USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00545 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0865 X(o=-0.086,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00551) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.144) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.751! C(o=-0.75!,f=-4.4!) USER MOD Single : A 27 GLN : amide:sc= -4.5! C(o=-4.5!,f=-5.6!) USER MOD Single : A 29 SER OG : rot -84:sc= -0.623! USER MOD Single : A 32 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 33 SER OG : rot 41:sc= 1.19 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 42 ASN : amide:sc= 0.363 K(o=0.36,f=-0.26) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.702 USER MOD Single : A 49 LYS NZ :NH3+ -114:sc= 0.401 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 81:sc= 0.729 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0122 (180deg=-0.146) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00504) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0125 K(o=0.013,f=-0.67) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -60:sc= 0.0677 USER MOD Single : A 88 SER OG : rot 23:sc= 0.00147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.255 -9.575 33.805 1.00 0.00 N ATOM 2 CA GLY A 1 19.650 -10.742 33.038 1.00 0.00 C ATOM 3 C GLY A 1 18.572 -11.194 32.074 1.00 0.00 C ATOM 4 O GLY A 1 17.983 -10.379 31.364 1.00 0.00 O ATOM 0 H1 GLY A 1 20.026 -9.306 34.449 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.053 -8.786 33.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.403 -9.796 34.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.560 -10.516 32.481 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.888 -11.558 33.720 1.00 0.00 H new ATOM 8 N SER A 2 18.314 -12.498 32.046 1.00 0.00 N ATOM 9 CA SER A 2 17.303 -13.058 31.157 1.00 0.00 C ATOM 10 C SER A 2 17.576 -12.665 29.708 1.00 0.00 C ATOM 11 O SER A 2 16.660 -12.304 28.969 1.00 0.00 O ATOM 12 CB SER A 2 15.909 -12.584 31.572 1.00 0.00 C ATOM 13 OG SER A 2 14.912 -13.499 31.151 1.00 0.00 O ATOM 0 H SER A 2 18.791 -13.186 32.629 1.00 0.00 H new ATOM 0 HA SER A 2 17.348 -14.144 31.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.868 -12.470 32.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.712 -11.603 31.140 1.00 0.00 H new ATOM 0 HG SER A 2 14.031 -13.174 31.430 1.00 0.00 H new ATOM 19 N SER A 3 18.842 -12.738 29.310 1.00 0.00 N ATOM 20 CA SER A 3 19.237 -12.387 27.951 1.00 0.00 C ATOM 21 C SER A 3 19.730 -13.616 27.194 1.00 0.00 C ATOM 22 O SER A 3 20.270 -14.549 27.787 1.00 0.00 O ATOM 23 CB SER A 3 20.331 -11.317 27.977 1.00 0.00 C ATOM 24 OG SER A 3 19.788 -10.040 28.265 1.00 0.00 O ATOM 0 H SER A 3 19.611 -13.037 29.909 1.00 0.00 H new ATOM 0 HA SER A 3 18.362 -11.991 27.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.079 -11.575 28.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.841 -11.290 27.014 1.00 0.00 H new ATOM 0 HG SER A 3 20.507 -9.374 28.278 1.00 0.00 H new ATOM 30 N GLY A 4 19.539 -13.609 25.878 1.00 0.00 N ATOM 31 CA GLY A 4 19.969 -14.727 25.060 1.00 0.00 C ATOM 32 C GLY A 4 20.462 -14.292 23.694 1.00 0.00 C ATOM 33 O GLY A 4 19.984 -13.301 23.141 1.00 0.00 O ATOM 0 H GLY A 4 19.094 -12.848 25.364 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.765 -15.265 25.575 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.140 -15.424 24.938 1.00 0.00 H new ATOM 37 N SER A 5 21.423 -15.031 23.150 1.00 0.00 N ATOM 38 CA SER A 5 21.985 -14.712 21.843 1.00 0.00 C ATOM 39 C SER A 5 21.475 -15.682 20.781 1.00 0.00 C ATOM 40 O SER A 5 22.114 -16.693 20.489 1.00 0.00 O ATOM 41 CB SER A 5 23.513 -14.756 21.897 1.00 0.00 C ATOM 42 OG SER A 5 24.079 -14.335 20.668 1.00 0.00 O ATOM 0 H SER A 5 21.829 -15.855 23.594 1.00 0.00 H new ATOM 0 HA SER A 5 21.666 -13.705 21.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.870 -14.116 22.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.843 -15.770 22.125 1.00 0.00 H new ATOM 0 HG SER A 5 25.056 -14.371 20.729 1.00 0.00 H new ATOM 48 N SER A 6 20.319 -15.365 20.206 1.00 0.00 N ATOM 49 CA SER A 6 19.720 -16.209 19.179 1.00 0.00 C ATOM 50 C SER A 6 19.276 -15.375 17.981 1.00 0.00 C ATOM 51 O SER A 6 18.593 -14.363 18.134 1.00 0.00 O ATOM 52 CB SER A 6 18.526 -16.976 19.751 1.00 0.00 C ATOM 53 OG SER A 6 17.385 -16.142 19.850 1.00 0.00 O ATOM 0 H SER A 6 19.779 -14.530 20.434 1.00 0.00 H new ATOM 0 HA SER A 6 20.474 -16.922 18.845 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.301 -17.832 19.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.780 -17.369 20.736 1.00 0.00 H new ATOM 0 HG SER A 6 16.635 -16.656 20.216 1.00 0.00 H new ATOM 59 N GLY A 7 19.669 -15.808 16.787 1.00 0.00 N ATOM 60 CA GLY A 7 19.304 -15.091 15.580 1.00 0.00 C ATOM 61 C GLY A 7 20.293 -15.310 14.453 1.00 0.00 C ATOM 62 O GLY A 7 21.194 -14.503 14.223 1.00 0.00 O ATOM 0 H GLY A 7 20.234 -16.643 16.634 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.313 -15.411 15.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.239 -14.025 15.800 1.00 0.00 H new ATOM 66 N PRO A 8 20.131 -16.426 13.727 1.00 0.00 N ATOM 67 CA PRO A 8 21.009 -16.776 12.606 1.00 0.00 C ATOM 68 C PRO A 8 20.817 -15.852 11.409 1.00 0.00 C ATOM 69 O PRO A 8 21.761 -15.572 10.670 1.00 0.00 O ATOM 70 CB PRO A 8 20.584 -18.204 12.254 1.00 0.00 C ATOM 71 CG PRO A 8 19.173 -18.304 12.722 1.00 0.00 C ATOM 72 CD PRO A 8 19.079 -17.433 13.944 1.00 0.00 C ATOM 0 HA PRO A 8 22.063 -16.684 12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.660 -18.387 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.218 -18.939 12.749 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.481 -17.968 11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.912 -19.336 12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.095 -16.973 14.035 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.250 -18.002 14.858 1.00 0.00 H new ATOM 80 N ASP A 9 19.588 -15.381 11.222 1.00 0.00 N ATOM 81 CA ASP A 9 19.272 -14.487 10.114 1.00 0.00 C ATOM 82 C ASP A 9 18.885 -13.103 10.627 1.00 0.00 C ATOM 83 O ASP A 9 18.153 -12.367 9.965 1.00 0.00 O ATOM 84 CB ASP A 9 18.137 -15.068 9.270 1.00 0.00 C ATOM 85 CG ASP A 9 16.916 -15.412 10.100 1.00 0.00 C ATOM 86 OD1 ASP A 9 16.996 -16.361 10.907 1.00 0.00 O ATOM 87 OD2 ASP A 9 15.880 -14.732 9.942 1.00 0.00 O ATOM 0 H ASP A 9 18.795 -15.604 11.823 1.00 0.00 H new ATOM 0 HA ASP A 9 20.162 -14.389 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.858 -14.350 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.490 -15.964 8.759 1.00 0.00 H new ATOM 92 N PHE A 10 19.381 -12.756 11.810 1.00 0.00 N ATOM 93 CA PHE A 10 19.086 -11.461 12.412 1.00 0.00 C ATOM 94 C PHE A 10 19.016 -10.369 11.348 1.00 0.00 C ATOM 95 O PHE A 10 17.974 -9.744 11.150 1.00 0.00 O ATOM 96 CB PHE A 10 20.148 -11.106 13.455 1.00 0.00 C ATOM 97 CG PHE A 10 19.935 -9.763 14.093 1.00 0.00 C ATOM 98 CD1 PHE A 10 19.082 -9.623 15.176 1.00 0.00 C ATOM 99 CD2 PHE A 10 20.589 -8.641 13.610 1.00 0.00 C ATOM 100 CE1 PHE A 10 18.884 -8.389 15.766 1.00 0.00 C ATOM 101 CE2 PHE A 10 20.395 -7.404 14.197 1.00 0.00 C ATOM 102 CZ PHE A 10 19.541 -7.278 15.275 1.00 0.00 C ATOM 0 H PHE A 10 19.989 -13.353 12.371 1.00 0.00 H new ATOM 0 HA PHE A 10 18.114 -11.529 12.901 1.00 0.00 H new ATOM 0 HB2 PHE A 10 20.154 -11.871 14.231 1.00 0.00 H new ATOM 0 HB3 PHE A 10 21.130 -11.123 12.983 1.00 0.00 H new ATOM 0 HD1 PHE A 10 18.566 -10.489 15.564 1.00 0.00 H new ATOM 0 HD2 PHE A 10 21.257 -8.733 12.766 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.217 -8.294 16.610 1.00 0.00 H new ATOM 0 HE2 PHE A 10 20.911 -6.537 13.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.387 -6.312 15.733 1.00 0.00 H new ATOM 112 N THR A 11 20.135 -10.145 10.665 1.00 0.00 N ATOM 113 CA THR A 11 20.203 -9.128 9.623 1.00 0.00 C ATOM 114 C THR A 11 19.214 -9.424 8.501 1.00 0.00 C ATOM 115 O THR A 11 18.923 -10.578 8.186 1.00 0.00 O ATOM 116 CB THR A 11 21.620 -9.027 9.029 1.00 0.00 C ATOM 117 OG1 THR A 11 22.087 -10.327 8.650 1.00 0.00 O ATOM 118 CG2 THR A 11 22.584 -8.409 10.031 1.00 0.00 C ATOM 0 H THR A 11 21.006 -10.654 10.815 1.00 0.00 H new ATOM 0 HA THR A 11 19.944 -8.178 10.091 1.00 0.00 H new ATOM 0 HB THR A 11 21.576 -8.386 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.988 -10.253 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.579 -8.348 9.589 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.242 -7.408 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 11 22.623 -9.028 10.928 1.00 0.00 H new ATOM 126 N PRO A 12 18.684 -8.358 7.883 1.00 0.00 N ATOM 127 CA PRO A 12 17.720 -8.479 6.785 1.00 0.00 C ATOM 128 C PRO A 12 18.357 -9.024 5.511 1.00 0.00 C ATOM 129 O PRO A 12 19.563 -8.894 5.306 1.00 0.00 O ATOM 130 CB PRO A 12 17.244 -7.040 6.571 1.00 0.00 C ATOM 131 CG PRO A 12 18.364 -6.193 7.068 1.00 0.00 C ATOM 132 CD PRO A 12 18.985 -6.954 8.207 1.00 0.00 C ATOM 0 HA PRO A 12 16.918 -9.177 7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.036 -6.844 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 12 16.324 -6.842 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.093 -6.008 6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.000 -5.221 7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.059 -6.777 8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.557 -6.662 9.166 1.00 0.00 H new ATOM 140 N GLN A 13 17.538 -9.635 4.661 1.00 0.00 N ATOM 141 CA GLN A 13 18.023 -10.200 3.407 1.00 0.00 C ATOM 142 C GLN A 13 18.006 -9.155 2.296 1.00 0.00 C ATOM 143 O GLN A 13 17.639 -9.449 1.158 1.00 0.00 O ATOM 144 CB GLN A 13 17.172 -11.405 3.003 1.00 0.00 C ATOM 145 CG GLN A 13 17.595 -12.701 3.675 1.00 0.00 C ATOM 146 CD GLN A 13 16.513 -13.762 3.629 1.00 0.00 C ATOM 147 OE1 GLN A 13 16.708 -14.840 3.066 1.00 0.00 O ATOM 148 NE2 GLN A 13 15.364 -13.463 4.223 1.00 0.00 N ATOM 0 H GLN A 13 16.537 -9.751 4.817 1.00 0.00 H new ATOM 0 HA GLN A 13 19.052 -10.525 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 13 16.130 -11.202 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.226 -11.532 1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.493 -13.082 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.856 -12.499 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.245 -12.558 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.600 -14.139 4.225 1.00 0.00 H new ATOM 157 N LYS A 14 18.406 -7.934 2.633 1.00 0.00 N