USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 983 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 30 SER OG : rot 1:sc= 0.524 USER MOD Set 1.2: A 72 SER OG : rot -124:sc= 1.17 USER MOD Set 2.1: A 13 THR OG1 : rot 45:sc= 0.698 USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0.517 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0329 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.928 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.209 K(o=-0.21,f=-0.87) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc=-0.000376 F(o=-0.63,f=-0.00038) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.931) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.15) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -179:sc= 0.134 USER MOD Single : A 56 ASN : amide:sc= 0.0594 K(o=0.059,f=-1.5!) USER MOD Single : A 57 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 THR OG1 : rot -81:sc= 1.12 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 140:sc=-0.00519 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0416 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 85 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.046) USER MOD Single : A 86 CYS SG : rot 145:sc= -0.0169 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.211 F(o=-0.84,f=-0.21) USER MOD Single : A 105 THR OG1 : rot 87:sc= 0.887 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.428 22.535 -18.626 1.00 0.00 N ATOM 2 CA GLY A 1 7.883 22.420 -18.489 1.00 0.00 C ATOM 3 C GLY A 1 8.253 22.382 -17.021 1.00 0.00 C ATOM 4 O GLY A 1 7.583 21.686 -16.257 1.00 0.00 O ATOM 0 H1 GLY A 1 6.113 21.987 -19.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.968 22.166 -17.769 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.169 23.534 -18.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.235 21.516 -18.987 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.372 23.264 -18.976 1.00 0.00 H new ATOM 8 N SER A 2 9.281 23.141 -16.628 1.00 0.00 N ATOM 9 CA SER A 2 9.879 23.164 -15.295 1.00 0.00 C ATOM 10 C SER A 2 10.813 21.961 -15.136 1.00 0.00 C ATOM 11 O SER A 2 10.487 20.843 -15.546 1.00 0.00 O ATOM 12 CB SER A 2 8.814 23.295 -14.192 1.00 0.00 C ATOM 13 OG SER A 2 9.326 24.014 -13.083 1.00 0.00 O ATOM 0 H SER A 2 9.741 23.789 -17.267 1.00 0.00 H new ATOM 0 HA SER A 2 10.492 24.058 -15.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.935 23.804 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.491 22.304 -13.872 1.00 0.00 H new ATOM 0 HG SER A 2 8.634 24.088 -12.393 1.00 0.00 H new ATOM 19 N SER A 3 12.026 22.197 -14.638 1.00 0.00 N ATOM 20 CA SER A 3 13.097 21.215 -14.480 1.00 0.00 C ATOM 21 C SER A 3 14.111 21.764 -13.475 1.00 0.00 C ATOM 22 O SER A 3 14.282 22.985 -13.406 1.00 0.00 O ATOM 23 CB SER A 3 13.753 20.986 -15.841 1.00 0.00 C ATOM 24 OG SER A 3 12.907 20.174 -16.633 1.00 0.00 O ATOM 0 H SER A 3 12.302 23.125 -14.318 1.00 0.00 H new ATOM 0 HA SER A 3 12.709 20.265 -14.112 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.931 21.940 -16.338 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.724 20.506 -15.714 1.00 0.00 H new ATOM 0 HG SER A 3 11.992 20.217 -16.285 1.00 0.00 H new ATOM 30 N GLY A 4 14.747 20.888 -12.690 1.00 0.00 N ATOM 31 CA GLY A 4 15.499 21.239 -11.488 1.00 0.00 C ATOM 32 C GLY A 4 16.527 20.161 -11.155 1.00 0.00 C ATOM 33 O GLY A 4 16.902 19.377 -12.030 1.00 0.00 O ATOM 0 H GLY A 4 14.751 19.886 -12.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.003 22.194 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.814 21.366 -10.650 1.00 0.00 H new ATOM 37 N SER A 5 17.042 20.151 -9.922 1.00 0.00 N ATOM 38 CA SER A 5 18.058 19.186 -9.504 1.00 0.00 C ATOM 39 C SER A 5 17.396 17.843 -9.183 1.00 0.00 C ATOM 40 O SER A 5 17.708 16.835 -9.817 1.00 0.00 O ATOM 41 CB SER A 5 18.843 19.746 -8.312 1.00 0.00 C ATOM 42 OG SER A 5 20.182 19.312 -8.356 1.00 0.00 O ATOM 0 H SER A 5 16.767 20.808 -9.191 1.00 0.00 H new ATOM 0 HA SER A 5 18.768 19.015 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.807 20.835 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.380 19.423 -7.380 1.00 0.00 H new ATOM 0 HG SER A 5 20.670 19.679 -7.590 1.00 0.00 H new ATOM 48 N SER A 6 16.438 17.857 -8.251 1.00 0.00 N ATOM 49 CA SER A 6 15.542 16.748 -7.938 1.00 0.00 C ATOM 50 C SER A 6 16.214 15.523 -7.288 1.00 0.00 C ATOM 51 O SER A 6 15.594 14.461 -7.210 1.00 0.00 O ATOM 52 CB SER A 6 14.715 16.393 -9.176 1.00 0.00 C ATOM 53 OG SER A 6 14.195 17.569 -9.784 1.00 0.00 O ATOM 0 H SER A 6 16.261 18.678 -7.672 1.00 0.00 H new ATOM 0 HA SER A 6 14.875 17.098 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.334 15.851 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.897 15.730 -8.896 1.00 0.00 H new ATOM 0 HG SER A 6 13.670 17.324 -10.575 1.00 0.00 H new ATOM 59 N GLY A 7 17.431 15.651 -6.750 1.00 0.00 N ATOM 60 CA GLY A 7 18.111 14.604 -5.997 1.00 0.00 C ATOM 61 C GLY A 7 18.683 15.172 -4.703 1.00 0.00 C ATOM 62 O GLY A 7 19.847 15.580 -4.690 1.00 0.00 O ATOM 0 H GLY A 7 17.979 16.507 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.414 13.797 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.912 14.174 -6.599 1.00 0.00 H new ATOM 66 N MET A 8 17.869 15.214 -3.641 1.00 0.00 N ATOM 67 CA MET A 8 18.271 15.564 -2.281 1.00 0.00 C ATOM 68 C MET A 8 18.910 14.334 -1.630 1.00 0.00 C ATOM 69 O MET A 8 20.099 14.100 -1.865 1.00 0.00 O ATOM 70 CB MET A 8 17.108 16.219 -1.509 1.00 0.00 C ATOM 71 CG MET A 8 17.532 16.832 -0.165 1.00 0.00 C ATOM 72 SD MET A 8 17.360 15.744 1.276 1.00 0.00 S ATOM 73 CE MET A 8 18.233 16.725 2.529 1.00 0.00 C ATOM 0 H MET A 8 16.875 14.996 -3.713 1.00 0.00 H new ATOM 0 HA MET A 8 19.038 16.338 -2.274 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.663 16.997 -2.130 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.335 15.472 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 8 18.573 17.145 -0.240 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.941 17.731 0.007 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.219 16.194 3.481 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.265 16.881 2.215 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.740 17.690 2.644 1.00 0.00 H new ATOM 83 N ASN A 9 18.163 13.510 -0.885 1.00 0.00 N ATOM 84 CA ASN A 9 18.695 12.350 -0.164 1.00 0.00 C ATOM 85 C ASN A 9 17.672 11.202 -0.143 1.00 0.00 C ATOM 86 O ASN A 9 16.581 11.319 -0.713 1.00 0.00 O ATOM 87 CB ASN A 9 19.143 12.782 1.250 1.00 0.00 C ATOM 88 CG ASN A 9 20.346 12.005 1.769 1.00 0.00 C ATOM 89 OD1 ASN A 9 21.286 11.706 1.031 1.00 0.00 O ATOM 90 ND2 ASN A 9 20.380 11.660 3.041 1.00 0.00 N ATOM 0 H ASN A 9 17.158 13.633 -0.765 1.00 0.00 H new ATOM 0 HA ASN A 9 19.572 11.964 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.385 13.845 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.311 12.653 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.182 11.148 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.605 11.905 3.657 1.00 0.00 H new ATOM 97 N LYS A 10 18.030 10.067 0.466 1.00 0.00 N ATOM 98 CA LYS A 10 17.292 8.806 0.368 1.00 0.00 C ATOM 99 C LYS A 10 15.867 8.945 0.932 1.00 0.00 C ATOM 100 O LYS A 10 15.681 9.594 1.971 1.00 0.00 O ATOM 101 CB LYS A 10 18.061 7.670 1.085 1.00 0.00 C ATOM 102 CG LYS A 10 18.320 6.424 0.210 1.00 0.00 C ATOM 103 CD LYS A 10 19.810 6.101 0.018 1.00 0.00 C ATOM 104 CE LYS A 10 20.529 7.150 -0.839 1.00 0.00 C ATOM 105 NZ LYS A 10 21.909 6.737 -1.158 1.00 0.00 N ATOM 0 H LYS A 10 18.861 9.999 1.054 1.00 0.00 H new ATOM 0 HA LYS A 10 17.204 8.550 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 10 19.018 8.059 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.498 7.368 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.827 5.564 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.862 6.576 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.294 6.038 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.909 5.122 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.973 7.309 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.547 8.103 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.365 7.470 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 22.446 6.610 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 21.890 5.840 -1.684 1.00 0.00 H new ATOM 119 N PRO A 11 14.873 8.341 0.263 1.00 0.00 N ATOM 120 CA PRO A 11 13.484 8.349 0.694 1.00 0.00 C ATOM 121 C PRO A 11 13.203 7.400 1.869 1.00 0.00 C ATOM 122 O PRO A 11 14.118 6.910 2.532 1.00 0.00 O ATOM 123 CB PRO A 11 12.674 8.054 -0.570 1.00 0.00 C ATOM 124 CG PRO A 11 13.622 7.206 -1.407 1.00 0.00 C ATOM 125 CD PRO A 11 14.992 7.744 -1.057 1.00 0.00 C ATOM 0 HA PRO A 11 13.197 9.312 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.752 7.519 -0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.390 8.970 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.533 6.147 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.413 7.306 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.734 6.946 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.318 8.482 -1.789 1.00 0.00 H new ATOM 133 N LEU A 12 11.912 7.231 2.169 1.00 0.00 N ATOM 134 CA LEU A 12 11.369 6.501 3.304 1.00 0.00 C ATOM 135 C LEU A 12 11.841 5.054 3.219 1.00 0.00 C ATOM 136 O LEU A 12 11.554 4.357 2.255 1.00 0.00 O ATOM 137 CB LEU A 12 9.827 6.552 3.319 1.00 0.00 C ATOM 138 CG LEU A 12 9.135 7.929 3.373 1.00 0.00 C ATOM 139 CD1 LEU A 12 9.526 8.708 4.632 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.321 8.819 2.138 1.00 0.00 C ATOM 0 H LEU A 12 11.176 7.628 1.584 1.00 0.00 H new ATOM 0 HA LEU A 12 11.722 6.963 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.470 6.037 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.485 5.976 4.179 1.00 0.00 H new ATOM 0 HG LEU A 12 8.075 7.677 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.019 9.673 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.233 8.141 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.605 8.865 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.793 9.761 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.382 9.018 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.920 8.312 1.260 1.00 0.00 H new ATOM 152 N THR A 13 12.568 4.603 4.230 1.00 0.00 N ATOM 153 CA THR A 13 13.182 3.297 4.285 1.00 0.00 C ATOM 154 C THR A 13 12.087 2.231 4.368 1.00 0.00 C ATOM 155 O THR A 13 11.042 2.487 4.970 1.00 0.00 O ATOM 156 CB THR A 13 14.134 3.260 5.498 1.00 0.00 C ATOM 157 OG1 THR A 13 13.677 4.110 6.541 1.00 0.00 O ATOM 158 CG2 THR A 13 15.517 3.762 5.099 1.00 0.00 C ATOM 0 H THR A 13 12.750 5.163 5.063 1.00 0.00 H new ATOM 0 HA THR A 13 13.767 3.092 3.388 1.00 0.00 H new ATOM 0 HB THR A 13 14.168 2.225 5.840 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.714 3.981 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.179 3.731 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.921 3.127 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.441 4.787 4.737 1.00 0.00 H new ATOM 166 N PRO A 14 12.328 1.018 3.853 1.00 0.00 N ATOM 167 CA PRO A 14 11.299 -0.002 3.709 1.00 0.00 C ATOM 168 C PRO A 14 10.753 -0.423 5.070 1.00 0.00 C ATOM 169 O PRO A 14 9.557 -0.646 5.215 1.00 0.00 O ATOM 170 CB PRO A 14 11.953 -1.165 2.957 1.00 0.00 C ATOM 171 CG PRO A 14 13.458 -0.914 3.040 1.00 0.00 C ATOM 172 CD PRO A 14 13.619 0.564 3.388 1.00 0.00 C ATOM 0 HA PRO A 14 10.438 0.370 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.690 -2.121 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.618 -1.199 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.918 -1.546 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.945 -1.147 2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.379 0.701 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.941 1.135 2.517 1.00 0.00 H new ATOM 180 N SER A 15 11.608 -0.462 6.089 1.00 0.00 N ATOM 181 CA SER A 15 11.253 -0.843 7.441 1.00 0.00 C ATOM 182 C SER A 15 10.411 0.212 8.179 1.00 0.00 C ATOM 183 O SER A 15 10.025 -0.013 9.332 1.00 0.00 O ATOM 184 CB SER A 15 12.577 -1.131 8.154 1.00 0.00 C ATOM 185 OG SER A 15 13.446 -0.003 8.089 1.00 0.00 O ATOM 0 H SER A 15 12.594 -0.221 5.987 1.00 0.00 H new ATOM 0 HA SER A 15 10.605 -1.719 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.385 -1.388 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 15 13.060 -1.994 7.697 1.00 0.00 H new ATOM 0 HG SER A 15 14.285 -0.209 8.552 1.00 0.00 H new ATOM 191 N THR A 16 10.179 1.387 7.584 1.00 0.00 N ATOM 192 CA THR A 16 9.299 2.416 8.129 1.00 0.00 C ATOM 193 C THR A 16 7.866 1.868 8.157 1.00 0.00 C ATOM 194 O THR A 16 7.481 1.110 7.272 1.00 0.00 O ATOM 195 CB THR A 16 9.453 3.671 7.256 1.00 0.00 C ATOM 196 OG1 THR A 16 10.820 4.037 7.264 1.00 0.00 O ATOM 197 CG2 THR A 16 8.638 4.895 7.667 1.00 0.00 C ATOM 0 H THR A 16 10.606 1.650 6.696 1.00 0.00 H new ATOM 0 HA THR A 16 9.555 2.688 9.153 1.00 0.00 H new ATOM 0 HB THR A 16 9.067 3.388 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.948 4.836 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.834 5.712 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.576 4.649 7.647 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.921 5.199 8.675 1.00 0.00 H new ATOM 205 N TYR A 17 7.063 2.225 9.159 1.00 0.00 N ATOM 206 CA TYR A 17 5.657 1.825 9.226 1.00 0.00 C ATOM 207 C TYR A 17 4.834 2.885 8.498 1.00 0.00 C ATOM 208 O TYR A 17 5.139 4.072 8.607 1.00 0.00 O ATOM 209 CB TYR A 17 5.211 1.678 10.689 1.00 0.00 C ATOM 210 CG TYR A 17 5.547 0.350 11.354 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.739 -0.345 11.054 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.638 -0.206 12.276 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.996 -1.604 11.622 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.906 -1.448 12.877 1.00 0.00 C ATOM 215 CZ TYR A 17 6.070 -2.164 12.526 1.00 0.00 C ATOM 216 OH TYR A 17 6.315 -3.369 13.106 1.00 0.00 O ATOM 0 H TYR A 17 7.368 2.798 9.946 1.00 0.00 H new ATOM 0 HA TYR A 17 5.511 0.856 8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.667 2.479 11.270 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.132 1.824 10.737 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.460 0.096 10.381 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.730 0.325 12.522 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.898 -2.140 11.368 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.221 -1.854 13.607 1.00 0.00 H new ATOM 0 HH TYR A 17 5.573 -3.602 13.702 1.00 0.00 H new ATOM 226 N ILE A 18 3.769 2.486 7.794 1.00 0.00 N ATOM 227 CA ILE A 18 3.009 3.395 6.920 1.00 0.00 C ATOM 228 C ILE A 18 2.461 4.592 7.700 1.00 0.00 C ATOM 229 O ILE A 18 2.464 5.725 7.222 1.00 0.00 O ATOM 230 CB ILE A 18 1.830 2.672 6.229 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.163 1.270 5.683 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.314 3.572 5.088 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.956 1.356 4.387 1.00 0.00 C ATOM 0 H ILE A 18 3.409 1.532 7.811 1.00 0.00 H new ATOM 0 HA ILE A 18 3.708 3.745 6.161 1.00 0.00 H new ATOM 0 HB ILE A 18 1.070 2.505 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.735 0.714 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.240 0.716 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.481 3.081 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.980 4.525 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.117 3.748 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.175 0.351 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.372 1.890 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.890 1.889 4.566 1.00 0.00 H new ATOM 245 N ARG A 19 2.008 4.332 8.925 1.00 0.00 N ATOM 246 CA ARG A 19 1.470 5.337 9.838 1.00 0.00 C ATOM 247 C ARG A 19 2.456 6.469 10.114 1.00 0.00 C ATOM 248 O ARG A 19 2.034 7.560 10.474 1.00 0.00 O ATOM 249 CB ARG A 19 1.039 4.664 11.148 1.00 0.00 C ATOM 250 CG ARG A 19 2.185 3.954 11.897 1.00 0.00 C ATOM 251 CD ARG A 19 2.645 4.726 13.139 1.00 0.00 C ATOM 252 NE ARG A 19 3.919 4.213 13.665 1.00 0.00 N ATOM 253 CZ ARG A 19 4.147 3.081 14.338 1.00 0.00 C ATOM 254 NH1 ARG A 19 3.157 2.230 14.593 1.00 0.00 N ATOM 255 NH2 ARG A 19 5.382 2.832 14.744 1.00 0.00 N ATOM 0 H ARG A 19 2.005 3.391 9.320 1.00 0.00 H new ATOM 0 HA ARG A 19 0.605 5.791 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.602 5.417 11.804 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.256 3.937 10.