USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 70 SER OG : rot -96:sc= 1.24 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 1 ALA N :NH3+ 146:sc= 0.00943 (180deg=0) USER MOD Single : A 2 SER OG : rot 61:sc= 0.102 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -48:sc= 0.244 USER MOD Single : A 6 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.043) USER MOD Single : A 7 GLN : amide:sc= -15.3! C(o=-15!,f=-22!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -162:sc= -0.184 (180deg=-0.872) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.28) USER MOD Single : A 52 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 130:sc= -2.82! (180deg=-6!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.7!) USER MOD Single : A 86 MET CE :methyl 160:sc= -0.311 (180deg=-1.6) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0141 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.965 7.790 -24.830 1.00 0.00 N ATOM 2 CA ALA A 1 -18.439 7.686 -23.453 1.00 0.00 C ATOM 3 C ALA A 1 -18.487 9.079 -22.766 1.00 0.00 C ATOM 4 O ALA A 1 -18.170 10.101 -23.385 1.00 0.00 O ATOM 5 CB ALA A 1 -17.012 7.109 -23.479 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.453 7.128 -25.448 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.978 7.554 -24.833 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.834 8.761 -25.179 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.060 7.005 -22.871 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.631 7.035 -22.461 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.028 6.118 -23.933 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.365 7.765 -24.062 1.00 0.00 H new ATOM 13 N SER A 2 -18.908 9.098 -21.487 1.00 0.00 N ATOM 14 CA SER A 2 -18.960 10.339 -20.669 1.00 0.00 C ATOM 15 C SER A 2 -19.043 9.972 -19.162 1.00 0.00 C ATOM 16 O SER A 2 -19.918 10.465 -18.440 1.00 0.00 O ATOM 17 CB SER A 2 -20.152 11.209 -21.130 1.00 0.00 C ATOM 18 OG SER A 2 -21.394 10.551 -20.906 1.00 0.00 O ATOM 0 H SER A 2 -19.221 8.264 -20.989 1.00 0.00 H new ATOM 0 HA SER A 2 -18.051 10.924 -20.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.140 12.158 -20.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.047 11.440 -22.190 1.00 0.00 H new ATOM 0 HG SER A 2 -21.504 10.377 -19.948 1.00 0.00 H new ATOM 24 N MET A 3 -18.103 9.127 -18.701 1.00 0.00 N ATOM 25 CA MET A 3 -18.071 8.629 -17.300 1.00 0.00 C ATOM 26 C MET A 3 -16.739 7.867 -17.058 1.00 0.00 C ATOM 27 O MET A 3 -16.538 6.766 -17.585 1.00 0.00 O ATOM 28 CB MET A 3 -19.317 7.742 -17.029 1.00 0.00 C ATOM 29 CG MET A 3 -19.522 7.307 -15.565 1.00 0.00 C ATOM 30 SD MET A 3 -20.377 5.716 -15.476 1.00 0.00 S ATOM 31 CE MET A 3 -21.146 5.805 -13.846 1.00 0.00 C ATOM 0 H MET A 3 -17.344 8.767 -19.280 1.00 0.00 H new ATOM 0 HA MET A 3 -18.110 9.462 -16.598 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.204 8.285 -17.355 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.245 6.848 -17.648 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.556 7.233 -15.065 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.099 8.064 -15.034 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.707 4.889 -13.658 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.374 5.921 -13.085 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.823 6.659 -13.809 1.00 0.00 H new ATOM 41 N THR A 4 -15.840 8.474 -16.259 1.00 0.00 N ATOM 42 CA THR A 4 -14.476 7.934 -16.016 1.00 0.00 C ATOM 43 C THR A 4 -14.096 8.074 -14.517 1.00 0.00 C ATOM 44 O THR A 4 -12.915 8.227 -14.180 1.00 0.00 O ATOM 45 CB THR A 4 -13.444 8.555 -17.008 1.00 0.00 C ATOM 46 OG1 THR A 4 -12.223 7.825 -16.934 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.111 10.053 -16.849 1.00 0.00 C ATOM 0 H THR A 4 -16.031 9.346 -15.765 1.00 0.00 H new ATOM 0 HA