ATOM 158 CA LYS A 14 18.438 -6.844 1.665 1.00 0.00 C ATOM 159 C LYS A 14 17.293 -6.971 0.665 1.00 0.00 C ATOM 160 O LYS A 14 17.476 -6.755 -0.533 1.00 0.00 O ATOM 161 CB LYS A 14 19.777 -6.832 0.924 1.00 0.00 C ATOM 162 CG LYS A 14 20.055 -8.108 0.148 1.00 0.00 C ATOM 163 CD LYS A 14 20.776 -9.135 1.004 1.00 0.00 C ATOM 164 CE LYS A 14 22.262 -8.831 1.107 1.00 0.00 C ATOM 165 NZ LYS A 14 22.975 -9.826 1.955 1.00 0.00 N ATOM 0 H LYS A 14 18.713 -7.674 3.570 1.00 0.00 H new ATOM 0 HA LYS A 14 18.321 -5.906 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.794 -5.987 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.580 -6.673 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.116 -8.528 -0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.658 -7.877 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.337 -9.151 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.636 -10.128 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 14 22.701 -8.823 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 14 22.400 -7.833 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 23.985 -9.583 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 22.574 -9.816 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 22.865 -10.775 1.544 1.00 0.00 H new ATOM 179 N PHE A 15 16.113 -7.321 1.165 1.00 0.00 N ATOM 180 CA PHE A 15 14.938 -7.475 0.315 1.00 0.00 C ATOM 181 C PHE A 15 14.161 -6.166 0.217 1.00 0.00 C ATOM 182 O PHE A 15 13.108 -6.007 0.834 1.00 0.00 O ATOM 183 CB PHE A 15 14.030 -8.580 0.860 1.00 0.00 C ATOM 184 CG PHE A 15 13.627 -8.373 2.292 1.00 0.00 C ATOM 185 CD1 PHE A 15 14.504 -8.670 3.323 1.00 0.00 C ATOM 186 CD2 PHE A 15 12.371 -7.881 2.608 1.00 0.00 C ATOM 187 CE1 PHE A 15 14.135 -8.480 4.641 1.00 0.00 C ATOM 188 CE2 PHE A 15 11.996 -7.689 3.925 1.00 0.00 C ATOM 189 CZ PHE A 15 12.880 -7.989 4.942 1.00 0.00 C ATOM 0 H PHE A 15 15.945 -7.503 2.154 1.00 0.00 H new ATOM 0 HA PHE A 15 15.277 -7.751 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.133 -8.639 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 15 14.543 -9.538 0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 15 15.487 -9.054 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.676 -7.644 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.828 -8.715 5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.014 -7.305 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.590 -7.840 5.972 1.00 0.00 H new ATOM 199 N LYS A 16 14.690 -5.228 -0.562 1.00 0.00 N ATOM 200 CA LYS A 16 14.048 -3.932 -0.744 1.00 0.00 C ATOM 201 C LYS A 16 13.577 -3.754 -2.183 1.00 0.00 C ATOM 202 O LYS A 16 13.686 -2.668 -2.752 1.00 0.00 O ATOM 203 CB LYS A 16 15.013 -2.805 -0.369 1.00 0.00 C ATOM 204 CG LYS A 16 15.133 -2.579 1.128 1.00 0.00 C ATOM 205 CD LYS A 16 16.246 -1.598 1.457 1.00 0.00 C ATOM 206 CE LYS A 16 16.582 -1.613 2.940 1.00 0.00 C ATOM 207 NZ LYS A 16 15.441 -1.140 3.772 1.00 0.00 N ATOM 0 H LYS A 16 15.563 -5.342 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 16 13.178 -3.891 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.999 -3.033 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.680 -1.881 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.187 -2.201 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.326 -3.529 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.136 -1.848 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.946 -0.593 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.856 -2.625 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.451 -0.981 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.716 -1.149 4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.185 -0.172 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.625 -1.769 3.631 1.00 0.00 H new ATOM 221 N GLU A 17 13.052 -4.828 -2.766 1.00 0.00 N ATOM 222 CA GLU A 17 12.564 -4.789 -4.140 1.00 0.00 C ATOM 223 C GLU A 17 11.215 -5.491 -4.258 1.00 0.00 C ATOM 224 O GLU A 17 10.980 -6.521 -3.625 1.00 0.00 O ATOM 225 CB GLU A 17 13.576 -5.442 -5.083 1.00 0.00 C ATOM 226 CG GLU A 17 13.364 -5.086 -6.545 1.00 0.00 C ATOM 227 CD GLU A 17 14.295 -5.843 -7.471 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.500 -5.938 -7.155 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.819 -6.342 -8.513 1.00 0.00 O ATOM 0 H GLU A 17 12.954 -5.734 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 17 12.436 -3.744 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.581 -5.143 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.520 -6.525 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.331 -5.299 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.515 -4.015 -6.680 1.00 0.00 H new ATOM 236 N LYS A 18 10.330 -4.927 -5.073 1.00 0.00 N ATOM 237 CA LYS A 18 9.003 -5.498 -5.276 1.00 0.00 C ATOM 238 C LYS A 18 8.490 -5.195 -6.680 1.00 0.00 C ATOM 239 O LYS A 18 8.961 -4.267 -7.338 1.00 0.00 O ATOM 240 CB LYS A 18 8.025 -4.950 -4.234 1.00 0.00 C ATOM 241 CG LYS A 18 8.518 -5.088 -2.805 1.00 0.00 C ATOM 242 CD LYS A 18 7.385 -4.927 -1.806 1.00 0.00 C ATOM 243 CE LYS A 18 7.659 -5.696 -0.522 1.00 0.00 C ATOM 244 NZ LYS A 18 8.979 -5.339 0.067 1.00 0.00 N ATOM 0 H LYS A 18 10.508 -4.074 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 18 9.078 -6.579 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.836 -3.897 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.073 -5.471 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.985 -6.064 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.285 -4.339 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.249 -3.870 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.454 -5.279 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.870 -5.488 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.630 -6.766 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.071 -5.778 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.740 -5.683 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.049 -4.306 0.160 1.00 0.00 H new ATOM 258 N THR A 19 7.520 -5.983 -7.134 1.00 0.00 N ATOM 259 CA THR A 19 6.943 -5.799 -8.459 1.00 0.00 C ATOM 260 C THR A 19 5.641 -5.009 -8.387 1.00 0.00 C ATOM 261 O THR A 19 4.925 -5.065 -7.388 1.00 0.00 O ATOM 262 CB THR A 19 6.672 -7.150 -9.147 1.00 0.00 C ATOM 263 OG1 THR A 19 6.383 -6.945 -10.534 1.00 0.00 O ATOM 264 CG2 THR A 19 5.509 -7.872 -8.483 1.00 0.00 C ATOM 0 H THR A 19 7.118 -6.755 -6.603 1.00 0.00 H new ATOM 0 HA THR A 19 7.672 -5.241 -9.046 1.00 0.00 H new ATOM 0 HB THR A 19 7.565 -7.767 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.214 -7.809 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.336 -8.823 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.744 -8.053 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.612 -7.257 -8.552 1.00 0.00 H new ATOM 272 N ALA A 20 5.340 -4.274 -9.452 1.00 0.00 N ATOM 273 CA ALA A 20 4.123 -3.474 -9.510 1.00 0.00 C ATOM 274 C ALA A 20 2.936 -4.239 -8.933 1.00 0.00 C ATOM 275 O ALA A 20 2.385 -3.860 -7.901 1.00 0.00 O ATOM 276 CB ALA A 20 3.835 -3.053 -10.944 1.00 0.00 C ATOM 0 H ALA A 20 5.923 -4.216 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 20 4.276 -2.580 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.923 -2.456 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.668 -2.461 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.707 -3.940 -11.565 1.00 0.00 H new ATOM 282 N GLU A 21 2.548 -5.317 -9.608 1.00 0.00 N ATOM 283 CA GLU A 21 1.426 -6.134 -9.162 1.00 0.00 C ATOM 284 C GLU A 21 1.412 -6.255 -7.641 1.00 0.00 C ATOM 285 O GLU A 21 0.413 -5.943 -6.993 1.00 0.00 O ATOM 286 CB GLU A 21 1.494 -7.525 -9.795 1.00 0.00 C ATOM 287 CG GLU A 21 0.173 -8.275 -9.762 1.00 0.00 C ATOM 288 CD GLU A 21 -0.165 -8.799 -8.380 1.00 0.00 C ATOM 289 OE1 GLU A 21 0.772 -9.086 -7.607 1.00 0.00 O ATOM 290 OE2 GLU A 21 -1.369 -8.921 -8.071 1.00 0.00 O ATOM 0 H GLU A 21 2.994 -5.644 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 21 0.505 -5.644 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.821 -7.428 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.250 -8.114 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.625 -7.614 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.215 -9.109 -10.463 1.00 0.00 H new ATOM 297 N GLN A 22 2.527 -6.712 -7.080 1.00 0.00 N ATOM 298 CA GLN A 22 2.642 -6.876 -5.635 1.00 0.00 C ATOM 299 C GLN A 22 2.262 -5.590 -4.909 1.00 0.00 C ATOM 300 O GLN A 22 1.363 -5.584 -4.066 1.00 0.00 O ATOM 301 CB GLN A 22 4.068 -7.285 -5.260 1.00 0.00 C ATOM 302 CG GLN A 22 4.395 -8.731 -5.598 1.00 0.00 C ATOM 303 CD GLN A 22 5.812 -9.112 -5.219 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.709 -8.269 -5.193 1.00 0.00 O ATOM 305 NE2 GLN A 22 6.022 -10.389 -4.921 1.00 0.00 N ATOM 0 H GLN A 22 3.362 -6.975 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 22 1.952 -7.662 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.772 -6.632 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.213 -7.129 -4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.695 -9.388 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.253 -8.891 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.250 -11.054 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.956 -10.704 -4.658 1.00 0.00 H new ATOM 314 N LEU A 23 2.950 -4.504 -5.240 1.00 0.00 N ATOM 315 CA LEU A 23 2.684 -3.211 -4.619 1.00 0.00 C ATOM 316 C LEU A 23 1.219 -2.820 -4.781 1.00 0.00 C ATOM 317 O LEU A 23 0.501 -2.641 -3.796 1.00 0.00 O ATOM 318 CB LEU A 23 3.581 -2.134 -5.232 1.00 0.00 C ATOM 319 CG LEU A 23 5.020 -2.085 -4.715 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.830 -1.055 -5.488 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.041 -1.774 -3.226 1.00 0.00 C ATOM 0 H LEU A 23 3.697 -4.492 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 23 2.903 -3.296 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.609 -2.284 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.120 -1.162 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 23 5.474 -3.064 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.851 -1.034 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.843 -1.321 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.377 -0.071 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.073 -1.743 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.569 -0.808 