATOM 164 C PRO A 11 -3.354 14.682 1.735 1.00 0.00 C ATOM 165 O PRO A 11 -4.140 14.218 2.561 1.00 0.00 O ATOM 166 CB PRO A 11 -1.073 14.062 0.897 1.00 0.00 C ATOM 167 CG PRO A 11 -0.941 12.642 1.327 1.00 0.00 C ATOM 168 CD PRO A 11 -0.847 12.667 2.830 1.00 0.00 C ATOM 0 HA PRO A 11 -1.630 15.791 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.599 14.141 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.097 14.528 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.799 12.055 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.055 12.183 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.360 11.815 3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.189 12.628 3.167 1.00 0.00 H new ATOM 176 N ALA A 12 -3.741 15.160 0.557 1.00 0.00 N ATOM 177 CA ALA A 12 -5.144 15.168 0.159 1.00 0.00 C ATOM 178 C ALA A 12 -5.291 14.906 -1.336 1.00 0.00 C ATOM 179 O ALA A 12 -4.784 15.665 -2.162 1.00 0.00 O ATOM 180 CB ALA A 12 -5.791 16.493 0.530 1.00 0.00 C ATOM 0 H ALA A 12 -3.103 15.547 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.652 14.366 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.838 16.484 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.727 16.640 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.273 17.306 0.021 1.00 0.00 H new ATOM 186 N ALA A 13 -5.986 13.826 -1.677 1.00 0.00 N ATOM 187 CA ALA A 13 -6.200 13.463 -3.073 1.00 0.00 C ATOM 188 C ALA A 13 -7.097 12.236 -3.190 1.00 0.00 C ATOM 189 O ALA A 13 -7.420 11.593 -2.191 1.00 0.00 O ATOM 190 CB ALA A 13 -4.868 13.212 -3.763 1.00 0.00 C ATOM 0 H ALA A 13 -6.411 13.187 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.701 14.296 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.043 12.942 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.260 14.116 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.345 12.398 -3.260 1.00 0.00 H new ATOM 196 N GLU A 14 -7.497 11.916 -4.417 1.00 0.00 N ATOM 197 CA GLU A 14 -8.357 10.765 -4.665 1.00 0.00 C ATOM 198 C GLU A 14 -8.615 10.591 -6.159 1.00 0.00 C ATOM 199 O GLU A 14 -9.478 11.255 -6.732 1.00 0.00 O ATOM 200 CB GLU A 14 -9.686 10.924 -3.923 1.00 0.00 C ATOM 201 CG GLU A 14 -10.326 9.602 -3.533 1.00 0.00 C ATOM 202 CD GLU A 14 -11.800 9.743 -3.206 1.00 0.00 C ATOM 203 OE1 GLU A 14 -12.214 10.846 -2.793 1.00 0.00 O ATOM 204 OE2 GLU A 14 -12.540 8.749 -3.363 1.00 0.00 O1- ATOM 0 H GLU A 14 -7.239 12.438 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.846 9.876 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.522 11.518 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.379 11.482 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.205 8.889 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.804 9.190 -2.670 1.00 0.00 H new ATOM 211 N GLU A 15 -7.860 9.693 -6.783 1.00 0.00 N ATOM 212 CA GLU A 15 -8.007 9.431 -8.211 1.00 0.00 C ATOM 213 C GLU A 15 -7.084 8.301 -8.656 1.00 0.00 C ATOM 214 O GLU A 15 -6.334 7.746 -7.853 1.00 0.00 O ATOM 215 CB GLU A 15 -7.707 10.697 -9.016 1.00 0.00 C ATOM 216 CG GLU A 15 -6.313 11.255 -8.776 1.00 0.00 C ATOM 217 CD GLU A 15 -5.739 11.935 -10.002 1.00 0.00 C ATOM 218 OE1 GLU A 15 -5.424 11.227 -10.982 1.00 0.00 O ATOM 219 OE2 GLU A 15 -5.604 13.177 -9.984 1.00 0.00 O1- ATOM 0 H GLU A 15 -7.141 9.135 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.037 9.127 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.824 10.479 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.443 11.460 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.348 11.968 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.650 10.446 -8.470 1.00 0.00 H new ATOM 226 N ALA A 16 -7.145 7.966 -9.940 1.00 0.00 N ATOM 227 CA ALA A 16 -6.315 6.903 -10.493 1.00 0.00 C ATOM 228 C ALA A 16 -5.714 7.317 -11.834 1.00 0.00 C ATOM 229 O ALA A 16 -6.113 8.326 -12.417 1.00 0.00 O ATOM 230 CB ALA A 16 -7.129 5.626 -10.647 1.00 0.00 C ATOM 0 H ALA A 16 -7.761 8.416 -10.617 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.495 6.717 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.498 4.840 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.505 5.314 -9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.968 5.808 -11.318 1.00 0.00 H new ATOM 236 N PRO A 17 -4.742 6.541 -12.344 1.00 0.00 N ATOM 237 CA PRO A 17 -4.087 6.834 -13.622 1.00 0.00 C ATOM 238 C PRO A 17 -4.995 6.558 -14.815 1.00 0.00 C ATOM 239 O PRO A 17 -6.151 6.168 -14.651 1.00 0.00 O ATOM 240 CB PRO A 17 -2.889 5.883 -13.630 1.00 0.00 C ATOM 241 CG PRO A 17 -3.311 4.739 -12.776 1.00 0.00 C ATOM 242 CD PRO A 17 -4.206 5.318 -11.714 1.00 0.00 C ATOM 0 HA PRO A 17 -3.815 7.886 -13.710 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.650 5.555 -14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.997 6.366 -13.232 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.839 3.988 -13.364 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.447 4.246 -12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.002 4.626 -11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.653 5.545 -10.803 1.00 0.00 H new ATOM 250 N ALA A 18 -4.465 6.763 -16.016 1.00 0.00 N ATOM 251 CA ALA A 18 -5.228 6.537 -17.237 1.00 0.00 C ATOM 252 C ALA A 18 -4.722 5.304 -17.979 1.00 0.00 C ATOM 253 O ALA A 18 -3.827 5.397 -18.819 1.00 0.00 O ATOM 254 CB ALA A 18 -5.159 7.761 -18.137 1.00 0.00 C ATOM 0 H ALA A 18 -3.510 7.085 -16.170 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.267 6.362 -16.960 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.733 7.578 -19.045 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.574 8.622 -17.613 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.120 7.962 -18.399 1.00 0.00 H new ATOM 260 N ALA A 19 -5.302 4.151 -17.664 1.00 0.00 N ATOM 261 CA ALA A 19 -4.910 2.899 -18.301 1.00 0.00 C ATOM 262 C ALA A 19 -5.805 1.750 -17.851 1.00 0.00 C ATOM 263 O ALA A 19 -6.193 0.901 -18.654 1.00 0.00 O ATOM 264 CB ALA A 19 -3.452 2.586 -17.996 1.00 0.00 C ATOM 0 H ALA A 19 -6.045 4.057 -16.972 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.028 3.016 -19.378 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.173 1.649 -18.478 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.821 3.390 -18.373 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.317 2.494 -16.918 1.00 0.00 H new ATOM 270 N GLU A 20 -6.130 1.729 -16.562 1.00 0.00 N ATOM 271 CA GLU A 20 -6.980 0.684 -16.005 1.00 0.00 C ATOM 272 C GLU A 20 -6.339 -0.689 -16.180 1.00 0.00 C ATOM 273 O GLU A 20 -5.220 -0.804 -16.678 1.00 0.00 O ATOM 274 CB GLU A 20 -8.356 0.706 -16.673 1.00 0.00 C ATOM 275 CG GLU A 20 -9.357 1.611 -15.974 1.00 0.00 C ATOM 276 CD GLU A 20 -9.433 2.989 -16.600 1.00 0.00 C ATOM 277 OE1 GLU A 20 -10.209 3.161 -17.564 1.00 0.00 O ATOM 278 OE2 GLU A 20 -8.718 3.897 -16.126 1.00 0.00 O1- ATOM 0 H GLU A 20 -5.817 2.424 -15.884 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.099 0.877 -14.939 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.244 1.033 -17.707 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.754 -0.309 -16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.343 1.147 -16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.082 1.708 -14.924 1.00 0.00 H new ATOM 285 N ALA A 21 -7.057 -1.729 -15.766 1.00 0.00 N ATOM 286 CA ALA A 21 -6.558 -3.094 -15.877 1.00 0.00 C ATOM 287 C ALA A 21 -5.273 -3.276 -15.076 1.00 0.00 C ATOM 288 O ALA A 21 -4.884 -2.403 -14.301 1.00 0.00 O ATOM 289 CB ALA A 21 -6.329 -3.455 -17.336 1.00 0.00 C ATOM 0 H ALA A 21 -7.986 -1.652 -15.351 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.311 -3.765 -15.463 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.956 -4.477 -17.404 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.269 -3.374 -17.883 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.598 -2.773 -17.769 1.00 0.00 H new ATOM 295 N GLU A 22 -4.618 -4.416 -15.269 1.00 0.00 N ATOM 296 CA GLU A 22 -3.376 -4.713 -14.565 1.00 0.00 C ATOM 297 C GLU A 22 -2.274 -5.101 -15.546 1.00 0.00 C ATOM 298 O GLU A 22 -1.141 -4.631 -15.440 1.00 0.00 O ATOM 299 CB GLU A 22 -3.595 -5.840 -13.554 1.00 0.00 C ATOM 300 CG GLU A 22 -4.048 -5.352 -12.188 1.00 0.00 C ATOM 301 CD GLU A 22 -4.055 -6.455 -11.148 1.00 0.00 C ATOM 302 OE1 GLU A 22 -5.071 -7.176 -11.054 1.00 0.00 O ATOM 303 OE2 GLU A 22 -3.045 -6.598 -10.428 1.00 0.00 O1- ATOM 0 H GLU A 22 -4.927 -5.149 -15.907 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.065 -3.814 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.339 -6.531 -13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.667 -6.401 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.390 -4.549 -11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.049 -4.929 -12.271 1.00 0.00 H new ATOM 310 N ALA A 23 -2.614 -5.961 -16.500 1.00 0.00 N ATOM 311 CA ALA A 23 -1.653 -6.413 -17.500 1.00 0.00 C ATOM 312 C ALA A 23 -0.477 -7.130 -16.846 1.00 0.00 C ATOM 313 O ALA A 23 -0.508 -7.434 -15.654 1.00 0.00 O ATOM 314 CB ALA A 23 -1.162 -5.235 -18.328 1.00 0.00 C ATOM 0 H ALA A 23 -3.548 -6.359 -16.602 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.155 -7.122 -18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.445 -5.586 -19.071 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.008 -4.767 -18.832 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.681 -4.507 -17.675 1.00 0.00 H new ATOM 320 N GLU A 24 0.558 -7.398 -17.635 1.00 0.00 N ATOM 321 CA GLU A 24 1.745 -8.080 -17.133 1.00 0.00 C ATOM 322 C GLU A 24 1.393 -9.467 -16.604 1.00 0.00 C ATOM 323 O GLU A 24 0.244 -9.899 -16.685 1.00 0.00 O ATOM 324 CB GLU A 24 2.406 -7.253 -16.028 1.00 0.00 C ATOM 325 CG GLU A 24 3.434 -6.260 -16.544 1.00 0.00 C ATOM 326 CD GLU A 24 4.777 -6.905 -16.826 1.00 0.00 C ATOM 327 OE1 GLU A 24 4.876 -7.664 -17.813 1.00 0.00 O ATOM 328 OE2 GLU A 24 5.730 -6.652 -16.059 1.00 0.00 O1- ATOM 0 H GLU A 24 0.599 -7.153 -18.624 1.00 0.00 H new ATOM 0 HA GLU A 24 2.445 -8.193 -17.961 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.635 -6.713 -15.479 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.888 -7.927 -15.320 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.059 -5.796 -17.456 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.564 -5.464 -15.811 1.00 0.00 H new ATOM 335 N GLU A 25 2.390 -10.158 -16.062 1.00 0.00 N ATOM 336 CA GLU A 25 2.186 -11.496 -15.520 1.00 0.00 C ATOM 337 C GLU A 25 3.073 -11.731 -14.301 1.00 0.00 C ATOM 338 O GLU A 25 4.185 -12.247 -14.421 1.00 0.00 O ATOM 339 CB GLU A 25 2.476 -12.552 -16.588 1.00 0.00 C ATOM 340 CG GLU A 25 2.236 -13.977 -16.116 1.00 0.00 C ATOM 341 CD GLU A 25 3.007 -14.998 -16.929 1.00 0.00 C ATOM 342 OE1 GLU A 25 2.793 -15.063 -18.158 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 3.825 -15.734 -16.337 1.00 0.00 O ATOM 0 H GLU A 25 3.347 -9.814 -15.986 1.00 0.00 H new ATOM 0 HA GLU A 25 1.144 -11.580 -15.210 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.851 -12.357 -17.459 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.512 -12.455 -16.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.522 -14.062 -15.068 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.171 -14.201 -16.175 1.00 0.00 H new ATOM 350 N GLU A 26 2.575 -11.350 -13.130 1.00 0.00 N ATOM 351 CA GLU A 26 3.322 -11.519 -11.889 1.00 0.00 C ATOM 352 C GLU A 26 2.706 -12.616 -11.028 1.00 0.00 C ATOM 353 O GLU A 26 3.416 -13.443 -10.456 1.00 0.00 O ATOM 354 CB GLU A 26 3.361 -10.204 -11.109 1.00 0.00 C ATOM 355 CG GLU A 26 1.993 -9.728 -10.650 1.00 0.00 C ATOM 356 CD GLU A 26 1.977 -8.254 -10.295 1.00 0.00 C ATOM 357 OE1 GLU A 26 2.635 -7.465 -11.006 1.00 0.00 O ATOM 358 OE2 GLU A 26 1.306 -7.888 -9.307 1.00 0.00 O1- ATOM 0 H GLU A 26 1.657 -10.922 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 26 4.340 -11.812 -12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.005 -10.327 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.814 -9.434 -11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.264 -9.916 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.682 -10.310 -9.783 1.00 0.00 H new ATOM 365 N GLU A 27 1.380 -12.618 -10.940 1.00 0.00 N ATOM 366 CA GLU A 27 0.667 -13.613 -10.149 1.00 0.00 C ATOM 367 C GLU A 27 -0.709 -13.897 -10.742 1.00 0.00 C ATOM 368 O GLU A 27 -1.227 -13.113 -11.537 1.00 0.00 O ATOM 369 CB GLU A 27 0.523 -13.138 -8.702 1.00 0.00 C ATOM 370 CG GLU A 27 1.682 -13.548 -7.808 1.00 0.00 C ATOM 371 CD GLU A 27 1.341 -14.725 -6.916 1.00 0.00 C ATOM 372 OE1 GLU A 27 0.250 -14.714 -6.309 1.00 0.00 O ATOM 373 OE2 GLU A 27 2.166 -15.659 -6.824 1.00 0.00 O1- ATOM 0 H GLU A 27 0.777 -11.941 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 27 1.247 -14.536 -10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.434 -12.052 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.403 -13.537 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.542 -13.803 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.976 -12.701 -7.189 1.00 0.00 H new ATOM 380 N GLY A 28 -1.296 -15.024 -10.351 1.00 0.00 N ATOM 381 CA GLY A 28 -2.606 -15.391 -10.854 1.00 0.00 C ATOM 382 C GLY A 28 -3.731 -14.760 -10.057 1.00 0.00 C ATOM 383 O GLY A 28 -4.605 -15.459 -9.543 1.00 0.00 O ATOM 0 H GLY A 28 -0.887 -15.689 -9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.689 -15.087 -11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.711 -16.476 -10.829 1.00 0.00 H new ATOM 387 N LEU A 29 -3.711 -13.435 -9.954 1.00 0.00 N ATOM 388 CA LEU A 29 -4.737 -12.710 -9.214 1.00 0.00 C ATOM 389 C LEU A 29 -5.664 -11.958 -10.164 1.00 0.00 C ATOM 390 O LEU A 29 -5.208 -11.226 -11.042 1.00 0.00 O ATOM 391 CB LEU A 29 -4.090 -11.730 -8.232 1.00 0.00 C ATOM 392 CG LEU A 29 -4.911 -11.438 -6.975 1.00 0.00 C ATOM 393 CD1 LEU A 29 -6.167 -10.657 -7.328 1.00 0.00 C ATOM 394 CD2 LEU A 29 -5.267 -12.732 -6.260 1.00 0.00 C ATOM 0 H LEU A 29 -2.995 -12.842 -10.374 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.329 -13.436 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.121 -12.128 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.901 -10.790 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.308 -10.829 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.739 -10.458 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.889 -9.713 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.775 -11.239 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.851 -12.506 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.852 -13.366 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.353 -13.252 -5.973 1.00 0.00 H new ATOM 406 N HIS A 30 -6.967 -12.144 -9.981 1.00 0.00 N ATOM 407 CA HIS A 30 -7.958 -11.483 -10.821 1.00 0.00 C ATOM 408 C HIS A 30 -9.189 -11.096 -10.009 1.00 0.00 C ATOM 409 O HIS A 30 -9.996 -11.950 -9.640 1.00 0.00 O ATOM 410 CB HIS A 30 -8.365 -12.396 -11.980 1.00 0.00 C ATOM 411 CG HIS A 30 -8.914 -11.656 -13.160 1.00 0.00 C ATOM 412 ND1 HIS A 30 -8.207 -11.473 -14.330 1.00 0.00 N ATOM 413 CD2 HIS A 30 -10.111 -11.050 -13.348 1.00 0.00 C ATOM 414 CE1 HIS A 30 -8.944 -10.787 -15.185 1.00 0.00 C ATOM 415 NE2 HIS A 30 -10.104 -10.519 -14.614 1.00 0.00 N ATOM 0 H HIS A 30 -7.361 -12.747 -9.259 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.509 -10.574 -11.222 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.498 -12.976 -12.296 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.113 -13.106 -11.627 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.920 -10.995 -12.635 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.648 -10.495 -16.182 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.871 -10.001 -15.044 1.00 0.00 H new ATOM 424 N LEU A 31 -9.327 -9.803 -9.732 1.00 0.00 N ATOM 425 CA LEU A 31 -10.460 -9.302 -8.963 1.00 0.00 C ATOM 426 C LEU A 31 -11.145 -8.150 -9.690 1.00 0.00 C ATOM 427 O LEU A 31 -10.486 -7.312 -10.305 1.00 0.00 O ATOM 428 CB LEU A 31 -10.000 -8.844 -7.577 1.00 0.00 C ATOM 429 CG LEU A 31 -11.004 -9.084 -6.449 1.00 0.00 C ATOM 430 CD1 LEU A 31 -12.228 -8.199 -6.626 1.00 0.00 C ATOM 431 CD2 LEU A 31 -11.407 -10.550 -6.399 1.00 0.00 C ATOM 0 H LEU A 31 -8.668 -9.083 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.178 -10.114 -8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.071 -9.358 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.773 -7.779 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.528 -8.825 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.931 -8.384 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.925 -7.152 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.706 -8.426 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.122 -10.703 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.864 -10.834 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.524 -11.164 -6.224 1.00 0.00 H new ATOM 443 N GLU A 32 -12.472 -8.116 -9.616 1.00 0.00 N ATOM 444 CA GLU A 32 -13.247 -7.066 -10.268 1.00 0.00 C ATOM 445 C GLU A 32 -14.271 -6.470 -9.308 1.00 0.00 C ATOM 446 O GLU A 32 -15.355 -7.022 -9.120 1.00 0.00 O ATOM 447 CB GLU A 32 -13.954 -7.620 -11.507 1.00 0.00 C ATOM 448 CG GLU A 32 -14.032 -6.629 -12.656 1.00 0.00 C ATOM 449 CD GLU A 32 -13.783 -7.277 -14.003 1.00 0.00 C ATOM 450 OE1 GLU A 32 -12.968 -8.222 -14.066 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -14.401 -6.840 -14.997 1.00 0.00 O ATOM 0 H GLU A 32 -13.033 -8.803 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.559 -6.277 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.430 -8.514 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.964 -7.926 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.016 -6.159 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.301 -5.836 -12.498 1.00 0.00 H new ATOM 458 N ASP A 33 -13.920 -5.340 -8.703 1.00 0.00 N ATOM 459 CA ASP A 33 -14.808 -4.668 -7.762 1.00 0.00 C ATOM 460 C ASP A 33 -15.116 -3.247 -8.223 1.00 0.00 C ATOM 461 O ASP A 33 -16.213 -2.964 -8.704 1.00 0.00 O ATOM 462 CB ASP A 33 -14.180 -4.639 -6.367 1.00 0.00 C ATOM 463 CG ASP A 33 -14.567 -5.845 -5.533 1.00 0.00 C ATOM 464 OD1 ASP A 33 -15.634 -6.435 -5.803 1.00 0.00 O ATOM 465 OD2 ASP A 33 -13.802 -6.199 -4.612 1.00 0.00 O1- ATOM 0 H ASP A 33 -13.026 -4.870 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.742 -5.228 -7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.095 -4.599 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.489 -3.730 -5.851 1.00 0.00 H new ATOM 470 N ASP A 34 -14.139 -2.358 -8.075 1.00 0.00 N ATOM 471 CA ASP A 34 -14.305 -0.966 -8.477 1.00 0.00 C ATOM 472 C ASP A 34 -12.964 -0.345 -8.853 1.00 0.00 C ATOM 473 O ASP A 34 -12.827 0.264 -9.914 1.00 0.00 O ATOM 474 CB ASP A 34 -14.955 -0.162 -7.350 1.00 0.00 C ATOM 475 CG ASP A 34 -14.291 -0.404 -6.009 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.402 -1.533 -5.486 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -13.660 0.536 -5.481 1.00 0.00 O ATOM 0 H ASP A 34 -13.224 -2.577 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.954 -0.941 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.906 0.900 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.011 -0.425 -7.282 1.00 0.00 H new ATOM 482 N GLN A 35 -11.978 -0.502 -7.976 1.00 0.00 N ATOM 483 CA GLN A 35 -10.647 0.044 -8.217 1.00 0.00 C ATOM 484 C GLN A 35 -9.689 -0.343 -7.094 1.00 0.00 C ATOM 485 O GLN A 35 -9.356 0.478 -6.238 1.00 0.00 O ATOM 486 CB GLN A 35 -10.713 1.567 -8.347 1.00 0.00 C ATOM 487 CG GLN A 35 -9.692 2.140 -9.316 1.00 0.00 C ATOM 488 CD GLN A 35 -10.302 2.509 -10.654 1.00 0.00 C ATOM 489 OE1 GLN A 35 -11.123 3.422 -10.744 1.00 0.00 O ATOM 490 NE2 GLN A 35 -9.902 1.799 -11.703 1.00 0.00 N ATOM 0 H GLN A 35 -12.075 -1.002 -7.093 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.272 -0.376 -9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.713 1.852 -8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.560 2.014 -7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.233 3.024 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.896 1.412 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.219 1.051 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.278 2.002 -12.629 1.00 0.00 H new ATOM 499 N GLU A 36 -9.250 -1.597 -7.103 1.00 0.00 N ATOM 500 CA GLU A 36 -8.331 -2.093 -6.085 1.00 0.00 C ATOM 501 C GLU A 36 -8.942 -1.968 -4.691 1.00 0.00 C ATOM 502 O GLU A 36 -8.664 -1.014 -3.966 1.00 0.00 O ATOM 503 CB GLU A 36 -7.009 -1.325 -6.145 1.00 0.00 C ATOM 504 CG GLU A 36 -6.085 -1.790 -7.259 1.00 0.00 C ATOM 505 CD GLU A 36 -6.717 -1.663 -8.632 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.631 -2.457 -8.941 1.00 0.00 O ATOM 507 OE2 GLU A 36 -6.299 -0.769 -9.397 1.00 0.00 O1- ATOM 0 H GLU A 36 -9.516 -2.289 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.141 -3.147 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.221 -0.264 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.494 -1.429 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.165 -1.206 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.807 -2.830 -7.086 1.00 0.00 H new ATOM 514 N PRO A 37 -9.786 -2.938 -4.298 1.00 0.00 N ATOM 515 CA PRO A 37 -10.437 -2.932 -2.984 1.00 0.00 C ATOM 516 C PRO A 37 -9.439 -2.760 -1.844 1.00 0.00 C ATOM 517 O PRO A 37 -8.230 -2.699 -2.068 1.00 0.00 O ATOM 518 CB PRO A 37 -11.101 -4.309 -2.909 1.00 0.00 C ATOM 519 CG PRO A 37 -11.319 -4.702 -4.329 1.00 0.00 C ATOM 520 CD PRO A 37 -10.172 -4.113 -5.102 1.00 0.00 C ATOM 0 HA PRO A 37 -11.135 -2.101 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.465 -5.028 -2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.042 -4.265 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.345 -5.787 -4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.273 -4.324 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.349 -4.820 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.471 -3.829 -6.111 1.00 0.00 H new ATOM 528 N ARG A 38 -9.952 -2.683 -0.621 1.00 0.00 N ATOM 529 CA ARG A 38 -9.106 -2.518 0.555 1.00 0.00 C ATOM 530 C ARG A 38 -9.484 -3.518 1.643 1.00 0.00 C ATOM 531 O ARG A 38 -10.328 -4.389 1.432 1.00 0.00 O ATOM 532 CB ARG A 38 -9.220 -1.092 1.096 1.00 0.00 C ATOM 533 CG ARG A 38 -10.612 -0.739 1.594 1.00 0.00 C ATOM 534 CD ARG A 38 -10.770 -1.054 3.073 1.00 0.00 C ATOM 535 NE ARG A 38 -11.714 -0.151 3.727 1.00 0.00 N ATOM 536 CZ ARG A 38 -13.029 -0.180 3.524 1.00 0.00 C ATOM 537 NH1 ARG A 38 -13.560 -1.064 2.689 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.816 0.677 4.160 1.00 0.00 N ATOM 0 H ARG A 38 -10.950 -2.732 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.074 -2.705 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.508 -0.964 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.935 -0.391 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.803 0.321 1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.356 -1.293 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.112 -2.082 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.800 -0.982 3.565 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.344 0.542 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.960 -1.727 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.569 -1.081 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.413 1.358 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.824 0.656 4.005 1.00 0.00 H new ATOM 552 N GLU A 39 -8.854 -3.387 2.806 1.00 0.00 N ATOM 553 CA GLU A 39 -9.125 -4.279 3.927 1.00 0.00 C ATOM 554 C GLU A 39 -9.353 -3.487 5.210 1.00 0.00 C ATOM 555 O GLU A 39 -9.112 -2.281 5.258 1.00 0.00 O ATOM 556 CB GLU A 39 -7.966 -5.259 4.117 1.00 0.00 C ATOM 557 CG GLU A 39 -8.408 -6.645 4.558 1.00 0.00 C ATOM 558 CD GLU A 39 -8.204 -6.878 6.042 1.00 0.00 C ATOM 559 OE1 GLU A 39 -7.276 -6.270 6.616 1.00 0.00 O ATOM 560 OE2 GLU A 39 -8.973 -7.667 6.631 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.152 -2.672 2.996 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.032 -4.840 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.415 -5.343 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.276 -4.854 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.462 -6.781 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.852 -7.395 3.996 1.00 0.00 H new ATOM 567 N HIS A 40 -9.819 -4.174 6.248 1.00 0.00 N ATOM 568 CA HIS A 40 -10.079 -3.535 7.533 1.00 0.00 C ATOM 569 C HIS A 40 -9.004 -3.903 8.553 1.00 0.00 C ATOM 570 O HIS A 40 -9.150 -4.871 9.299 1.00 0.00 O ATOM 571 CB HIS A 40 -11.457 -3.941 8.059 1.00 0.00 C ATOM 572 CG HIS A 40 -11.708 -5.416 8.001 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.470 -6.263 9.064 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.179 -6.197 7.000 1.00 0.00 C ATOM 575 CE1 HIS A 40 -11.784 -7.499 8.719 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.217 -7.486 7.472 1.00 0.00 N ATOM 0 H HIS A 40 -10.024 -5.173 6.224 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.058 -2.456 7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.557 -3.604 9.091 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.224 -3.427 7.480 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -11.108 -5.979 9.974 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.471 -5.867 6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.701 -8.372 9.350 1.00 0.00 H new ATOM 585 N PRO A 41 -7.903 -3.132 8.597 1.00 0.00 N ATOM 586 CA PRO A 41 -6.801 -3.383 9.532 1.00 0.00 C ATOM 587 C PRO A 41 -7.192 -3.096 10.978 1.00 0.00 C ATOM 588 O PRO A 41 -8.217 -2.467 11.241 1.00 0.00 O ATOM 589 CB PRO A 41 -5.713 -2.411 9.070 1.00 0.00 C ATOM 590 CG PRO A 41 -6.451 -1.313 8.385 1.00 0.00 C ATOM 591 CD PRO A 41 -7.648 -1.958 7.742 1.00 0.00 C ATOM 0 HA PRO A 41 -6.489 -4.427 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.135 -2.033 9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.009 -2.897 8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.756 -0.545 9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.822 -0.826 7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.504 -1.284 7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.443 -2.248 6.711 1.00 0.00 H new ATOM 599 N ILE A 42 -6.369 -3.562 11.911 1.00 0.00 N ATOM 600 CA ILE A 42 -6.628 -3.356 13.331 1.00 0.00 C ATOM 601 C ILE A 42 -5.555 -2.474 13.963 1.00 0.00 C ATOM 602 O ILE A 42 -4.448 -2.353 13.438 1.00 0.00 O ATOM 603 CB ILE A 42 -6.696 -4.697 14.090 1.00 0.00 C ATOM 604 CG1 ILE A 42 -7.091 -4.467 15.550 1.00 0.00 C ATOM 605 CG2 ILE A 42 -5.363 -5.424 14.004 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.392 -5.745 16.303 1.00 0.00 C ATOM 0 H ILE A 42 -5.517 -4.085 11.709 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.594 -2.857 13.409 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.458 -5.321 13.623 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.285 -3.937 16.057 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.968 -3.820 15.583 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.428 -6.368 14.545 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.122 -5.620 12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.582 -4.806 14.446 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.665 -5.506 17.331 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.219 -6.266 15.820 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.510 -6.385 16.301 1.00 0.00 H new ATOM 618 N MET A 43 -5.891 -1.860 15.093 1.00 0.00 N ATOM 619 CA MET A 43 -4.956 -0.989 15.797 1.00 0.00 C ATOM 620 C MET A 43 -3.682 -1.741 16.169 1.00 0.00 C ATOM 621 O MET A 43 -3.586 -2.953 15.975 1.00 0.00 O ATOM 622 CB MET A 43 -5.610 -0.418 17.057 1.00 0.00 C ATOM 623 CG MET A 43 -6.202 -1.481 17.969 1.00 0.00 C ATOM 624 SD MET A 43 -7.745 -0.954 18.739 1.00 0.00 S ATOM 625 CE MET A 43 -8.923 -2.000 17.886 1.00 0.00 C ATOM 0 H MET A 43 -6.803 -1.949 15.541 1.00 0.00 H new ATOM 0 HA MET A 43 -4.690 -0.170 15.129 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.868 0.155 17.614 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.397 0.278 16.765 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.379 -2.390 17.394 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.480 -1.731 18.746 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.928 -1.791 18.254 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.879 -1.799 16.816 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.680 -3.047 18.069 1.00 0.00 H new ATOM 635 N GLY A 44 -2.707 -1.015 16.704 1.00 0.00 N ATOM 636 CA GLY A 44 -1.452 -1.630 17.094 1.00 0.00 C ATOM 637 C GLY A 44 -0.247 -0.825 16.649 1.00 0.00 C ATOM 638 O GLY A 44 -0.260 -0.216 15.579 1.00 0.00 O ATOM 0 H GLY A 44 -2.763 -0.011 16.875 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.428 -1.744 18.178 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.394 -2.631 16.667 1.00 0.00 H new ATOM 642 N GLY A 45 0.797 -0.821 17.471 1.00 0.00 N ATOM 643 CA GLY A 45 2.000 -0.082 17.138 1.00 0.00 C ATOM 644 C GLY A 45 2.676 -0.606 15.886 1.00 0.00 C ATOM 645 O GLY A 45 2.076 -1.357 15.117 1.00 0.00 O ATOM 0 H GLY A 45 0.831 -1.316 18.362 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.750 0.970 16.999 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.698 -0.135 17.973 1.00 0.00 H new ATOM 649 N ILE A 46 3.927 -0.209 15.681 1.00 0.00 N ATOM 650 CA ILE A 46 4.685 -0.643 14.514 1.00 0.00 C ATOM 651 C ILE A 46 5.198 -2.069 14.691 1.00 0.00 C ATOM 652 O ILE A 46 6.399 -2.295 14.842 1.00 0.00 O ATOM 653 CB ILE A 46 5.878 0.293 14.239 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.422 1.753 14.248 1.00 0.00 C ATOM 655 CG2 ILE A 46 6.530 -0.057 12.909 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.447 2.089 13.141 1.00 0.00 C ATOM 0 H ILE A 46 4.437 0.413 16.308 1.00 0.00 H new ATOM 0 HA ILE A 46 4.005 -0.609 13.663 1.00 0.00 H new ATOM 0 HB ILE A 46 6.616 0.159 15.030 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.958 1.974 15.209 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.296 2.399 14.160 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.371 0.613 12.729 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.886 -1.087 12.938 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.801 0.052 12.106 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.167 3.140 13.