THR A 4 -14.462 6.864 -16.225 1.00 0.00 H new ATOM 0 HB THR A 4 -13.946 8.481 -17.973 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.968 7.708 -15.995 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.382 10.346 -17.604 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.019 10.643 -16.974 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.697 10.230 -15.856 1.00 0.00 H new ATOM 55 N ASP A 5 -15.100 7.979 -13.626 1.00 0.00 N ATOM 56 CA ASP A 5 -14.897 7.996 -12.153 1.00 0.00 C ATOM 57 C ASP A 5 -14.057 6.766 -11.704 1.00 0.00 C ATOM 58 O ASP A 5 -13.626 6.712 -10.543 1.00 0.00 O ATOM 59 CB ASP A 5 -16.258 8.086 -11.397 1.00 0.00 C ATOM 60 CG ASP A 5 -16.875 6.748 -10.956 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.322 5.970 -11.827 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.921 6.477 -9.736 1.00 0.00 O ATOM 0 H ASP A 5 -16.078 7.888 -13.900 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.333 8.891 -11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.119 8.708 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.974 8.599 -12.039 1.00 0.00 H new ATOM 67 N GLN A 6 -13.829 5.796 -12.607 1.00 0.00 N ATOM 68 CA GLN A 6 -12.953 4.621 -12.363 1.00 0.00 C ATOM 69 C GLN A 6 -11.488 5.059 -12.664 1.00 0.00 C ATOM 70 O GLN A 6 -10.964 4.777 -13.745 1.00 0.00 O ATOM 71 CB GLN A 6 -13.384 3.400 -13.223 1.00 0.00 C ATOM 72 CG GLN A 6 -12.595 2.088 -12.985 1.00 0.00 C ATOM 73 CD GLN A 6 -11.882 1.538 -14.233 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.519 1.116 -15.199 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.557 1.526 -14.243 1.00 0.00 N ATOM 0 H GLN A 6 -14.248 5.799 -13.537 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.036 4.295 -11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.440 3.204 -13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.291 3.671 -14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.854 2.261 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.281 1.329 -12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.038 1.878 -13.439 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.056 1.165 -15.055 1.00 0.00 H new ATOM 84 N GLN A 7 -10.875 5.756 -11.693 1.00 0.00 N ATOM 85 CA GLN A 7 -9.446 6.162 -11.685 1.00 0.00 C ATOM 86 C GLN A 7 -9.319 7.641 -12.142 1.00 0.00 C ATOM 87 O GLN A 7 -8.252 8.050 -12.627 1.00 0.00 O ATOM 88 CB GLN A 7 -8.578 5.251 -12.603 1.00 0.00 C ATOM 89 CG GLN A 7 -8.817 3.727 -12.541 1.00 0.00 C ATOM 90 CD GLN A 7 -8.675 3.107 -11.142 1.00 0.00 C ATOM 91 OE1 GLN A 7 -7.668 2.470 -10.828 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.668 3.260 -10.278 1.00 0.00 N ATOM 0 H GLN A 7 -11.373 6.067 -10.859 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.076 6.054 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.731 5.572 -13.633 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.531 5.435 -12.364 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.818 3.515 -12.917 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.114 3.236 -13.213 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.499 3.788 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.602 2.849 -9.347 1.00 0.00 H new ATOM 101 N ALA A 8 -10.384 8.444 -11.966 1.00 0.00 N ATOM 102 CA ALA A 8 -10.389 9.886 -12.329 1.00 0.00 C ATOM 103 C ALA A 8 -9.876 10.730 -11.127 1.00 0.00 C ATOM 104 O ALA A 8 -9.027 11.613 -11.290 1.00 0.00 O ATOM 105 CB ALA A 8 -11.810 10.310 -12.748 1.00 0.00 C ATOM 0 H ALA A 8 -11.266 8.120 -11.570 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.721 10.058 -13.173 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.811 11.367 -13.013 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.127 9.720 -13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.499 10.143 -11.920 1.00 