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.858 2.958 12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.030 3.824 11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.754 5.782 12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.880 4.658 13.912 1.00 0.00 H new ATOM 0 HE ARG A 19 4.737 4.798 13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.211 2.438 14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.344 1.369 15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.129 3.496 14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.586 1.976 15.260 1.00 0.00 H new ATOM 269 N ASN A 20 3.759 6.225 9.977 1.00 0.00 N ATOM 270 CA ASN A 20 4.795 7.223 10.218 1.00 0.00 C ATOM 271 C ASN A 20 4.863 8.257 9.086 1.00 0.00 C ATOM 272 O ASN A 20 5.497 9.303 9.227 1.00 0.00 O ATOM 273 CB ASN A 20 6.150 6.511 10.353 1.00 0.00 C ATOM 274 CG ASN A 20 7.147 7.244 11.240 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.046 8.430 11.539 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.118 6.507 11.750 1.00 0.00 N ATOM 0 H ASN A 20 4.127 5.317 9.692 1.00 0.00 H new ATOM 0 HA ASN A 20 4.552 7.757 11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.986 5.512 10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.584 6.387 9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.789 6.923 12.396 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.197 5.522 11.498 1.00 0.00 H new ATOM 283 N LEU A 21 4.245 7.983 7.935 1.00 0.00 N ATOM 284 CA LEU A 21 4.335 8.834 6.760 1.00 0.00 C ATOM 285 C LEU A 21 3.490 10.087 6.977 1.00 0.00 C ATOM 286 O LEU A 21 2.315 10.007 7.333 1.00 0.00 O ATOM 287 CB LEU A 21 3.952 8.065 5.484 1.00 0.00 C ATOM 288 CG LEU A 21 4.852 6.840 5.190 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.650 6.389 3.739 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.339 7.121 5.432 1.00 0.00 C ATOM 0 H LEU A 21 3.665 7.156 7.797 1.00 0.00 H new ATOM 0 HA LEU A 21 5.368 9.150 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.918 7.730 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.996 8.747 4.635 1.00 0.00 H new ATOM 0 HG LEU A 21 4.554 6.053 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.285 5.527 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.606 6.116 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.916 7.203 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.919 6.226 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.665 7.935 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.491 7.402 6.474 1.00 0.00 H new ATOM 302 N ASN A 22 4.101 11.261 6.802 1.00 0.00 N ATOM 303 CA ASN A 22 3.480 12.561 7.059 1.00 0.00 C ATOM 304 C ASN A 22 2.241 12.750 6.187 1.00 0.00 C ATOM 305 O ASN A 22 2.151 12.164 5.109 1.00 0.00 O ATOM 306 CB ASN A 22 4.494 13.700 6.803 1.00 0.00 C ATOM 307 CG ASN A 22 4.933 14.341 8.111 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.312 13.639 9.043 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.859 15.654 8.231 1.00 0.00 N ATOM 0 H ASN A 22 5.063 11.335 6.470 1.00 0.00 H new ATOM 0 HA ASN A 22 3.172 12.593 8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.364 13.307 6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.044 14.454 6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.119 16.101 9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.542 16.221 7.445 1.00 0.00 H new ATOM 316 N VAL A 23 1.316 13.628 6.593 1.00 0.00 N ATOM 317 CA VAL A 23 0.100 13.913 5.841 1.00 0.00 C ATOM 318 C VAL A 23 0.411 14.348 4.402 1.00 0.00 C ATOM 319 O VAL A 23 -0.281 13.916 3.485 1.00 0.00 O ATOM 320 CB VAL A 23 -0.761 14.908 6.643 1.00 0.00 C ATOM 321 CG1 VAL A 23 -0.146 16.309 6.790 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.162 15.000 6.046 1.00 0.00 C ATOM 0 H VAL A 23 1.396 14.161 7.459 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.491 13.006 5.719 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.811 14.504 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.819 16.943 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.812 16.234 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.005 16.745 5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.758 15.707 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.096 15.341 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.635 14.018 6.075 1.00 0.00 H new ATOM 332 N GLY A 24 1.500 15.096 4.181 1.00 0.00 N ATOM 333 CA GLY A 24 1.981 15.421 2.846 1.00 0.00 C ATOM 334 C GLY A 24 2.254 14.161 2.029 1.00 0.00 C ATOM 335 O GLY A 24 1.739 14.017 0.927 1.00 0.00 O ATOM 0 H GLY A 24 2.069 15.490 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.243 16.037 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.893 16.013 2.921 1.00 0.00 H new ATOM 339 N ILE A 25 3.027 13.214 2.570 1.00 0.00 N ATOM 340 CA ILE A 25 3.365 11.955 1.906 1.00 0.00 C ATOM 341 C ILE A 25 2.085 11.152 1.636 1.00 0.00 C ATOM 342 O ILE A 25 1.912 10.610 0.549 1.00 0.00 O ATOM 343 CB ILE A 25 4.378 11.159 2.737 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.579 12.025 3.160 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.879 9.931 1.956 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.260 12.864 2.072 1.00 0.00 C ATOM 0 H ILE A 25 3.442 13.304 3.498 1.00 0.00 H new ATOM 0 HA ILE A 25 3.838 12.168 0.947 1.00 0.00 H new ATOM 0 HB ILE A 25 3.861 10.829 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.247 12.701 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.330 11.368 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.597 9.381 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.036 9.284 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.360 10.258 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.088 13.423 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.639 12.207 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.538 13.560 1.644 1.00 0.00 H new ATOM 358 N LEU A 26 1.169 11.114 2.604 1.00 0.00 N ATOM 359 CA LEU A 26 -0.131 10.465 2.484 1.00 0.00 C ATOM 360 C LEU A 26 -0.968 11.093 1.365 1.00 0.00 C ATOM 361 O LEU A 26 -1.657 10.368 0.648 1.00 0.00 O ATOM 362 CB LEU A 26 -0.849 10.537 3.843 1.00 0.00 C ATOM 363 CG LEU A 26 -0.438 9.415 4.818 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.824 9.798 6.250 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.100 8.075 4.468 1.00 0.00 C ATOM 0 H LEU A 26 1.317 11.546 3.516 1.00 0.00 H new ATOM 0 HA LEU A 26 0.010 9.419 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.640 11.502 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.925 10.488 3.679 1.00 0.00 H new ATOM 0 HG LEU A 26 0.642 9.296 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.530 9.000 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.315 10.720 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.902 9.947 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.782 7.315 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.184 8.182 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.805 7.775 3.462 1.00 0.00 H new ATOM 377 N ARG A 27 -0.913 12.414 1.175 1.00 0.00 N ATOM 378 CA ARG A 27 -1.512 13.083 0.023 1.00 0.00 C ATOM 379 C ARG A 27 -0.771 12.738 -1.259 1.00 0.00 C ATOM 380 O ARG A 27 -1.443 12.513 -2.260 1.00 0.00 O ATOM 381 CB ARG A 27 -1.576 14.602 0.240 1.00 0.00 C ATOM 382 CG ARG A 27 -2.760 14.983 1.149 1.00 0.00 C ATOM 383 CD ARG A 27 -3.781 15.901 0.450 1.00 0.00 C ATOM 384 NE ARG A 27 -5.167 15.462 0.681 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.873 14.564 -0.018 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.396 14.010 -1.133 1.00 0.00 N ATOM 387 NH2 ARG A 27 -7.066 14.196 0.428 1.00 0.00 N ATOM 0 H ARG A 27 -0.448 13.051 1.822 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.534 12.720 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.644 14.948 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.675 15.106 -0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.263 14.075 1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.381 15.482 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.659 16.921 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.580 15.917 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.648 15.894 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.470 14.267 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.957 13.329 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.433 14.596 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.617 13.513 -0.092 1.00 0.00 H new ATOM 401 N LYS A 28 0.562 12.663 -1.258 1.00 0.00 N ATOM 402 CA LYS A 28 1.347 12.307 -2.443 1.00 0.00 C ATOM 403 C LYS A 28 0.931 10.936 -2.946 1.00 0.00 C ATOM 404 O LYS A 28 0.550 10.802 -4.102 1.00 0.00 O ATOM 405 CB LYS A 28 2.852 12.340 -2.169 1.00 0.00 C ATOM 406 CG LYS A 28 3.313 13.737 -1.749 1.00 0.00 C ATOM 407 CD LYS A 28 4.555 14.197 -2.500 1.00 0.00 C ATOM 408 CE LYS A 28 4.157 14.758 -3.870 1.00 0.00 C ATOM 409 NZ LYS A 28 5.023 15.869 -4.310 1.00 0.00 N ATOM 0 H LYS A 28 1.130 12.848 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 28 1.144 13.054 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.096 11.624 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.393 12.030 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.505 14.448 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.519 13.741 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.078 14.959 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.245 13.363 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.197 13.958 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.124 15.104 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.707 16.208 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.967 16.646 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.006 15.537 -4.378 1.00 0.00 H new ATOM 423 N LEU A 29 0.975 9.934 -2.067 1.00 0.00 N ATOM 424 CA LEU A 29 0.477 8.593 -2.336 1.00 0.00 C ATOM 425 C LEU A 29 -0.958 8.637 -2.844 1.00 0.00 C ATOM 426 O LEU A 29 -1.237 8.095 -3.904 1.00 0.00 O ATOM 427 CB LEU A 29 0.588 7.722 -1.073 1.00 0.00 C ATOM 428 CG LEU A 29 1.885 6.900 -0.999 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.856 5.750 -2.012 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.160 7.729 -1.182 1.00 0.00 C ATOM 0 H LEU A 29 1.366 10.038 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 29 1.091 8.146 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.524 8.363 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.264 7.043 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 29 1.922 6.501 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.783 5.181 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.012 5.096 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.753 6.155 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.031 7.077 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.142 8.213 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.216 8.488 -0.401 1.00 0.00 H new ATOM 442 N SER A 30 -1.860 9.295 -2.118 1.00 0.00 N ATOM 443 CA SER A 30 -3.267 9.429 -2.483 1.00 0.00 C ATOM 444 C SER A 30 -3.418 9.966 -3.899 1.00 0.00 C ATOM 445 O SER A 30 -4.268 9.487 -4.635 1.00 0.00 O ATOM 446 CB SER A 30 -3.931 10.283 -1.401 1.00 0.00 C ATOM 447 OG SER A 30 -5.217 10.774 -1.682 1.00 0.00 O ATOM 0 H SER A 30 -1.627 9.760 -1.240 1.00 0.00 H new ATOM 0 HA SER A 30 -3.774 8.465 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.985 9.691 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.281 11.133 -1.192 1.00 0.00 H new ATOM 0 HG SER A 30 -5.500 10.461 -2.567 1.00 0.00 H new ATOM 453 N ASP A 31 -2.544 10.869 -4.321 1.00 0.00 N ATOM 454 CA ASP A 31 -2.579 11.471 -5.641 1.00 0.00 C ATOM 455 C ASP A 31 -2.330 10.461 -6.763 1.00 0.00 C ATOM 456 O ASP A 31 -2.750 10.696 -7.895 1.00 0.00 O ATOM 457 CB ASP A 31 -1.503 12.560 -5.681 1.00 0.00 C ATOM 458 CG ASP A 31 -1.968 13.809 -6.401 1.00 0.00 C ATOM 459 OD1 ASP A 31 -3.017 14.356 -5.990 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.214 14.335 -7.252 1.00 0.00 O ATOM 0 H ASP A 31 -1.776 11.209 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.576 11.879 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.214 12.818 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.614 12.169 -6.175 1.00 0.00 H new ATOM 465 N PHE A 32 -1.627 9.360 -6.472 1.00 0.00 N ATOM 466 CA PHE A 32 -1.259 8.326 -7.438 1.00 0.00 C ATOM 467 C PHE A 32 -2.068 7.039 -7.238 1.00 0.00 C ATOM 468 O PHE A 32 -2.121 6.215 -8.147 1.00 0.00 O ATOM 469 CB PHE A 32 0.258 8.050 -7.356 1.00 0.00 C ATOM 470 CG PHE A 32 1.181 9.264 -7.387 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.809 10.465 -8.029 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.439 9.188 -6.757 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.647 11.592 -7.982 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.291 10.305 -6.737 1.00 0.00 C ATOM 475 CZ PHE A 32 2.885 11.515 -7.324 1.00 0.00 C ATOM 0 H PHE A 32 -1.290 9.161 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.499 8.693 -8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.454 7.498 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.529 7.396 -8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.129 10.518 -8.562 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.750 8.267 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.340 12.515 -8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.262 10.233 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.524 12.384 -7.269 1.00 0.00 H new ATOM 485 N ILE A 33 -2.655 6.839 -6.056 1.00 0.00 N ATOM 486 CA ILE A 33 -3.403 