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.497 -2.548 -2.685 1.00 0.00 H new ATOM 333 N ARG A 24 0.780 -2.691 -6.029 1.00 0.00 N ATOM 334 CA ARG A 24 -0.600 -2.322 -6.319 1.00 0.00 C ATOM 335 C ARG A 24 -1.551 -2.915 -5.283 1.00 0.00 C ATOM 336 O ARG A 24 -2.571 -2.315 -4.946 1.00 0.00 O ATOM 337 CB ARG A 24 -0.994 -2.798 -7.719 1.00 0.00 C ATOM 338 CG ARG A 24 -2.493 -2.786 -7.967 1.00 0.00 C ATOM 339 CD ARG A 24 -2.855 -3.551 -9.230 1.00 0.00 C ATOM 340 NE ARG A 24 -4.077 -3.044 -9.847 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.159 -1.865 -10.455 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.095 -1.077 -10.527 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.307 -1.473 -10.992 1.00 0.00 N ATOM 0 H ARG A 24 1.360 -2.837 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.675 -1.235 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.507 -2.164 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.618 -3.810 -7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.008 -3.227 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.841 -1.756 -8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.034 -3.482 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.981 -4.607 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.914 -3.626 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.211 -1.375 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.161 -0.173 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.128 -2.077 -10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.369 -0.568 -11.458 1.00 0.00 H new ATOM 357 N VAL A 25 -1.209 -4.098 -4.783 1.00 0.00 N ATOM 358 CA VAL A 25 -2.031 -4.773 -3.785 1.00 0.00 C ATOM 359 C VAL A 25 -1.714 -4.270 -2.381 1.00 0.00 C ATOM 360 O VAL A 25 -2.575 -3.709 -1.702 1.00 0.00 O ATOM 361 CB VAL A 25 -1.828 -6.299 -3.829 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.672 -6.981 -2.763 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.162 -6.840 -5.211 1.00 0.00 C ATOM 0 H VAL A 25 -0.368 -4.609 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.070 -4.545 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.780 -6.515 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.515 -8.059 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.381 -6.614 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.725 -6.760 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.013 -7.920 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.201 -6.614 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.511 -6.375 -5.951 1.00 0.00 H new ATOM 373 N LEU A 26 -0.474 -4.473 -1.951 1.00 0.00 N ATOM 374 CA LEU A 26 -0.042 -4.040 -0.627 1.00 0.00 C ATOM 375 C LEU A 26 -0.464 -2.598 -0.362 1.00 0.00 C ATOM 376 O LEU A 26 -1.043 -2.293 0.681 1.00 0.00 O ATOM 377 CB LEU A 26 1.476 -4.171 -0.496 1.00 0.00 C ATOM 378 CG LEU A 26 2.037 -5.591 -0.583 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.452 -5.573 -1.141 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.009 -6.261 0.783 1.00 0.00 C ATOM 0 H LEU A 26 0.251 -4.935 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.521 -4.682 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.941 -3.570 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.777 -3.741 0.459 1.00 0.00 H new ATOM 0 HG LEU A 26 1.408 -6.168 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.835 -6.592 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.444 -5.134 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.093 -4.979 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.412 -7.271 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.613 -5.685 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.982 -6.308 1.144 1.00 0.00 H new ATOM 392 N GLN A 27 -0.171 -1.717 -1.312 1.00 0.00 N ATOM 393 CA GLN A 27 -0.522 -0.308 -1.181 1.00 0.00 C ATOM 394 C GLN A 27 -2.024 -0.137 -0.982 1.00 0.00 C ATOM 395 O GLN A 27 -2.464 0.676 -0.169 1.00 0.00 O ATOM 396 CB GLN A 27 -0.067 0.470 -2.417 1.00 0.00 C ATOM 397 CG GLN A 27 0.266 1.926 -2.132 1.00 0.00 C ATOM 398 CD GLN A 27 -0.933 2.840 -2.287 1.00 0.00 C ATOM 399 OE1 GLN A 27 -1.978 2.432 -2.796 1.00 0.00 O ATOM 400 NE2 GLN A 27 -0.789 4.085 -1.849 1.00 0.00 N ATOM 0 H GLN A 27 0.308 -1.954 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.011 0.087 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.811 -0.018 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.852 0.427 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.656 2.014 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.057 2.253 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.095 4.381 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.562 4.746 -1.928 1.00 0.00 H new ATOM 409 N ALA A 28 -2.806 -0.908 -1.730 1.00 0.00 N ATOM 410 CA ALA A 28 -4.259 -0.843 -1.635 1.00 0.00 C ATOM 411 C ALA A 28 -4.749 -1.423 -0.312 1.00 0.00 C ATOM 412 O ALA A 28 -5.890 -1.196 0.092 1.00 0.00 O ATOM 413 CB ALA A 28 -4.898 -1.577 -2.804 1.00 0.00 C ATOM 0 H ALA A 28 -2.458 -1.585 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.554 0.206 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.983 -1.520 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.582 -1.116 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.587 -2.622 -2.791 1.00 0.00 H new ATOM 419 N SER A 29 -3.880 -2.173 0.358 1.00 0.00 N ATOM 420 CA SER A 29 -4.226 -2.790 1.633 1.00 0.00 C ATOM 421 C SER A 29 -3.771 -1.918 2.799 1.00 0.00 C ATOM 422 O SER A 29 -4.590 -1.412 3.568 1.00 0.00 O ATOM 423 CB SER A 29 -3.592 -4.177 1.741 1.00 0.00 C ATOM 424 OG SER A 29 -4.103 -4.886 2.857 1.00 0.00 O ATOM 0 H SER A 29 -2.931 -2.368 0.039 1.00 0.00 H new ATOM 0 HA SER A 29 -5.310 -2.890 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.785 -4.741 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.510 -4.080 1.832 1.00 0.00 H new ATOM 0 HG SER A 29 -3.607 -4.629 3.663 1.00 0.00 H new ATOM 430 N PHE A 30 -2.460 -1.745 2.925 1.00 0.00 N ATOM 431 CA PHE A 30 -1.894 -0.935 3.997 1.00 0.00 C ATOM 432 C PHE A 30 -2.728 0.322 4.227 1.00 0.00 C ATOM 433 O PHE A 30 -2.952 0.732 5.367 1.00 0.00 O ATOM 434 CB PHE A 30 -0.450 -0.551 3.668 1.00 0.00 C ATOM 435 CG PHE A 30 0.055 0.619 4.463 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.552 0.440 5.744 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.033 1.898 3.930 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.016 1.515 6.478 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.497 2.976 4.659 1.00 0.00 C ATOM 440 CZ PHE A 30 0.990 2.784 5.935 1.00 0.00 C ATOM 0 H PHE A 30 -1.769 -2.155 2.297 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.904 -1.529 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.196 -1.410 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.378 -0.317 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.577 -0.551 6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.351 2.054 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.399 1.362 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.474 3.968 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.354 3.625 6.507 1.00 0.00 H new ATOM 450 N LEU A 31 -3.184 0.929 3.137 1.00 0.00 N ATOM 451 CA LEU A 31 -3.992 2.141 3.218 1.00 0.00 C ATOM 452 C LEU A 31 -5.346 1.850 3.858 1.00 0.00 C ATOM 453 O LEU A 31 -5.879 2.669 4.605 1.00 0.00 O ATOM 454 CB LEU A 31 -4.193 2.738 1.824 1.00 0.00 C ATOM 455 CG LEU A 31 -3.014 3.531 1.258 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.228 3.825 -0.218 1.00 0.00 C ATOM 457 CD2 LEU A 31 -2.818 4.824 2.038 1.00 0.00 C ATOM 0 H LEU A 31 -3.008 0.602 2.187 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.462 2.861 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.425 1.927 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.065 3.392 1.853 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.112 2.927 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.379 4.390 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.319 2.887 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.140 4.409 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.975 5.376 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.720 5.432 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.618 4.591 3.084 1.00 0.00 H new ATOM 469 N ASN A 32 -5.895 0.676 3.562 1.00 0.00 N ATOM 470 CA ASN A 32 -7.186 0.276 4.110 1.00 0.00 C ATOM 471 C ASN A 32 -7.062 -0.084 5.588 1.00 0.00 C ATOM 472 O ASN A 32 -8.054 -0.117 6.315 1.00 0.00 O ATOM 473 CB ASN A 32 -7.749 -0.913 3.330 1.00 0.00 C ATOM 474 CG ASN A 32 -8.634 -0.481 2.177 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.833 -0.761 2.162 1.00 0.00 O ATOM 476 ND2 ASN A 32 -8.046 0.204 1.204 1.00 0.00 N ATOM 0 H ASN A 32 -5.466 -0.015 2.946 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.869 1.120 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.925 -1.515 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.321 -1.549 4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.591 0.521 0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.049 0.414 1.258 1.00 0.00 H new ATOM 483 N SER A 33 -5.835 -0.352 6.025 1.00 0.00 N ATOM 484 CA SER A 33 -5.581 -0.713 7.414 1.00 0.00 C ATOM 485 C SER A 33 -4.082 -0.816 7.683 1.00 0.00 C ATOM 486 O SER A 33 -3.417 -1.736 7.210 1.00 0.00 O ATOM 487 CB SER A 33 -6.263 -2.040 7.752 1.00 0.00 C ATOM 488 OG SER A 33 -7.610 -1.837 8.141 1.00 0.00 O ATOM 0 H SER A 33 -5.002 -0.326 5.437 1.00 0.00 H new ATOM 0 HA SER A 33 -5.994 0.071 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.227 -2.702 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.720 -2.537 8.556 1.00 0.00 H new ATOM 0 HG SER A 33 -8.019 -1.161 7.562 1.00 0.00 H new ATOM 494 N SER A 34 -3.558 0.137 8.448 1.00 0.00 N ATOM 495 CA SER A 34 -2.138 0.158 8.777 1.00 0.00 C ATOM 496 C SER A 34 -1.769 -1.028 9.664 1.00 0.00 C ATOM 497 O SER A 34 -0.762 -1.698 9.436 1.00 0.00 O ATOM 498 CB SER A 34 -1.775 1.467 9.481 1.00 0.00 C ATOM 499 OG SER A 34 -2.484 1.604 10.700 1.00 0.00 O ATOM 0 H SER A 34 -4.096 0.904 8.851 1.00 0.00 H new ATOM 0 HA SER A 34 -1.574 0.085 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.703 1.494 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.002 2.310 8.828 1.00 0.00 H new ATOM 0 HG SER A 34 -2.233 2.447 11.131 1.00 0.00 H new ATOM 505 N VAL A 35 -2.592 -1.281 10.676 1.00 0.00 N ATOM 506 CA VAL A 35 -2.355 -2.386 