0.00 H new ATOM 111 N GLU A 9 -10.434 10.459 -9.933 1.00 0.00 N ATOM 112 CA GLU A 9 -10.141 11.231 -8.696 1.00 0.00 C ATOM 113 C GLU A 9 -8.607 11.275 -8.464 1.00 0.00 C ATOM 114 O GLU A 9 -8.037 12.349 -8.232 1.00 0.00 O ATOM 115 CB GLU A 9 -10.891 10.650 -7.461 1.00 0.00 C ATOM 116 CG GLU A 9 -12.416 10.901 -7.401 1.00 0.00 C ATOM 117 CD GLU A 9 -12.944 11.061 -5.974 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.536 10.279 -5.086 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.772 11.967 -5.732 1.00 0.00 O ATOM 0 H GLU A 9 -11.101 9.701 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.506 12.250 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.721 9.574 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.441 11.067 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.653 11.799 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.934 10.071 -7.882 1.00 0.00 H new ATOM 126 N ALA A 10 -7.957 10.097 -8.497 1.00 0.00 N ATOM 127 CA ALA A 10 -6.510 9.960 -8.182 1.00 0.00 C ATOM 128 C ALA A 10 -5.690 11.024 -8.961 1.00 0.00 C ATOM 129 O ALA A 10 -4.659 11.506 -8.476 1.00 0.00 O ATOM 130 CB ALA A 10 -6.055 8.526 -8.517 1.00 0.00 C ATOM 0 H ALA A 10 -8.410 9.216 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.339 10.135 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.995 8.418 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.628 7.814 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.220 8.330 -9.577 1.00 0.00 H new ATOM 136 N ARG A 11 -6.162 11.368 -10.173 1.00 0.00 N ATOM 137 CA ARG A 11 -5.466 12.312 -11.086 1.00 0.00 C ATOM 138 C ARG A 11 -5.519 13.727 -10.446 1.00 0.00 C ATOM 139 O ARG A 11 -4.482 14.286 -10.069 1.00 0.00 O ATOM 140 CB ARG A 11 -6.126 12.301 -12.495 1.00 0.00 C ATOM 141 CG ARG A 11 -5.819 13.535 -13.374 1.00 0.00 C ATOM 142 CD ARG A 11 -4.413 13.484 -14.004 1.00 0.00 C ATOM 143 NE ARG A 11 -3.858 12.107 -14.002 1.00 0.00 N ATOM 144 CZ ARG A 11 -3.815 11.297 -15.079 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.742 11.366 -16.025 1.00 0.00 N ATOM 146 NH2 ARG A 11 -2.843 10.407 -15.228 1.00 0.00 N ATOM 0 H ARG A 11 -7.036 11.003 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.427 12.011 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.799 11.407 -13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.206 12.222 -12.372 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.565 13.606 -14.166 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.909 14.438 -12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.460 13.856 -15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.744 14.146 -13.454 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.483 11.748 -13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.503 12.040 -15.945 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.693 10.745 -16.833 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.112 10.327 -14.521 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.827 9.802 -16.049 1.00 0.00 H new ATOM 160 N ALA A 12 -6.739 14.288 -10.335 1.00 0.00 N ATOM 161 CA ALA A 12 -6.947 15.678 -9.847 1.00 0.00 C ATOM 162 C ALA A 12 -6.170 15.902 -8.521 1.00 0.00 C ATOM 163 O ALA A 12 -5.725 17.020 -8.233 1.00 0.00 O ATOM 164 CB ALA A 12 -8.457 15.938 -9.676 1.00 0.00 C ATOM 0 H ALA A 12 -7.603 13.802 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.559 16.389 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.613 16.956 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.959 15.809 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.868 15.233 -8.954 1.00 0.00 H new ATOM 170 N PHE A 13 -6.047 14.837 -7.708 1.00 0.00 N ATOM 171 CA PHE A 13 -5.374 14.898 -6.383 1.00 0.00 C ATOM 172 C PHE A 13 -3.846 15.088 -6.584 1.00 0.00 C ATOM 173 O PHE A 13 -3.231 15.959 -5.960 