5.644 -5.664 1.00 0.00 C ATOM 487 C ILE A 33 -4.926 5.875 -5.750 1.00 0.00 C ATOM 488 O ILE A 33 -5.700 4.919 -5.787 1.00 0.00 O ATOM 489 CB ILE A 33 -2.868 5.201 -4.279 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.346 4.920 -4.282 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.539 3.957 -3.702 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.902 3.814 -5.241 1.00 0.00 C ATOM 0 H ILE A 33 -2.620 7.537 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.244 4.817 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.108 6.060 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.821 5.839 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.038 4.651 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.100 3.723 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.606 4.142 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.391 3.116 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.179 3.687 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.394 2.879 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.174 4.086 -6.261 1.00 0.00 H new ATOM 504 N ASP A 34 -5.377 7.131 -5.812 1.00 0.00 N ATOM 505 CA ASP A 34 -6.727 7.521 -6.223 1.00 0.00 C ATOM 506 C ASP A 34 -7.022 7.098 -7.665 1.00 0.00 C ATOM 507 O ASP A 34 -8.005 6.375 -7.859 1.00 0.00 O ATOM 508 CB ASP A 34 -6.943 9.026 -6.010 1.00 0.00 C ATOM 509 CG ASP A 34 -8.180 9.563 -6.725 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.317 9.233 -6.312 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.019 10.431 -7.608 1.00 0.00 O ATOM 0 H ASP A 34 -4.792 7.931 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.440 6.991 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.033 9.226 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.064 9.566 -6.363 1.00 0.00 H new ATOM 516 N PRO A 35 -6.213 7.495 -8.668 1.00 0.00 N ATOM 517 CA PRO A 35 -6.378 6.999 -10.026 1.00 0.00 C ATOM 518 C PRO A 35 -6.078 5.499 -10.114 1.00 0.00 C ATOM 519 O PRO A 35 -5.552 4.886 -9.181 1.00 0.00 O ATOM 520 CB PRO A 35 -5.434 7.849 -10.879 1.00 0.00 C ATOM 521 CG PRO A 35 -4.331 8.254 -9.916 1.00 0.00 C ATOM 522 CD PRO A 35 -5.101 8.440 -8.617 1.00 0.00 C ATOM 0 HA PRO A 35 -7.405 7.091 -10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.039 7.282 -11.722 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.944 8.720 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.563 7.486 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.831 9.171 -10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.463 8.246 -7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.463 9.464 -8.522 1.00 0.00 H new ATOM 530 N GLN A 36 -6.413 4.908 -11.265 1.00 0.00 N ATOM 531 CA GLN A 36 -6.286 3.482 -11.568 1.00 0.00 C ATOM 532 C GLN A 36 -7.025 2.569 -10.572 1.00 0.00 C ATOM 533 O GLN A 36 -6.826 1.354 -10.609 1.00 0.00 O ATOM 534 CB GLN A 36 -4.792 3.116 -11.727 1.00 0.00 C ATOM 535 CG GLN A 36 -4.153 3.748 -12.969 1.00 0.00 C ATOM 536 CD GLN A 36 -2.940 4.581 -12.584 1.00 0.00 C ATOM 537 OE1 GLN A 36 -3.055 5.888 -12.616 1.00 0.00 O flip ATOM 538 NE2 GLN A 36 -1.877 4.087 -12.215 1.00 0.00 N flip ATOM 0 H GLN A 36 -6.798 5.438 -12.047 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.791 3.299 -12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.247 3.439 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.693 2.032 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.857 2.967 -13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.883 4.375 -13.481 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.769 3.073 -12.184 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.102 4.691 -11.940 1.00 0.00 H new ATOM 547 N GLU A 37 -7.886 3.101 -9.691 1.00 0.00 N ATOM 548 CA GLU A 37 -8.404 2.386 -8.520 1.00 0.00 C ATOM 549 C GLU A 37 -7.242 1.713 -7.756 1.00 0.00 C ATOM 550 O GLU A 37 -7.355 0.582 -7.273 1.00 0.00 O ATOM 551 CB GLU A 37 -9.560 1.444 -8.945 1.00 0.00 C ATOM 552 CG GLU A 37 -10.900 2.190 -8.943 1.00 0.00 C ATOM 553 CD GLU A 37 -11.997 1.446 -9.714 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.619 0.500 -9.173 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.294 1.842 -10.868 1.00 0.00 O ATOM 0 H GLU A 37 -8.245 4.052 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.850 3.075 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.363 1.045 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.611 0.594 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.225 2.341 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.761 3.178 -9.381 1.00 0.00 H new ATOM 562 N GLY A 38 -6.105 2.413 -7.653 1.00 0.00 N ATOM 563 CA GLY A 38 -4.868 1.897 -7.083 1.00 0.00 C ATOM 564 C GLY A 38 -5.071 1.422 -5.649 1.00 0.00 C ATOM 565 O GLY A 38 -4.550 0.376 -5.265 1.00 0.00 O ATOM 0 H GLY A 38 -6.025 3.378 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.502 1.071 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.104 2.674 -7.106 1.00 0.00 H new ATOM 569 N TRP A 39 -5.865 2.152 -4.861 1.00 0.00 N ATOM 570 CA TRP A 39 -6.185 1.784 -3.499 1.00 0.00 C ATOM 571 C TRP A 39 -6.890 0.439 -3.451 1.00 0.00 C ATOM 572 O TRP A 39 -6.542 -0.392 -2.619 1.00 0.00 O ATOM 573 CB TRP A 39 -7.085 2.829 -2.849 1.00 0.00 C ATOM 574 CG TRP A 39 -8.410 3.104 -3.488 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.665 3.880 -4.567 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.687 2.535 -3.090 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.020 3.863 -4.830 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.703 3.064 -3.931 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.063 1.567 -2.136 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.046 2.701 -3.764 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.406 1.196 -1.961 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.397 1.798 -2.747 1.00 0.00 C ATOM 0 H TRP A 39 -6.303 3.022 -5.163 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.244 1.722 -2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.267 2.520 -1.820 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.532 3.768 -2.807 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.925 4.426 -5.133 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.463 4.376 -5.593 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.302 1.101 -1.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.805 3.112 -4.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.673 0.452 -1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.437 1.566 -2.570 1.00 0.00 H new ATOM 593 N LYS A 40 -7.879 0.235 -4.329 1.00 0.00 N ATOM 594 CA LYS A 40 -8.642 -1.001 -4.387 1.00 0.00 C ATOM 595 C LYS A 40 -7.678 -2.143 -4.634 1.00 0.00 C ATOM 596 O LYS A 40 -7.764 -3.154 -3.945 1.00 0.00 O ATOM 597 CB LYS A 40 -9.759 -0.924 -5.456 1.00 0.00 C ATOM 598 CG LYS A 40 -11.120 -0.824 -4.766 1.00 0.00 C ATOM 599 CD LYS A 40 -12.352 -0.895 -5.674 1.00 0.00 C ATOM 600 CE LYS A 40 -12.894 0.496 -6.011 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.089 0.425 -6.871 1.00 0.00 N ATOM 0 H LYS A 40 -8.168 0.929 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.154 -1.171 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.602 -0.059 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.727 -1.807 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.190 -1.626 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.155 0.116 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.094 -1.417 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.131 -1.479 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.140 1.023 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.119 1.076 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.609 1.324 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.799 0.251 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.703 -0.350 -6.549 1.00 0.00 H new ATOM 615 N LYS A 41 -6.734 -1.964 -5.559 1.00 0.00 N ATOM 616 CA LYS A 41 -5.777 -2.990 -5.912 1.00 0.00 C ATOM 617 C LYS A 41 -4.893 -3.315 -4.718 1.00 0.00 C ATOM 618 O LYS A 41 -4.816 -4.477 -4.333 1.00 0.00 O ATOM 619 CB LYS A 41 -4.987 -2.507 -7.110 1.00 0.00 C ATOM 620 CG LYS A 41 -5.845 -2.534 -8.367 1.00 0.00 C ATOM 621 CD LYS A 41 -5.212 -1.557 -9.346 1.00 0.00 C ATOM 622 CE LYS A 41 -5.731 -1.830 -10.742 1.00 0.00 C ATOM 623 NZ LYS A 41 -7.115 -1.370 -10.945 1.00 0.00 N ATOM 0 H LYS A 41 -6.619 -1.096 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.280 -3.918 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.628 -1.494 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.108 -3.136 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.881 -3.538 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.872 -2.246 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.444 -0.533 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.127 -1.657 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.082 -1.339 -11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.678 -2.901 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.495 -1.786 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.701 -1.665 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.128 -0.333 -11.021 1.00 0.00 H new ATOM 637 N LEU A 42 -4.263 -2.309 -4.103 1.00 0.00 N ATOM 638 CA LEU A 42 -3.432 -2.471 -2.923 1.00 0.00 C ATOM 639 C LEU A 42 -4.211 -3.224 -1.843 1.00 0.00 C ATOM 640 O LEU A 42 -3.765 -4.267 -1.372 1.00 0.00 O ATOM 641 CB LEU A 42 -2.976 -1.071 -2.481 1.00 0.00 C ATOM 642 CG LEU A 42 -1.831 -0.983 -1.451 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.281 -0.243 -0.194 1.00 0.00 C ATOM 644 CD2 LEU A 42 -1.160 -2.280 -1.011 1.00 0.00 C ATOM 0 H LEU A 42 -4.323 -1.343 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.545 -3.070 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.670 -0.521 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.840 -0.552 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.071 -0.445 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.455 -0.195 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.591 0.768 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.119 -0.773 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.377 -2.057 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.901 -2.936 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.722 -2.775 -1.878 1.00 0.00 H new ATOM 656 N ALA A 43 -5.405 -2.741 -1.496 1.00 0.00 N ATOM 657 CA ALA A 43 -6.287 -3.358 -0.524 1.00 0.00 C ATOM 658 C ALA A 43 -6.499 -4.849 -0.770 1.00 0.00 C ATOM 659 O ALA A 43 -6.348 -5.627 0.172 1.00 0.00 O ATOM 660 CB ALA A 43 -7.626 -2.638 -0.525 1.00 0.00 C ATOM 0 H ALA A 43 -5.789 -1.886 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.805 -3.267 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.289 -3.102 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.476 -1.590 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.075 -2.705 -1.516 1.00 0.00 H new ATOM 666 N VAL A 44 -6.879 -5.271 -1.981 1.00 0.00 N ATOM 667 CA VAL A 44 -7.115 -6.676 -2.261 1.00 0.00 C ATOM 668 C VAL A 44 -5.800 -7.460 -2.380 1.00 0.00 C ATOM 669 O VAL A 44 -5.794 -8.668 -2.149 1.00 0.00 O ATOM 670 CB VAL A 44 -8.022 -6.824 -3.496 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.382 -6.137 -3.278 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.421 -6.361 -4.832 1.00 0.00 C ATOM 0 H VAL A 44 -7.028 -4.652 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.643 -7.120 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.146 -7.903 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.999 -6.260 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.885 -6.589 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.227 -5.075 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.148 -6.512 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.166 -5.303 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.522 -6.939 -5.046 1.00 0.00 H new ATOM 682 N ALA A 45 -4.681 -6.807 -2.714 1.00 0.00 N ATOM 683 CA ALA A 45 -3.371 -7.446 -2.806 1.00 0.00 C ATOM 684 C ALA A 45 -2.836 -7.789 -1.410 1.00 0.00 C ATOM 685 O ALA A 45 -2.170 -8.815 -1.240 1.00 0.00 O ATOM 686 CB ALA A 45 -2.392 -6.543 -3.572 1.00 0.00 C ATOM 0 H ALA A 45 -4.663 -5.810 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.475 -8.380 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.419 -7.031 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.773 -6.364 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.289 -5.592 -3.049 1.00 0.00 H new ATOM 692 N ILE A 46 -3.125 -6.947 -0.409 1.00 0.00 N ATOM 693 CA ILE A 46 -2.754 -7.192 0.983 1.00 0.00 C ATOM 694 C ILE A 46 -3.442 -8.478 1.443 1.00 0.00 C ATOM 695 O ILE A 46 -4.598 -8.739 1.087 1.00 0.00 O ATOM 696 CB ILE A 46 -3.095 -5.980 1.885 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.211 -4.780 1.493 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.817 -6.289 3.365 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.764 -3.415 1.921 1.00 0.00 C ATOM 0 H ILE A 46 -3.627 -6.070 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.675 -7.320 1.064 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.153 -5.758 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.224 -4.913 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.078 -4.781 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.067 -5.418 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.425 -7.137 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.762 -6.531 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.078 -2.629 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.738 -3.255 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.870 -3.389 3.006 1.00 0.00 H new ATOM 711 N LYS A 47 -2.765 -9.253 2.288 1.00 0.00 N ATOM 712 CA LYS A 47 -3.331 -10.434 2.925 1.00 0.00 C ATOM 713 C LYS A 47 -3.113 -10.367 4.427 1.00 0.00 C ATOM 714 O LYS A 47 -2.367 -9.535 4.946 1.00 0.00 O ATOM 715 CB LYS A 47 -2.747 -11.720 2.303 1.00 0.00 C ATOM 716 CG LYS A 47 -2.961 -11.826 0.787 1.00 0.00 C ATOM 717 CD LYS A 47 -4.436 -12.031 0.406 1.00 0.00 C ATOM 718 CE LYS A 47 -4.671 -11.439 -0.982 1.00 0.00 C ATOM 719 NZ LYS A 47 -5.913 -11.947 -1.596 1.00 0.00 N ATOM 0 H LYS A 47 -1.796 -9.074 2.551 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.407 -10.460 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.678 -11.762 2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.201 -12.585 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.589 -10.920 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.371 -12.657 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.683 -13.093 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.085 -11.549 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.720 -10.353 -0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.824 -11.677 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.035 -11.521 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.856 -12.981 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.724 -11.698 -0.995 