11.597 1.00 0.00 C ATOM 507 C VAL A 35 -2.713 -3.722 10.956 1.00 0.00 C ATOM 508 O VAL A 35 -3.828 -4.220 11.114 1.00 0.00 O ATOM 509 CB VAL A 35 -3.165 -2.219 12.896 1.00 0.00 C ATOM 510 CG1 VAL A 35 -2.884 -3.367 13.853 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.853 -0.881 13.549 1.00 0.00 C ATOM 0 H VAL A 35 -3.429 -0.735 10.879 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.292 -2.374 11.837 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.226 -2.238 12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.465 -3.231 14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.163 -4.310 13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.822 -3.384 14.099 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.434 -0.779 14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.790 -0.831 13.785 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.111 -0.073 12.864 1.00 0.00 H new ATOM 521 N LEU A 36 -1.760 -4.299 10.232 1.00 0.00 N ATOM 522 CA LEU A 36 -1.974 -5.579 9.566 1.00 0.00 C ATOM 523 C LEU A 36 -2.620 -6.585 10.515 1.00 0.00 C ATOM 524 O LEU A 36 -2.259 -6.668 11.689 1.00 0.00 O ATOM 525 CB LEU A 36 -0.647 -6.133 9.045 1.00 0.00 C ATOM 526 CG LEU A 36 -0.744 -7.135 7.894 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.231 -6.448 6.627 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.601 -7.806 7.656 1.00 0.00 C ATOM 0 H LEU A 36 -0.832 -3.901 10.091 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.648 -5.415 8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.029 -5.296 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.125 -6.612 9.874 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.467 -7.903 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.294 -7.177 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.216 -6.016 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.533 -5.658 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.513 -8.516 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.345 -7.050 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.909 -8.333 8.559 1.00 0.00 H new ATOM 540 N THR A 37 -3.577 -7.349 9.996 1.00 0.00 N ATOM 541 CA THR A 37 -4.272 -8.349 10.796 1.00 0.00 C ATOM 542 C THR A 37 -4.170 -9.730 10.158 1.00 0.00 C ATOM 543 O THR A 37 -4.225 -9.866 8.936 1.00 0.00 O ATOM 544 CB THR A 37 -5.759 -7.989 10.977 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.351 -7.695 9.707 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.916 -6.793 11.904 1.00 0.00 C ATOM 0 H THR A 37 -3.888 -7.294 9.026 1.00 0.00 H new ATOM 0 HA THR A 37 -3.788 -8.365 11.773 1.00 0.00 H new ATOM 0 HB THR A 37 -6.265 -8.845 11.423 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.296 -7.469 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.974 -6.557 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.491 -7.030 12.879 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.396 -5.934 11.481 1.00 0.00 H new ATOM 554 N ASP A 38 -4.023 -10.753 10.993 1.00 0.00 N ATOM 555 CA ASP A 38 -3.915 -12.125 10.511 1.00 0.00 C ATOM 556 C ASP A 38 -4.766 -12.330 9.262 1.00 0.00 C ATOM 557 O ASP A 38 -4.268 -12.765 8.225 1.00 0.00 O ATOM 558 CB ASP A 38 -4.343 -13.107 11.602 1.00 0.00 C ATOM 559 CG ASP A 38 -4.717 -14.466 11.044 1.00 0.00 C ATOM 560 OD1 ASP A 38 -3.966 -14.983 10.191 1.00 0.00 O ATOM 561 OD2 ASP A 38 -5.760 -15.012 11.460 1.00 0.00 O ATOM 0 H ASP A 38 -3.976 -10.658 12.007 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.873 -12.313 10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.532 -13.223 12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.193 -12.694 12.145 1.00 0.00 H new ATOM 566 N GLU A 39 -6.053 -12.014 9.371 1.00 0.00 N ATOM 567 CA GLU A 39 -6.974 -12.166 8.250 1.00 0.00 C ATOM 568 C GLU A 39 -6.404 -11.525 6.987 1.00 0.00 C ATOM 569 O GLU A 39 -6.370 -12.147 5.926 1.00 0.00 O ATOM 570 CB GLU A 39 -8.329 -11.541 8.586 1.00 0.00 C ATOM 571 CG GLU A 39 -8.236 -10.367 9.546 1.00 0.00 C ATOM 572 CD GLU A 39 -9.521 -9.564 9.611 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.394 -9.908 10.434 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.653 -8.591 8.839 1.00 0.00 O ATOM 0 H GLU A 39 -6.481 -11.652 10.223 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.110 -13.232 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.805 -11.208 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.974 -12.305 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.991 -10.735 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.419 -9.714 9.238 1.00 0.00 H new ATOM 581 N GLU A 40 -5.960 -10.279 7.112 1.00 0.00 N ATOM 582 CA GLU A 40 -5.393 -9.554 5.981 1.00 0.00 C ATOM 583 C GLU A 40 -4.054 -10.155 5.564 1.00 0.00 C ATOM 584 O GLU A 40 -3.880 -10.580 4.421 1.00 0.00 O ATOM 585 CB GLU A 40 -5.213 -8.075 6.333 1.00 0.00 C ATOM 586 CG GLU A 40 -4.368 -7.309 5.329 1.00 0.00 C ATOM 587 CD GLU A 40 -4.736 -5.840 5.259 1.00 0.00 C ATOM 588 OE1 GLU A 40 -5.944 -5.534 5.174 1.00 0.00 O ATOM 589 OE2 GLU A 40 -3.816 -4.996 5.288 1.00 0.00 O ATOM 0 H GLU A 40 -5.982 -9.751 7.984 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.086 -9.640 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.194 -7.605 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.751 -7.998 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.316 -7.404 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.487 -7.757 4.343 1.00 0.00 H new ATOM 596 N LEU A 41 -3.111 -10.187 6.499 1.00 0.00 N ATOM 597 CA LEU A 41 -1.786 -10.736 6.230 1.00 0.00 C ATOM 598 C LEU A 41 -1.873 -11.932 5.287 1.00 0.00 C ATOM 599 O LEU A 41 -1.124 -12.024 4.315 1.00 0.00 O ATOM 600 CB LEU A 41 -1.109 -11.152 7.537 1.00 0.00 C ATOM 601 CG LEU A 41 0.419 -11.188 7.520 1.00 0.00 C ATOM 602 CD1 LEU A 41 0.968 -11.213 8.938 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.915 -12.392 6.733 1.00 0.00 C ATOM 0 H LEU A 41 -3.239 -9.840 7.449 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.190 -9.960 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.427 -10.466 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.473 -12.142 7.812 1.00 0.00 H new ATOM 0 HG LEU A 41 0.779 -10.284 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.057 -11.239 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.641 -10.320 9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.599 -12.099 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.005 -12.402 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.545 -13.307 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.551 -12.331 5.707 1.00 0.00 H new ATOM 615 N ASN A 42 -2.794 -12.844 5.580 1.00 0.00 N ATOM 616 CA ASN A 42 -2.980 -14.034 4.757 1.00 0.00 C ATOM 617 C ASN A 42 -3.321 -13.653 3.319 1.00 0.00 C ATOM 618 O ASN A 42 -2.541 -13.898 2.400 1.00 0.00 O ATOM 619 CB ASN A 42 -4.088 -14.914 5.339 1.00 0.00 C ATOM 620 CG ASN A 42 -3.576 -15.850 6.417 1.00 0.00 C ATOM 621 OD1 ASN A 42 -3.329 -17.029 6.164 1.00 0.00 O ATOM 622 ND2 ASN A 42 -3.415 -15.327 7.627 1.00 0.00 N ATOM 0 H ASN A 42 -3.423 -12.782 6.381 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.044 -14.593 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.872 -14.280 5.754 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.542 -15.499 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.074 -15.908 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.633 -14.344 7.791 1.00 0.00 H new ATOM 629 N ARG A 43 -4.492 -13.051 3.134 1.00 0.00 N ATOM 630 CA ARG A 43 -4.937 -12.636 1.809 1.00 0.00 C ATOM 631 C ARG A 43 -3.759 -12.155 0.966 1.00 0.00 C ATOM 632 O ARG A 43 -3.589 -12.575 -0.179 1.00 0.00 O ATOM 633 CB ARG A 43 -5.983 -11.527 1.924 1.00 0.00 C ATOM 634 CG ARG A 43 -7.002 -11.532 0.796 1.00 0.00 C ATOM 635 CD ARG A 43 -7.514 -10.131 0.500 1.00 0.00 C ATOM 636 NE ARG A 43 -8.592 -9.739 1.404 1.00 0.00 N ATOM 637 CZ ARG A 43 -9.800 -10.292 1.389 1.00 0.00 C ATOM 638 NH1 ARG A 43 -10.082 -11.255 0.523 1.00 0.00 N ATOM 639 NH2 ARG A 43 -10.729 -9.882 2.244 1.00 0.00 N ATOM 0 H ARG A 43 -5.149 -12.840 3.885 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.385 -13.499 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.506 -11.629 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.477 -10.562 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.550 -11.952 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.839 -12.177 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.693 -9.419 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.870 -10.085 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.408 -9.001 2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.371 -11.574 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.010 -11.677 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.516 -9.142 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.656 -10.307 2.232 1.00 0.00 H new ATOM 653 N LEU A 44 -2.950 -11.272 1.540 1.00 0.00 N ATOM 654 CA LEU A 44 -1.788 -10.732 0.842 1.00 0.00 C ATOM 655 C LEU A 44 -0.734 -11.813 0.623 1.00 0.00 C ATOM 656 O LEU A 44 -0.212 -11.969 -0.481 1.00 0.00 O ATOM 657 CB LEU A 44 -1.186 -9.570 1.634 1.00 0.00 C ATOM 658 CG LEU A 44 -2.128 -8.404 1.935 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.687 -7.672 3.193 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.187 -7.447 0.753 1.00 0.00 C ATOM 0 H LEU A 44 -3.077 -10.914 2.487 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.117 -10.368 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.807 -9.958 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.329 -9.185 1.081 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.128 -8.804 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.369 -6.845 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.697 -8.361 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.678 -7.284 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.862 -6.623 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.190 -7.054 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.551 -7.978 -0.127 1.00 0.00 H new ATOM 672 N ARG A 45 -0.428 -12.557 1.680 1.00 0.00 N ATOM 673 CA ARG A 45 0.562 -13.624 1.603 1.00 0.00 C ATOM 674 C ARG A 45 0.326 -14.497 0.374 1.00 0.00 C ATOM 675 O ARG A 45 1.257 -15.100 -0.159 1.00 0.00 O ATOM 676 CB ARG A 45 0.517 -14.483 2.868 1.00 0.00 C ATOM 677 CG ARG A 45 1.857 -15.102 3.232 1.00 