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.914 1.900 12.175 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.556 1.469 13.240 1.00 0.00 H new ATOM 668 N TYR A 47 4.279 -3.029 14.672 1.00 0.00 N ATOM 669 CA TYR A 47 4.637 -4.434 14.831 1.00 0.00 C ATOM 670 C TYR A 47 3.405 -5.326 14.709 1.00 0.00 C ATOM 671 O TYR A 47 3.460 -6.398 14.107 1.00 0.00 O ATOM 672 CB TYR A 47 5.313 -4.660 16.184 1.00 0.00 C ATOM 673 CG TYR A 47 5.757 -6.088 16.408 1.00 0.00 C ATOM 674 CD1 TYR A 47 6.914 -6.577 15.814 1.00 0.00 C ATOM 675 CD2 TYR A 47 5.020 -6.947 17.214 1.00 0.00 C ATOM 676 CE1 TYR A 47 7.323 -7.882 16.016 1.00 0.00 C ATOM 677 CE2 TYR A 47 5.423 -8.253 17.421 1.00 0.00 C ATOM 678 CZ TYR A 47 6.575 -8.715 16.820 1.00 0.00 C ATOM 679 OH TYR A 47 6.979 -10.014 17.024 1.00 0.00 O ATOM 0 H TYR A 47 3.281 -2.860 14.548 1.00 0.00 H new ATOM 0 HA TYR A 47 5.335 -4.698 14.036 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.179 -4.003 16.262 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.623 -4.374 16.978 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.503 -5.927 15.184 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.117 -6.588 17.687 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.224 -8.247 15.546 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.839 -8.908 18.050 1.00 0.00 H new ATOM 0 HH TYR A 47 6.342 -10.466 17.616 1.00 0.00 H new ATOM 689 N ASP A 48 2.296 -4.876 15.286 1.00 0.00 N ATOM 690 CA ASP A 48 1.050 -5.633 15.242 1.00 0.00 C ATOM 691 C ASP A 48 0.411 -5.551 13.860 1.00 0.00 C ATOM 692 O ASP A 48 -0.092 -4.501 13.460 1.00 0.00 O ATOM 693 CB ASP A 48 0.075 -5.113 16.299 1.00 0.00 C ATOM 694 CG ASP A 48 0.725 -4.956 17.660 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.044 -5.988 18.288 1.00 0.00 O ATOM 696 OD2 ASP A 48 0.917 -3.802 18.097 1.00 0.00 O1- ATOM 0 H ASP A 48 2.234 -3.991 15.790 1.00 0.00 H new ATOM 0 HA ASP A 48 1.282 -6.677 15.454 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.325 -4.151 15.978 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.769 -5.799 16.379 1.00 0.00 H new ATOM 701 N ALA A 49 0.433 -6.665 13.136 1.00 0.00 N ATOM 702 CA ALA A 49 -0.146 -6.719 11.799 1.00 0.00 C ATOM 703 C ALA A 49 -0.089 -8.135 11.232 1.00 0.00 C ATOM 704 O ALA A 49 0.572 -8.385 10.223 1.00 0.00 O ATOM 705 CB ALA A 49 0.573 -5.747 10.875 1.00 0.00 C ATOM 0 H ALA A 49 0.846 -7.542 13.453 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.194 -6.428 11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.131 -5.797 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.475 -4.734 11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.628 -6.013 10.817 1.00 0.00 H new ATOM 711 N PRO A 50 -0.786 -9.087 11.876 1.00 0.00 N ATOM 712 CA PRO A 50 -0.813 -10.484 11.430 1.00 0.00 C ATOM 713 C PRO A 50 -1.185 -10.614 9.957 1.00 0.00 C ATOM 714 O PRO A 50 -0.815 -11.585 9.297 1.00 0.00 O ATOM 715 CB PRO A 50 -1.890 -11.119 12.312 1.00 0.00 C ATOM 716 CG PRO A 50 -1.923 -10.274 13.538 1.00 0.00 C ATOM 717 CD PRO A 50 -1.603 -8.876 13.087 1.00 0.00 C ATOM 0 HA PRO A 50 0.164 -10.959 11.520 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.858 -11.127 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.646 -12.154 12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.903 -10.316 14.014 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.197 -10.623 14.272 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.507 -8.307 12.868 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.055 -8.323 13.850 1.00 0.00 H new ATOM 725 N LEU A 51 -1.919 -9.630 9.448 1.00 0.00 N ATOM 726 CA LEU A 51 -2.342 -9.634 8.053 1.00 0.00 C ATOM 727 C LEU A 51 -3.188 -10.867 7.744 1.00 0.00 C ATOM 728 O LEU A 51 -2.804 -11.712 6.936 1.00 0.00 O ATOM 729 CB LEU A 51 -1.122 -9.587 7.129 1.00 0.00 C ATOM 730 CG LEU A 51 -1.299 -8.741 5.867 1.00 0.00 C ATOM 731 CD1 LEU A 51 0.051 -8.434 5.235 1.00 0.00 C ATOM 732 CD2 LEU A 51 -2.206 -9.451 4.873 1.00 0.00 C ATOM 0 H LEU A 51 -2.233 -8.819 9.981 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.952 -8.748 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.273 -9.199 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.870 -10.605 6.833 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.768 -7.798 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.096 -7.831 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.669 -7.884 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.548 -9.367 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.321 -8.835 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.765 -10.409 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.183 -9.618 5.327 1.00 0.00 H new ATOM 744 N ASN A 52 -4.343 -10.961 8.395 1.00 0.00 N ATOM 745 CA ASN A 52 -5.245 -12.089 8.192 1.00 0.00 C ATOM 746 C ASN A 52 -5.665 -12.197 6.729 1.00 0.00 C ATOM 747 O ASN A 52 -5.946 -13.288 6.232 1.00 0.00 O ATOM 748 CB ASN A 52 -6.483 -11.945 9.080 1.00 0.00 C ATOM 749 CG ASN A 52 -6.156 -12.081 10.554 1.00 0.00 C ATOM 750 OD1 ASN A 52 -6.012 -13.190 11.070 1.00 0.00 O ATOM 751 ND2 ASN A 52 -6.037 -10.951 11.240 1.00 0.00 N ATOM 0 H ASN A 52 -4.676 -10.270 9.067 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.712 -13.000 8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.944 -10.974 8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.216 -12.702 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.818 -10.980 12.236 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.165 -10.054 10.771 1.00 0.00 H new ATOM 758 N ASN A 53 -5.705 -11.058 6.044 1.00 0.00 N ATOM 759 CA ASN A 53 -6.091 -11.026 4.638 1.00 0.00 C ATOM 760 C ASN A 53 -4.898 -11.341 3.739 1.00 0.00 C ATOM 761 O ASN A 53 -4.525 -10.542 2.879 1.00 0.00 O ATOM 762 CB ASN A 53 -6.672 -9.656 4.279 1.00 0.00 C ATOM 763 CG ASN A 53 -5.666 -8.536 4.458 1.00 0.00 C ATOM 764 OD1 ASN A 53 -5.587 -8.000 5.671 1.00 0.00 O flip ATOM 765 ND2 ASN A 53 -4.967 -8.157 3.518 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.475 -10.146 6.440 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.853 -11.788 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.016 -9.670 3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.545 -9.460 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.061 -8.597 2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.294 -7.403 3.655 1.00 0.00 H new ATOM 772 N GLU A 54 -4.304 -12.513 3.942 1.00 0.00 N ATOM 773 CA GLU A 54 -3.155 -12.936 3.151 1.00 0.00 C ATOM 774 C GLU A 54 -3.573 -13.894 2.037 1.00 0.00 C ATOM 775 O GLU A 54 -2.739 -14.600 1.470 1.00 0.00 O ATOM 776 CB GLU A 54 -2.110 -13.604 4.048 1.00 0.00 C ATOM 777 CG GLU A 54 -1.019 -12.656 4.521 1.00 0.00 C ATOM 778 CD GLU A 54 0.371 -13.241 4.364 1.00 0.00 C ATOM 779 OE1 GLU A 54 0.583 -14.393 4.798 1.00 0.00 O ATOM 780 OE2 GLU A 54 1.247 -12.548 3.806 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.600 -13.187 4.648 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.720 -12.048 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.610 -14.032 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.652 -14.430 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.083 -11.725 3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.188 -12.407 5.569 1.00 0.00 H new ATOM 787 N ASN A 55 -4.867 -13.916 1.727 1.00 0.00 N ATOM 788 CA ASN A 55 -5.387 -14.791 0.681 1.00 0.00 C ATOM 789 C ASN A 55 -4.711 -14.504 -0.656 1.00 0.00 C ATOM 790 O ASN A 55 -4.548 -15.399 -1.485 1.00 0.00 O ATOM 791 CB ASN A 55 -6.901 -14.617 0.548 1.00 0.00 C ATOM 792 CG ASN A 55 -7.506 -15.574 -0.460 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.295 -16.785 -0.389 1.00 0.00 O ATOM 794 ND2 ASN A 55 -8.265 -15.034 -1.407 1.00 0.00 N ATOM 0 H ASN A 55 -5.573 -13.339 2.184 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.170 -15.821 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.369 -14.774 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.121 -13.592 0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.700 -15.628 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.413 -14.025 -1.428 1.00 0.00 H new ATOM 801 N GLY A 56 -4.318 -13.250 -0.858 1.00 0.00 N ATOM 802 CA GLY A 56 -3.662 -12.869 -2.095 1.00 0.00 C ATOM 803 C GLY A 56 -4.343 -11.699 -2.778 1.00 0.00 C ATOM 804 O GLY A 56 -3.685 -10.746 -3.194 1.00 0.00 O ATOM 0 H GLY A 56 -4.442 -12.492 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.624 -12.610 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.648 -13.723 -2.773 1.00 0.00 H new ATOM 808 N PHE A 57 -5.665 -11.771 -2.894 1.00 0.00 N ATOM 809 CA PHE A 57 -6.435 -10.709 -3.532 1.00 0.00 C ATOM 810 C PHE A 57 -6.366 -9.422 -2.717 1.00 0.00 C ATOM 811 O PHE A 57 -6.250 -8.329 -3.272 1.00 0.00 O ATOM 812 CB PHE A 57 -7.892 -11.141 -3.704 1.00 0.00 C ATOM 813 CG PHE A 57 -8.072 -12.275 -4.672 1.00 0.00 C ATOM 814 CD1 PHE A 57 -7.847 -13.584 -4.275 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.466 -12.033 -5.978 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.012 -14.630 -5.163 1.00 0.00 C ATOM 817 CE2 PHE A 57 -8.633 -13.075 -6.871 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.405 -14.375 -6.463 1.00 0.00 C ATOM 0 H PHE A 57 -6.225 -12.553 -2.555 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.001 -10.519 -4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.292 -11.435 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.478 -10.287 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.539 -13.789 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.645 -11.018 -6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.834 -15.645 -4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.941 -12.873 -7.886 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.534 -15.191 -7.159 1.00 0.00 H new ATOM 828 N ASP A 58 -6.439 -9.559 -1.397 1.00 0.00 N ATOM 829 CA ASP A 58 -6.386 -8.407 -0.505 1.00 0.00 C ATOM 830 C ASP A 58 -4.991 -7.790 -0.493 1.00 0.00 C ATOM 831 O ASP A 58 -4.835 -6.582 -0.675 1.00 0.00 O ATOM 832 CB ASP A 58 -6.786 -8.816 0.914 1.00 0.00 C ATOM 833 CG ASP A 58 -8.268 -9.115 1.033 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.838 -9.682 0.077 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -8.859 -8.781 2.082 1.00 0.00 O ATOM 0 H ASP A 58 -6.535 -10.456 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.090 -7.661 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.216 -9.696 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.522 -8.017 1.607 1.00 0.00 H new ATOM 840 N LYS A 59 -3.980 -8.625 -0.279 1.00 0.00 N ATOM 841 CA LYS A 59 -2.599 -8.159 -0.244 1.00 0.00 C ATOM 842 C LYS A 59 -2.212 -7.503 -1.566 1.00 0.00 C ATOM 843 O LYS A 59 -1.552 -6.463 -1.586 1.00 0.00 O ATOM 844 CB LYS A 59 -1.652 -9.324 0.066 1.00 0.00 C ATOM 845 CG LYS A 59 -1.454 -10.281 -1.099 1.00 0.00 C ATOM 846 CD LYS A 59 -0.478 -11.392 -0.747 1.00 0.00 C ATOM 847 CE LYS A 59 0.941 -11.039 -1.163 1.00 0.00 C ATOM 848 NZ LYS A 59 1.954 -11.819 -0.400 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.091 -9.628 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.512 -7.413 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.683 -8.923 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.042 -9.880 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.413 -10.714 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.084 -9.731 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.508 -11.578 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.783 -12.316 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.064 -11.229 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.111 -9.974 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.907 -11.478 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.789 -11.699 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.875 -12.826 -0.647 1.00 0.00 H new ATOM 862 N GLU A 60 -2.627 -8.118 -2.669 1.00 0.00 N ATOM 863 CA GLU A 60 -2.324 -7.595 -3.996 1.00 0.00 C ATOM 864 C GLU A 60 -3.039 -6.270 -4.235 1.00 0.00 C ATOM 865 O GLU A 60 -2.437 -5.305 -4.707 1.00 0.00 O ATOM 866 CB GLU A 60 -2.728 -8.607 -5.070 1.00 0.00 C ATOM 867 CG GLU A 60 -1.717 -9.726 -5.262 1.00 0.00 C ATOM 868 CD GLU A 60 -1.489 -10.061 -6.723 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.354 -9.714 -7.554 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -0.446 -10.673 -7.037 1.00 0.00 O ATOM 0 H GLU A 60 -3.174 -8.979 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.249 -7.423 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.692 -9.041 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.864 -8.085 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.770 -9.437 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.063 -10.617 -4.738 1.00 0.00 H new ATOM 877 N ASP A 61 -4.326 -6.228 -3.906 1.00 0.00 N ATOM 878 CA ASP A 61 -5.122 -5.019 -4.084 1.00 0.00 C ATOM 879 C ASP A 61 -4.507 -3.847 -3.326 1.00 0.00 C ATOM 880 O ASP A 61 -4.393 -2.742 -3.855 1.00 0.00 O ATOM 881 CB ASP A 61 -6.557 -5.252 -3.609 1.00 0.00 C ATOM 882 CG ASP A 61 -7.337 -6.154 -4.546 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.980 -6.219 -5.741 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.305 -6.794 -4.085 1.00 0.00 O ATOM 0 H ASP A 61 -4.840 -7.017 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.134 -4.776 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.540 -5.695 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.068 -4.293 -3.523 1.00 0.00 H new ATOM 889 N LEU A 62 -4.110 -4.099 -2.083 1.00 0.00 N ATOM 890 CA LEU A 62 -3.503 -3.068 -1.250 1.00 0.00 C ATOM 891 C LEU A 62 -2.175 -2.604 -1.841 1.00 0.00 C ATOM 892 O LEU A 62 -1.959 -1.410 -2.046 1.00 0.00 O ATOM 893 CB LEU A 62 -3.291 -3.595 0.172 1.00 0.00 C ATOM 894 CG LEU A 62 -2.503 -2.673 1.108 1.00 0.00 C ATOM 895 CD1 LEU A 62 -2.949 -1.226 0.951 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.666 -3.126 2.549 1.00 0.00 C ATOM 0 H LEU A 62 -4.198 -5.009 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.180 -2.214 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.267 -3.788 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.773 -4.552 0.112 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.449 -2.731 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.374 -0.593 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.784 -0.904 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.009 -1.144 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.101 -2.463 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.721 -3.096 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.293 -4.145 2.655 1.00 0.00 H new ATOM 908 N ALA A 63 -1.290 -3.557 -2.116 1.00 0.00 N ATOM 909 CA ALA A 63 0.016 -3.246 -2.686 1.00 0.00 C ATOM 910 C ALA A 63 -0.124 -2.448 -3.979 1.00 0.00 C ATOM 911 O ALA A 63 0.452 -1.369 -4.120 1.00 0.00 O ATOM 912 CB ALA A 63 0.801 -4.525 -2.936 1.00 0.00 C ATOM 0 H ALA A 63 -1.453 -4.551 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 63 0.561 -2.632 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.774 -4.278 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.941 -5.056 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.251 -5.159 -3.632 1.00 0.00 H new ATOM 918 N ARG A 64 -0.895 -2.985 -4.919 1.00 0.00 N ATOM 919 CA ARG A 64 -1.113 -2.321 -6.199 1.00 0.00 C ATOM 920 C ARG A 64 -1.790 -0.969 -6.000 1.00 0.00 C ATOM 921 O ARG A 64 -1.514 -0.013 -6.724 1.00 0.00 O ATOM 922 CB ARG A 64 -1.966 -3.202 -7.114 1.00 0.00 C ATOM 923 CG ARG A 64 -1.788 -2.893 -8.592 1.00 0.00 C ATOM 924 CD ARG A 64 -2.244 -1.482 -8.925 1.00 0.00 C ATOM 925 NE ARG A 64 -2.805 -1.392 -10.272 1.00 0.00 N ATOM 926 CZ ARG A 64 -2.069 -1.362 -11.381 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.745 -1.415 -11.308 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.659 -1.279 -12.565 1.00 0.00 N ATOM 0 H ARG A 64 -1.379 -3.877 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.142 -2.156 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.714 -4.247 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.016 -3.078 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.740 -3.012 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.356 -3.610 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.991 -1.161 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.400 -0.798 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.820 -1.350 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.287 -1.479 -10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.186 -1.392 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.676 -1.238 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.096 -1.256 -13.415 1.00 0.00 H new ATOM 942 N PHE A 65 -2.676 -0.897 -5.012 1.00 0.00 N ATOM 943 CA PHE A 65 -3.392 0.338 -4.715 1.00 0.00 C ATOM 944 C PHE A 65 -2.417 1.455 -4.351 1.00 0.00 C ATOM 945 O PHE A 65 -2.388 2.501 -4.999 1.00 0.00 O ATOM 946 CB PHE A 65 -4.385 0.114 -3.572 1.00 0.00 C ATOM 947 CG PHE A 65 -5.131 1.353 -3.168 1.00 0.00 C ATOM 948 CD1 PHE A 65 -5.970 1.997 -4.064 1.00 0.00 C ATOM 949 CD2 PHE A 65 -4.993 1.874 -1.891 1.00 0.00 C ATOM 950 CE1 PHE A 65 -6.657 3.137 -3.694 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.678 3.014 -1.515 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.511 3.647 -2.418 1.00 0.00 C ATOM 0 H PHE A 65 -2.915 -1.680 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.941 0.637 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.103 -0.650 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.848 -0.274 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.088 1.603 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.343 1.384 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.308 3.629 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.562 3.410 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.047 4.538 -2.127 1.00 0.00 H new ATOM 962 N ALA A 66 -1.621 1.225 -3.312 1.00 0.00 N ATOM 963 CA ALA A 66 -0.644 2.212 -2.866 1.00 0.00 C ATOM 964 C ALA A 66 0.343 2.545 -3.979 1.00 0.00 C ATOM 965 O ALA A 66 0.529 3.712 -4.331 1.00 0.00 O ATOM 966 CB ALA A 66 0.095 1.705 -1.636 1.00 0.00 C ATOM 0 H ALA A 66 -1.633 0.365 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.178 3.125 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.821 2.452 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.618 1.523 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.613 0.777 -1.879 1.00 0.00 H new ATOM 972 N VAL A 67 0.971 1.512 -4.534 1.00 0.00 N ATOM 973 CA VAL A 67 1.937 1.694 -5.611 1.00 0.00 C ATOM 974 C VAL A 67 1.352 2.546 -6.733 1.00 0.00 C ATOM 975 O VAL A 67 1.954 3.532 -7.158 1.00 0.00 O ATOM 976 CB VAL A 67 2.392 0.340 -6.190 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.463 0.543 -7.252 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.896 -0.574 -5.082 1.00 0.00 C ATOM 0 H VAL A 67 0.828 0.541 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 67 2.799 2.205 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 67 1.533 -0.138 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.771 -0.425 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.063 1.155 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.324 1.044 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.213 -1.525 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.741 -0.104 -4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.096 -0.749 -4.362 1.00 0.00 H new ATOM 988 N ARG A 68 0.171 2.161 -7.203 1.00 0.00 N ATOM 989 CA ARG A 68 -0.503 2.891 -8.270 1.00 0.00 C ATOM 990 C ARG A 68 -0.932 4.274 -7.790 1.00 0.00 C ATOM 991 O ARG A 68 -1.034 5.212 -8.580 1.00 0.00 O ATOM 992 CB ARG A 68 -1.719 2.103 -8.761 1.00 0.00 C ATOM 993 CG ARG A 68 -2.546 2.836 -9.806 1.00 0.00 C ATOM 994 CD ARG A 68 -3.540 1.907 -10.486 1.00 0.00 C ATOM 995 NE ARG A 68 -4.923 2.249 -10.158 1.00 0.00 N ATOM 996 CZ ARG A 68 -5.546 1.849 -9.051 1.00 0.00 C ATOM 997 NH1 ARG A 68 -4.917 1.090 -8.162 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -6.803 2.208 -8.833 1.00 0.00 N ATOM 0 H ARG A 68 -0.340 1.347 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 68 0.196 3.015 -9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.381 1.155 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.355 1.867 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.081 3.660 -9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.884 3.272 -10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.401 1.956 -11.566 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.340 0.879 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.442 2.829 -10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.950 0.809 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.401 0.788 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.292 2.790 -9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.281 1.902 -7.985 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.181 4.393 -6.489 1.00 0.00 N ATOM 1013 CA GLU A 69 -1.599 5.661 -5.902 1.00 0.00 C ATOM 1014 C GLU A 69 -0.486 6.698 -6.005 1.00 0.00 C ATOM 1015 O GLU A 69 -0.735 7.863 -6.315 1.00 0.00 O ATOM 1016 CB GLU A 69 -1.994 5.464 -4.437 1.00 0.00 C ATOM 1017 CG GLU A 69 -2.643 6.688 -3.812 1.00 0.00 C ATOM 1018 CD GLU A 69 -3.836 7.184 -4.607 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -3.625 7.889 -5.616 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -4.980 6.868 -4.219 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.100 3.626 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.464 6.024 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.682 4.622 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.106 5.200 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.961 6.448 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.905 7.486 -3.734 1.00 0.00 H new ATOM 1027 N TYR A 70 0.743 6.267 -5.744 1.00 0.00 N ATOM 1028 CA TYR A 70 1.895 7.159 -5.810 1.00 0.00 C ATOM 1029 C TYR A 70 2.504 7.170 -7.213 1.00 0.00 C ATOM 1030 O TYR A 70 3.246 8.084 -7.570 1.00 0.00 O ATOM 1031 CB TYR A 70 2.944 6.742 -4.771 1.00 0.00 C ATOM 1032 CG TYR A 70 4.001 5.792 -5.296 1.00 0.00 C ATOM 1033 CD1 TYR A 70 5.097 6.266 -6.007 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.901 4.424 -5.082 1.00 0.00 C ATOM 1035 CE1 TYR A 70 6.062 5.403 -6.489 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.862 3.554 -5.560 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.940 4.049 -6.263 1.00 0.00 C ATOM 1038 OH TYR A 70 6.900 3.186 -6.741 1.00 0.00 O ATOM 0 H TYR A 70 0.967 5.306 -5.485 1.00 0.00 H new ATOM 0 HA TYR A 70 1.558 8.171 -5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.435 7.637 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.437 6.272 -3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.196 7.327 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.057 4.033 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.908 5.787 -7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.769 2.492 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 70 7.169 2.569 -6.029 1.00 0.00 H new ATOM 1048 N ASN A 71 2.193 6.142 -7.997 1.00 0.00 N ATOM 1049 CA ASN A 71 2.718 6.029 -9.354 1.00 0.00 C ATOM 1050 C ASN A 71 1.864 6.809 -10.352 1.00 0.00 C ATOM 1051 O ASN A 71 2.358 7.245 -11.391 1.00 0.00 O ATOM 1052 CB ASN A 71 2.790 4.559 -9.770 1.00 0.00 C ATOM 1053 CG ASN A 71 4.047 3.879 -9.264 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.982 2.942 -8.469 1.00 0.00 O ATOM 1055 ND2 ASN A 71 5.201 4.350 -9.722 1.00 0.00 N ATOM 0 H ASN A 71 1.581 5.376 -7.716 1.00 0.00 H new ATOM 0 HA ASN A 71 3.720 6.458 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.916 4.032 -9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.754 4.489 -10.857 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.080 3.933 -9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.209 5.129 -10.380 1.00 0.00 H new ATOM 1062 N ASN A 72 0.583 6.976 -10.038 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.327 7.698 -10.921 1.00 0.00 C ATOM 1064 C ASN A 72 -0.186 9.209 -10.746 1.00 0.00 C ATOM 1065 O ASN A 72 -0.301 9.968 -11.708 1.00 0.00 O ATOM 1066 CB ASN A 72 -1.776 7.262 -10.666 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.427 8.006 -9.513 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.033 9.060 -9.704 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -2.305 7.459 -8.310 1.00 0.00 N ATOM 0 H ASN A 72 0.153 6.623 -9.183 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.062 7.454 -11.950 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.362 7.422 -11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.796 6.192 -10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.723 7.914 -7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.794 6.584 -8.197 1.00 0.00 H new ATOM 1076 N LYS A 73 0.055 9.639 -9.511 1.00 0.00 N ATOM 1077 CA LYS A 73 0.203 11.061 -9.210 1.00 0.00 C ATOM 1078 C LYS A 73 1.219 11.723 -10.137 1.00 0.00 C ATOM 1079 O LYS A 73 0.992 12.827 -10.631 1.00 0.00 O ATOM 1080 CB LYS A 73 0.618 11.263 -7.750 1.00 0.00 C ATOM 1081 CG LYS A 73 1.634 10.248 -7.254 1.00 0.00 C ATOM 1082 CD LYS A 73 2.212 10.652 -5.908 1.00 0.00 C ATOM 1083 CE LYS A 73 3.692 10.316 -5.815 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.428 11.285 -4.955 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.152 9.025 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.766 11.534 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.033 12.264 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.270 11.212 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.161 9.270 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.439 10.151 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.070 11.722 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.671 10.142 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.811 9.310 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.127 10.314 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.433 11.022 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.336 12.242 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.029 11.269 -3.995 1.00 0.00 H new ATOM 1098 N ASN A 74 2.339 11.044 -10.371 1.00 0.00 N ATOM 1099 CA ASN A 74 3.384 11.575 -11.241 1.00 0.00 C ATOM 1100 C ASN A 74 4.524 10.574 -11.410 1.00 0.00 C ATOM 1101 O ASN A 74 5.091 10.441 -12.495 1.00 0.00 O ATOM 1102 CB ASN A 74 3.921 12.899 -10.683 1.00 0.00 C ATOM 1103 CG ASN A 74 4.850 12.705 -9.498 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.329 12.121 -8.425 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 6.023 13.075 -9.547 1.00 0.00 N flip ATOM 0 H ASN A 74 2.546 10.128 -9.972 1.00 0.00 H new ATOM 0 HA ASN A 74 2.944 11.756 -12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.452 13.431 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.083 13.528 -10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.383 13.520 -10.392 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.635 12.937 -8.743 1.00 0.00 H new ATOM 1112 N ASN A 75 4.860 9.877 -10.329 1.00 0.00 N ATOM 1113 CA ASN A 75 5.938 8.892 -10.351 1.00 0.00 C ATOM 1114 C ASN A 75 5.804 7.950 -11.547 1.00 0.00 C ATOM 1115 O ASN A 75 4.803 7.978 -12.262 1.00 0.00 O ATOM 1116 CB ASN A 75 5.947 8.087 -9.050 1.00 0.00 C ATOM 1117 CG ASN A 75 7.333 7.985 -8.443 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.761 8.864 -7.695 1.00 0.00 O ATOM 1119 ND2 ASN A 75 8.042 6.909 -8.764 1.00 0.00 N ATOM 0 H ASN A 75 4.400 9.976 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 75 6.881 9.430 -10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.272 8.554 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.563 7.085 -9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.982 6.786 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.647 6.205 -9.388 1.00 0.00 H new ATOM 1126 N ALA A 76 6.822 7.120 -11.756 1.00 0.00 N ATOM 1127 CA ALA A 76 6.822 6.171 -12.864 1.00 0.00 C ATOM 1128 C ALA A 76 5.601 5.258 -12.809 1.00 0.00 C ATOM 1129 O ALA A 76 4.678 5.486 -12.028 1.00 0.00 O ATOM 1130 CB ALA A 76 8.100 5.347 -12.851 1.00 0.00 C ATOM 0 H ALA A 76 7.658 7.086 -11.172 1.00 0.00 H new ATOM 0 HA ALA A 76 6.776 6.738 -13.794 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.087 4.643 -13.683 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.961 6.009 -12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.169 4.798 -11.912 1.00 0.00 H new ATOM 1136 N LEU A 77 5.604 4.225 -13.645 1.00 0.00 N ATOM 1137 CA LEU A 77 4.496 3.278 -13.693 1.00 0.00 C ATOM 1138 C LEU A 77 4.987 1.849 -13.480 1.00 0.00 C ATOM 1139 O LEU A 77 4.574 0.927 -14.184 1.00 0.00 O ATOM 1140 CB LEU A 77 3.764 3.385 -15.032 1.00 0.00 C ATOM 1141 CG LEU A 77 2.245 3.227 -14.952 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.880 1.932 -14.243 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.625 4.420 -14.240 1.00 0.00 C ATOM 0 H LEU A 77 6.361 4.022 -14.298 1.00 0.00 H new ATOM 0 HA LEU A 77 3.805 3.527 -12.888 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.991 4.354 -15.477 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.158 2.625 -15.706 1.00 0.00 H new ATOM 0 HG LEU A 77 1.847 3.186 -15.966 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.795 1.837 -14.195 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.295 1.087 -14.