1.00 0.00 O ATOM 174 CB PHE A 13 -5.733 13.618 -5.574 1.00 0.00 C ATOM 175 CG PHE A 13 -4.905 13.399 -4.292 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.624 12.837 -4.366 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.430 13.743 -3.041 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.886 12.614 -3.206 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.690 13.517 -1.882 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.421 12.949 -1.965 1.00 0.00 C ATOM 0 H PHE A 13 -6.407 13.912 -7.943 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.722 15.754 -5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.788 13.663 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.607 12.751 -6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.207 12.575 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.413 14.186 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.899 12.181 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.101 13.782 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.851 12.768 -1.066 1.00 0.00 H new ATOM 190 N LEU A 14 -3.250 14.237 -7.441 1.00 0.00 N ATOM 191 CA LEU A 14 -1.789 14.247 -7.718 1.00 0.00 C ATOM 192 C LEU A 14 -1.534 15.215 -8.905 1.00 0.00 C ATOM 193 O LEU A 14 -1.860 14.903 -10.056 1.00 0.00 O ATOM 194 CB LEU A 14 -1.269 12.809 -8.020 1.00 0.00 C ATOM 195 CG LEU A 14 -1.844 11.644 -7.162 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.698 10.273 -7.853 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.189 11.601 -5.768 1.00 0.00 C ATOM 0 H LEU A 14 -3.760 13.524 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.240 14.594 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.475 12.589 -9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.185 12.811 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.909 11.846 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.115 9.496 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.233 10.285 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.643 10.067 -8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.611 10.777 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.114 11.455 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.377 12.540 -5.248 1.00 0.00 H new ATOM 209 N SER A 15 -0.975 16.401 -8.598 1.00 0.00 N ATOM 210 CA SER A 15 -0.689 17.452 -9.610 1.00 0.00 C ATOM 211 C SER A 15 0.293 16.901 -10.679 1.00 0.00 C ATOM 212 O SER A 15 0.632 15.712 -10.672 1.00 0.00 O ATOM 213 CB SER A 15 -0.141 18.713 -8.902 1.00 0.00 C ATOM 214 OG SER A 15 0.649 18.371 -7.768 1.00 0.00 O ATOM 0 H SER A 15 -0.708 16.663 -7.649 1.00 0.00 H new ATOM 0 HA SER A 15 -1.605 17.736 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.458 19.294 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.971 19.347 -8.591 1.00 0.00 H new ATOM 0 HG SER A 15 0.982 19.189 -7.343 1.00 0.00 H new ATOM 220 N GLU A 16 0.742 17.785 -11.589 1.00 0.00 N ATOM 221 CA GLU A 16 1.690 17.422 -12.676 1.00 0.00 C ATOM 222 C GLU A 16 3.081 17.133 -12.047 1.00 0.00 C ATOM 223 O GLU A 16 3.807 16.245 -12.509 1.00 0.00 O ATOM 224 CB GLU A 16 1.717 18.536 -13.762 1.00 0.00 C ATOM 225 CG GLU A 16 2.831 18.431 -14.830 1.00 0.00 C ATOM 226 CD GLU A 16 2.545 17.412 -15.938 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.742 16.481 -15.710 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.125 17.536 -17.039 1.00 0.00 O ATOM 0 H GLU A 16 0.464 18.766 -11.598 1.00 0.00 H new ATOM 0 HA GLU A 16 1.368 16.516 -13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.754 18.538 -14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.814 19.499 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.978 19.412 -15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.766 18.163 -14.338 1.00 0.00 H new ATOM 235 N GLU A 17 