1.00 0.00 H new ATOM 733 N LYS A 48 -3.858 -11.202 5.136 1.00 0.00 N ATOM 734 CA LYS A 48 -3.702 -11.489 6.549 1.00 0.00 C ATOM 735 C LYS A 48 -2.537 -12.458 6.720 1.00 0.00 C ATOM 736 O LYS A 48 -2.196 -13.158 5.765 1.00 0.00 O ATOM 737 CB LYS A 48 -5.020 -12.110 7.034 1.00 0.00 C ATOM 738 CG LYS A 48 -6.068 -11.028 7.266 1.00 0.00 C ATOM 739 CD LYS A 48 -7.352 -11.615 7.840 1.00 0.00 C ATOM 740 CE LYS A 48 -8.323 -10.492 8.211 1.00 0.00 C ATOM 741 NZ LYS A 48 -9.385 -11.000 9.088 1.00 0.00 N ATOM 0 H LYS A 48 -4.627 -11.724 4.716 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.487 -10.593 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.385 -12.825 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.850 -12.663 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.672 -10.276 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.286 -10.522 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.815 -12.280 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.125 -12.216 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.784 -9.687 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.761 -10.068 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.035 -10.225 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.910 -11.752 8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.963 -11.383 9.958 1.00 0.00 H new ATOM 755 N PRO A 49 -2.033 -12.634 7.951 1.00 0.00 N ATOM 756 CA PRO A 49 -0.940 -13.543 8.254 1.00 0.00 C ATOM 757 C PRO A 49 -1.391 -15.015 8.223 1.00 0.00 C ATOM 758 O PRO A 49 -0.618 -15.916 8.546 1.00 0.00 O ATOM 759 CB PRO A 49 -0.426 -13.088 9.617 1.00 0.00 C ATOM 760 CG PRO A 49 -1.639 -12.461 10.304 1.00 0.00 C ATOM 761 CD PRO A 49 -2.602 -12.108 9.181 1.00 0.00 C ATOM 0 HA PRO A 49 -0.146 -13.507 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.036 -13.927 10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.386 -12.368 9.513 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.095 -13.157 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.355 -11.574 10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.585 -12.540 9.366 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.736 -11.028 9.113 1.00 0.00 H new ATOM 769 N SER A 50 -2.661 -15.275 7.908 1.00 0.00 N ATOM 770 CA SER A 50 -3.211 -16.594 7.641 1.00 0.00 C ATOM 771 C SER A 50 -3.217 -16.891 6.132 1.00 0.00 C ATOM 772 O SER A 50 -3.292 -18.058 5.743 1.00 0.00 O ATOM 773 CB SER A 50 -4.645 -16.655 8.196 1.00 0.00 C ATOM 774 OG SER A 50 -4.800 -15.798 9.322 1.00 0.00 O ATOM 0 H SER A 50 -3.360 -14.536 7.830 1.00 0.00 H new ATOM 0 HA SER A 50 -2.590 -17.346 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.351 -16.367 7.417 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.884 -17.680 8.480 1.00 0.00 H new ATOM 0 HG SER A 50 -5.721 -15.856 9.653 1.00 0.00 H new ATOM 780 N GLY A 51 -3.144 -15.855 5.286 1.00 0.00 N ATOM 781 CA GLY A 51 -3.386 -15.930 3.852 1.00 0.00 C ATOM 782 C GLY A 51 -4.821 -15.549 3.465 1.00 0.00 C ATOM 783 O GLY A 51 -5.202 -15.799 2.323 1.00 0.00 O ATOM 0 H GLY A 51 -2.906 -14.913 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.689 -15.269 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.179 -16.943 3.507 1.00 0.00 H new ATOM 787 N ASP A 52 -5.641 -15.017 4.379 1.00 0.00 N ATOM 788 CA ASP A 52 -6.987 -14.488 4.078 1.00 0.00 C ATOM 789 C ASP A 52 -6.885 -13.038 3.576 1.00 0.00 C ATOM 790 O ASP A 52 -5.805 -12.446 3.630 1.00 0.00 O ATOM 791 CB ASP A 52 -7.875 -14.556 5.337 1.00 0.00 C ATOM 792 CG ASP A 52 -8.603 -15.893 5.452 1.00 0.00 C ATOM 793 OD1 ASP A 52 -9.555 -16.136 4.677 1.00 0.00 O ATOM 794 OD2 ASP A 52 -8.210 -16.723 6.307 1.00 0.00 O ATOM 0 H ASP A 52 -5.389 -14.938 5.364 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.440 -15.098 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.260 -14.401 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.605 -13.747 5.310 1.00 0.00 H new ATOM 799 N ASP A 53 -7.992 -12.431 3.133 1.00 0.00 N ATOM 800 CA ASP A 53 -8.036 -11.001 2.809 1.00 0.00 C ATOM 801 C ASP A 53 -8.000 -10.202 4.111 1.00 0.00 C ATOM 802 O ASP A 53 -8.653 -10.569 5.088 1.00 0.00 O ATOM 803 CB ASP A 53 -9.322 -10.611 2.064 1.00 0.00 C ATOM 804 CG ASP A 53 -9.352 -11.080 0.614 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.844 -10.354 -0.273 1.00 0.00 O ATOM 806 OD2 ASP A 53 -9.944 -12.156 0.352 1.00 0.00 O ATOM 0 H ASP A 53 -8.878 -12.915 2.990 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.182 -10.785 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.179 -11.031 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.432 -9.527 2.089 1.00 0.00 H new ATOM 811 N ARG A 54 -7.299 -9.065 4.132 1.00 0.00 N ATOM 812 CA ARG A 54 -7.498 -8.051 5.169 1.00 0.00 C ATOM 813 C ARG A 54 -8.747 -7.238 4.873 1.00 0.00 C ATOM 814 O ARG A 54 -9.536 -6.991 5.783 1.00 0.00 O ATOM 815 CB ARG A 54 -6.258 -7.142 5.331 1.00 0.00 C ATOM 816 CG ARG A 54 -5.235 -7.842 6.226 1.00 0.00 C ATOM 817 CD ARG A 54 -4.115 -6.944 6.758 1.00 0.00 C ATOM 818 NE ARG A 54 -3.452 -7.582 7.907 1.00 0.00 N ATOM 819 CZ ARG A 54 -3.947 -7.686 9.149 1.00 0.00 C ATOM 820 NH1 ARG A 54 -5.100 -7.108 9.487 1.00 0.00 N ATOM 821 NH2 ARG A 54 -3.267 -8.377 10.046 1.00 0.00 N ATOM 0 H ARG A 54 -6.588 -8.824 3.441 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.636 -8.564 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.820 -6.927 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.547 -6.186 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.759 -8.284 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.787 -8.662 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.387 -6.753 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.524 -5.978 7.055 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.529 -7.983 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.625 -6.573 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.457 -7.201 10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.384 -8.818 9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.624 -8.469 10.997 1.00 0.00 H new ATOM 835 N TYR A 55 -8.936 -6.777 3.641 1.00 0.00 N ATOM 836 CA TYR A 55 -9.910 -5.737 3.338 1.00 0.00 C ATOM 837 C TYR A 55 -10.885 -6.292 2.320 1.00 0.00 C ATOM 838 O TYR A 55 -10.781 -6.019 1.126 1.00 0.00 O ATOM 839 CB TYR A 55 -9.184 -4.461 2.881 1.00 0.00 C ATOM 840 CG TYR A 55 -8.106 -4.025 3.855 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.452 -3.647 5.167 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.750 -4.078 3.476 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.444 -3.367 6.105 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.743 -3.760 4.402 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.086 -3.428 5.729 1.00 0.00 C ATOM 846 OH TYR A 55 -5.121 -3.183 6.656 1.00 0.00 O ATOM 0 H TYR A 55 -8.420 -7.113 2.828 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.485 -5.448 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.737 -4.632 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.910 -3.656 2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.491 -3.572 5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.484 -4.364 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.710 -3.104 7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.707 -3.770 4.098 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.239 -3.250 6.235 1.00 0.00 H new ATOM 856 N ASN A 56 -11.816 -7.119 2.802 1.00 0.00 N ATOM 857 CA ASN A 56 -12.854 -7.709 1.962 1.00 0.00 C ATOM 858 C ASN A 56 -13.762 -6.638 1.348 1.00 0.00 C ATOM 859 O ASN A 56 -13.752 -5.482 1.782 1.00 0.00 O ATOM 860 CB ASN A 56 -13.735 -8.666 2.771 1.00 0.00 C ATOM 861 CG ASN A 56 -13.895 -9.989 2.049 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.730 -10.086 1.160 1.00 0.00 O ATOM 863 ND2 ASN A 56 -13.113 -10.996 2.395 1.00 0.00 N ATOM 0 H ASN A 56 -11.869 -7.396 3.782 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.338 -8.249 1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.292 -8.833 3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.714 -8.215 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.194 -11.893 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.428 -10.877 3.142 1.00 0.00 H new ATOM 870 N GLN A 57 -14.664 -7.048 0.452 1.00 0.00 N ATOM 871 CA GLN A 57 -15.565 -6.149 -0.264 1.00 0.00 C ATOM 872 C GLN A 57 -16.435 -5.264 0.646 1.00 0.00 C ATOM 873 O GLN A 57 -16.800 -4.158 0.246 1.00 0.00 O ATOM 874 CB GLN A 57 -16.411 -6.948 -1.275 1.00 0.00 C ATOM 875 CG GLN A 57 -17.131 -6.099 -2.341 1.00 0.00 C ATOM 876 CD GLN A 57 -16.188 -5.407 -3.322 1.00 0.00 C ATOM 877 OE1 GLN A 57 -15.420 -6.059 -4.025 1.00 0.00 O ATOM 878 NE2 GLN A 57 -16.212 -4.088 -3.405 1.00 0.00 N ATOM 0 H GLN A 57 -14.788 -8.029 0.202 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.935 -5.441 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.764 -7.665 -1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.157 -7.523 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.815 -6.738 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.737 -5.344 -1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.852 -3.552 -2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.591 -3.607 -4.055 1.00 0.00 H new ATOM 887 N PHE A 58 -16.716 -5.699 1.876 1.00 0.00 N ATOM 888 CA PHE A 58 -17.371 -4.889 2.899 1.00 0.00 C ATOM 889 C PHE A 58 -16.574 -3.616 3.206 1.00 0.00 C ATOM 890 O PHE A 58 -17.133 -2.519 3.221 1.00 0.00 O ATOM 891 CB PHE A 58 -17.527 -5.744 4.161 1.00 0.00 C ATOM 892 CG PHE A 58 -18.123 -5.041 5.364 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.406 -4.471 5.280 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.421 -5.002 6.585 1.00 0.00 C ATOM 895 CE1 PHE A 58 -19.980 -3.860 6.406 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.009 -4.416 7.720 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.287 -3.834 7.628 1.00 0.00 C ATOM 0 H PHE A 58 -16.490 -6.642 2.192 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.348 -4.571 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.152 -6.604 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.546 -6.131 4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.950 -4.503 4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.429 -5.423 6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -20.958 -3.408 6.333 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.480 -4.413 8.662 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.734 -3.369 8.494 1.00 0.00 H new ATOM 907 N HIS A 59 -15.263 -3.749 3.437 1.00 0.00 N ATOM 908 CA HIS A 59 -14.406 -2.613 3.741 1.00 0.00 C ATOM 909 C HIS A 59 -14.264 -1.766 2.490 1.00 0.00 C ATOM 910 O HIS A 59 -14.335 -0.548 2.581 1.00 0.00 O ATOM 911 CB HIS A 59 -13.034 -3.058 4.252 1.00 0.00 C ATOM 912 CG HIS A 59 -13.105 -3.692 5.613 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.990 -5.033 5.884 1.00 0.00 N ATOM 914 CD2 HIS A 59 -13.322 -3.041 6.800 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.119 -5.184 7.208 1.00 0.00 C ATOM 916 NE2 HIS A 59 -13.352 -4.006 7.814 1.00 0.00 N ATOM 0 H HIS A 59 -14.775 -4.644 3.417 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.864 -2.028 4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.599 -3.767 3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.367 -2.197 4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.447 -1.976 6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.045 -6.130 7.723 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.517 -3.848 8.808 1.00 0.00 H new ATOM 924 N ILE A 60 -14.127 -2.395 1.319 1.00 0.00 N ATOM 925 CA ILE A 60 -14.065 -1.683 0.051 1.00 0.00 C ATOM 926 C ILE A 60 -15.282 -0.773 -0.097 1.00 0.00 C ATOM 927 O ILE A 60 -15.094 0.409 -0.344 1.00 0.00 O ATOM 928 CB ILE A 60 -13.888 -2.672 -1.116 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.600 -3.512 -0.985 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.911 -1.955 -2.468 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.308 -2.703 -0.851 1.00 0.00 C ATOM 0 H ILE A 60 -14.057 -3.409 1.229 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.188 -1.035 0.031 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.737 -3.354 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.695 -4.162 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.516 -4.159 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.783 -2.684 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.865 -1.443 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.101 -1.227 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.460 -3.383 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.180 -2.073 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.362 -2.076 0.039 1.00 0.00 H new ATOM 943 N ARG A 61 -16.509 -1.260 0.104 1.00 0.00 N ATOM 944 CA ARG A 61 -17.709 -0.419 0.056 1.00 0.00 C ATOM 945 C ARG A 61 -17.622 0.741 1.045 1.00 0.00 C ATOM 946 O ARG A 61 -17.926 1.880 0.688 1.00 0.00 O ATOM 947 CB ARG A 61 -18.937 -1.285 0.365 1.00 0.00 C ATOM 948 CG ARG A 61 -19.439 -2.022 -0.880 1.00 0.00 C ATOM 949 CD ARG A 61 -20.337 -1.100 -1.724 1.00 0.00 C ATOM 950 NE ARG A 61 -21.701 -1.635 -1.811 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.140 -2.539 -2.690 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.343 -2.970 -3.665 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.378 -3.003 -2.557 1.00 0.00 N ATOM 0 H ARG A 61 -16.699 -2.242 0.303 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.794 0.009 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.686 -2.009 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.734 -0.657 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.592 -2.360 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.996 -2.911 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.360 -0.104 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.919 -0.995 -2.725 1.00 0.00 H new ATOM 0 HE ARG A 61 -22.379 -1.282 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.392 -2.610 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.683 -3.661 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.969 -2.668 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.737 -3.694 -3.216 1.00 0.00 H new ATOM 967 N ARG A 62 -17.195 0.474 2.279 1.00 0.00 N ATOM 968 CA ARG A 62 -16.930 1.507 3.274 1.00 0.00 C ATOM 969 C ARG A 62 -15.987 2.586 2.743 1.00 0.00 C ATOM 970 O ARG A 62 -16.286 3.772 2.879 1.00 0.00 O ATOM 971 CB ARG A 62 -16.381 0.834 4.528 1.00 0.00 C ATOM 972 CG ARG A 62 -17.441 0.951 5.608 1.00 0.00 C ATOM 973 CD ARG A 62 -17.295 -0.154 6.629 1.00 0.00 C ATOM 974 NE ARG A 62 -16.121 0.042 7.490 1.00 0.00 N ATOM 975 CZ ARG A 62 -15.725 -0.728 8.506 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.392 -1.830 8.833 1.00 0.00 N ATOM 977 NH2 ARG A 62 -14.649 -0.406 9.202 1.00 0.00 N ATOM 0 H ARG A 62 -17.023 -0.473 2.616 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.858 2.025 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.148 -0.212 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.455 1.313 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.359 1.920 6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.432 0.906 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.193 -0.199 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.212 -1.112 6.116 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.543 0.858 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.222 -2.100 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.074 -2.406 9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.119 0.432 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.348 -0.996 9.978 1.00 0.00 H new ATOM 991 N PHE A 63 -14.867 2.184 2.146 1.00 0.00 N ATOM 992 CA PHE A 63 -13.883 3.071 1.539 1.00 0.00 C ATOM 993 C PHE A 63 -14.460 3.816 0.322 1.00 0.00 C ATOM 994 O PHE A 63 -14.209 5.010 0.184 1.00 0.00 O ATOM 995 CB PHE A 63 -12.625 2.273 1.162 1.00 0.00 C ATOM 996 CG PHE A 63 -11.736 1.818 2.314 1.00 0.00 C ATOM 997 CD1 PHE A 63 -11.062 2.762 3.114 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.472 0.449 2.513 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.135 2.340 4.084 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.538 0.027 3.477 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.859 0.975 4.256 1.00 0.00 C ATOM 0 H PHE A 63 -14.613 1.199 2.070 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.610 3.831 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.936 1.391 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -12.024 2.883 0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.258 3.816 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.993 -0.286 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.633 3.071 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.344 -1.026 3.617 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.128 0.656 4.984 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.258 3.170 -0.534 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.988 3.806 -1.632 1.00 0.00 C ATOM 1013 C GLU A 64 -16.842 4.946 -1.070 1.00 0.00 C ATOM 1014 O GLU A 64 -16.831 6.039 -1.621 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.859 2.801 -2.425 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.053 1.782 -3.242 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.854 0.733 -4.024 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.972 0.334 -3.621 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.328 0.258 -5.057 1.00 0.00 O ATOM 0 H GLU A 64 -15.417 2.164 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.260 4.203 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.502 2.264 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.512 3.355 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.430 2.330 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.380 1.259 -2.563 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.504 4.762 0.075 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.321 5.811 0.678 1.00 0.00 C ATOM 1028 C ALA A 65 -17.504 7.068 1.031 1.00 0.00 C ATOM 1029 O ALA A 65 -18.066 8.165 1.118 1.00 0.00 O ATOM 1030 CB ALA A 65 -19.035 5.257 1.914 1.00 0.00 C ATOM 0 H ALA A 65 -17.488 3.890 0.604 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.060 6.124 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.645 6.041 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.673 4.423 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.296 4.912 2.637 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.189 6.939 1.240 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.296 8.064 1.481 1.00 0.00 C ATOM 1038 C LEU A 66 -15.110 8.830 0.185 1.00 0.00 C ATOM 1039 O LEU A 66 -15.447 10.006 0.138 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.941 7.606 2.031 1.00 0.00 C ATOM 1041 CG LEU A 66 -14.075 6.701 3.263 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.678 6.224 3.630 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.746 7.414 4.443 1.00 0.00 C ATOM 0 H LEU A 66 -15.715 6.036 1.245 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.745 8.710 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.399 7.072 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.345 8.481 2.291 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.722 5.857 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.733 5.576 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.251 5.670 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.047 7.084 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.817 6.730 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.153 8.283 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.746 7.736 4.153 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.633 8.185 -0.883 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.380 8.852 -2.157 1.00 0.00 C ATOM 1057 C LEU A 67 -15.674 9.410 -2.747 1.00 0.00 C ATOM 1058 O LEU A 67 -15.672 10.498 -3.316 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.619 7.905 -3.100 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.439 6.919 -3.947 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.921 7.533 -5.266 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.620 5.666 -4.259 1.00 0.00 C ATOM 0 H LEU A 67 -14.413 7.189 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.737 9.718 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.026 8.516 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.918 7.326 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.314 6.661 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.495 6.793 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.551 8.397 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.061 7.846 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.218 4.981 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.724 5.946 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.334 5.177 -3.328 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.800 8.724 -2.549 1.00 0.00 N ATOM 1075 CA GLN A 68 -18.130 9.165 -2.950 1.00 0.00 C ATOM 1076 C GLN A 68 -18.616 10.353 -2.107 1.00 0.00 C ATOM 1077 O GLN A 68 -19.670 10.908 -2.409 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.108 7.986 -2.839 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.798 6.865 -3.851 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.576 5.575 -3.557 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.169 5.399 -2.493 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.603 4.638 -4.489 1.00 0.00 N ATOM 0 H GLN A 68 -16.808 7.814 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.083 9.507 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.069 7.580 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.125 8.345 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.040 7.210 -4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.729 6.652 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.112 4.782 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.115 3.771 -4.326 1.00 0.00 H new ATOM 1091 N THR A 69 -17.875 10.776 -1.082 1.00 0.00 N ATOM 1092 CA THR A 69 -18.075 12.021 -0.343 1.00 0.00 C ATOM 1093 C THR A 69 -16.814 12.900 -0.381 1.00 0.00 C ATOM 1094 O THR A 69 -16.727 13.915 0.311 1.00 0.00 O ATOM 1095 CB THR A 69 -18.568 11.706 1.077 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.704 10.850 1.804 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.939 11.040 1.021 1.00 0.00 C ATOM 0 H THR A 69 -17.085 10.236 -0.730 1.00 0.00 H new ATOM 0 HA THR A 69 -18.852 12.614 -0.825 1.00 0.00 H new ATOM 0 HB THR A 69 -18.605 12.666 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.863 9.921 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.279 10.821 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.649 11.710 0.537 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.870 10.112 0.453 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.841 12.501 -1.196 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.625 13.219 -1.538 1.00 0.00 C ATOM 1107 C GLY A 70 -13.368 12.718 -0.836 1.00 0.00 C ATOM 1108 O GLY A 70 -12.282 12.819 -1.412 1.00 0.00 O ATOM 0 H GLY A 70 -15.890 11.598 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.473 13.155 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.763 14.273 -1.298 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.503 12.185 0.380 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.378 11.914 1.267 1.00 0.00 C ATOM 1114 C LYS A 71 -11.524 10.779 0.719 1.00 0.00 C ATOM 1115 O LYS A 71 -12.062 9.833 0.147 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.884 11.564 2.661 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.737 12.682 3.262 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.922 12.464 4.763 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.642 12.844 5.516 1.00 0.00 C ATOM 1120 NZ LYS A 71 -12.801 12.774 6.980 1.00 0.00 N ATOM 0 H LYS A 71 -14.407 11.928 0.777 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.761 12.811 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.471 10.647 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.035 11.365 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.261 13.646 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.709 12.711 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.757 13.064 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.171 11.421 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.834 12.179 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.346 13.855 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.907 13.040 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.552 13.428 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.056 11.804 7.256 1.00 0.00 H new ATOM 1134 N SER A 72 -10.213 10.830 0.942 1.00 0.00 N ATOM 1135 CA SER A 72 -9.279 9.847 0.424 1.00 0.00 C ATOM 1136 C SER A 72 -9.452 8.486 1.101 1.00 0.00 C ATOM 1137 O SER A 72 -9.165 8.369 2.298 1.00 0.00 O ATOM 1138 CB SER A 72 -7.856 10.354 0.662 1.00 0.00 C ATOM 1139 OG SER A 72 -7.576 11.446 -0.184 1.00 0.00 O ATOM 0 H SER A 72 -9.770 11.565 1.494 1.00 0.00 H new ATOM 0 HA SER A 72 -9.473 9.714 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.739 10.653 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.142 9.551 0.479 1.00 0.00 H new ATOM 0 HG SER A 72 -6.773 11.253 -0.712 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.826 7.432 0.357 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.710 6.068 0.835 1.00 0.00 C ATOM 1147 C PRO A 73 -8.260 5.576 0.782 1.00 0.00 C ATOM 1148 O PRO A 73 -7.959 4.678 1.563 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.615 5.261 -0.096 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.524 5.997 -1.418 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.306 7.446 -1.020 1.00 0.00 C ATOM 0 HA PRO A 73 -10.005 5.970 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.275 4.229 -0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.640 5.227 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.701 5.623 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.435 5.877 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.580 7.924 -1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.233 8.014 -1.102 1.00 0.00 H new ATOM 1159 N THR A 74 -7.353 6.136 -0.046 1.00 0.00 N ATOM 1160 CA THR A 74 -5.932 5.793 0.040 1.00 0.00 C ATOM 1161 C THR A 74 -5.441 6.084 1.450 1.00 0.00 C ATOM 1162 O THR A 74 -4.839 5.211 2.070 1.00 0.00 O ATOM 1163 CB THR A 74 -5.071 6.593 -0.958 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.331 6.214 -2.282 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.563 6.397 -0.709 1.00 0.00 C ATOM 0 H THR A 74 -7.582 6.817 -0.770 1.00 0.00 H new ATOM 0 HA THR A 74 -5.832 4.736 -0.207 1.00 0.00 H new ATOM 0 HB THR A 74 -5.339 7.638 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.341 7.010 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.996 6.979 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.314 6.731 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.311 5.342 -0.813 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.649 7.325 1.913 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.050 7.812 3.142 1.00 0.00 C ATOM 1175 C CYS A 75 -5.414 6.880 4.284 1.00 0.00 C ATOM 1176 O CYS A 75 -4.524 6.332 4.922 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.536 9.242 3.416 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.567 9.954 4.766 1.00 0.00 S ATOM 0 H CYS A 75 -6.238 8.010 1.440 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.964 7.832 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.433 9.852 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.594 9.235 3.677 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.974 11.166 5.000 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.712 6.679 4.487 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.277 5.858 5.539 1.00 0.00 C ATOM 1186 C GLU A 76 -6.710 4.451 5.500 1.00 0.00 C ATOM 1187 O GLU A 76 -6.174 3.984 6.501 1.00 0.00 O ATOM 1188 CB GLU A 76 -8.792 5.806 5.320 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.444 7.140 5.659 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.264 7.610 7.104 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.129 7.282 7.947 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -8.356 8.429 7.384 1.00 0.00 O ATOM 0 H GLU A 76 -7.425 7.104 3.895 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.032 6.287 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.003 5.548 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.225 5.019 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.039 7.903 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.511 7.067 5.449 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.825 3.800 4.341 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.389 2.434 4.114 1.00 0.00 C ATOM 1201 C LEU A 77 -4.929 2.278 4.507 1.00 0.00 C ATOM 1202 O LEU A 77 -4.594 1.351 5.243 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.621 2.109 2.635 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.905 0.894 2.038 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.398 -0.448 2.579 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -6.000 0.899 0.516 1.00 0.00 C ATOM 0 H LEU A 77 -7.238 4.229 3.513 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.957 1.735 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.692 1.968 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.332 2.984 2.053 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.865 0.993 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.841 -1.257 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.245 -0.484 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.460 -0.561 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.484 0.026 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.048 0.870 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.536 1.805 