0.00 C ATOM 678 CD ARG A 45 1.894 -15.532 4.690 1.00 0.00 C ATOM 679 NE ARG A 45 1.425 -16.904 4.868 1.00 0.00 N ATOM 680 CZ ARG A 45 1.636 -17.616 5.969 1.00 0.00 C ATOM 681 NH1 ARG A 45 2.305 -17.089 6.985 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.177 -18.858 6.055 1.00 0.00 N ATOM 0 H ARG A 45 -0.852 -12.441 2.601 1.00 0.00 H new ATOM 0 HA ARG A 45 1.547 -13.166 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.171 -13.871 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.216 -15.278 2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.047 -15.964 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.654 -14.383 3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.913 -15.445 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.276 -14.858 5.283 1.00 0.00 H new ATOM 0 HE ARG A 45 0.907 -17.339 4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.659 -16.134 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.466 -17.638 7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.662 -19.266 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.339 -19.404 6.901 1.00 0.00 H new ATOM 696 N ALA A 46 -0.925 -14.559 -0.070 1.00 0.00 N ATOM 697 CA ALA A 46 -1.283 -15.356 -1.237 1.00 0.00 C ATOM 698 C ALA A 46 -1.297 -14.504 -2.501 1.00 0.00 C ATOM 699 O ALA A 46 -0.685 -14.860 -3.507 1.00 0.00 O ATOM 700 CB ALA A 46 -2.637 -16.018 -1.029 1.00 0.00 C ATOM 0 H ALA A 46 -1.708 -14.067 0.361 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.527 -16.131 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.892 -16.610 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.594 -16.667 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.397 -15.252 -0.875 1.00 0.00 H new ATOM 706 N GLN A 47 -2.000 -13.377 -2.441 1.00 0.00 N ATOM 707 CA GLN A 47 -2.094 -12.475 -3.583 1.00 0.00 C ATOM 708 C GLN A 47 -0.708 -12.066 -4.070 1.00 0.00 C ATOM 709 O GLN A 47 -0.354 -12.288 -5.229 1.00 0.00 O ATOM 710 CB GLN A 47 -2.904 -11.231 -3.212 1.00 0.00 C ATOM 711 CG GLN A 47 -4.406 -11.417 -3.358 1.00 0.00 C ATOM 712 CD GLN A 47 -5.166 -10.108 -3.283 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.598 -9.568 -4.302 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.334 -9.589 -2.073 1.00 0.00 N ATOM 0 H GLN A 47 -2.512 -13.067 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.601 -13.004 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.679 -10.955 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.586 -10.400 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.617 -11.901 -4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.763 -12.086 -2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.959 -10.070 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.838 -8.709 -1.961 1.00 0.00 H new ATOM 723 N THR A 48 0.075 -11.468 -3.178 1.00 0.00 N ATOM 724 CA THR A 48 1.422 -11.027 -3.517 1.00 0.00 C ATOM 725 C THR A 48 2.393 -12.201 -3.550 1.00 0.00 C ATOM 726 O THR A 48 3.529 -12.070 -4.008 1.00 0.00 O ATOM 727 CB THR A 48 1.938 -9.977 -2.516 1.00 0.00 C ATOM 728 OG1 THR A 48 2.167 -10.586 -1.240 1.00 0.00 O ATOM 729 CG2 THR A 48 0.943 -8.836 -2.367 1.00 0.00 C ATOM 0 H THR A 48 -0.201 -11.278 -2.215 1.00 0.00 H new ATOM 0 HA THR A 48 1.367 -10.577 -4.508 1.00 0.00 H new ATOM 0 HB THR A 48 2.875 -9.573 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.361 -11.067 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.329 -8.107 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.793 -8.355 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.008 -9.227 -2.006 1.00 0.00 H new ATOM 737 N LYS A 49 1.940 -13.351 -3.062 1.00 0.00 N ATOM 738 CA LYS A 49 2.768 -14.551 -3.037 1.00 0.00 C ATOM 739 C LYS A 49 4.071 -14.298 -2.285 1.00 0.00 C ATOM 740 O LYS A 49 5.109 -14.878 -2.608 1.00 0.00 O ATOM 741 CB LYS A 49 3.072 -15.017 -4.463 1.00 0.00 C ATOM 742 CG LYS A 49 1.828 -15.280 -5.294 1.00 0.00 C ATOM 743 CD LYS A 49 1.349 -16.714 -5.141 1.00 0.00 C ATOM 744 CE LYS A 49 0.403 -17.109 -6.265 1.00 0.00 C ATOM 745 NZ LYS A 49 -0.972 -16.581 -6.044 1.00 0.00 N ATOM 0 H LYS A 49 1.003 -13.477 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 49 2.214 -15.332 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.679 -14.261 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.669 -15.928 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.035 -14.596 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.040 -15.076 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.207 -17.386 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.844 -16.830 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.788 -16.733 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.366 -18.196 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.628 -17.373 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.976 -15.961 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.274 -16.039 -6.879 1.00 0.00 H new ATOM 759 N LEU A 50 4.011 -13.430 -1.282 1.00 0.00 N ATOM 760 CA LEU A 50 5.186 -13.101 -0.483 1.00 0.00 C ATOM 761 C LEU A 50 5.122 -13.776 0.883 1.00 0.00 C ATOM 762 O LEU A 50 4.184 -14.517 1.179 1.00 0.00 O ATOM 763 CB LEU A 50 5.302 -11.585 -0.311 1.00 0.00 C ATOM 764 CG LEU A 50 6.060 -10.841 -1.410 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.942 -9.337 -1.216 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.521 -11.264 -1.432 1.00 0.00 C ATOM 0 H LEU A 50 3.161 -12.941 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 50 6.067 -13.469 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.297 -11.169 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.793 -11.384 0.641 1.00 0.00 H new ATOM 0 HG LEU A 50 5.614 -11.099 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.488 -8.824 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.892 -9.047 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.361 -9.061 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.044 -10.724 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.980 -11.036 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.587 -12.335 -1.621 1.00 0.00 H new ATOM 778 N THR A 51 6.126 -13.514 1.715 1.00 0.00 N ATOM 779 CA THR A 51 6.184 -14.095 3.050 1.00 0.00 C ATOM 780 C THR A 51 5.848 -13.058 4.116 1.00 0.00 C ATOM 781 O THR A 51 6.137 -11.872 3.954 1.00 0.00 O ATOM 782 CB THR A 51 7.575 -14.686 3.346 1.00 0.00 C ATOM 783 OG1 THR A 51 7.534 -15.455 4.553 1.00 0.00 O ATOM 784 CG2 THR A 51 8.615 -13.584 3.475 1.00 0.00 C ATOM 0 H THR A 51 6.910 -12.903 1.487 1.00 0.00 H new ATOM 0 HA THR A 51 5.444 -14.895 3.079 1.00 0.00 H new ATOM 0 HB THR A 51 7.855 -15.332 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.422 -15.829 4.733 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.589 -14.026 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.665 -13.020 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.337 -12.915 4.290 1.00 0.00 H new ATOM 792 N ARG A 52 5.238 -13.512 5.206 1.00 0.00 N ATOM 793 CA ARG A 52 4.863 -12.622 6.298 1.00 0.00 C ATOM 794 C ARG A 52 5.883 -11.499 6.459 1.00 0.00 C ATOM 795 O ARG A 52 5.567 -10.326 6.257 1.00 0.00 O ATOM 796 CB ARG A 52 4.744 -13.408 7.606 1.00 0.00 C ATOM 797 CG ARG A 52 4.023 -12.649 8.708 1.00 0.00 C ATOM 798 CD ARG A 52 4.993 -11.843 9.557 1.00 0.00 C ATOM 799 NE ARG A 52 5.522 -12.623 10.673 1.00 0.00 N ATOM 800 CZ ARG A 52 4.802 -12.971 11.733 1.00 0.00 C ATOM 801 NH1 ARG A 52 3.529 -12.611 11.820 1.00 0.00 N ATOM 802 NH2 ARG A 52 5.354 -13.681 12.708 1.00 0.00 N ATOM 0 H ARG A 52 4.993 -14.491 5.356 1.00 0.00 H new ATOM 0 HA ARG A 52 3.896 -12.180 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.215 -14.341 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.743 -13.674 7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.283 -11.981 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.481 -13.352 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.818 -11.496 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.488 -10.957 9.941 1.00 0.00 H new ATOM 0 HE ARG A 52 6.498 -12.916 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.101 -12.066 11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.978 -12.879 12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.333 -13.960 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.800 -13.948 13.522 1.00 0.00 H new ATOM 816 N ARG A 53 7.107 -11.866 6.825 1.00 0.00 N ATOM 817 CA ARG A 53 8.173 -10.889 7.014 1.00 0.00 C ATOM 818 C ARG A 53 8.143 -9.831 5.915 1.00 0.00 C ATOM 819 O ARG A 53 8.054 -8.636 6.193 1.00 0.00 O ATOM 820 CB ARG A 53 9.535 -11.585 7.030 1.00 0.00 C ATOM 821 CG ARG A 53 10.581 -10.860 7.860 1.00 0.00 C ATOM 822 CD ARG A 53 10.333 -11.041 9.350 1.00 0.00 C ATOM 823 NE ARG A 53 10.807 -9.899 10.127 1.00 0.00 N ATOM 824 CZ ARG A 53 10.721 -9.824 11.450 1.00 0.00 C ATOM 825 NH1 ARG A 53 10.184 -10.820 12.141 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.175 -8.751 12.086 1.00 0.00 N ATOM 0 H ARG A 53 7.385 -12.832 6.996 1.00 0.00 H new ATOM 0 HA ARG A 53 8.013 -10.396 7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.412 -12.596 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.897 -11.679 6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.572 -11.236 7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.570 -9.798 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.266 -11.181 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.834 -11.946 9.693 1.00 0.00 H new ATOM 0 HE ARG A 53 11.227 -9.116 9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.835 -11.647 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.120 -10.759 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.590 -7.983 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.108 -8.694 13.102 1.00 0.00 H new ATOM 840 N GLU A 54 8.219 -10.281 4.666 1.00 0.00 N ATOM 841 CA GLU A 54 8.202 -9.372 3.526 1.00 0.00 C ATOM 842 C GLU A 54 7.061 -8.366 3.649 1.00 0.00 C ATOM 843 O GLU A 54 7.275 -7.156 3.568 1.00 0.00 O ATOM 844 CB GLU A 54 8.064 -10.159 2.221 1.00 0.00 C ATOM 845 CG GLU A 54 9.392 -10.623 1.646 1.00 0.00 C ATOM 846 CD GLU A 54 10.039 -9.580 0.756 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.348 -8.611 0.377 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.238 -9.732 0.440 1.00 0.00 O ATOM 0 H GLU A 54 8.293 -11.268 4.419 1.00 0.00 H new ATOM 0 HA GLU A 54 9.145 -8.826 