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.288 1.943 -13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.544 4.293 -14.191 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.028 4.491 -13.230 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.858 5.333 -14.788 1.00 0.00 H new ATOM 1155 N LEU A 78 5.869 1.672 -12.502 1.00 0.00 N ATOM 1156 CA LEU A 78 6.415 0.353 -12.194 1.00 0.00 C ATOM 1157 C LEU A 78 5.298 -0.623 -11.833 1.00 0.00 C ATOM 1158 O LEU A 78 4.120 -0.267 -11.863 1.00 0.00 O ATOM 1159 CB LEU A 78 7.425 0.445 -11.046 1.00 0.00 C ATOM 1160 CG LEU A 78 7.027 1.373 -9.895 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.674 0.971 -9.329 1.00 0.00 C ATOM 1162 CD2 LEU A 78 8.092 1.360 -8.806 1.00 0.00 C ATOM 0 H LEU A 78 6.221 2.424 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 78 6.926 -0.018 -13.082 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.586 -0.556 -10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.379 0.783 -11.450 1.00 0.00 H new ATOM 0 HG LEU A 78 6.947 2.389 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.408 1.642 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.918 1.035 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.725 -0.052 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.792 2.025 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.206 0.347 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.041 1.699 -9.221 1.00 0.00 H new ATOM 1174 N GLU A 79 5.671 -1.854 -11.498 1.00 0.00 N ATOM 1175 CA GLU A 79 4.690 -2.873 -11.139 1.00 0.00 C ATOM 1176 C GLU A 79 5.153 -3.689 -9.936 1.00 0.00 C ATOM 1177 O GLU A 79 6.301 -4.128 -9.875 1.00 0.00 O ATOM 1178 CB GLU A 79 4.432 -3.801 -12.328 1.00 0.00 C ATOM 1179 CG GLU A 79 5.700 -4.261 -13.027 1.00 0.00 C ATOM 1180 CD GLU A 79 5.958 -3.512 -14.320 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.976 -3.098 -14.972 1.00 0.00 O ATOM 1182 OE2 GLU A 79 7.141 -3.339 -14.680 1.00 0.00 O1- ATOM 0 H GLU A 79 6.640 -2.170 -11.467 1.00 0.00 H new ATOM 0 HA GLU A 79 3.764 -2.365 -10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.880 -4.675 -11.983 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.796 -3.286 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.549 -4.125 -12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.628 -5.328 -13.238 1.00 0.00 H new ATOM 1189 N PHE A 80 4.247 -3.893 -8.984 1.00 0.00 N ATOM 1190 CA PHE A 80 4.556 -4.661 -7.783 1.00 0.00 C ATOM 1191 C PHE A 80 4.448 -6.160 -8.058 1.00 0.00 C ATOM 1192 O PHE A 80 3.654 -6.591 -8.894 1.00 0.00 O ATOM 1193 CB PHE A 80 3.622 -4.250 -6.635 1.00 0.00 C ATOM 1194 CG PHE A 80 2.462 -5.183 -6.416 1.00 0.00 C ATOM 1195 CD1 PHE A 80 1.340 -5.119 -7.226 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.500 -6.127 -5.403 1.00 0.00 C ATOM 1197 CE1 PHE A 80 0.277 -5.980 -7.030 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.440 -6.990 -5.201 1.00 0.00 C ATOM 1199 CZ PHE A 80 0.327 -6.917 -6.016 1.00 0.00 C ATOM 0 H PHE A 80 3.292 -3.537 -9.022 1.00 0.00 H new ATOM 0 HA PHE A 80 5.583 -4.445 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.202 -4.188 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.236 -3.251 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.296 -4.388 -8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.368 -6.189 -4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.592 -5.920 -7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.482 -7.721 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.502 -7.591 -5.861 1.00 0.00 H new ATOM 1209 N VAL A 81 5.250 -6.948 -7.350 1.00 0.00 N ATOM 1210 CA VAL A 81 5.240 -8.395 -7.521 1.00 0.00 C ATOM 1211 C VAL A 81 4.524 -9.081 -6.363 1.00 0.00 C ATOM 1212 O VAL A 81 3.818 -10.071 -6.557 1.00 0.00 O ATOM 1213 CB VAL A 81 6.669 -8.960 -7.636 1.00 0.00 C ATOM 1214 CG1 VAL A 81 7.288 -8.578 -8.971 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.531 -8.473 -6.481 1.00 0.00 C ATOM 0 H VAL A 81 5.914 -6.609 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 81 4.703 -8.599 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 81 6.615 -10.047 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.297 -8.986 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.682 -8.982 -9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.330 -7.492 -9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.536 -8.882 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.579 -7.384 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.096 -8.803 -5.538 1.00 0.00 H new ATOM 1225 N ARG A 82 4.708 -8.546 -5.159 1.00 0.00 N ATOM 1226 CA ARG A 82 4.079 -9.102 -3.963 1.00 0.00 C ATOM 1227 C ARG A 82 4.531 -8.355 -2.714 1.00 0.00 C ATOM 1228 O ARG A 82 5.521 -7.625 -2.741 1.00 0.00 O ATOM 1229 CB ARG A 82 4.410 -10.586 -3.821 1.00 0.00 C ATOM 1230 CG ARG A 82 5.898 -10.856 -3.793 1.00 0.00 C ATOM 1231 CD ARG A 82 6.210 -12.315 -4.085 1.00 0.00 C ATOM 1232 NE ARG A 82 7.642 -12.544 -4.264 1.00 0.00 N ATOM 1233 CZ ARG A 82 8.297 -12.296 -5.396 1.00 0.00 C ATOM 1234 NH1 ARG A 82 7.654 -11.812 -6.452 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 9.599 -12.533 -5.473 1.00 0.00 N ATOM 0 H ARG A 82 5.289 -7.726 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 82 3.000 -8.986 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.959 -10.968 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.962 -11.134 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.397 -10.223 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.298 -10.587 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.843 -12.935 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.678 -12.627 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 82 8.171 -12.916 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.652 -11.628 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.162 -11.624 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.098 -12.905 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.102 -12.343 -6.340 1.00 0.00 H new ATOM 1249 N VAL A 83 3.801 -8.543 -1.619 1.00 0.00 N ATOM 1250 CA VAL A 83 4.131 -7.886 -0.362 1.00 0.00 C ATOM 1251 C VAL A 83 5.094 -8.731 0.467 1.00 0.00 C ATOM 1252 O VAL A 83 4.994 -9.958 0.494 1.00 0.00 O ATOM 1253 CB VAL A 83 2.863 -7.587 0.467 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.795 -6.938 -0.401 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.329 -8.854 1.123 1.00 0.00 C ATOM 0 H VAL A 83 2.978 -9.144 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 83 4.615 -6.943 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 83 3.133 -6.887 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.910 -6.735 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.177 -6.003 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.532 -7.610 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.436 -8.616 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.079 -9.585 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.089 -9.269 1.785 1.00 0.00 H new ATOM 1265 N VAL A 84 6.027 -8.067 1.140 1.00 0.00 N ATOM 1266 CA VAL A 84 7.009 -8.756 1.969 1.00 0.00 C ATOM 1267 C VAL A 84 6.899 -8.342 3.437 1.00 0.00 C ATOM 1268 O VAL A 84 7.447 -9.007 4.316 1.00 0.00 O ATOM 1269 CB VAL A 84 8.444 -8.485 1.474 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.761 -6.996 1.530 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.452 -9.286 2.287 1.00 0.00 C ATOM 0 H VAL A 84 6.124 -7.052 1.128 1.00 0.00 H new ATOM 0 HA VAL A 84 6.794 -9.822 1.887 1.00 0.00 H new ATOM 0 HB VAL A 84 8.515 -8.806 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.778 -6.827 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.061 -6.451 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.671 -6.643 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.459 -9.081 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.381 -9.001 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.239 -10.350 2.185 1.00 0.00 H new ATOM 1281 N LYS A 85 6.194 -7.242 3.701 1.00 0.00 N ATOM 1282 CA LYS A 85 6.031 -6.758 5.069 1.00 0.00 C ATOM 1283 C LYS A 85 4.683 -6.070 5.255 1.00 0.00 C ATOM 1284 O LYS A 85 4.085 -5.580 4.297 1.00 0.00 O ATOM 1285 CB LYS A 85 7.160 -5.790 5.431 1.00 0.00 C ATOM 1286 CG LYS A 85 8.513 -6.192 4.868 1.00 0.00 C ATOM 1287 CD LYS A 85 9.643 -5.412 5.520 1.00 0.00 C ATOM 1288 CE LYS A 85 10.784 -5.166 4.547 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.085 -4.992 5.249 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.731 -6.674 2.991 1.00 0.00 H new ATOM 0 HA LYS A 85 6.071 -7.622 5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.905 -4.795 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.234 -5.721 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.670 -7.259 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.525 -6.021 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.264 -4.458 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.014 -5.961 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.855 -6.003 3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.570 -4.277 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.837 -4.826 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.026 -4.178 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.302 -5.850 5.795 1.00 0.00 H new ATOM 1303 N ALA A 86 4.213 -6.035 6.498 1.00 0.00 N ATOM 1304 CA ALA A 86 2.939 -5.406 6.821 1.00 0.00 C ATOM 1305 C ALA A 86 2.896 -4.979 8.285 1.00 0.00 C ATOM 1306 O ALA A 86 3.213 -5.763 9.179 1.00 0.00 O ATOM 1307 CB ALA A 86 1.789 -6.353 6.511 1.00 0.00 C ATOM 0 H ALA A 86 4.698 -6.437 7.300 1.00 0.00 H new ATOM 0 HA ALA A 86 2.835 -4.513 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.843 -5.870 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.802 -6.606 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.897 -7.262 7.103 1.00 0.00 H new ATOM 1313 N LYS A 87 2.504 -3.731 8.522 1.00 0.00 N ATOM 1314 CA LYS A 87 2.422 -3.200 9.878 1.00 0.00 C ATOM 1315 C LYS A 87 1.183 -2.326 10.047 1.00 0.00 C ATOM 1316 O LYS A 87 0.662 -1.777 9.076 1.00 0.00 O ATOM 1317 CB LYS A 87 3.679 -2.392 10.208 1.00 0.00 C ATOM 1318 CG LYS A 87 4.901 -3.253 10.485 1.00 0.00 C ATOM 1319 CD LYS A 87 5.765 -3.407 9.244 1.00 0.00 C ATOM 1320 CE LYS A 87 6.575 -4.693 9.285 1.00 0.00 C ATOM 1321 NZ LYS A 87 7.633 -4.649 10.332 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.238 -3.069 7.793 1.00 0.00 H new ATOM 0 HA LYS A 87 2.347 -4.041 10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.898 -1.721 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.481 -1.767 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.489 -2.805 11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.584 -4.236 10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.133 -3.402 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.438 -2.554 9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.910 -5.535 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.034 -4.864 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.163 -5.544 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.283 -3.861 10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.193 -4.511 11.264 1.00 0.00 H new ATOM 1335 N GLU A 88 0.716 -2.203 11.286 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.463 -1.397 11.581 1.00 0.00 C ATOM 1337 C GLU A 88 -0.111 -0.227 12.495 1.00 0.00 C ATOM 1338 O GLU A 88 0.888 -0.263 13.212 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.545 -2.259 12.234 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.818 -3.558 11.493 1.00 0.00 C ATOM 1341 CD GLU A 88 -3.057 -3.483 10.623 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -3.044 -2.719 9.634 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -4.042 -4.188 10.930 1.00 0.00 O ATOM 0 H GLU A 88 1.136 -2.651 12.101 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.842 -0.998 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.246 -2.490 13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.469 -1.684 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.957 -3.806 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.934 -4.366 12.215 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.942 0.810 12.462 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.726 1.994 13.285 1.00 0.00 C ATOM 1352 C GLN A 89 -2.024 2.777 13.456 1.00 0.00 C ATOM 1353 O GLN A 89 -2.884 2.769 12.575 1.00 0.00 O ATOM 1354 CB GLN A 89 0.346 2.887 12.659 1.00 0.00 C ATOM 1355 CG GLN A 89 0.637 4.145 13.462 1.00 0.00 C ATOM 1356 CD GLN A 89 2.113 4.492 13.489 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.788 4.302 12.361 1.00 0.00 O flip ATOM 1358 NE2 GLN A 89 2.642 4.927 14.512 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.773 0.854 11.872 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.386 1.669 14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.267 2.314 12.552 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.029 3.172 11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.079 4.980 13.037 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.281 4.010 14.483 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.086 5.058 15.357 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.636 5.156 14.514 1.00 0.00 H new ATOM 1367 N VAL A 90 -2.161 3.450 14.594 1.00 0.00 N ATOM 1368 CA VAL A 90 -3.358 4.234 14.876 1.00 0.00 C ATOM 1369 C VAL A 90 -3.052 5.728 14.889 1.00 0.00 C ATOM 1370 O VAL A 90 -2.256 6.202 15.699 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.984 3.839 16.226 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -5.336 4.511 16.405 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -4.114 2.327 16.332 1.00 0.00 C ATOM 0 H VAL A 90 -1.460 3.468 15.334 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.068 4.020 14.077 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.326 4.181 17.025 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.763 4.220 17.365 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.211 5.593 16.377 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.005 4.202 15.602 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.558 2.066 17.293 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.750 1.959 15.527 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.127 1.871 16.253 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.693 6.463 13.987 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.497 7.905 13.891 1.00 0.00 C ATOM 1385 C VAL A 91 -4.655 8.564 13.150 1.00 0.00 C ATOM 1386 O VAL A 91 -4.716 8.534 11.921 1.00 0.00 O ATOM 1387 CB VAL A 91 -2.180 8.250 13.171 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.990 8.021 14.091 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -2.039 7.436 11.893 1.00 0.00 C ATOM 0 H VAL A 91 -4.355 6.083 13.310 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.452 8.287 14.911 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.203 9.306 12.901 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.069 8.270 13.564 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.085 8.653 14.974 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.962 6.975 14.396 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.102 7.694 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.040 6.374 12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.873 7.657 11.227 1.00 0.00 H new ATOM 1399 N SER A 92 -5.576 9.155 13.905 1.00 0.00 N ATOM 1400 CA SER A 92 -6.736 9.816 13.319 1.00 0.00 C ATOM 1401 C SER A 92 -7.580 8.825 12.523 1.00 0.00 C ATOM 1402 O