3.429 17.900 -10.993 1.00 0.00 N ATOM 236 CA GLU A 17 4.769 17.823 -10.349 1.00 0.00 C ATOM 237 C GLU A 17 4.815 16.540 -9.475 1.00 0.00 C ATOM 238 O GLU A 17 5.820 15.820 -9.464 1.00 0.00 O ATOM 239 CB GLU A 17 5.086 19.125 -9.555 1.00 0.00 C ATOM 240 CG GLU A 17 6.002 18.972 -8.317 1.00 0.00 C ATOM 241 CD GLU A 17 6.330 20.293 -7.613 1.00 0.00 C ATOM 242 OE1 GLU A 17 7.312 20.961 -8.006 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.606 20.670 -6.665 1.00 0.00 O ATOM 0 H GLU A 17 2.804 18.583 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 17 5.554 17.751 -11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.551 19.836 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.143 19.565 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.522 18.302 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.933 18.496 -8.624 1.00 0.00 H new ATOM 250 N MET A 18 3.714 16.272 -8.748 1.00 0.00 N ATOM 251 CA MET A 18 3.597 15.085 -7.860 1.00 0.00 C ATOM 252 C MET A 18 3.676 13.814 -8.749 1.00 0.00 C ATOM 253 O MET A 18 4.270 12.803 -8.354 1.00 0.00 O ATOM 254 CB MET A 18 2.292 15.132 -7.015 1.00 0.00 C ATOM 255 CG MET A 18 2.365 15.947 -5.710 1.00 0.00 C ATOM 256 SD MET A 18 2.683 14.848 -4.311 1.00 0.00 S ATOM 257 CE MET A 18 2.851 16.035 -2.962 1.00 0.00 C ATOM 0 H MET A 18 2.883 16.863 -8.754 1.00 0.00 H new ATOM 0 HA MET A 18 4.414 15.073 -7.139 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.496 15.545 -7.634 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.006 14.110 -6.767 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.155 16.695 -5.782 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.430 16.485 -5.555 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.050 15.503 -2.032 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.676 16.714 -3.176 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.928 16.606 -2.863 1.00 0.00 H new ATOM 267 N ILE A 19 3.067 13.884 -9.948 1.00 0.00 N ATOM 268 CA ILE A 19 2.951 12.727 -10.875 1.00 0.00 C ATOM 269 C ILE A 19 4.399 12.363 -11.303 1.00 0.00 C ATOM 270 O ILE A 19 4.719 11.183 -11.492 1.00 0.00 O ATOM 271 CB ILE A 19 1.964 13.023 -12.066 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.526 12.468 -11.809 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.499 12.501 -13.427 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.331 12.222 -13.062 1.00 0.00 C ATOM 0 H ILE A 19 2.641 14.739 -10.306 1.00 0.00 H new ATOM 0 HA ILE A 19 2.497 11.862 -10.392 1.00 0.00 H new ATOM 0 HB ILE A 19 1.901 14.110 -12.121 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.612 11.530 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.003 13.168 -11.162 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.780 12.731 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.450 12.983 -13.653 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.643 11.422 -13.372 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.307 11.838 -12.766 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.459 13.159 -13.605 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.165 11.495 -13.705 1.00 0.00 H new ATOM 286 N ALA A 20 5.254 13.387 -11.481 1.00 0.00 N ATOM 287 CA ALA A 20 6.639 13.210 -11.995 1.00 0.00 C ATOM 288 C ALA A 20 7.402 12.163 -11.139 1.00 0.00 C ATOM 289 O ALA A 20 8.198 11.376 -11.666 1.00 0.00 O ATOM 290 CB ALA A 20 7.351 14.578 -11.998 1.00 0.00 C ATOM 0 H ALA A 20 5.014 14.357 -11.276 1.00 0.00 H new ATOM 0 HA ALA A 20 6.614 12.831 -13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.367 14.458 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.806 15.270 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.383 14.974 -10.983 1.00 0.00 H new ATOM 296 N GLU A 21 7.170 12.190 -9.814 1.00 0.00 N ATOM 297 CA GLU A 21 7.900 11.331 -8.844 1.00 0.00 C ATOM 298 C GLU A 21 7.676 9.846 -9.238 1.00 0.00 C ATOM 299 O GLU A 21 8.615 9.042 -9.246 1.00 0.00 O ATOM 300 CB GLU A 21 7.456 11.664 -7.390 1.00 0.00 C ATOM 301 CG GLU A 21 7.371 13.164 -7.020 1.00 0.00 C ATOM 302 CD GLU A 21 7.547 13.453 -5.526 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.699 13.648 -5.078 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.534 13.485 -4.792 1.00 0.00 O ATOM 0 H GLU A 21 6.478 12.801 -9.381 1.00 0.00 H new ATOM 0 HA GLU A 21 8.972 11.523 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.477 11.215 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.151 11.182 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.135 13.708 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.405 13.552 -7.342 1.00 0.00 H new ATOM 311 N PHE A 22 6.410 9.495 -9.533 1.00 0.00 N ATOM 312 CA PHE A 22 6.001 8.105 -9.867 1.00 0.00 C ATOM 313 C PHE A 22 6.441 7.774 -11.320 1.00 0.00 C ATOM 314 O PHE A 22 6.625 6.596 -11.659 1.00 0.00 O ATOM 315 CB PHE A 22 4.465 7.928 -9.666 1.00 0.00 C ATOM 316 CG PHE A 22 3.994 7.906 -8.197 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.904 9.098 -7.467 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.676 6.695 -7.571 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.555 9.072 -6.119 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.329 6.672 -6.222 1.00 0.00 C ATOM 321 CZ PHE A 22 3.295 7.857 -5.491 1.00 0.00 C ATOM 0 H PHE A 22 5.638 10.161 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 22 6.494 7.402 -9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.951 8.738 -10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.157 6.998 -10.144 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.106 10.042 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.700 5.775 -8.136 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.486 9.994 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.086 5.735 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.067 7.833 -4.436 1.00 0.00 H new ATOM 331 N LYS A 23 6.576 8.805 -12.173 1.00 0.00 N ATOM 332 CA LYS A 23 6.876 8.644 -13.622 1.00 0.00 C ATOM 333 C LYS A 23 8.137 7.748 -13.758 1.00 0.00 C ATOM 334 O LYS A 23 8.191 6.860 -14.619 1.00 0.00 O ATOM 335 CB LYS A 23 7.093 10.022 -14.315 1.00 0.00 C ATOM 336 CG LYS A 23 6.053 10.449 -15.379 1.00 0.00 C ATOM 337 CD LYS A 23 6.444 10.123 -16.836 1.00 0.00 C ATOM 338 CE LYS A 23 6.019 11.222 -17.825 1.00 0.00 C ATOM 339 NZ LYS A 23 5.766 10.672 -19.168 1.00 0.00 N ATOM 0 H LYS A 23 6.481 9.779 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 23 6.028 8.174 -14.121 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.119 10.789 -13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.075 10.012 -14.787 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.104 9.962 -15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.888 11.523 -15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.523 9.984 -16.896 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.984 9.179 -17.129 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.119 11.715 -17.457 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.798 11.982 -17.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.482 11.440 -19.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.632 10.223 -19.