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.430 -11.028 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.556 -9.537 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.071 -10.870 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.236 -11.537 1.074 1.00 0.00 H new ATOM 855 N ILE A 55 5.849 -8.875 3.845 1.00 0.00 N ATOM 856 CA ILE A 55 4.675 -8.022 3.979 1.00 0.00 C ATOM 857 C ILE A 55 4.710 -7.242 5.290 1.00 0.00 C ATOM 858 O ILE A 55 4.930 -6.031 5.297 1.00 0.00 O ATOM 859 CB ILE A 55 3.373 -8.842 3.918 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.342 -9.695 2.648 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.164 -7.921 3.973 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.224 -10.713 2.631 1.00 0.00 C ATOM 0 H ILE A 55 5.655 -9.874 3.914 1.00 0.00 H new ATOM 0 HA ILE A 55 4.695 -7.324 3.142 1.00 0.00 H new ATOM 0 HB ILE A 55 3.338 -9.507 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.239 -9.040 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.296 -10.213 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.251 -8.515 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.182 -7.352 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.191 -7.234 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.263 -11.281 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.337 -11.392 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.264 -10.201 2.703 1.00 0.00 H new ATOM 874 N ASP A 56 4.492 -7.945 6.396 1.00 0.00 N ATOM 875 CA ASP A 56 4.502 -7.320 7.713 1.00 0.00 C ATOM 876 C ASP A 56 5.588 -6.252 7.801 1.00 0.00 C ATOM 877 O ASP A 56 5.405 -5.217 8.440 1.00 0.00 O ATOM 878 CB ASP A 56 4.716 -8.374 8.800 1.00 0.00 C ATOM 879 CG ASP A 56 4.746 -7.773 10.192 1.00 0.00 C ATOM 880 OD1 ASP A 56 5.843 -7.389 10.648 1.00 0.00 O ATOM 881 OD2 ASP A 56 3.673 -7.687 10.825 1.00 0.00 O ATOM 0 H ASP A 56 4.306 -8.948 6.406 1.00 0.00 H new ATOM 0 HA ASP A 56 3.535 -6.842 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.919 -9.116 8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.653 -8.899 8.614 1.00 0.00 H new ATOM 886 N ALA A 57 6.720 -6.513 7.154 1.00 0.00 N ATOM 887 CA ALA A 57 7.835 -5.575 7.158 1.00 0.00 C ATOM 888 C ALA A 57 7.510 -4.332 6.337 1.00 0.00 C ATOM 889 O ALA A 57 7.685 -3.206 6.802 1.00 0.00 O ATOM 890 CB ALA A 57 9.093 -6.247 6.627 1.00 0.00 C ATOM 0 H ALA A 57 6.888 -7.366 6.621 1.00 0.00 H new ATOM 0 HA ALA A 57 8.011 -5.263 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.918 -5.534 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.344 -7.100 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.920 -6.589 5.607 1.00 0.00 H new ATOM 896 N TRP A 58 7.038 -4.544 5.114 1.00 0.00 N ATOM 897 CA TRP A 58 6.689 -3.440 4.227 1.00 0.00 C ATOM 898 C TRP A 58 5.730 -2.473 4.913 1.00 0.00 C ATOM 899 O TRP A 58 6.029 -1.289 5.063 1.00 0.00 O ATOM 900 CB TRP A 58 6.062 -3.972 2.938 1.00 0.00 C ATOM 901 CG TRP A 58 5.824 -2.908 1.909 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.723 -2.438 0.995 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.610 -2.182 1.692 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.140 -1.462 0.222 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.844 -1.288 0.629 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.347 -2.202 2.290 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.861 -0.422 0.155 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.373 -1.342 1.819 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.634 -0.463 0.760 1.00 0.00 C ATOM 0 H TRP A 58 6.888 -5.470 4.714 1.00 0.00 H new ATOM 0 HA TRP A 58 7.604 -2.901 3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.713 -4.737 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.115 -4.455 3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.742 -2.782 0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.598 -0.951 -0.532 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.136 -2.878 3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.060 0.257 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.394 -1.348 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.851 0.196 0.414 1.00 0.00 H new ATOM 920 N PHE A 59 4.576 -2.986 5.326 1.00 0.00 N ATOM 921 CA PHE A 59 3.572 -2.167 5.996 1.00 0.00 C ATOM 922 C PHE A 59 4.220 -1.242 7.021 1.00 0.00 C ATOM 923 O PHE A 59 3.895 -0.057 7.099 1.00 0.00 O ATOM 924 CB PHE A 59 2.531 -3.056 6.680 1.00 0.00 C ATOM 925 CG PHE A 59 1.429 -3.503 5.763 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.717 -4.185 4.592 1.00 0.00 C ATOM 927 CD2 PHE A 59 0.104 -3.242 6.072 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.705 -4.596 3.746 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.913 -3.652 5.231 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.612 -4.331 4.066 1.00 0.00 C ATOM 0 H PHE A 59 4.313 -3.964 5.209 1.00 0.00 H new ATOM 0 HA PHE A 59 3.077 -1.555 5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.029 -3.934 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.097 -2.513 7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.745 -4.398 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.137 -2.712 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.944 -5.124 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.942 -3.442 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.405 -4.654 3.407 1.00 0.00 H new ATOM 940 N THR A 60 5.139 -1.792 7.808 1.00 0.00 N ATOM 941 CA THR A 60 5.832 -1.019 8.831 1.00 0.00 C ATOM 942 C THR A 60 6.458 0.239 8.239 1.00 0.00 C ATOM 943 O THR A 60 5.994 1.350 8.489 1.00 0.00 O ATOM 944 CB THR A 60 6.932 -1.852 9.516 1.00 0.00 C ATOM 945 OG1 THR A 60 6.414 -3.132 9.892 1.00 0.00 O ATOM 946 CG2 THR A 60 7.467 -1.134 10.746 1.00 0.00 C ATOM 0 H THR A 60 5.421 -2.771 7.756 1.00 0.00 H new ATOM 0 HA THR A 60 5.086 -0.736 9.573 1.00 0.00 H new ATOM 0 HB THR A 60 7.750 -1.986 8.808 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.409 -3.725 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.242 -1.741 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.887 -0.172 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.655 -0.974 11.456 1.00 0.00 H new ATOM 954 N GLU A 61 7.514 0.055 7.451 1.00 0.00 N ATOM 955 CA GLU A 61 8.202 1.177 6.824 1.00 0.00 C ATOM 956 C GLU A 61 7.204 2.215 6.321 1.00 0.00 C ATOM 957 O GLU A 61 7.330 3.406 6.610 1.00 0.00 O ATOM 958 CB GLU A 61 9.072 0.686 5.665 1.00 0.00 C ATOM 959 CG GLU A 61 8.390 0.778 4.310 1.00 0.00 C ATOM 960 CD GLU A 61 9.321 0.435 3.164 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.118 -0.515 3.311 1.00 0.00 O ATOM 962 OE2 GLU A 61 9.253 1.117 2.120 1.00 0.00 O ATOM 0 H GLU A 61 7.910 -0.859 7.232 1.00 0.00 H new ATOM 0 HA GLU A 61 8.839 1.645 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.992 1.270 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.357 -0.350 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.534 0.104 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.004 1.788 4.170 1.00 0.00 H new ATOM 969 N LYS A 62 6.212 1.756 5.565 1.00 0.00 N ATOM 970 CA LYS A 62 5.190 2.643 5.021 1.00 0.00 C ATOM 971 C LYS A 62 4.764 3.681 6.055 1.00 0.00 C ATOM 972 O LYS A 62 4.745 4.880 5.775 1.00 0.00 O ATOM 973 CB LYS A 62 3.974 1.835 4.564 1.00 0.00 C ATOM 974 CG LYS A 62 3.220 2.471 3.410 1.00 0.00 C ATOM 975 CD LYS A 62 4.035 2.445 2.128 1.00 0.00 C ATOM 976 CE LYS A 62 3.200 2.862 0.927 1.00 0.00 C ATOM 977 NZ LYS A 62 4.031 3.496 -0.133 1.00 0.00 N ATOM 0 H LYS A 62 6.094 0.774 5.315 1.00 0.00 H new ATOM 0 HA LYS A 62 5.616 3.163 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.301 0.838 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.294 1.710 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.279 1.943 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.970 3.502 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.891 3.113 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.430 1.442 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.692 1.989 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.426 3.559 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.425 3.766 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.496 4.344 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.754 2.822 -0.457 1.00 0.00 H new ATOM 991 N LYS A 63 4.425 3.213 7.251 1.00 0.00 N ATOM 992 CA LYS A 63 4.002 4.100 8.328 1.00 0.00 C ATOM 993 C LYS A 63 4.910 5.323 8.415 1.00 0.00 C ATOM 994 O LYS A 63 4.447 6.438 8.656 1.00 0.00 O ATOM 995 CB LYS A 63 4.006 3.353 9.664 1.00 0.00 C ATOM 996 CG LYS A 63 3.019 2.200 9.718 1.00 0.00 C ATOM 997 CD LYS A 63 3.150 1.414 11.012 1.00 0.00 C ATOM 998 CE LYS A 63 2.015 0.415 11.175 1.00 0.00 C ATOM 999 NZ LYS A 63 2.300 -0.579 12.246 1.00 0.00 N ATOM 0 H LYS A 63 4.435 2.224 7.499 1.00 0.00 H new ATOM 0 HA LYS A 63 2.988 4.437 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.009 2.971 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.775 4.056 10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.003 2.585 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.186 1.536 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.104 0.887 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.155 2.102 11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.093 0.948 11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.851 -0.105 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.503 -1.242 12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.165 -1.105 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.431 -0.085 13.152 1.00 0.00 H new ATOM 1013 N LYS A 64 6.206 5.106 8.216 1.00 0.00 N ATOM 1014 CA LYS A 64 7.180 6.190 8.269 1.00 0.00 C ATOM 1015 C LYS A 64 6.740 7.361 7.396 1.00 0.00 C ATOM 1016 O LYS A 64 6.908 8.522 7.767 1.00 0.00 O ATOM 1017 CB LYS A 64 8.554 5.691 7.816 1.00 0.00 C ATOM 1018 CG LYS A 64 9.052 4.487 8.597 1.00 0.00 C ATOM 1019 CD LYS A 64 9.340 4.843 10.046 1.00 0.00 C ATOM 1020 CE LYS A 64 9.350 3.607 10.932 1.00 0.00 C ATOM 1021 NZ LYS A 64 9.181 3.954 12.370 1.00 0.00 N ATOM 0 H LYS A 64 6.606 4.189 8.017 1.00 0.00 H new ATOM 0 HA LYS A 64 7.247 6.534 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.507 5.433 6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.276 6.501 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.306 3.693 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.957 