SER A 92 -8.303 9.207 11.603 1.00 0.00 O ATOM 1403 CB SER A 92 -6.290 10.966 12.414 1.00 0.00 C ATOM 1404 OG SER A 92 -5.605 11.962 13.154 1.00 0.00 O ATOM 0 H SER A 92 -5.541 9.189 14.924 1.00 0.00 H new ATOM 0 HA SER A 92 -7.345 10.216 14.130 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.641 10.583 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.159 11.406 11.924 1.00 0.00 H new ATOM 0 HG SER A 92 -5.329 12.685 12.552 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.483 7.549 12.882 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.241 6.522 12.192 1.00 0.00 C ATOM 1412 C GLY A 93 -7.532 5.183 12.197 1.00 0.00 C ATOM 1413 O GLY A 93 -7.377 4.559 13.247 1.00 0.00 O ATOM 0 H GLY A 93 -6.892 7.208 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.218 6.415 12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.417 6.834 11.162 1.00 0.00 H new ATOM 1417 N MET A 94 -7.097 4.741 11.022 1.00 0.00 N ATOM 1418 CA MET A 94 -6.398 3.468 10.896 1.00 0.00 C ATOM 1419 C MET A 94 -5.327 3.542 9.812 1.00 0.00 C ATOM 1420 O MET A 94 -5.635 3.705 8.631 1.00 0.00 O ATOM 1421 CB MET A 94 -7.389 2.348 10.575 1.00 0.00 C ATOM 1422 CG MET A 94 -8.319 2.009 11.729 1.00 0.00 C ATOM 1423 SD MET A 94 -7.516 1.009 12.997 1.00 0.00 S ATOM 1424 CE MET A 94 -7.658 2.089 14.419 1.00 0.00 C ATOM 0 H MET A 94 -7.216 5.246 10.144 1.00 0.00 H new ATOM 0 HA MET A 94 -5.913 3.252 11.848 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.987 2.640 9.711 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.834 1.454 10.292 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.686 2.932 12.178 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.188 1.474 11.345 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.793 1.489 15.319 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.751 2.687 14.514 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.516 2.749 14.290 1.00 0.00 H new ATOM 1434 N MET A 95 -4.069 3.420 10.222 1.00 0.00 N ATOM 1435 CA MET A 95 -2.951 3.471 9.286 1.00 0.00 C ATOM 1436 C MET A 95 -2.281 2.107 9.170 1.00 0.00 C ATOM 1437 O MET A 95 -2.207 1.356 10.143 1.00 0.00 O ATOM 1438 CB MET A 95 -1.930 4.518 9.735 1.00 0.00 C ATOM 1439 CG MET A 95 -1.203 5.191 8.582 1.00 0.00 C ATOM 1440 SD MET A 95 -0.344 6.694 9.087 1.00 0.00 S ATOM 1441 CE MET A 95 -1.282 7.934 8.198 1.00 0.00 C ATOM 0 H MET A 95 -3.798 3.285 11.196 1.00 0.00 H new ATOM 0 HA MET A 95 -3.339 3.751 8.307 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.438 5.279 10.327 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.198 4.043 10.388 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.484 4.493 8.153 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.920 5.433 7.797 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.719 8.867 8.172 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.464 7.592 7.179 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.235 8.099 8.701 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.796 1.790 7.974 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.134 0.512 7.736 1.00 0.00 C ATOM 1453 C HIS A 96 0.110 0.691 6.871 1.00 0.00 C ATOM 1454 O HIS A 96 0.026 1.132 5.725 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.094 -0.480 7.068 1.00 0.00 C ATOM 1456 CG HIS A 96 -3.145 0.167 6.218 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -4.059 1.075 6.709 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -3.426 0.030 4.900 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -4.856 1.468 5.732 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -4.493 0.849 4.624 1.00 0.00 N ATOM 0 H HIS A 96 -1.848 2.398 7.157 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.829 0.113 8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -1.517 -1.170 6.452 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.581 -1.074 7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.907 -0.605 4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -5.667 2.175 5.824 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -4.934 0.961 3.711 1.00 0.00 H new ATOM 1469 N TYR A 97 1.264 0.339 7.430 1.00 0.00 N ATOM 1470 CA TYR A 97 2.529 0.451 6.715 1.00 0.00 C ATOM 1471 C TYR A 97 2.967 -0.913 6.192 1.00 0.00 C ATOM 1472 O TYR A 97 3.442 -1.755 6.954 1.00 0.00 O ATOM 1473 CB TYR A 97 3.609 1.031 7.631 1.00 0.00 C ATOM 1474 CG TYR A 97 3.374 2.477 8.009 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.211 2.866 8.664 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.316 3.454 7.710 1.00 0.00 C ATOM 1477 CE1 TYR A 97 1.994 4.186 9.010 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.106 4.776 8.053 1.00 0.00 C ATOM 1479 CZ TYR A 97 2.945 5.137 8.703 1.00 0.00 C ATOM 1480 OH TYR A 97 2.732 6.452 9.046 1.00 0.00 O ATOM 0 H TYR A 97 1.348 -0.027 8.378 1.00 0.00 H new ATOM 0 HA TYR A 97 2.387 1.123 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.663 0.431 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.576 0.947 7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.465 2.124 8.906 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.227 3.175 7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.085 4.472 9.518 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.848 5.523 7.813 1.00 0.00 H new ATOM 0 HH TYR A 97 3.570 6.847 9.365 1.00 0.00 H new ATOM 1490 N LEU A 98 2.796 -1.130 4.893 1.00 0.00 N ATOM 1491 CA LEU A 98 3.165 -2.401 4.277 1.00 0.00 C ATOM 1492 C LEU A 98 4.268 -2.217 3.242 1.00 0.00 C ATOM 1493 O LEU A 98 4.280 -1.237 2.498 1.00 0.00 O ATOM 1494 CB LEU A 98 1.942 -3.043 3.621 1.00 0.00 C ATOM 1495 CG LEU A 98 1.393 -2.292 2.404 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.143 -3.251 1.250 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.118 -1.547 2.768 1.00 0.00 C ATOM 0 H LEU A 98 2.405 -0.445 4.246 1.00 0.00 H new ATOM 0 HA LEU A 98 3.541 -3.056 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.202 -4.057 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.150 -3.126 4.366 1.00 0.00 H new ATOM 0 HG LEU A 98 2.138 -1.563 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.753 -2.698 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.078 -3.737 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.418 -4.006 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.258 -1.019 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.633 -2.258 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.330 -0.829 3.561 1.00 0.00 H new ATOM 1509 N THR A 99 5.191 -3.173 3.196 1.00 0.00 N ATOM 1510 CA THR A 99 6.294 -3.124 2.246 1.00 0.00 C ATOM 1511 C THR A 99 6.147 -4.225 1.203 1.00 0.00 C ATOM 1512 O THR A 99 5.882 -5.377 1.541 1.00 0.00 O ATOM 1513 CB THR A 99 7.629 -3.270 2.975 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.569 -2.669 4.256 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.790 -2.648 2.230 1.00 0.00 C ATOM 0 H THR A 99 5.196 -3.990 3.806 1.00 0.00 H new ATOM 0 HA THR A 99 6.271 -2.158 1.742 1.00 0.00 H new ATOM 0 HB THR A 99 7.801 -4.344 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.432 -2.774 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.707 -2.788 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.895 -3.125 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.606 -1.582 2.094 1.00 0.00 H new ATOM 1523 N VAL A 100 6.314 -3.865 -0.065 1.00 0.00 N ATOM 1524 CA VAL A 100 6.192 -4.831 -1.149 1.00 0.00 C ATOM 1525 C VAL A 100 7.328 -4.680 -2.158 1.00 0.00 C ATOM 1526 O VAL A 100 7.992 -3.644 -2.211 1.00 0.00 O ATOM 1527 CB VAL A 100 4.834 -4.694 -1.876 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.700 -4.572 -0.870 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.836 -3.503 -2.827 1.00 0.00 C ATOM 0 H VAL A 100 6.533 -2.915 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 100 6.251 -5.822 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 100 4.678 -5.596 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.752 -4.476 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.675 -5.461 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.858 -3.691 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.868 -3.432 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.023 -2.588 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.618 -3.635 -3.574 1.00 0.00 H new ATOM 1539 N GLU A 101 7.540 -5.718 -2.959 1.00 0.00 N ATOM 1540 CA GLU A 101 8.588 -5.700 -3.971 1.00 0.00 C ATOM 1541 C GLU A 101 8.053 -5.137 -5.282 1.00 0.00 C ATOM 1542 O GLU A 101 6.971 -5.512 -5.733 1.00 0.00 O ATOM 1543 CB GLU A 101 9.139 -7.110 -4.192 1.00 0.00 C ATOM 1544 CG GLU A 101 10.316 -7.451 -3.292 1.00 0.00 C ATOM 1545 CD GLU A 101 10.613 -8.938 -3.261 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.699 -9.719 -2.923 1.00 0.00 O ATOM 1547 OE2 GLU A 101 11.760 -9.321 -3.574 1.00 0.00 O1- ATOM 0 H GLU A 101 7.000 -6.582 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 101 9.395 -5.058 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.341 -7.833 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.447 -7.212 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.200 -6.915 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.107 -7.104 -2.280 1.00 0.00 H new ATOM 1554 N VAL A 102 8.810 -4.229 -5.887 1.00 0.00 N ATOM 1555 CA VAL A 102 8.401 -3.612 -7.142 1.00 0.00 C ATOM 1556 C VAL A 102 9.455 -3.801 -8.226 1.00 0.00 C ATOM 1557 O VAL A 102 10.647 -3.906 -7.937 1.00 0.00 O ATOM 1558 CB VAL A 102 8.128 -2.107 -6.965 1.00 0.00 C ATOM 1559 CG1 VAL A 102 7.446 -1.540 -8.199 1.00 0.00 C ATOM 1560 CG2 VAL A 102 7.288 -1.857 -5.721 1.00 0.00 C ATOM 0 H VAL A 102 9.708 -3.905 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 102 7.481 -4.110 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 102 9.083 -1.597 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.261 -0.475 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.089 -1.683 -9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.499 -2.054 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.106 -0.788 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.336 -2.380 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.819 -2.225 -4.843 1.00 0.00 H new ATOM 1570 N ASN A 103 9.005 -3.841 -9.475 1.00 0.00 N ATOM 1571 CA ASN A 103 9.904 -4.014 -10.610 1.00 0.00 C ATOM 1572 C ASN A 103 9.691 -2.911 -11.641 1.00 0.00 C ATOM 1573 O ASN A 103 8.566 -2.462 -11.862 1.00 0.00 O ATOM 1574 CB ASN A 103 9.685 -5.383 -11.256 1.00 0.00 C ATOM 1575 CG ASN A 103 10.676 -5.662 -12.369 1.00 0.00 C ATOM 1576 OD1 ASN A 103 10.788 -4.893 -13.324 1.00 0.00 O ATOM 1577 ND2 ASN A 103 11.402 -6.767 -12.251 1.00 0.00 N ATOM 0 H ASN A 103 8.020 -3.756 -9.728 1.00 0.00 H new ATOM 0 HA ASN A 103 10.929 -3.954 -10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.770 -6.159 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 103 8.672 -5.436 -11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.086 -7.007 -12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.276 -7.376 -11.442 1.00 0.00 H new ATOM 1584 N ASP A 104 10.780 -2.477 -12.269 1.00 0.00 N ATOM 1585 CA ASP A 104 10.712 -1.425 -13.277 1.00 0.00 C ATOM 1586 C ASP A 104 11.707 -1.685 -14.404 1.00 0.00 C ATOM 1587 O ASP A 104 12.909 -1.474 -14.245 1.00 0.00 O ATOM 1588 CB ASP A 104 10.991 -0.063 -12.640 1.00 0.00 C ATOM 1589 CG ASP A 104 10.299 1.070 -13.373 1.00 0.00 C ATOM 1590 OD1 ASP A 104 9.210 0.834 -13.938 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 10.847 2.193 -13.383 1.00 0.00 O ATOM 0 H ASP A 104 11.719 -2.837 -12.098 1.00 0.00 H new ATOM 0 HA ASP A 104 9.707 -1.424 -13.698 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.660 -0.076 -11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.066 0.117 -12.630 1.00 0.00 H new ATOM 1596 N ALA A 105 11.196 -2.144 -15.542 1.00 0.00 N ATOM 1597 CA ALA A 105 12.039 -2.432 -16.697 1.00 0.00 C ATOM 1598 C ALA A 105 13.111 -3.462 -16.354 1.00 0.00 C ATOM 1599 O ALA A 105 14.198 -3.456 -16.932 1.00 0.00 O ATOM 1600 CB ALA A 105 12.679 -1.153 -17.214 1.00 0.00 C ATOM 0 H ALA A 105 10.203 -2.324 -15.689 1.00 0.00 H new ATOM 0 HA ALA A 105 11.408 -2.852 -17.480 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.305 -1.382 -18.076 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.900 -0.450 -17.508 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.291 -0.709 -16.429 1.00 0.00 H new ATOM 1606 N GLY A 106 12.797 -4.345 -15.411 1.00 0.00 N ATOM 1607 CA GLY A 106 13.745 -5.367 -15.010 1.00 0.00 C ATOM 1608 C GLY A 106 14.358 -5.091 -13.651 1.00 0.00 C ATOM 1609 O GLY A 106 14.766 -6.015 -12.948 1.00 0.00 O ATOM 0 H GLY A 106 11.904 -4.371 -14.918 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.244 -6.335 -14.989 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.538 -5.435 -15.755 1.00 0.00 H new ATOM 1613 N LYS A 107 14.424 -3.816 -13.280 1.00 0.00 N ATOM 1614 CA LYS A 107 14.993 -3.423 -11.996 1.00 0.00 C ATOM 1615 C LYS A 107 14.094 -3.865 -10.845 1.00 0.00 C ATOM 1616 O LYS A 107 13.007 -3.322 -10.650 1.00 0.00 O ATOM 1617 CB LYS A 107 15.196 -1.908 -11.946 1.00 0.00 C ATOM 1618 CG LYS A 107 16.548 -1.458 -12.474 1.00 0.00 C ATOM 1619 CD LYS A 107 16.722 0.047 -12.349 1.00 0.00 C ATOM 1620 CE LYS A 107 16.666 0.495 -10.898 1.00 0.00 C ATOM 1621 NZ LYS A 107 17.321 1.818 -10.699 1.00 0.00 N1+ ATOM 0 H LYS A 107 14.091 -3.038 -13.850 1.00 0.00 H new ATOM 0 HA LYS A 107 15.959 -3.916 -11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.410 -1.425 -12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.086 -1.569 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.341 -1.964 -11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 107 16.648 -1.751 -13.519 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.676 0.342 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 107 15.942 0.553 -12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.626 0.553 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.154 -0.250 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.261 2.088 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.320 1.757 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 16.840 2.534 -11.279 1.00 0.00 H new ATOM 1635 N LYS A 108 14.556 -4.854 -10.087 1.00 0.00 N ATOM 1636 CA LYS A 108 13.794 -5.370 -8.955 1.00 0.00 C ATOM 1637 C LYS A 108 14.277 -4.752 -7.647 1.00 0.00 C ATOM 1638 O LYS A 108 15.479 -4.682 -7.389 1.00 0.00 O ATOM 1639 CB LYS A 108 13.914 -6.894 -8.888 1.00 0.00 C ATOM 1640 CG LYS A 108 13.128 -7.517 -7.746 1.00 0.00 C ATOM 1641 CD LYS A 108 11.782 -8.044 -8.217 1.00 0.00 C ATOM 1642 CE LYS A 108 10.809 -8.201 -7.060 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.735 -9.611 -6.585 1.00 0.00 N1+ ATOM 0 H LYS A 108 15.454 -5.314 -10.236 1.00 0.00 H new ATOM 0 HA LYS A 108 12.748 -5.100 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.568 -7.319 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.965 -7.163 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.705 -8.331 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.975 -6.776 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.362 -7.363 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.919 -9.006 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.116 -7.556 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.818 -7.870 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.100 -9.668 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.369 -10.216 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.685 -9.936 -6.312 1.00 0.00 H new ATOM 1657 N LYS A 109 13.334 -4.306 -6.824 1.00 0.00 N ATOM 1658 CA LYS A 109 13.666 -3.694 -5.542 1.00 0.00 C ATOM 1659 C LYS A 109 12.498 -3.794 -4.567 1.00 0.00 C ATOM 1660 O LYS A 109 11.392 -4.183 -4.943 1.00 0.00 O ATOM 1661 CB LYS A 109 14.052 -2.227 -5.739 1.00 0.00 C ATOM 1662 CG LYS A 109 15.505 -2.027 -6.140 1.00 0.00 C ATOM 1663 CD LYS A 109 15.869 -0.552 -6.198 1.00 0.00 C ATOM 1664 CE LYS A 109 16.258 -0.020 -4.829 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.327 1.012 -4.917 1.00 0.00 N1+ ATOM 0 H LYS A 109 12.335 -4.357 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 109 14.513 -4.236 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.410 -1.791 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.861 -1.683 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 109 16.154 -2.535 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.681 -2.485 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 109 16.695 -0.407 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.024 0.018 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.381 0.407 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.600 -0.844 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.564 1.349 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 18.173 0.598 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.992 1.811 -5.493 1.00 0.00 H new ATOM 1679 N LEU A 110 12.753 -3.436 -3.313 1.00 0.00 N ATOM 1680 CA LEU A 110 11.726 -3.479 -2.278 1.00 0.00 C ATOM 1681 C LEU A 110 11.383 -2.070 -1.805 1.00 0.00 C ATOM 1682 O LEU A 110 12.246 -1.347 -1.307 1.00 0.00 O ATOM 1683 CB LEU A 110 12.199 -4.333 -1.097 1.00 0.00 C ATOM 1684 CG LEU A 110 11.356 -4.219 0.176 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.882 -4.422 -0.139 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.824 -5.224 1.217 1.00 0.00 C ATOM 0 H LEU A 110 13.664 -3.112 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 110 10.828 -3.930 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.215 -5.377 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.226 -4.056 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 110 11.484 -3.217 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.299 -4.337 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.554 -3.663 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.735 -5.411 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.214 -5.129 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.727 -6.234 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.868 -5.031 1.466 1.00 0.00 H new ATOM 1698 N TYR A 111 10.122 -1.685 -1.966 1.00 0.00 N ATOM 1699 CA TYR A 111 9.672 -0.359 -1.557 1.00 0.00 C ATOM 1700 C TYR A 111 8.566 -0.452 -0.509 1.00 0.00 C ATOM 1701 O TYR A 111 7.738 -1.363 -0.544 1.00 0.00 O ATOM 1702 CB TYR A 111 9.179 0.432 -2.771 1.00 0.00 C ATOM 1703 CG TYR A 111 10.121 0.389 -3.956 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.499 0.321 -3.778 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.629 0.421 -5.255 1.00 0.00 C ATOM 1706 CE1 TYR A 111 12.357 0.286 -4.861 1.00 0.00 C ATOM 1707 CE2 TYR A 111 10.482 0.385 -6.342 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.844 0.318 -6.140 1.00 0.00 C ATOM 1709 OH TYR A 111 12.696 0.283 -7.220 1.00 0.00 O ATOM 0 H TYR A 111 9.394 -2.271 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 111 10.520 0.162 -1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 111 8.208 0.042 -3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.027 1.471 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.905 0.295 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.563 0.475 -5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.425 0.234 -4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.083 0.409 -7.345 1.00 0.00 H new ATOM 0 HH TYR A 111 12.174 0.312 -8.049 1.00 0.00 H new ATOM 1719 N GLU A 112 8.562 0.497 0.422 1.00 0.00 N ATOM 1720 CA GLU A 112 7.562 0.527 1.483 1.00 0.00 C ATOM 1721 C GLU A 112 6.447 1.517 1.155 1.00 0.00 C ATOM 1722 O GLU A 112 6.685 2.554 0.536 1.00 0.00 O ATOM 1723 CB GLU A 112 8.213 0.900 2.816 1.00 0.00 C ATOM 1724 CG GLU A 112 7.577 0.217 4.016 1.00 0.00 C ATOM 1725 CD GLU A 112 6.724 1.162 4.840 1.00 0.00 C ATOM 1726 OE1 GLU A 112 7.252 2.200 5.289 1.00 0.00 O ATOM 1727 OE2 GLU A 112 5.527 0.863 5.035 1.00 0.00 O1- ATOM 0 H GLU A 112 9.242 1.257 0.463 1.00 0.00 H new ATOM 0 HA GLU A 112 7.127 -0.469 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.271 0.640 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.154 1.980 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.963 -0.615 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.360 -0.204 4.647 1.00 0.00 H new ATOM 1734 N ALA A 113 5.230 1.187 1.575 1.00 0.00 N ATOM 1735 CA ALA A 113 4.075 2.043 1.328 1.00 0.00 C ATOM 1736 C ALA A 113 3.222 2.188 2.583 1.00 0.00 C ATOM 1737 O ALA A 113 2.866 1.196 3.221 1.00 0.00 O ATOM 1738 CB ALA A 113 3.240 1.482 0.187 1.00 0.00 C ATOM 0 H ALA A 113 5.018 0.332 2.089 1.00 0.00 H new ATOM 0 HA ALA A 113 4.439 3.032 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.381 2.130 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.847 1.432 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.893 0.482 0.447 1.00 0.00 H new ATOM 1744 N LYS A 114 2.891 3.429 2.932 1.00 0.00 N ATOM 1745 CA LYS A 114 2.070 3.689 4.111 1.00 0.00 C ATOM 1746 C LYS A 114 0.713 4.258 3.713 1.00 0.00 C ATOM 1747 O LYS A 114 0.623 5.361 3.175 1.00 0.00 O ATOM 1748 CB LYS A 114 2.783 4.646 5.068 1.00 0.00 C ATOM 1749 CG LYS A 114 3.140 5.977 4.438 1.00 0.00 C ATOM 1750 CD LYS A 114 4.343 6.609 5.120 1.00 0.00 C ATOM 1751 CE LYS A 114 5.637 5.918 4.721 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.802 6.844 4.778 1.00 0.00 N1+ ATOM 0 H LYS A 114 3.176 4.264 2.420 1.00 0.00 H new ATOM 0 HA LYS A 114 1.910 2.740 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.146 4.823 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.693 4.170 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.354 5.834 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.287 6.652 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.398 7.666 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.219 6.555 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.815 5.070 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.539 5.519 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.354 6.761 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.463 7.822 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.403 6.597 5.590 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.341 3.492 3.978 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.696 3.913 3.644 1.00 0.00 C ATOM 1768 C VAL A 115 -2.475 4.311 4.893 1.00 0.00 C ATOM 1769 O VAL A 115 -2.232 3.790 5.982 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.467 2.799 2.909 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -3.765 3.339 2.330 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.604 2.180 1.819 1.00 0.00 C ATOM 0 H VAL A 115 -0.282 2.576 4.423 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.602 4.777 2.986 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.715 2.019 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.295 2.538 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.389 3.728 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.543 4.139 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.166 1.396 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.321 2.948 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.706 1.752 2.265 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.410 5.240 4.727 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.227 5.713 5.838 1.00 0.00 C ATOM 1784 C TRP A 116 -5.712 5.583 5.513 1.00 0.00 C ATOM 1785 O TRP A 116 -6.129 5.809 4.377 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.888 7.170 6.158 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.651 7.722 7.323 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.745 7.182 8.574 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.427 8.926 7.346 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.532 7.977 9.373 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.962 9.053 8.641 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.720 9.909 6.396 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.773 10.124 9.010 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.526 10.970 6.763 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -7.044 11.071 8.060 1.00 0.00 C ATOM 0 H TRP A 116 -3.621 5.681 3.832 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.009 5.095 6.709 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.820 7.249 6.363 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.090 7.783 5.279 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.270 6.265 8.889 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.759 7.796 10.351 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.324 9.840 5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.173 10.204 10.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.760 11.734 6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.670 11.913 8.316 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.502 5.215 6.517 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.941 5.051 6.339 1.00 0.00 C ATOM 1808 C GLU A 117 -8.685 5.341 7.640 1.00 0.00 C ATOM 1809 O GLU A 117 -8.407 4.733 8.673 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.257 3.632 5.860 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.746 3.348 5.728 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.303 2.592 6.918 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -10.350 3.175 8.022 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -10.693 1.418 6.747 1.00 0.00 O1- ATOM 0 H GLU A 117 -6.170 5.025 7.462 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.274 5.764 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.778 3.469 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.820 2.917 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.283 4.290 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.923 2.771 4.820 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.631 6.273 7.582 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.413 6.642 8.754 1.00 0.00 C ATOM 1823 C GLN A 118 -11.771 5.947 8.743 1.00 0.00 C ATOM 1824 O GLN A 118 -12.126 5.272 7.777 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.607 8.159 8.806 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.417 8.950 8.285 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.495 9.204 6.792 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.368 9.932 6.320 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.580 8.603 6.041 1.00 0.00 N ATOM 0 H GLN A 118 -9.874 6.786 6.735 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.866 6.320 9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.490 8.423 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.805 8.455 9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.361 9.904 8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.498 8.408 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.875 8.008 6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.582 8.736 5.030 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.525 6.117 9.824 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.845 5.508 9.940 1.00 0.00 C ATOM 1840 C VAL A 119 -14.935 6.573 10.020 1.00 0.00 C ATOM 1841 O VAL A 119 -16.019 6.409 9.459 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.935 4.595 11.180 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.708 5.395 12.454 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.277 3.879 11.223 1.00 0.00 C ATOM 0 H VAL A 119 -12.244 6.672 10.633 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.998 4.905 9.045 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.150 3.842 11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.776 4.732 13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.719 5.853 12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.466 6.174 12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.320 3.240 12.105 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.080 4.614 11.268 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.393 3.269 10.327 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.639 7.663 10.719 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.592 8.757 10.872 1.00 0.00 C ATOM 1856 C TRP A 120 -15.549 9.697 9.670 1.00 0.00 C ATOM 1857 O TRP A 120 -16.496 10.443 9.420 1.00 0.00 O ATOM 1858 CB TRP A 120 -15.298 9.540 12.153 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.896 10.062 12.218 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -13.426 11.221 11.671 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.780 9.441 12.865 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -12.086 11.361 11.940 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.666 10.281 12.672 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.614 8.258 13.590 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -10.406 9.973 13.177 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.362 7.954 14.091 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -10.272 8.809 13.883 1.00 0.00 C ATOM 0 H TRP A 120 -13.746 7.813 11.189 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.591 8.325 10.935 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.994 10.376 12.228 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.479 8.897 13.014 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -14.021 11.925 11.109 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.500 12.141 11.643 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.449 7.593 13.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.564 10.630 13.