0.125 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.076 3.181 4.017 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.659 3.195 4.289 1.00 0.00 C ATOM 1220 C LEU A 78 -2.404 3.391 5.791 1.00 0.00 C ATOM 1221 O LEU A 78 -1.594 2.677 6.378 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.983 4.344 3.509 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.721 4.085 2.017 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.810 5.184 1.462 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.109 2.718 1.705 1.00 0.00 C ATOM 0 H LEU A 78 -4.373 3.940 3.403 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.240 2.240 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.607 5.233 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.032 4.572 3.990 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.699 4.094 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.623 5.002 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.294 6.153 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.136 5.180 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.959 2.623 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.150 2.624 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.781 1.932 2.048 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.059 4.379 6.408 1.00 0.00 N ATOM 1238 CA PHE A 79 -2.881 4.758 7.810 1.00 0.00 C ATOM 1239 C PHE A 79 -3.219 3.573 8.711 1.00 0.00 C ATOM 1240 O PHE A 79 -2.467 3.236 9.627 1.00 0.00 O ATOM 1241 CB PHE A 79 -3.792 5.956 8.151 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.196 7.011 9.059 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.687 6.680 10.330 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -3.199 8.352 8.635 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.161 7.687 11.160 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -2.668 9.357 9.460 1.00 0.00 C ATOM 1247 CZ PHE A 79 -2.148 9.024 10.722 1.00 0.00 C ATOM 0 H PHE A 79 -3.750 4.955 5.928 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.843 5.046 7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.091 6.435 7.219 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.700 5.574 8.619 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.700 5.654 10.667 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.611 8.610 7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.767 7.434 12.133 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.659 10.384 9.125 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.738 9.795 11.357 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.369 2.961 8.442 1.00 0.00 N ATOM 1258 CA ASP A 80 -4.942 1.848 9.179 1.00 0.00 C ATOM 1259 C ASP A 80 -4.105 0.589 8.951 1.00 0.00 C ATOM 1260 O ASP A 80 -3.850 -0.175 9.874 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.390 1.678 8.720 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.196 0.720 9.590 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -6.906 -0.495 9.666 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.159 1.208 10.226 1.00 0.00 O ATOM 0 H ASP A 80 -4.956 3.248 7.659 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.936 2.037 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.879 2.652 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.397 1.316 7.692 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.547 0.395 7.759 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.589 -0.678 7.509 1.00 0.00 C ATOM 1271 C TRP A 81 -1.269 -0.439 8.267 1.00 0.00 C ATOM 1272 O TRP A 81 -0.618 -1.368 8.749 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.402 -0.786 6.003 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.639 -1.958 5.494 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.697 -3.233 5.944 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.724 -1.969 4.371 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.855 -4.023 5.186 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.221 -3.292 4.208 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.301 -0.982 3.457 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.718 -3.611 3.220 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.594 -1.309 2.429 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.121 -2.606 2.330 1.00 0.00 C ATOM 0 H TRP A 81 -3.745 0.974 6.943 1.00 0.00 H new ATOM 0 HA TRP A 81 -2.964 -1.629 7.888 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.389 -0.799 5.540 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -1.900 0.119 5.659 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.306 -3.578 6.766 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.720 -5.023 5.333 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.668 0.030 3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.123 -4.609 3.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.880 -0.558 1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 81 1.844 -2.832 1.560 1.00 0.00 H new ATOM 1293 N GLY A 82 -0.916 0.826 8.484 1.00 0.00 N ATOM 1294 CA GLY A 82 0.136 1.236 9.394 1.00 0.00 C ATOM 1295 C GLY A 82 -0.173 0.817 10.820 1.00 0.00 C ATOM 1296 O GLY A 82 0.669 0.238 11.507 1.00 0.00 O ATOM 0 H GLY A 82 -1.370 1.611 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.083 0.796 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.257 2.318 9.349 1.00 0.00 H new ATOM 1300 N THR A 83 -1.389 1.121 11.257 1.00 0.00 N ATOM 1301 CA THR A 83 -1.926 0.771 12.557 1.00 0.00 C ATOM 1302 C THR A 83 -1.959 -0.757 12.741 1.00 0.00 C ATOM 1303 O THR A 83 -1.702 -1.232 13.844 1.00 0.00 O ATOM 1304 CB THR A 83 -3.289 1.486 12.687 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.241 2.465 13.700 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.488 0.581 12.909 1.00 0.00 C ATOM 0 H THR A 83 -2.054 1.642 10.685 1.00 0.00 H new ATOM 0 HA THR A 83 -1.295 1.112 13.377 1.00 0.00 H new ATOM 0 HB THR A 83 -3.448 1.942 11.710 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.112 2.909 13.767 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.391 1.186 12.986 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.584 -0.109 12.070 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.351 0.015 13.830 1.00 0.00 H new ATOM 1314 N THR A 84 -2.191 -1.519 11.668 1.00 0.00 N ATOM 1315 CA THR A 84 -2.185 -2.966 11.576 1.00 0.00 C ATOM 1316 C THR A 84 -0.755 -3.534 11.663 1.00 0.00 C ATOM 1317 O THR A 84 -0.593 -4.724 11.917 1.00 0.00 O ATOM 1318 CB THR A 84 -2.881 -3.271 10.239 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.227 -2.828 10.253 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.893 -4.726 9.832 1.00 0.00 C ATOM 0 H THR A 84 -2.406 -1.092 10.767 1.00 0.00 H new ATOM 0 HA THR A 84 -2.707 -3.443 12.406 1.00 0.00 H new ATOM 0 HB THR A 84 -2.277 -2.731 9.510 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.252 -1.853 10.157 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.407 -4.832 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.868 -5.085 9.735 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.412 -5.312 10.590 1.00 0.00 H new ATOM 1328 N ASN A 85 0.277 -2.687 11.522 1.00 0.00 N ATOM 1329 CA ASN A 85 1.699 -2.918 11.814 1.00 0.00 C ATOM 1330 C ASN A 85 2.464 -3.358 10.559 1.00 0.00 C ATOM 1331 O ASN A 85 3.433 -4.121 10.667 1.00 0.00 O ATOM 1332 CB ASN A 85 1.976 -3.903 12.979 1.00 0.00 C ATOM 1333 CG ASN A 85 1.270 -3.653 14.304 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.296 -4.501 15.192 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.721 -2.481 14.549 1.00 0.00 N ATOM 0 H ASN A 85 0.124 -1.742 11.170 1.00 0.00 H new ATOM 0 HA ASN A 85 2.067 -1.949 12.150 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.709 -4.904 12.641 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.050 -3.906 13.167 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.324 -2.286 15.468 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.693 -1.768 13.820 1.00 0.00 H new ATOM 1342 N CYS A 86 2.044 -2.937 9.364 1.00 0.00 N ATOM 1343 CA CYS A 86 2.774 -3.236 8.133 1.00 0.00 C ATOM 1344 C CYS A 86 3.635 -2.033 7.700 1.00 0.00 C ATOM 1345 O CYS A 86 3.532 -0.934 8.270 1.00 0.00 O ATOM 1346 CB CYS A 86 1.781 -3.731 7.075 1.00 0.00 C ATOM 1347 SG CYS A 86 0.957 -5.258 7.644 1.00 0.00 S ATOM 0 H CYS A 86 1.198 -2.385 9.224 1.00 0.00 H new ATOM 0 HA CYS A 86 3.491 -4.042 8.290 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.036 -2.960 6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.303 -3.919 6.137 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.272 -5.271 7.221 1.00 0.00 H new ATOM 1353 N THR A 87 4.519 -2.260 6.725 1.00 0.00 N ATOM 1354 CA THR A 87 5.668 -1.411 6.439 1.00 0.00 C ATOM 1355 C THR A 87 5.648 -0.803 5.032 1.00 0.00 C ATOM 1356 O THR A 87 4.979 -1.309 4.127 1.00 0.00 O ATOM 1357 CB THR A 87 6.947 -2.243 6.652 1.00 0.00 C ATOM 1358 OG1 THR A 87 6.966 -3.391 5.819 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.133 -2.716 8.089 1.00 0.00 C ATOM 0 H THR A 87 4.449 -3.062 6.099 1.00 0.00 H new ATOM 0 HA THR A 87 5.635 -0.562 7.121 1.00 0.00 H new ATOM 0 HB THR A 87 7.761 -1.564 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.791 -3.896 5.977 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.053 -3.295 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.192 -1.852 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.287 -3.339 8.379 1.00 0.00 H new ATOM 1367 N VAL A 88 6.430 0.263 4.839 1.00 0.00 N ATOM 1368 CA VAL A 88 6.610 0.981 3.579 1.00 0.00 C ATOM 1369 C VAL A 88 7.124 0.020 2.500 1.00 0.00 C ATOM 1370 O VAL A 88 6.722 0.125 1.344 1.00 0.00 O ATOM 1371 CB VAL A 88 7.624 2.130 3.805 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.173 2.709 2.493 1.00 0.00 C ATOM 1373 CG2 VAL A 88 6.983 3.273 4.602 1.00 0.00 C ATOM 0 H VAL A 88 6.981 0.667 5.596 1.00 0.00 H new ATOM 0 HA VAL A 88 5.658 1.394 3.245 1.00 0.00 H new ATOM 0 HB VAL A 88 8.451 1.690 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.878 3.510 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.681 1.924 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.350 3.105 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.713 4.069 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.126 3.664 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.653 2.900 5.572 1.00 0.00 H new ATOM 1383 N GLY A 89 8.033 -0.886 2.863 1.00 0.00 N ATOM 1384 CA GLY A 89 8.594 -1.852 1.939 1.00 0.00 C ATOM 1385 C GLY A 89 7.499 -2.776 1.434 1.00 0.00 C ATOM 1386 O GLY A 89 7.446 -3.044 0.242 1.00 0.00 O ATOM 0 H GLY A 89 8.397 -0.964 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.064 -1.337 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.373 -2.432 2.433 1.00 0.00 H new ATOM 1390 N ASP A 90 6.586 -3.189 2.319 1.00 0.00 N ATOM 1391 CA ASP A 90 5.420 -4.000 1.946 1.00 0.00 C ATOM 1392 C ASP A 90 4.577 -3.238 0.921 1.00 0.00 C ATOM 1393 O ASP A 90 4.158 -3.793 -0.091 1.00 0.00 O ATOM 1394 CB ASP A 90 4.576 -4.329 3.190 1.00 0.00 C ATOM 1395 CG ASP A 90 3.986 -5.742 3.219 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.323 -6.175 2.250 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.143 -6.395 4.278 1.00 0.00 O ATOM 0 H ASP A 90 6.634 -2.971 3.314 1.00 0.00 H new ATOM 0 HA ASP A 90 5.762 -4.937 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.195 -4.192 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.760 -3.610 3.257 1.00 0.00 H new ATOM 1402 N LEU A 91 4.346 -1.940 1.172 1.00 0.00 N ATOM 1403 CA LEU A 91 3.608 -1.062 0.272 1.00 0.00 C ATOM 1404 C LEU A 91 4.258 -1.063 -1.104 1.00 0.00 C ATOM 1405 O LEU A 91 3.568 -1.372 -2.065 1.00 0.00 O ATOM 1406 CB LEU A 91 3.452 0.354 0.868 1.00 0.00 C ATOM 1407 CG LEU A 91 2.820 1.392 -0.079 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.457 0.983 -0.653 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.644 2.722 0.665 1.00 0.00 C ATOM 0 H LEU A 91 4.673 -1.472 2.017 1.00 0.00 H new ATOM 0 HA LEU A 91 2.594 -1.444 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.842 0.288 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.434 0.714 1.174 1.00 0.00 H new ATOM 0 HG LEU A 91 3.508 1.477 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.087 1.772 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.564 0.059 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.751 0.827 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.197 3.457 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.994 2.573 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.616 3.082 1.002 1.00 0.00 H new ATOM 1421 N VAL A 92 5.541 -0.731 -1.214 1.00 0.00 N ATOM 1422 CA VAL A 92 6.289 -0.764 -2.468 1.00 0.00 C ATOM 1423 C VAL A 92 6.115 -2.109 -3.170 1.00 0.00 C ATOM 1424 O VAL A 92 5.801 -2.132 -4.357 1.00 0.00 O ATOM 1425 CB VAL A 92 7.763 -0.457 -2.157 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.762 -1.017 -3.179 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.943 1.045 -1.949 1.00 0.00 C ATOM 0 H VAL A 92 6.101 -0.425 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 92 5.908 -0.010 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 92 8.003 -0.985 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.776 -0.752 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.668 -2.102 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.552 -0.595 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.989 1.259 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.647 1.576 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.322 1.374 -1.116 1.00 0.00 H new ATOM 1437 N ASP A 93 6.330 -3.203 -2.449 1.00 0.00 N ATOM 1438 CA ASP A 93 6.314 -4.566 -2.961 1.00 0.00 C ATOM 1439 C ASP A 93 4.986 -4.824 -3.682 1.00 0.00 C ATOM 1440 O ASP A 93 4.947 -5.194 -4.861 1.00 0.00 O ATOM 1441 CB ASP A 93 6.483 -5.524 -1.774 1.00 0.00 C ATOM 1442 CG ASP A 93 7.768 -6.344 -1.747 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.853 -5.820 -2.080 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.685 -7.499 -1.258 1.00 0.00 O ATOM 0 H ASP A 93 6.529 -3.162 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 93 7.124 -4.722 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.429 -4.942 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.638 -6.212 -1.766 1.00 0.00 H new ATOM 1449 N LEU A 94 3.873 -4.585 -2.980 1.00 0.00 N ATOM 1450 CA LEU A 94 2.526 -4.714 -3.512 1.00 0.00 C ATOM 1451 C LEU A 94 2.263 -3.684 -4.602 1.00 0.00 C ATOM 1452 O LEU A 94 1.499 -3.961 -5.520 1.00 0.00 O ATOM 1453 CB LEU A 94 1.503 -4.522 -2.386 1.00 0.00 C ATOM 1454 CG LEU A 94 1.537 -5.653 -1.345 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.101 -5.102 -0.001 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.584 -6.778 -1.716 1.00 0.00 C ATOM 0 H LEU A 94 3.892 -4.290 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 94 2.429 -5.711 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.693 -3.571 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.504 -4.462 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 94 2.554 -6.043 