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.005 9.965 -19.116 1.00 0.00 H new ATOM 353 N ALA A 24 9.156 8.015 -12.920 1.00 0.00 N ATOM 354 CA ALA A 24 10.471 7.324 -12.996 1.00 0.00 C ATOM 355 C ALA A 24 10.272 5.789 -12.856 1.00 0.00 C ATOM 356 O ALA A 24 10.653 5.014 -13.742 1.00 0.00 O ATOM 357 CB ALA A 24 11.400 7.886 -11.902 1.00 0.00 C ATOM 0 H ALA A 24 9.099 8.709 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 24 10.937 7.504 -13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.366 7.384 -11.952 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.539 8.956 -12.057 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.953 7.716 -10.923 1.00 0.00 H new ATOM 363 N ALA A 25 9.685 5.369 -11.720 1.00 0.00 N ATOM 364 CA ALA A 25 9.445 3.933 -11.412 1.00 0.00 C ATOM 365 C ALA A 25 8.604 3.269 -12.537 1.00 0.00 C ATOM 366 O ALA A 25 8.745 2.068 -12.800 1.00 0.00 O ATOM 367 CB ALA A 25 8.752 3.826 -10.039 1.00 0.00 C ATOM 0 H ALA A 25 9.363 6.004 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 25 10.393 3.398 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.571 2.777 -9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.392 4.265 -9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.802 4.360 -10.068 1.00 0.00 H new ATOM 373 N PHE A 26 7.720 4.064 -13.175 1.00 0.00 N ATOM 374 CA PHE A 26 6.767 3.549 -14.197 1.00 0.00 C ATOM 375 C PHE A 26 7.594 2.909 -15.346 1.00 0.00 C ATOM 376 O PHE A 26 7.263 1.821 -15.831 1.00 0.00 O ATOM 377 CB PHE A 26 5.818 4.670 -14.716 1.00 0.00 C ATOM 378 CG PHE A 26 4.602 4.164 -15.530 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.799 3.396 -16.683 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.298 4.450 -15.109 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.706 2.920 -17.404 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.208 3.977 -15.836 1.00 0.00 C ATOM 383 CZ PHE A 26 2.413 3.234 -16.996 1.00 0.00 C ATOM 0 H PHE A 26 7.642 5.067 -13.005 1.00 0.00 H new ATOM 0 HA PHE A 26 6.118 2.795 -13.751 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.454 5.242 -13.863 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.394 5.356 -15.338 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.802 3.171 -17.015 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.137 5.039 -14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.862 2.307 -18.280 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.203 4.187 -15.500 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.567 2.901 -17.580 1.00 0.00 H new ATOM 393 N ASP A 27 8.649 3.618 -15.788 1.00 0.00 N ATOM 394 CA ASP A 27 9.485 3.194 -16.943 1.00 0.00 C ATOM 395 C ASP A 27 10.210 1.871 -16.574 1.00 0.00 C ATOM 396 O ASP A 27 10.341 0.972 -17.413 1.00 0.00 O ATOM 397 CB ASP A 27 10.470 4.316 -17.382 1.00 0.00 C ATOM 398 CG ASP A 27 11.118 4.143 -18.767 1.00 0.00 C ATOM 399 OD1 ASP A 27 10.542 3.434 -19.621 1.00 0.00 O ATOM 400 OD2 ASP A 27 12.202 4.721 -19.003 1.00 0.00 O ATOM 0 H ASP A 27 8.950 4.495 -15.363 1.00 0.00 H new ATOM 0 HA ASP A 27 8.849 3.012 -17.809 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.936 5.266 -17.369 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.264 4.386 -16.638 1.00 0.00 H new ATOM 405 N MET A 28 10.673 1.773 -15.311 1.00 0.00 N ATOM 406 CA MET A 28 11.352 0.555 -14.792 1.00 0.00 C ATOM 407 C MET A 28 10.459 -0.667 -15.138 1.00 0.00 C ATOM 408 O MET A 28 10.880 -1.571 -15.869 1.00 0.00 O ATOM 409 CB MET A 28 11.642 0.657 -13.267 1.00 0.00 C ATOM 410 CG MET A 28 11.536 -0.659 -12.473 1.00 0.00 C ATOM 411 SD MET A 28 11.498 -0.311 -10.700 1.00 0.00 S ATOM 412 CE MET A 28 12.860 0.862 -10.541 1.00 0.00 C ATOM 0 H MET A 28 10.591 2.523 -14.625 1.00 0.00 H new ATOM 0 HA MET A 28 12.328 0.443 -15.264 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.646 1.059 -13.134 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.950 1.378 -12.832 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.635 -1.198 -12.765 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.383 -1.304 -12.707 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.167 0.923 -9.497 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.701 0.527 -11.148 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.535 