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -11.222 7.042 14.652 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.307 8.544 14.288 1.00 0.00 H new ATOM 1878 N MET A 121 -14.446 9.656 8.927 1.00 0.00 N ATOM 1879 CA MET A 121 -14.285 10.503 7.751 1.00 0.00 C ATOM 1880 C MET A 121 -14.626 9.733 6.479 1.00 0.00 C ATOM 1881 O MET A 121 -14.992 10.324 5.463 1.00 0.00 O ATOM 1882 CB MET A 121 -12.851 11.034 7.673 1.00 0.00 C ATOM 1883 CG MET A 121 -12.598 11.931 6.471 1.00 0.00 C ATOM 1884 SD MET A 121 -11.779 13.476 6.913 1.00 0.00 S ATOM 1885 CE MET A 121 -10.499 13.550 5.663 1.00 0.00 C ATOM 0 H MET A 121 -13.652 9.046 9.119 1.00 0.00 H new ATOM 0 HA MET A 121 -14.972 11.345 7.840 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.628 11.590 8.584 1.00 0.00 H new ATOM 0 HB3 MET A 121 -12.162 10.190 7.638 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.986 11.395 5.746 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.547 12.154 5.984 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.905 14.453 5.803 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.855 12.675 5.750 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.957 13.567 4.674 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.506 8.411 6.545 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.802 7.556 5.403 1.00 0.00 C ATOM 1897 C ASN A 122 -13.868 7.863 4.236 1.00 0.00 C ATOM 1898 O ASN A 122 -14.311 8.040 3.101 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.259 7.732 4.970 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.202 6.821 5.731 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.114 6.851 7.056 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -18.002 6.099 5.135 1.00 0.00 N flip ATOM 0 H ASN A 122 -14.205 7.908 7.380 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.645 6.521 5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.558 8.769 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.345 7.529 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -18.036 6.108 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.631 5.492 5.661 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.572 7.922 4.524 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.574 8.206 3.500 1.00 0.00 C ATOM 1911 C PHE A 123 -10.376 7.272 3.635 1.00 0.00 C ATOM 1912 O PHE A 123 -10.025 6.852 4.739 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.116 9.663 3.594 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.959 10.331 2.258 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -9.952 9.942 1.389 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.818 11.347 1.872 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -9.805 10.555 0.159 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.675 11.964 0.643 1.00 0.00 C ATOM 1919 CZ PHE A 123 -10.668 11.568 -0.214 1.00 0.00 C ATOM 0 H PHE A 123 -12.189 7.777 5.458 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.032 8.040 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.837 10.224 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.165 9.703 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.275 9.151 1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.608 11.661 2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.017 10.243 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.351 12.755 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 123 -10.555 12.049 -1.174 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.751 6.953 2.507 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.590 6.069 2.500 1.00 0.00 C ATOM 1931 C ARG A 124 -7.696 6.351 1.296 1.00 0.00 C ATOM 1932 O ARG A 124 -8.163 6.389 0.158 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.024 4.599 2.499 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.367 4.351 1.830 1.00 0.00 C ATOM 1935 CD ARG A 124 -10.359 4.810 0.382 1.00 0.00 C ATOM 1936 NE ARG A 124 -11.539 4.351 -0.346 1.00 0.00 N ATOM 1937 CZ ARG A 124 -11.732 3.089 -0.724 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -10.827 2.159 -0.445 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -12.834 2.756 -1.383 1.00 0.00 N ATOM 0 H ARG A 124 -10.028 7.293 1.586 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.020 6.264 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.262 4.006 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.071 4.244 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.607 3.289 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -11.150 4.878 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.313 5.898 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.461 4.437 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.257 5.037 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.978 2.409 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.981 1.194 -0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.533 3.467 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.982 1.789 -1.673 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.407 6.550 1.555 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.452 6.829 0.488 1.00 0.00 C ATOM 1955 C GLN A 125 -4.019 6.601 0.960 1.00 0.00 C ATOM 1956 O GLN A 125 -3.774 6.353 2.140 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.614 8.268 -0.006 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.749 9.285 1.116 1.00 0.00 C ATOM 1959 CD GLN A 125 -4.964 10.554 0.850 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -4.731 10.924 -0.301 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -4.551 11.229 1.916 1.00 0.00 N ATOM 0 H GLN A 125 -6.001 6.523 2.490 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.656 6.142 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -4.754 8.531 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.494 8.327 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.801 9.535 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.406 8.839 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.767 10.886 2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.018 12.091 1.799 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.075 6.691 0.027 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.664 6.500 0.343 1.00 0.00 C ATOM 1972 C LEU A 126 -1.030 7.812 0.793 1.00 0.00 C ATOM 1973 O LEU A 126 -1.270 8.864 0.199 1.00 0.00 O ATOM 1974 CB LEU A 126 -0.918 5.946 -0.875 1.00 0.00 C ATOM 1975 CG LEU A 126 0.605 5.888 -0.736 1.00 0.00 C ATOM 1976 CD1 LEU A 126 1.165 4.686 -1.481 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.234 7.176 -1.247 1.00 0.00 C ATOM 0 H LEU A 126 -3.263 6.895 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.590 5.782 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.287 4.941 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.165 6.559 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 126 0.851 5.780 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.249 4.662 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.738 3.772 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.910 4.762 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.317 7.119 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.979 7.314 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.857 8.019 -0.669 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.224 7.745 1.847 1.00 0.00 N ATOM 1990 CA GLN A 127 0.439 8.931 2.375 1.00 0.00 C ATOM 1991 C GLN A 127 1.834 9.093 1.784 1.00 0.00 C ATOM 1992 O GLN A 127 2.161 10.140 1.225 1.00 0.00 O ATOM 1993 CB GLN A 127 0.525 8.856 3.900 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.756 9.276 4.600 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.981 8.590 4.027 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.117 7.370 4.107 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.876 9.374 3.439 1.00 0.00 N ATOM 0 H GLN A 127 -0.014 6.884 2.352 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.155 9.800 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.772 7.835 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.342 9.492 4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.678 9.046 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.875 10.356 4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.722 10.381 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.718 8.969 3.030 1.00 0.00 H new ATOM 2006 N GLU A 128 2.657 8.058 1.916 1.00 0.00 N ATOM 2007 CA GLU A 128 4.019 8.107 1.396 1.00 0.00 C ATOM 2008 C GLU A 128 4.474 6.746 0.876 1.00 0.00 C ATOM 2009 O GLU A 128 3.956 5.700 1.278 1.00 0.00 O ATOM 2010 CB GLU A 128 4.988 8.597 2.475 1.00 0.00 C ATOM 2011 CG GLU A 128 4.409 9.673 3.380 1.00 0.00 C ATOM 2012 CD GLU A 128 4.304 11.020 2.692 1.00 0.00 C ATOM 2013 OE1 GLU A 128 5.208 11.352 1.897 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.318 11.742 2.948 1.00 0.00 O1- ATOM 0 H GLU A 128 2.408 7.182 2.375 1.00 0.00 H new ATOM 0 HA GLU A 128 4.022 8.808 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.295 7.748 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.886 8.985 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.420 9.364 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.034 9.770 4.268 1.00 0.00 H new ATOM 2021 N PHE A 129 5.458 6.779 -0.018 1.00 0.00 N ATOM 2022 CA PHE A 129 6.016 5.570 -0.609 1.00 0.00 C ATOM 2023 C PHE A 129 7.538 5.661 -0.652 1.00 0.00 C ATOM 2024 O PHE A 129 8.099 6.445 -1.418 1.00 0.00 O ATOM 2025 CB PHE A 129 5.464 5.368 -2.022 1.00 0.00 C ATOM 2026 CG PHE A 129 5.449 3.934 -2.469 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.553 3.378 -3.095 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.329 3.144 -2.266 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.539 2.060 -3.510 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.310 1.825 -2.679 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.417 1.282 -3.302 1.00 0.00 C ATOM 0 H PHE A 129 5.889 7.642 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 129 5.730 4.717 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.449 5.763 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 129 6.062 5.951 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.434 3.981 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.461 3.564 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.406 1.638 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.431 1.220 -2.515 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.405 0.252 -3.626 1.00 0.00 H new ATOM 2041 N THR A 130 8.203 4.866 0.179 1.00 0.00 N ATOM 2042 CA THR A 130 9.661 4.873 0.237 1.00 0.00 C ATOM 2043 C THR A 130 10.247 3.722 -0.573 1.00 0.00 C ATOM 2044 O THR A 130 9.620 2.676 -0.727 1.00 0.00 O ATOM 2045 CB THR A 130 10.133 4.782 1.688 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.964 3.468 2.190 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.400 5.726 2.617 1.00 0.00 C ATOM 0 H THR A 130 7.757 4.210 0.820 1.00 0.00 H new ATOM 0 HA THR A 130 10.011 5.810 -0.196 1.00 0.00 H new ATOM 0 HB THR A 130 11.186 5.064 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.273 3.430 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.784 5.610 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.553 6.753 2.286 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.335 5.495 2.604 1.00 0.00 H new ATOM 2055 N TYR A 131 11.455 3.925 -1.090 1.00 0.00 N ATOM 2056 CA TYR A 131 12.127 2.904 -1.885 1.00 0.00 C ATOM 2057 C TYR A 131 13.336 2.344 -1.144 1.00 0.00 C ATOM 2058 O TYR A 131 14.340 3.033 -0.964 1.00 0.00 O ATOM 2059 CB TYR A 131 12.563 3.483 -3.233 1.00 0.00 C ATOM 2060 CG TYR A 131 13.341 4.774 -3.114 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.686 5.992 -2.980 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.730 4.775 -3.137 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.394 7.174 -2.873 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.445 5.953 -3.029 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.772 7.149 -2.897 1.00 0.00 C ATOM 2066 OH TYR A 131 15.480 8.324 -2.790 1.00 0.00 O ATOM 0 H TYR A 131 11.988 4.787 -0.972 1.00 0.00 H new ATOM 0 HA TYR A 131 11.422 2.091 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 131 13.175 2.747 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.680 3.656 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.606 6.015 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 131 15.260 3.840 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.870 8.113 -2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.525 5.937 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 131 16.440 8.131 -2.823 1.00 0.00 H new ATOM 2076 N LEU A 132 13.232 1.091 -0.715 1.00 0.00 N ATOM 2077 CA LEU A 132 14.317 0.437 0.008 1.00 0.00 C ATOM 2078 C LEU A 132 15.291 -0.228 -0.959 1.00 0.00 C ATOM 2079 O LEU A 132 15.218 -0.022 -2.170 1.00 0.00 O ATOM 2080 CB LEU A 132 13.759 -0.603 0.983 1.00 0.00 C ATOM 2081 CG LEU A 132 12.428 -0.231 1.641 1.00 0.00 C ATOM 2082 CD1 LEU A 132 12.028 -1.282 2.665 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.519 1.141 2.291 1.00 0.00 C ATOM 0 H LEU A 132 12.407 0.508 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 132 14.854 1.200 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.632 -1.545 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.497 -0.776 1.766 1.00 0.00 H new ATOM 0 HG LEU A 132 11.660 -0.194 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.079 -1.001 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.921 -2.248 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.796 -1.351 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.564 1.389 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.299 1.132 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.760 1.887 1.534 1.00 0.00 H new ATOM 2095 N GLY A 133 16.203 -1.027 -0.415 1.00 0.00 N ATOM 2096 CA GLY A 133 17.179 -1.711 -1.243 1.00 0.00 C ATOM 2097 C GLY A 133 16.581 -2.882 -1.997 1.00 0.00 C ATOM 2098 O GLY A 133 16.461 -2.844 -3.222 1.00 0.00 O ATOM 0 H GLY A 133 16.284 -1.213 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.606 -1.004 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.997 -2.066 -0.617 1.00 0.00 H new ATOM 2102 N ASP A 134 16.207 -3.926 -1.265 1.00 0.00 N ATOM 2103 CA ASP A 134 15.618 -5.114 -1.873 1.00 0.00 C ATOM 2104 C ASP A 134 15.205 -6.123 -0.806 1.00 0.00 C ATOM 2105 O ASP A 134 15.683 -6.073 0.328 1.00 0.00 O ATOM 2106 CB ASP A 134 16.607 -5.758 -2.845 1.00 0.00 C ATOM 2107 CG ASP A 134 15.985 -6.892 -3.636 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.861 -6.711 -4.149 1.00 0.00 O ATOM 2109 OD2 ASP A 134 16.622 -7.961 -3.743 1.00 0.00 O1- ATOM 0 H ASP A 134 16.301 -3.974 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 134 14.727 -4.808 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.981 -5.000 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.466 -6.135 -2.289 1.00 0.00 H new ATOM 2114 N ALA A 135 14.316 -7.038 -1.177 1.00 0.00 N ATOM 2115 CA ALA A 135 13.839 -8.059 -0.252 1.00 0.00 C ATOM 2116 C ALA A 135 14.384 -9.434 -0.624 1.00 0.00 C ATOM 2117 O ALA A 135 15.183 -9.514 -1.581 1.00 0.00 O ATOM 2118 CB ALA A 135 12.318 -8.081 -0.229 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.007 -10.420 0.044 1.00 0.00 O ATOM 0 H ALA A 135 13.911 -7.093 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 135 14.203 -7.810 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.976 -8.848 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.945 -7.108 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.942 -8.303 -1.228 1.00 0.00 H new TER 2125 ALA A 135