4.098 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.304 5.348 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.587 5.544 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.550 2.933 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.289 3.070 10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.193 3.085 12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.958 4.576 12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.273 4.444 12.505 1.00 0.00 H new ATOM 1035 N SER A 65 6.174 7.047 6.234 1.00 0.00 N ATOM 1036 CA SER A 65 5.712 8.073 5.307 1.00 0.00 C ATOM 1037 C SER A 65 4.521 8.831 5.886 1.00 0.00 C ATOM 1038 O SER A 65 4.321 10.011 5.597 1.00 0.00 O ATOM 1039 CB SER A 65 5.327 7.444 3.967 1.00 0.00 C ATOM 1040 OG SER A 65 6.471 7.223 3.160 1.00 0.00 O ATOM 0 H SER A 65 6.025 6.090 5.913 1.00 0.00 H new ATOM 0 HA SER A 65 6.528 8.778 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.812 6.499 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.629 8.096 3.443 1.00 0.00 H new ATOM 0 HG SER A 65 6.198 6.819 2.310 1.00 0.00 H new ATOM 1046 N LYS A 66 3.733 8.145 6.707 1.00 0.00 N ATOM 1047 CA LYS A 66 2.562 8.751 7.329 1.00 0.00 C ATOM 1048 C LYS A 66 2.955 9.545 8.570 1.00 0.00 C ATOM 1049 O LYS A 66 2.194 10.385 9.048 1.00 0.00 O ATOM 1050 CB LYS A 66 1.542 7.673 7.702 1.00 0.00 C ATOM 1051 CG LYS A 66 0.539 7.377 6.601 1.00 0.00 C ATOM 1052 CD LYS A 66 -0.810 6.971 7.169 1.00 0.00 C ATOM 1053 CE LYS A 66 -1.717 8.176 7.366 1.00 0.00 C ATOM 1054 NZ LYS A 66 -2.216 8.713 6.070 1.00 0.00 N ATOM 0 H LYS A 66 3.885 7.168 6.957 1.00 0.00 H new ATOM 0 HA LYS A 66 2.112 9.435 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.072 6.755 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.004 7.987 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.419 8.258 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.921 6.579 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.290 6.259 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.666 6.462 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.563 7.895 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.173 8.957 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.046 9.316 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.468 9.275 5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.483 7.924 5.447 1.00 0.00 H new ATOM 1068 N ALA A 67 4.150 9.274 9.087 1.00 0.00 N ATOM 1069 CA ALA A 67 4.645 9.966 10.270 1.00 0.00 C ATOM 1070 C ALA A 67 4.993 11.417 9.952 1.00 0.00 C ATOM 1071 O ALA A 67 4.872 12.297 10.806 1.00 0.00 O ATOM 1072 CB ALA A 67 5.858 9.242 10.835 1.00 0.00 C ATOM 0 H ALA A 67 4.792 8.580 8.705 1.00 0.00 H new ATOM 0 HA ALA A 67 3.853 9.966 11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.218 9.770 11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.580 8.224 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.647 9.213 10.084 1.00 0.00 H new ATOM 1078 N LEU A 68 5.427 11.660 8.720 1.00 0.00 N ATOM 1079 CA LEU A 68 5.794 13.005 8.290 1.00 0.00 C ATOM 1080 C LEU A 68 4.572 13.917 8.255 1.00 0.00 C ATOM 1081 O LEU A 68 3.436 13.450 8.175 1.00 0.00 O ATOM 1082 CB LEU A 68 6.450 12.958 6.909 1.00 0.00 C ATOM 1083 CG LEU A 68 7.711 12.102 6.793 1.00 0.00 C ATOM 1084 CD1 LEU A 68 7.963 11.716 5.344 1.00 0.00 C ATOM 1085 CD2 LEU A 68 8.912 12.841 7.366 1.00 0.00 C ATOM 0 H LEU A 68 5.533 10.944 8.002 1.00 0.00 H new ATOM 0 HA LEU A 68 6.506 13.410 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.716 12.587 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.698 13.977 6.612 1.00 0.00 H new ATOM 0 HG LEU A 68 7.561 11.189 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.865 11.107 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.114 11.147 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.091 12.617 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.801 12.217 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.064 13.770 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.733 13.066 8.417 1.00 0.00 H new ATOM 1097 N LYS A 69 4.813 15.223 8.314 1.00 0.00 N ATOM 1098 CA LYS A 69 3.734 16.203 8.286 1.00 0.00 C ATOM 1099 C LYS A 69 2.658 15.798 7.283 1.00 0.00 C ATOM 1100 O LYS A 69 2.930 15.654 6.092 1.00 0.00 O ATOM 1101 CB LYS A 69 4.283 17.586 7.930 1.00 0.00 C ATOM 1102 CG LYS A 69 5.287 18.119 8.937 1.00 0.00 C ATOM 1103 CD LYS A 69 5.559 19.599 8.723 1.00 0.00 C ATOM 1104 CE LYS A 69 6.469 20.160 9.805 1.00 0.00 C ATOM 1105 NZ LYS A 69 5.744 20.364 11.090 1.00 0.00 N ATOM 0 H LYS A 69 5.747 15.627 8.382 1.00 0.00 H new ATOM 0 HA LYS A 69 3.285 16.241 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.755 17.539 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.453 18.288 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.910 17.960 9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.219 17.561 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.019 19.748 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.616 20.146 8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.306 19.480 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.889 21.109 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.386 20.795 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.931 20.993 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.409 19.447 11.449 1.00 0.00 H new ATOM 1119 N GLU A 70 1.436 15.617 7.775 1.00 0.00 N ATOM 1120 CA GLU A 70 0.320 15.230 6.920 1.00 0.00 C ATOM 1121 C GLU A 70 -0.829 16.227 7.041 1.00 0.00 C ATOM 1122 O GLU A 70 -0.965 16.914 8.053 1.00 0.00 O ATOM 1123 CB GLU A 70 -0.168 13.827 7.286 1.00 0.00 C ATOM 1124 CG GLU A 70 -1.152 13.244 6.285 1.00 0.00 C ATOM 1125 CD GLU A 70 -0.602 13.221 4.872 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -0.516 14.301 4.251 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -0.257 12.123 4.388 1.00 0.00 O ATOM 0 H GLU A 70 1.194 15.732 8.759 1.00 0.00 H new ATOM 0 HA GLU A 70 0.670 15.228 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.692 13.162 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.639 13.860 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.412 12.229 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.072 13.828 6.303 1.00 0.00 H new ATOM 1134 N GLU A 71 -1.653 16.301 6.000 1.00 0.00 N ATOM 1135 CA GLU A 71 -2.789 17.215 5.989 1.00 0.00 C ATOM 1136 C GLU A 71 -3.618 17.068 7.262 1.00 0.00 C ATOM 1137 O GLU A 71 -3.555 16.044 7.943 1.00 0.00 O ATOM 1138 CB GLU A 71 -3.668 16.957 4.763 1.00 0.00 C ATOM 1139 CG GLU A 71 -2.974 17.252 3.444 1.00 0.00 C ATOM 1140 CD GLU A 71 -3.948 17.388 2.290 1.00 0.00 C ATOM 1141 OE1 GLU A 71 -5.078 17.866 2.520 1.00 0.00 O ATOM 1142 OE2 GLU A 71 -3.578 17.017 1.156 1.00 0.00 O ATOM 0 H GLU A 71 -1.555 15.739 5.154 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.403 18.233 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.990 15.916 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.567 17.569 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.398 18.173 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.265 16.454 3.224 1.00 0.00 H new ATOM 1149 N LYS A 72 -4.395 18.099 7.578 1.00 0.00 N ATOM 1150 CA LYS A 72 -5.237 18.087 8.768 1.00 0.00 C ATOM 1151 C LYS A 72 -6.005 16.773 8.878 1.00 0.00 C ATOM 1152 O LYS A 72 -6.647 16.337 7.923 1.00 0.00 O ATOM 1153 CB LYS A 72 -6.218 19.261 8.735 1.00 0.00 C ATOM 1154 CG LYS A 72 -6.779 19.623 10.100 1.00 0.00 C ATOM 1155 CD LYS A 72 -7.363 21.026 10.108 1.00 0.00 C ATOM 1156 CE LYS A 72 -8.667 21.091 9.328 1.00 0.00 C ATOM 1157 NZ LYS A 72 -9.239 22.466 9.318 1.00 0.00 N ATOM 0 H LYS A 72 -4.459 18.954 7.026 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.591 18.185 9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.715 20.132 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.043 19.016 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.550 18.905 10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.990 19.552 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.537 21.343 11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.644 21.723 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.494 20.762 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.388 20.401 9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.127 22.469 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.428 22.771 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.562 23.120 8.876 1.00 0.00 H new ATOM 1171 N MET A 73 -5.934 16.148 10.048 1.00 0.00 N ATOM 1172 CA MET A 73 -6.625 14.885 10.283 1.00 0.00 C ATOM 1173 C MET A 73 -7.587 15.003 11.460 1.00 0.00 C ATOM 1174 O MET A 73 -7.370 15.798 12.373 1.00 0.00 O ATOM 1175 CB MET A 73 -5.614 13.767 10.545 1.00 0.00 C ATOM 1176 CG MET A 73 -5.126 13.079 9.280 1.00 0.00 C ATOM 1177 SD MET A 73 -4.164 11.594 9.624 1.00 0.00 S ATOM 1178 CE MET A 73 -5.195 10.339 8.869 1.00 0.00 C ATOM 0 H MET A 73 -5.405 16.495 10.848 1.00 0.00 H new ATOM 0 HA MET A 73 -7.200 14.642 9.390 1.00 0.00 H new ATOM 0 HB2 MET A 73 -4.757 14.181 11.077 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.068 13.024 11.201 1.00 0.00 H new ATOM 0 HG2 MET A 73 -5.983 12.816 8.660 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.518 13.776 8.704 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.732 9.361 8.999 1.00 0.00 H new ATOM 0 HE2 MET A 73 -6.177 10.341 9.343 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.305 10.550 7.805 1.00 0.00 H new ATOM 1188 N GLU A 74 -8.651 14.206 11.431 1.00 0.00 N ATOM 1189 CA GLU A 74 -9.647 14.223 12.496 1.00 0.00 C ATOM 1190 C GLU A 74 -9.210 13.343 13.663 1.00 0.00 C ATOM 1191 O GLU A 74 -9.066 12.128 13.518 1.00 0.00 O ATOM 1192 CB GLU A 74 -11.002 13.750 11.965 1.00 0.00 C ATOM 1193 CG GLU A 74 -12.174 14.155 12.843 1.00 0.00 C ATOM 1194 CD GLU A 74 -12.252 15.654 13.057 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -11.459 16.181 13.865 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -13.107 16.301 12.416 1.00 0.00 O ATOM 0 H GLU A 74 -8.845 13.541 10.682 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.743 15.248 12.853 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.152 14.154 10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.987 12.664 11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.101 13.808 12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.088 13.658 13.809 1.00 