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.122 -5.898 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.779 -4.304 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.088 -4.707 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.633 -7.561 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.433 -6.390 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.868 -7.191 -2.684 1.00 0.00 H new ATOM 1468 N LEU A 95 2.785 -2.461 -4.479 1.00 0.00 N ATOM 1469 CA LEU A 95 2.599 -1.406 -5.484 1.00 0.00 C ATOM 1470 C LEU A 95 3.168 -1.856 -6.821 1.00 0.00 C ATOM 1471 O LEU A 95 2.496 -1.731 -7.843 1.00 0.00 O ATOM 1472 CB LEU A 95 3.215 -0.061 -5.070 1.00 0.00 C ATOM 1473 CG LEU A 95 2.401 0.757 -4.063 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.226 1.983 -3.660 1.00 0.00 C ATOM 1475 CD2 LEU A 95 1.058 1.221 -4.615 1.00 0.00 C ATOM 0 H LEU A 95 3.349 -2.172 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 95 1.525 -1.241 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.201 -0.249 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.363 0.542 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 95 2.188 0.113 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.664 2.580 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.163 1.658 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.440 2.584 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.530 1.795 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.222 1.847 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.460 0.353 -4.895 1.00 0.00 H new ATOM 1487 N VAL A 96 4.376 -2.411 -6.827 1.00 0.00 N ATOM 1488 CA VAL A 96 4.960 -2.988 -8.025 1.00 0.00 C ATOM 1489 C VAL A 96 4.073 -4.146 -8.513 1.00 0.00 C ATOM 1490 O VAL A 96 3.806 -4.228 -9.716 1.00 0.00 O ATOM 1491 CB VAL A 96 6.426 -3.376 -7.746 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.066 -4.033 -8.967 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.288 -2.147 -7.407 1.00 0.00 C ATOM 0 H VAL A 96 4.973 -2.472 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 96 4.993 -2.267 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 96 6.394 -4.065 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.099 -4.295 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.512 -4.935 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.044 -3.339 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.314 -2.463 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.272 -1.449 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.889 -1.657 -6.519 1.00 0.00 H new ATOM 1503 N GLN A 97 3.533 -4.981 -7.614 1.00 0.00 N ATOM 1504 CA GLN A 97 2.652 -6.093 -7.983 1.00 0.00 C ATOM 1505 C GLN A 97 1.356 -5.641 -8.677 1.00 0.00 C ATOM 1506 O GLN A 97 0.746 -6.422 -9.409 1.00 0.00 O ATOM 1507 CB GLN A 97 2.407 -7.020 -6.768 1.00 0.00 C ATOM 1508 CG GLN A 97 0.968 -7.158 -6.222 1.00 0.00 C ATOM 1509 CD GLN A 97 0.825 -8.475 -5.457 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.596 -8.720 -4.406 1.00 0.00 O flip ATOM 1511 NE2 GLN A 97 0.050 -9.338 -5.864 1.00 0.00 N flip ATOM 0 H GLN A 97 3.696 -4.903 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 97 3.170 -6.680 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.756 -8.017 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.039 -6.670 -5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.737 -6.319 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.253 -7.126 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.543 -9.150 -6.672 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.000 -10.242 -5.393 1.00 0.00 H new ATOM 1520 N ILE A 98 0.915 -4.399 -8.468 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.262 -3.827 -9.129 1.00 0.00 C ATOM 1522 C ILE A 98 0.142 -2.814 -10.208 1.00 0.00 C ATOM 1523 O ILE A 98 -0.711 -2.092 -10.731 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.270 -3.289 -8.096 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.691 -2.059 -7.391 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.685 -4.387 -7.089 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.719 -1.338 -6.539 1.00 0.00 C ATOM 0 H ILE A 98 1.372 -3.752 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.788 -4.618 -9.663 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.177 -2.985 -8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.146 -2.365 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.295 -1.370 -8.137 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.397 -3.975 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.148 -5.216 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.803 -4.745 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.255 -0.474 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.544 -1.005 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.097 -2.016 -5.773 1.00 0.00 H new ATOM 1539 N GLU A 99 1.438 -2.767 -10.548 1.00 0.00 N ATOM 1540 CA GLU A 99 2.023 -2.032 -11.669 1.00 0.00 C ATOM 1541 C GLU A 99 2.164 -0.531 -11.380 1.00 0.00 C ATOM 1542 O GLU A 99 2.500 0.271 -12.253 1.00 0.00 O ATOM 1543 CB GLU A 99 1.198 -2.330 -12.924 1.00 0.00 C ATOM 1544 CG GLU A 99 1.994 -2.248 -14.211 1.00 0.00 C ATOM 1545 CD GLU A 99 1.109 -2.765 -15.341 1.00 0.00 C ATOM 1546 OE1 GLU A 99 1.009 -4.004 -15.511 1.00 0.00 O ATOM 1547 OE2 GLU A 99 0.414 -1.944 -15.991 1.00 0.00 O ATOM 0 H GLU A 99 2.144 -3.273 -10.013 1.00 0.00 H new ATOM 0 HA GLU A 99 3.046 -2.371 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.768 -3.328 -12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.366 -1.627 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.300 -1.220 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.904 -2.843 -14.136 1.00 0.00 H new ATOM 1554 N LEU A 100 1.919 -0.138 -10.134 1.00 0.00 N ATOM 1555 CA LEU A 100 1.883 1.248 -9.665 1.00 0.00 C ATOM 1556 C LEU A 100 3.305 1.705 -9.344 1.00 0.00 C ATOM 1557 O LEU A 100 3.696 1.950 -8.198 1.00 0.00 O ATOM 1558 CB LEU A 100 0.915 1.411 -8.478 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.495 1.934 -8.821 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.443 3.376 -9.337 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.256 1.077 -9.838 1.00 0.00 C ATOM 0 H LEU A 100 1.731 -0.806 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 100 1.493 1.894 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.812 0.445 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.368 2.091 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.041 1.882 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.452 3.716 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.011 4.021 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.171 3.419 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.237 1.516 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.695 1.037 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.378 0.068 -9.445 1.00 0.00 H new ATOM 1573 N PHE A 101 4.106 1.806 -10.394 1.00 0.00 N ATOM 1574 CA PHE A 101 5.526 2.030 -10.270 1.00 0.00 C ATOM 1575 C PHE A 101 5.836 3.434 -9.754 1.00 0.00 C ATOM 1576 O PHE A 101 6.759 3.561 -8.960 1.00 0.00 O ATOM 1577 CB PHE A 101 6.220 1.756 -11.612 1.00 0.00 C ATOM 1578 CG PHE A 101 5.985 0.378 -12.219 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.922 -0.781 -11.415 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.838 0.255 -13.615 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.646 -2.030 -12.000 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.608 -1.003 -14.199 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.499 -2.145 -13.391 1.00 0.00 C ATOM 0 H PHE A 101 3.781 1.734 -11.358 1.00 0.00 H new ATOM 0 HA PHE A 101 5.918 1.333 -9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.890 2.508 -12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.293 1.893 -11.478 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.086 -0.708 -10.350 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.902 1.133 -14.241 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.547 -2.905 -11.375 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.515 -1.091 -15.271 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.303 -3.109 -13.838 1.00 0.00 H new ATOM 1593 N ALA A 102 5.094 4.479 -10.136 1.00 0.00 N ATOM 1594 CA ALA A 102 5.320 5.837 -9.634 1.00 0.00 C ATOM 1595 C ALA A 102 5.352 5.896 -8.094 1.00 0.00 C ATOM 1596 O ALA A 102 6.396 6.245 -7.537 1.00 0.00 O ATOM 1597 CB ALA A 102 4.305 6.816 -10.235 1.00 0.00 C ATOM 0 H ALA A 102 4.323 4.407 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 102 6.311 6.148 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.492 7.818 -9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.404 6.822 -11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.296 6.505 -9.965 1.00 0.00 H new ATOM 1603 N PRO A 103 4.272 5.546 -7.368 1.00 0.00 N ATOM 1604 CA PRO A 103 4.273 5.609 -5.912 1.00 0.00 C ATOM 1605 C PRO A 103 5.275 4.632 -5.270 1.00 0.00 C ATOM 1606 O PRO A 103 5.813 4.961 -4.213 1.00 0.00 O ATOM 1607 CB PRO A 103 2.833 5.346 -5.474 1.00 0.00 C ATOM 1608 CG PRO A 103 2.215 4.624 -6.661 1.00 0.00 C ATOM 1609 CD PRO A 103 2.957 5.180 -7.861 1.00 0.00 C ATOM 0 HA PRO A 103 4.610 6.588 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.795 4.736 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.307 6.275 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.341 3.544 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.144 4.816 -6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.029 4.438 -8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.439 6.044 -8.277 1.00 0.00 H new ATOM 1617 N ALA A 104 5.563 3.481 -5.899 1.00 0.00 N ATOM 1618 CA ALA A 104 6.617 2.560 -5.467 1.00 0.00 C ATOM 1619 C ALA A 104 7.952 3.314 -5.496 1.00 0.00 C ATOM 1620 O ALA A 104 8.633 3.400 -4.480 1.00 0.00 O ATOM 1621 CB ALA A 104 6.637 1.332 -6.392 1.00 0.00 C ATOM 0 H ALA A 104 5.063 3.164 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 104 6.435 2.204 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.421 0.647 -6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.672 0.826 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.831 1.651 -7.416 1.00 0.00 H new ATOM 1627 N THR A 105 8.291 3.935 -6.628 1.00 0.00 N ATOM 1628 CA THR A 105 9.550 4.632 -6.829 1.00 0.00 C ATOM 1629 C THR A 105 9.687 5.810 -5.858 1.00 0.00 C ATOM 1630 O THR A 105 10.792 6.135 -5.426 1.00 0.00 O ATOM 1631 CB THR A 105 9.602 5.180 -8.263 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.263 4.244 -9.254 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.957 5.750 -8.662 1.00 0.00 C ATOM 0 H THR A 105 7.680 3.964 -7.444 1.00 0.00 H new ATOM 0 HA THR A 105 10.362 3.927 -6.652 1.00 0.00 H new ATOM 0 HB THR A 105 8.853 5.971 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.292 4.242 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.910 6.116 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A 105 11.217 6.572 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.715 4.970 -8.589 1.00 0.00 H new ATOM 1641 N LEU A 106 8.578 6.486 -5.533 1.00 0.00 N ATOM 1642 CA LEU A 106 8.603 7.656 -4.666 1.00 0.00 C ATOM 1643 C LEU A 106 9.103 7.269 -3.273 1.00 0.00 C ATOM 1644 O LEU A 106 9.793 8.050 -2.608 1.00 0.00 O ATOM 1645 CB LEU A 106 7.178 8.236 -4.596 1.00 0.00 C ATOM 1646 CG LEU A 106 6.996 9.325 -3.520 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.861 10.553 -3.803 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.529 9.748 -3.445 1.00 0.00 C ATOM 0 H LEU A 106 7.647 6.234 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 106 9.284 8.408 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.919 8.654 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.476 7.425 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 106 7.311 8.898 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.704 11.297 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.911 10.262 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.586 10.977 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.411 10.517 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.214 10.143 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.914 8.885 -3.188 1.00 0.00 H new ATOM 1660 N LEU A 107 8.700 6.082 -2.823 1.00 0.00 N ATOM 1661 CA LEU A 107 9.044 5.535 -1.526 1.00 0.00 C ATOM 1662 C LEU A 107 10.414 4.877 -1.600 1.00 0.00 C ATOM 1663 O LEU A 107 11.251 5.158 -0.748 1.00 0.00 O ATOM 1664 CB LEU A 107 7.974 4.518 -1.109 1.00 0.00 C ATOM 1665 CG LEU A 107 6.606 5.160 -0.816 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.530 4.075 -0.822 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.595 5.914 0.522 1.00 0.00 C ATOM 0 H LEU A 107 8.107 5.461 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 107 9.082 6.330 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.858 3.778 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.315 3.985 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 107 6.402 5.893 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.559 4.525 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.506 3.592 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.757 3.333 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.610 6.350 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.825 5.221 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.343 6.706 0.499 1.00 0.00 H new ATOM 1679 N LEU A 108 10.650 4.017 -2.595 1.00 0.00 N ATOM 1680 CA LEU A 108 11.868 3.229 -2.701 1.00 0.00 C ATOM 1681 C LEU A 108 12.243 3.058 -4.183 1.00 0.00 C ATOM 1682 O LEU A 108 11.888 2.059 -4.809 1.00 0.00 O ATOM 1683 CB LEU A 108 11.685 1.911 -1.928 1.00 0.00 C ATOM 1684 CG LEU A 108 12.923 1.464 -1.143 1.00 0.00 C ATOM 1685 CD1 LEU A 108 13.241 2.435 0.003 1.00 0.00 C ATOM 1686 CD2 LEU A 108 12.633 0.101 -0.508 1.00 0.00 C ATOM 0 H LEU A 108 9.990 3.851 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 108 12.715 3.736 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.851 2.022 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.412 1.125 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 108 13.765 1.428 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.124 2.088 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.430 3.428 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.395 2.479 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.505 -0.231 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.779 0.187 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.408 -0.624 -1.290 1.00 0.00 H new ATOM 1698 N PRO A 109 12.964 4.028 -4.770 1.00 0.00 N ATOM 1699 CA PRO A 109 13.275 4.052 -6.194 1.00 0.00 C ATOM 1700 C PRO A 109 14.191 2.885 -6.588 1.00 0.00 C ATOM 1701 O PRO A 109 14.174 2.469 -7.741 1.00 0.00 O ATOM 1702 CB PRO A 109 13.926 5.414 -6.463 1.00 0.00 C ATOM 1703 CG PRO A 109 14.399 5.911 -5.101 1.00 0.00 C ATOM 1704 CD PRO A 109 13.516 5.181 -4.093 1.00 0.00 C ATOM 0 HA PRO A 109 12.377 3.928 -6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.760 5.321 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.214 6.109 -6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.453 5.684 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.289 6.992 -5.014 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.096 4.876 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.721 5.834 -3.733 1.00 0.00 H new ATOM 1712 N ASP A 110 14.957 2.325 -5.644 1.00 0.00 N ATOM 1713 CA ASP A 110 15.843 1.182 -5.881 1.00 0.00 C ATOM 1714 C ASP A 110 15.073 -0.116 -6.098 1.00 0.00 C ATOM 1715 O ASP A 110 15.612 -1.035 -6.716 1.00 0.00 O ATOM 1716 CB ASP A 110 16.779 0.956 -4.675 1.00 0.00 C ATOM 1717 CG ASP A 110 18.086 1.734 -4.760 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.642 1.899 -5.868 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.533 2.266 -3.716 1.00 0.00 O ATOM 0 H ASP A 110 14.978 2.659 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 110 16.408 1.427 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.256 1.240 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.004 -0.108 -4.595 1.00 0.00 H new ATOM 1724 N ALA A 111 13.867 -0.232 -5.533 1.00 0.00 N ATOM 1725 CA ALA A 111 13.162 -1.502 -5.438 1.00 0.00 C ATOM 1726 C ALA A 111 12.531 -1.882 -6.770 1.00 0.00 C ATOM 1727 O ALA A 111 12.645 -3.024 -7.206 1.00 0.00 O ATOM 1728 CB ALA A 111 12.085 -1.404 -4.360 1.00 0.00 C ATOM 0 H ALA A 111 13.357 0.555 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 111 13.880 -2.278 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.556 -2.354 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.550 -1.173 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.380 -0.615 -4.621 1.00 0.00 H new ATOM 1734 N VAL A 112 11.840 -0.939 -7.406 1.00 0.00 N ATOM 1735 CA VAL A 112 11.194 -1.185 -8.683 1.00 0.00 C ATOM 1736 C VAL A 112 12.288 -1.509 -9.724 1.00 0.00 C ATOM 1737 O VAL A 112 13.262 -0.752 -9.834 1.00 0.00 O ATOM 1738 CB VAL A 112 10.289 0.008 -9.029 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.035 1.345 -9.127 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.487 -0.254 -10.310 1.00 0.00 C ATOM 0 H VAL A 112 11.715 0.009 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 112 10.531 -2.050 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 112 9.601 0.102 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.329 2.138 -9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.511 1.567 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.796 1.281 -9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.857 0.608 -10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.173 -0.421 -11.141 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.861 -1.136 -10.173 1.00 0.00 H new ATOM 1750 N PRO A 113 12.173 -2.618 -10.479 1.00 0.00 N ATOM 1751 CA PRO A 113 13.157 -3.013 -11.477 1.00 0.00 C ATOM 1752 C PRO A 113 13.032 -2.139 -12.732 1.00 0.00 C ATOM 1753 O PRO A 113 12.530 -2.559 -13.778 1.00 0.00 O ATOM 1754 CB PRO A 113 12.907 -4.503 -11.729 1.00 0.00 C ATOM 1755 CG PRO A 113 11.412 -4.638 -11.490 1.00 0.00 C ATOM 1756 CD PRO A 113 11.155 -3.649 -10.354 1.00 0.00 C ATOM 0 HA PRO A 113 14.185 -2.866 -11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 113 13.183 -4.794 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.484 -5.131 -11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.837 -4.387 -12.381 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.138 -5.655 -11.209 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.155 -3.221 -10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.218 -4.144 -9.385 1.00 0.00 H new ATOM 1764 N GLN A 114 13.506 -0.901 -12.631 1.00 0.00 N ATOM 1765 CA GLN A 114 13.928 -0.102 -13.767 1.00 0.00 C ATOM 1766 C GLN A 114 15.448 -0.246 -13.881 1.00 0.00 C ATOM 1767 O GLN A 114 16.113 -0.731 -12.959 1.00 0.00 O ATOM 1768 CB GLN A 114 13.518 1.371 -13.585 1.00 0.00 C ATOM 1769 CG GLN A 114 12.029 1.548 -13.247 1.00 0.00 C ATOM 1770 CD GLN A 114 11.596 3.008 -13.365 1.00 0.00 C ATOM 1771 OE1 GLN A 114 12.031 3.871 -12.604 1.00 0.00 O ATOM 1772 NE2 GLN A 114 10.743 3.329 -14.324 1.00 0.00 N ATOM 0 H GLN A 114 13.608 -0.419 -11.738 1.00 0.00 H new ATOM 0 HA GLN A 114 13.446 -0.447 -14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 114 14.119 1.813 -12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 114 13.744 1.920 -14.499 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.428 0.934 -13.917 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.840 1.193 -12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.386 2.608 -14.952 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.442 4.297 -14.436 1.00 0.00 H new ATOM 1781 N THR A 115 16.013 0.178 -15.005 1.00 0.00 N ATOM 1782 CA THR A 115 17.452 0.299 -15.149 1.00 0.00 C ATOM 1783 C THR A 115 17.932 1.438 -14.237 1.00 0.00 C ATOM 1784 O THR A 115 17.180 2.372 -13.933 1.00 0.00 O ATOM 1785 CB THR A 115 17.785 0.517 -16.638 1.00 0.00 C ATOM 1786 OG1 THR A 115 19.110 0.125 -16.948 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.584 1.968 -17.089 1.00 0.00 C ATOM 0 H THR A 115 15.486 0.446 -15.837 1.00 0.00 H new ATOM 0 HA THR A 115 17.976 -0.606 -14.840 1.00 0.00 H new ATOM 0 HB THR A 115 17.081 -0.115 -17.180 1.00 0.00 H new ATOM 0 HG1 THR A 115 19.282 0.277 -17.901 1.00 0.00 H new ATOM 0 HG21 THR A 115 17.834 2.058 -18.146 1.00 0.00 H new ATOM 0 HG22 THR A 115 16.544 2.256 -16.937 1.00 0.00 H new ATOM 0 HG23 THR A 115 18.231 2.623 -16.506 1.00 0.00 H new ATOM 1795 N VAL A 116 19.218 1.426 -13.907 1.00 0.00 N ATOM 1796 CA VAL A 116 19.915 2.521 -13.246 1.00 0.00 C ATOM 1797 C VAL A 116 21.021 2.998 -14.188 1.00 0.00 C ATOM 1798 O VAL A 116 21.498 2.239 -15.044 1.00 0.00 O ATOM 1799 CB VAL A 116 20.411 2.081 -11.852 1.00 0.00 C ATOM 1800 CG1 VAL A 116 19.243 2.034 -10.855 1.00 0.00 C ATOM 1801 CG2 VAL A 116 21.099 0.706 -11.861 1.00 0.00 C ATOM 0 H VAL A 116 19.823 0.628 -14.099 1.00 0.00 H new ATOM 0 HA VAL A 116 19.255 3.366 -13.052 1.00 0.00 H new ATOM 0 HB VAL A 116 21.148 2.825 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.611 1.722 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 116 18.793 3.024 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 116 18.495 1.323 -11.205 1.00 0.00 H new ATOM 0 HG21 VAL A 116 21.424 0.455 -10.851 1.00 0.00 H new ATOM 0 HG22 VAL A 116 20.397 -0.050 -12.214 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.964 0.736 -12.524 1.00 0.00 H new ATOM 1811 N LYS A 117 21.405 4.268 -14.086 1.00 0.00 N ATOM 1812 CA LYS A 117 22.443 4.848 -14.932 1.00 0.00 C ATOM 1813 C LYS A 117 23.796 4.340 -14.461 1.00 0.00 C ATOM 1814 O LYS A 117 24.012 4.126 -13.269 1.00 0.00 O ATOM 1815 CB LYS A 117 22.407 6.382 -14.875 1.00 0.00 C ATOM 1816 CG LYS A 117 21.438 7.028 -15.878 1.00 0.00 C ATOM 1817 CD LYS A 117 20.002 6.483 -15.825 1.00 0.00 C ATOM 1818 CE LYS A 117 19.025 7.541 -16.335 1.00 0.00 C ATOM 1819 NZ LYS A 117 17.633 7.052 -16.333 1.00 0.00 N ATOM 0 H LYS A 117 21.005 4.923 -13.414 1.00 0.00 H new ATOM 0 HA LYS A 117 22.270 4.550 -15.966 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.128 6.690 -13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.411 6.765 -15.059 1.00 0.00 H new ATOM 0 HG2 LYS A 117 21.411 8.102 -15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.830 6.885 -16.885 1.00 0.00 H new ATOM 0 HD2 LYS A 117 19.924 5.581 -16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 117 19.747 6.203 -14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 117 19.097 8.432 -15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.305 7.836 -17.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 17.002 7.800 -16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 17.558 6.217 -16.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 17.357 6.795 -15.364 1.00 0.00 H new ATOM 1833 N SER A 118 24.703 4.153 -15.411 1.00 0.00 N ATOM 1834 CA SER A 118 26.116 4.025 -15.126 1.00 0.00 C ATOM 1835 C SER A 118 26.642 5.421 -14.774 1.00 0.00 C ATOM 1836 O SER A 118 26.089 6.418 -15.245 1.00 0.00 O ATOM 1837 CB SER A 118 26.799 3.459 -16.376 1.00 0.00 C ATOM 1838 OG SER A 118 27.935 2.683 -16.061 1.00 0.00 O ATOM 0 H SER A 118 24.473 4.086 -16.402 1.00 0.00 H new ATOM 0 HA SER A 118 26.316 3.353 -14.291 1.00 0.00 H new ATOM 0 HB2 SER A 118 26.087 2.848 -16.931 1.00 0.00 H new ATOM 0 HB3 SER A 118 27.093 4.280 -17.030 1.00 0.00 H new ATOM 0 HG SER A 118 28.337 2.341 -16.887 1.00 0.00 H new ATOM 1844 N LEU A 119 27.761 5.460 -14.043 1.00 0.00 N ATOM 1845 CA LEU A 119 28.455 6.646 -13.524 1.00 0.00 C ATOM 1846 C LEU A 119 27.650 7.330 -12.398 1.00 0.00 C ATOM 1847 O LEU A 119 26.439 7.115 -12.271 1.00 0.00 O ATOM 1848 CB LEU A 119 28.850 7.647 -14.643 1.00 0.00 C ATOM 1849 CG LEU A 119 30.040 7.223 -15.528 1.00 0.00 C ATOM 1850 CD1 LEU A 119 29.701 6.088 -16.506 1.00 0.00 C ATOM 1851 CD2 LEU A 119 30.526 8.430 -16.340 1.00 0.00 C ATOM 0 H LEU A 119 28.242 4.600 -13.778 1.00 0.00 H new ATOM 0 HA LEU A 119 29.389 6.292 -13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 119 27.983 7.808 -15.284 1.00 0.00 H new ATOM 0 HB3 LEU A 119 29.087 8.605 -14.181 1.00 0.00 H new ATOM 0 HG LEU A 119 30.811 6.854 -14.852 1.00 0.00 H new ATOM 0 HD11 LEU A 119 30.583 5.841 -17.096 1.00 0.00 H new ATOM 0 HD12 LEU A 119 29.381 5.209 -15.946 1.00 0.00 H new ATOM 0 HD13 LEU A 119 28.898 6.408 -17.170 1.00 0.00 H new ATOM 0 HD21 LEU A 119 31.367 8.132 -16.966 1.00 0.00 H new ATOM 0 HD22 LEU A 119 29.715 8.795 -16.971 1.00 0.00 H new ATOM 0 HD23 LEU A 119 30.842 9.222 -15.661 1.00 0.00 H new ATOM 1863 N PRO A 120 28.307 8.146 -11.552 1.00 0.00 N ATOM 1864 CA PRO A 120 27.618 8.929 -10.533 1.00 0.00 C ATOM 1865 C PRO A 120 26.777 10.059 -11.163 1.00 0.00 C ATOM 1866 O PRO A 120 26.850 10.311 -12.370 1.00 0.00 O ATOM 1867 CB PRO A 120 28.726 9.458 -9.610 1.00 0.00 C ATOM 1868 CG PRO A 120 29.949 9.525 -10.519 1.00 0.00 C ATOM 1869 CD PRO A 120 29.752 8.312 -11.424 1.00 0.00 C ATOM 0 HA PRO A 120 26.899 8.331 -9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 120 28.475 10.437 -9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 120 28.893 8.794 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 120 29.982 10.455 -11.087 1.00 0.00 H new ATOM 0 HG3 PRO A 120 30.879 9.463 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 120 30.216 8.470 -12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 120 30.212 7.423 -10.993 1.00 0.00 H new ATOM 1877 N PRO A 121 25.957 10.759 -10.362 1.00 0.00 N ATOM 1878 CA PRO A 121 25.377 12.038 -10.746 1.00 0.00 C ATOM 1879 C PRO A 121 26.470 13.112 -10.848 1.00 0.00 C ATOM 1880 O PRO A 121 27.631 12.874 -10.515 1.00 0.00 O ATOM 1881 CB PRO A 121 24.362 12.387 -9.644 1.00 0.00 C ATOM 1882 CG PRO A 121 24.267 11.123 -8.790 1.00 0.00 C ATOM 1883 CD PRO A 121 25.630 10.476 -8.980 1.00 0.00 C ATOM 0 HA PRO A 121 24.896 11.987 -11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 121 24.696 13.240 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 121 23.393 12.653 -10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 121 24.074 11.357 -7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 121 23.461 10.470 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 121 26.371 10.896 -8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 121 25.594 9.403 -8.789 1.00 0.00 H new ATOM 1891 N SER A 122 26.062 14.331 -11.203 1.00 0.00 N ATOM 1892 CA SER A 122 26.837 15.553 -11.022 1.00 0.00 C ATOM 1893 C SER A 122 27.378 15.622 -9.588 1.00 0.00 C ATOM 1894 O SER A 122 28.587 15.662 -9.360 1.00 0.00 O ATOM 1895 CB SER A 122 25.911 16.741 -11.337 1.00 0.00 C ATOM 1896 OG SER A 122 24.638 16.542 -10.729 1.00 0.00 O ATOM 0 H SER A 122 25.154 14.497 -11.638 1.00 0.00 H new ATOM 0 HA SER A 122 27.698 15.576 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 122 26.357 17.666 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 122 25.795 16.846 -12.416 1.00 0.00 H new ATOM 0 HG SER A 122 24.055 17.303 -10.933 1.00 0.00 H new ATOM 1902 N GLY A 123 26.469 15.599 -8.614 1.00 0.00 N ATOM 1903 CA GLY A 123 26.774 15.636 -7.197 1.00 0.00 C ATOM 1904 C GLY A 123 25.544 16.104 -6.436 1.00 0.00 C ATOM 1905 O GLY A 123 25.272 17.307 -6.470 1.00 0.00 O ATOM 0 H GLY A 123 25.468 15.552 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 123 27.077 14.647 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 123 27.611 16.309 -7.010 1.00 0.00 H new ATOM 1909 N PRO A 124 24.758 15.208 -5.814 1.00 0.00 N ATOM 1910 CA PRO A 124 23.632 15.590 -4.979 1.00 0.00 C ATOM 1911 C PRO A 124 24.162 16.160 -3.653 1.00 0.00 C ATOM 1912 O PRO A 124 24.312 15.436 -2.659 1.00 0.00 O ATOM 1913 CB PRO A 124 22.788 14.319 -4.835 1.00 0.00 C ATOM 1914 CG PRO A 124 23.790 13.176 -4.975 1.00 0.00 C ATOM 1915 CD PRO A 124 24.935 13.764 -5.801 1.00 0.00 C ATOM 0 HA PRO A 124 23.009 16.380 -5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 124 22.281 14.286 -3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.016 14.266 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 124 24.139 12.834 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 124 23.343 12.316 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 124 25.899 13.498 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 124 24.922 13.366 -6.815 1.00 0.00 H new ATOM 1923 N SER A 125 24.447 17.461 -3.656 1.00 0.00 N ATOM 1924 CA SER A 125 24.700 18.261 -2.469 1.00 0.00 C ATOM 1925 C SER A 125 23.550 19.247 -2.318 1.00 0.00 C ATOM 1926 O SER A 125 23.034 19.745 -3.323 1.00 0.00 O ATOM 1927 CB SER A 125 26.021 19.028 -2.593 1.00 0.00 C ATOM 1928 OG SER A 125 27.117 18.154 -2.819 1.00 0.00 O ATOM 0 H SER A 125 24.509 18.002 -4.518 1.00 0.00 H new ATOM 0 HA SER A 125 24.774 17.609 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 125 25.951 19.743 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 125 26.195 19.602 -1.683 1.00 0.00 H new ATOM 0 HG SER A 125 27.942 18.677 -2.895 1.00 0.00 H new ATOM 1934 N SER A 126 23.217 19.589 -1.078 1.00 0.00 N ATOM 1935 CA SER A 126 22.296 20.655 -0.745 1.00 0.00 C ATOM 1936 C SER A 126 23.015 21.485 0.322 1.00 0.00 C ATOM 1937 O SER A 126 23.730 22.423 -0.037 1.00 0.00 O ATOM 1938 CB SER A 126 20.925 20.060 -0.379 1.00 0.00 C ATOM 1939 OG SER A 126 19.916 21.048 -0.436 1.00 0.00 O ATOM 0 H SER A 126 23.595 19.115 -0.258 1.00 0.00 H new ATOM 0 HA SER A 126 22.046 21.330 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 126 20.683 19.247 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 126 20.965 19.633 0.623 1.00 0.00 H new ATOM 0 HG SER A 126 19.053 20.648 -0.202 1.00 0.00 H new ATOM 1945 N GLY A 127 22.939 21.089 1.591 1.00 0.00 N ATOM 1946 CA GLY A 127 23.840 21.518 2.644 1.00 0.00 C ATOM 1947 C GLY A 127 24.144 20.263 3.414 1.00 0.00 C ATOM 1948 O GLY A 127 23.216 19.752 4.076 1.00 0.00 O ATOM 0 H GLY A 127 22.224 20.440 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.747 21.962 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 127 23.376 22.272 3.280 1.00 0.00 H new TER 1952 GLY A 127