0.00 H new ATOM 1203 N ILE A 75 -9.001 13.964 14.819 1.00 0.00 N ATOM 1204 CA ILE A 75 -8.581 13.237 16.011 1.00 0.00 C ATOM 1205 C ILE A 75 -9.442 11.998 16.231 1.00 0.00 C ATOM 1206 O ILE A 75 -10.652 12.021 16.003 1.00 0.00 O ATOM 1207 CB ILE A 75 -8.651 14.127 17.266 1.00 0.00 C ATOM 1208 CG1 ILE A 75 -7.760 15.359 17.095 1.00 0.00 C ATOM 1209 CG2 ILE A 75 -8.241 13.336 18.499 1.00 0.00 C ATOM 1210 CD1 ILE A 75 -8.069 16.469 18.075 1.00 0.00 C ATOM 0 H ILE A 75 -9.116 14.968 14.956 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.547 12.933 15.848 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.680 14.462 17.399 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.718 15.062 17.211 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.872 15.740 16.080 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.295 13.978 19.378 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.913 12.488 18.627 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.220 12.974 18.376 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.399 17.310 17.895 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.101 16.793 17.944 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.929 16.105 19.093 1.00 0.00 H new ATOM 1222 N ASP A 76 -8.811 10.918 16.677 1.00 0.00 N ATOM 1223 CA ASP A 76 -9.519 9.669 16.932 1.00 0.00 C ATOM 1224 C ASP A 76 -10.343 9.762 18.212 1.00 0.00 C ATOM 1225 O ASP A 76 -9.854 10.223 19.243 1.00 0.00 O ATOM 1226 CB ASP A 76 -8.529 8.507 17.031 1.00 0.00 C ATOM 1227 CG ASP A 76 -7.737 8.531 18.323 1.00 0.00 C ATOM 1228 OD1 ASP A 76 -8.293 8.132 19.368 1.00 0.00 O ATOM 1229 OD2 ASP A 76 -6.560 8.947 18.290 1.00 0.00 O ATOM 0 H ASP A 76 -7.810 10.882 16.870 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.197 9.488 16.098 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.071 7.564 16.958 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.842 8.546 16.186 1.00 0.00 H new ATOM 1234 N GLU A 77 -11.596 9.323 18.138 1.00 0.00 N ATOM 1235 CA GLU A 77 -12.487 9.360 19.291 1.00 0.00 C ATOM 1236 C GLU A 77 -11.896 8.579 20.461 1.00 0.00 C ATOM 1237 O GLU A 77 -11.144 7.623 20.266 1.00 0.00 O ATOM 1238 CB GLU A 77 -13.858 8.788 18.922 1.00 0.00 C ATOM 1239 CG GLU A 77 -13.866 7.277 18.769 1.00 0.00 C ATOM 1240 CD GLU A 77 -15.207 6.662 19.116 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -16.191 6.938 18.398 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -15.273 5.903 20.106 1.00 0.00 O ATOM 0 H GLU A 77 -12.016 8.938 17.292 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.605 10.400 19.594 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.579 9.071 19.689 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.192 9.241 17.989 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.607 7.018 17.742 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.097 6.847 19.410 1.00 0.00 H new ATOM 1249 N SER A 78 -12.241 8.993 21.676 1.00 0.00 N ATOM 1250 CA SER A 78 -11.741 8.335 22.878 1.00 0.00 C ATOM 1251 C SER A 78 -12.727 7.280 23.370 1.00 0.00 C ATOM 1252 O SER A 78 -13.886 7.257 22.957 1.00 0.00 O ATOM 1253 CB SER A 78 -11.488 9.365 23.980 1.00 0.00 C ATOM 1254 OG SER A 78 -12.666 10.094 24.278 1.00 0.00 O ATOM 0 H SER A 78 -12.864 9.780 21.854 1.00 0.00 H new ATOM 0 HA SER A 78 -10.802 7.841 22.628 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.132 8.861 24.878 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.701 10.051 23.667 1.00 0.00 H new ATOM 0 HG SER A 78 -12.478 10.744 24.986 1.00 0.00 H new ATOM 1260 N ASN A 79 -12.258 6.407 24.255 1.00 0.00 N ATOM 1261 CA ASN A 79 -13.097 5.348 24.803 1.00 0.00 C ATOM 1262 C ASN A 79 -13.384 5.592 26.282 1.00 0.00 C ATOM 1263 O ASN A 79 -12.501 5.995 27.038 1.00 0.00 O ATOM 1264 CB ASN A 79 -12.421 3.987 24.621 1.00 0.00 C ATOM 1265 CG ASN A 79 -11.046 3.935 25.259 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -10.083 4.492 24.732 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -10.948 3.262 26.400 1.00 0.00 N ATOM 0 H ASN A 79 -11.301 6.412 24.608 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.043 5.351 24.262 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.050 3.211 25.056 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.334 3.767 23.557 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.048 3.192 26.875 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.773 2.816 26.801 1.00 0.00 H new ATOM 1274 N ALA A 80 -14.625 5.344 26.686 1.00 0.00 N ATOM 1275 CA ALA A 80 -15.029 5.534 28.074 1.00 0.00 C ATOM 1276 C ALA A 80 -14.805 4.265 28.890 1.00 0.00 C ATOM 1277 O ALA A 80 -15.342 3.206 28.567 1.00 0.00 O ATOM 1278 CB ALA A 80 -16.487 5.960 28.146 1.00 0.00 C ATOM 0 H ALA A 80 -15.368 5.011 26.072 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.410 6.323 28.502 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.775 6.098 29.188 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -16.619 6.897 27.606 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.114 5.190 27.696 1.00 0.00 H new ATOM 1284 N GLY A 81 -14.008 4.379 29.948 1.00 0.00 N ATOM 1285 CA GLY A 81 -13.727 3.233 30.792 1.00 0.00 C ATOM 1286 C GLY A 81 -14.988 2.582 31.325 1.00 0.00 C ATOM 1287 O GLY A 81 -15.576 3.055 32.297 1.00 0.00 O ATOM 0 H GLY A 81 -13.552 5.245 30.235 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.155 2.499 30.224 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.102 3.546 31.628 1.00 0.00 H new ATOM 1291 N SER A 82 -15.407 1.495 30.685 1.00 0.00 N ATOM 1292 CA SER A 82 -16.610 0.781 31.097 1.00 0.00 C ATOM 1293 C SER A 82 -16.269 -0.627 31.577 1.00 0.00 C ATOM 1294 O SER A 82 -16.023 -1.526 30.773 1.00 0.00 O ATOM 1295 CB SER A 82 -17.607 0.710 29.939 1.00 0.00 C ATOM 1296 OG SER A 82 -18.936 0.588 30.417 1.00 0.00 O ATOM 0 H SER A 82 -14.931 1.089 29.879 1.00 0.00 H new ATOM 0 HA SER A 82 -17.062 1.328 31.924 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.519 1.606 29.324 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.367 -0.140 29.300 1.00 0.00 H new ATOM 0 HG SER A 82 -19.554 0.546 29.658 1.00 0.00 H new ATOM 1302 N SER A 83 -16.256 -0.809 32.893 1.00 0.00 N ATOM 1303 CA SER A 83 -15.942 -2.106 33.482 1.00 0.00 C ATOM 1304 C SER A 83 -17.176 -2.718 34.137 1.00 0.00 C ATOM 1305 O SER A 83 -17.902 -2.046 34.870 1.00 0.00 O ATOM 1306 CB SER A 83 -14.821 -1.963 34.513 1.00 0.00 C ATOM 1307 OG SER A 83 -14.201 -3.211 34.768 1.00 0.00 O ATOM 0 H SER A 83 -16.459 -0.075 33.572 1.00 0.00 H new ATOM 0 HA SER A 83 -15.609 -2.769 32.684 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.079 -1.252 34.151 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.225 -1.558 35.441 1.00 0.00 H new ATOM 0 HG SER A 83 -13.487 -3.093 35.429 1.00 0.00 H new ATOM 1313 N SER A 84 -17.407 -3.999 33.868 1.00 0.00 N ATOM 1314 CA SER A 84 -18.556 -4.703 34.428 1.00 0.00 C ATOM 1315 C SER A 84 -18.245 -5.220 35.829 1.00 0.00 C ATOM 1316 O SER A 84 -17.373 -6.069 36.011 1.00 0.00 O ATOM 1317 CB SER A 84 -18.959 -5.867 33.520 1.00 0.00 C ATOM 1318 OG SER A 84 -20.230 -6.379 33.882 1.00 0.00 O ATOM 0 H SER A 84 -16.814 -4.571 33.266 1.00 0.00 H new ATOM 0 HA SER A 84 -19.386 -3.999 34.495 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.980 -5.533 32.483 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.212 -6.659 33.585 1.00 0.00 H new ATOM 0 HG SER A 84 -20.466 -7.121 33.286 1.00 0.00 H new ATOM 1324 N GLY A 85 -18.967 -4.702 36.818 1.00 0.00 N ATOM 1325 CA GLY A 85 -18.755 -5.122 38.191 1.00 0.00 C ATOM 1326 C GLY A 85 -20.055 -5.299 38.950 1.00 0.00 C ATOM 1327 O GLY A 85 -21.050 -4.623 38.687 1.00 0.00 O ATOM 0 H GLY A 85 -19.695 -3.999 36.693 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.202 -6.061 38.199 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.137 -4.384 38.702 1.00 0.00 H new ATOM 1331 N PRO A 86 -20.058 -6.230 39.916 1.00 0.00 N ATOM 1332 CA PRO A 86 -21.240 -6.516 40.735 1.00 0.00 C ATOM 1333 C PRO A 86 -21.570 -5.378 41.695 1.00 0.00 C ATOM 1334 O PRO A 86 -20.678 -4.788 42.303 1.00 0.00 O ATOM 1335 CB PRO A 86 -20.837 -7.772 41.513 1.00 0.00 C ATOM 1336 CG PRO A 86 -19.349 -7.721 41.567 1.00 0.00 C ATOM 1337 CD PRO A 86 -18.909 -7.073 40.284 1.00 0.00 C ATOM 0 HA PRO A 86 -22.136 -6.643 40.127 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -21.270 -7.774 42.513 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -21.185 -8.676 41.013 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -19.009 -7.148 42.430 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.928 -8.722 41.663 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -18.004 -6.481 40.423 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.691 -7.813 39.514 1.00 0.00 H new ATOM 1345 N SER A 87 -22.858 -5.075 41.825 1.00 0.00 N ATOM 1346 CA SER A 87 -23.306 -4.005 42.709 1.00 0.00 C ATOM 1347 C SER A 87 -22.657 -2.678 42.326 1.00 0.00 C ATOM 1348 O SER A 87 -22.124 -1.967 43.178 1.00 0.00 O ATOM 1349 CB SER A 87 -22.978 -4.346 44.164 1.00 0.00 C ATOM 1350 OG SER A 87 -23.695 -3.511 45.057 1.00 0.00 O ATOM 0 H SER A 87 -23.609 -5.555 41.330 1.00 0.00 H new ATOM 0 HA SER A 87 -24.386 -3.906 42.602 1.00 0.00 H new ATOM 0 HB2 SER A 87 -23.223 -5.390 44.361 1.00 0.00 H new ATOM 0 HB3 SER A 87 -21.908 -4.233 44.335 1.00 0.00 H new ATOM 0 HG SER A 87 -23.457 -2.575 44.892 1.00 0.00 H new ATOM 1356 N SER A 88 -22.707 -2.351 41.039 1.00 0.00 N ATOM 1357 CA SER A 88 -22.122 -1.112 40.542 1.00 0.00 C ATOM 1358 C SER A 88 -23.002 -0.490 39.462 1.00 0.00 C ATOM 1359 O SER A 88 -23.937 -1.119 38.968 1.00 0.00 O ATOM 1360 CB SER A 88 -20.721 -1.372 39.985 1.00 0.00 C ATOM 1361 OG SER A 88 -19.748 -1.337 41.015 1.00 0.00 O ATOM 0 H SER A 88 -23.147 -2.927 40.321 1.00 0.00 H new ATOM 0 HA SER A 88 -22.051 -0.414 41.376 1.00 0.00 H new ATOM 0 HB2 SER A 88 -20.697 -2.343 39.491 1.00 0.00 H new ATOM 0 HB3 SER A 88 -20.482 -0.624 39.229 1.00 0.00 H new ATOM 0 HG SER A 88 -20.177 -1.520 41.877 1.00 0.00 H new ATOM 1367 N GLY A 89 -22.697 0.753 39.101 1.00 0.00 N ATOM 1368 CA GLY A 89 -23.469 1.441 38.084 1.00 0.00 C ATOM 1369 C GLY A 89 -24.674 2.160 38.657 1.00 0.00 C ATOM 1370 O GLY A 89 -25.361 1.634 39.532 1.00 0.00 O ATOM 0 H GLY A 89 -21.928 1.295 39.495 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.830 2.161 37.572 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -23.801 0.721 37.336 1.00 0.00 H new TER 1374 GLY A 89