1.845 -10.882 1.00 0.00 H new ATOM 422 N PHE A 29 9.231 -0.686 -14.583 1.00 0.00 N ATOM 423 CA PHE A 29 8.299 -1.837 -14.728 1.00 0.00 C ATOM 424 C PHE A 29 8.079 -2.103 -16.242 1.00 0.00 C ATOM 425 O PHE A 29 7.890 -3.252 -16.660 1.00 0.00 O ATOM 426 CB PHE A 29 6.959 -1.570 -13.981 1.00 0.00 C ATOM 427 CG PHE A 29 7.050 -1.582 -12.442 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.310 -2.777 -11.760 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.889 -0.398 -11.711 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.423 -2.783 -10.371 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.001 -0.408 -10.323 1.00 0.00 C ATOM 432 CZ PHE A 29 7.273 -1.598 -9.655 1.00 0.00 C ATOM 0 H PHE A 29 8.855 0.082 -14.027 1.00 0.00 H new ATOM 0 HA PHE A 29 8.731 -2.727 -14.270 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.572 -0.602 -14.298 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.233 -2.321 -14.292 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.423 -3.698 -12.313 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.677 0.527 -12.226 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.627 -3.707 -9.850 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.877 0.508 -9.765 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.368 -1.603 -8.579 1.00 0.00 H new ATOM 442 N ASP A 30 8.078 -1.024 -17.047 1.00 0.00 N ATOM 443 CA ASP A 30 7.848 -1.104 -18.514 1.00 0.00 C ATOM 444 C ASP A 30 9.002 -1.922 -19.154 1.00 0.00 C ATOM 445 O ASP A 30 10.138 -1.903 -18.663 1.00 0.00 O ATOM 446 CB ASP A 30 7.691 0.309 -19.148 1.00 0.00 C ATOM 447 CG ASP A 30 7.680 0.363 -20.686 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.590 0.246 -21.288 1.00 0.00 O ATOM 449 OD2 ASP A 30 8.761 0.529 -21.293 1.00 0.00 O ATOM 0 H ASP A 30 8.235 -0.075 -16.708 1.00 0.00 H new ATOM 0 HA ASP A 30 6.907 -1.617 -18.711 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.763 0.748 -18.783 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.505 0.939 -18.788 1.00 0.00 H new ATOM 454 N ALA A 31 8.700 -2.614 -20.269 1.00 0.00 N ATOM 455 CA ALA A 31 9.690 -3.448 -21.001 1.00 0.00 C ATOM 456 C ALA A 31 9.656 -3.108 -22.517 1.00 0.00 C ATOM 457 O ALA A 31 10.705 -2.952 -23.152 1.00 0.00 O ATOM 458 CB ALA A 31 9.387 -4.936 -20.739 1.00 0.00 C ATOM 0 H ALA A 31 7.771 -2.615 -20.691 1.00 0.00 H new ATOM 0 HA ALA A 31 10.698 -3.236 -20.644 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.109 -5.554 -21.273 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.456 -5.139 -19.670 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.381 -5.170 -21.088 1.00 0.00 H new ATOM 464 N ASP A 32 8.434 -2.998 -23.074 1.00 0.00 N ATOM 465 CA ASP A 32 8.219 -2.777 -24.529 1.00 0.00 C ATOM 466 C ASP A 32 8.277 -1.252 -24.814 1.00 0.00 C ATOM 467 O ASP A 32 8.969 -0.805 -25.737 1.00 0.00 O ATOM 468 CB ASP A 32 6.895 -3.429 -25.026 1.00 0.00 C ATOM 469 CG ASP A 32 5.702 -3.362 -24.057 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.118 -2.268 -23.890 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.343 -4.405 -23.468 1.00 0.00 O ATOM 0 H ASP A 32 7.569 -3.059 -22.537 1.00 0.00 H new ATOM 0 HA ASP A 32 9.011 -3.269 -25.093 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.605 -2.948 -25.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.093 -4.476 -25.254 1.00 0.00 H new ATOM 476 N GLY A 33 7.561 -0.461 -23.992 1.00 0.00 N ATOM 477 CA GLY A 33 7.547 1.022 -24.107 1.00 0.00 C ATOM 478 C GLY A 33 6.453 1.508 -25.094 1.00 0.00 C ATOM 479 O GLY A 33 6.740 1.844 -26.250 1.00 0.00 O ATOM 0 H GLY A 33 6.980 -0.821 -23.235 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.373 1.462 -23.125 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.523 1.371 -24.444 1.00 0.00 H new ATOM 483 N GLY A 34 5.196 1.570 -24.610 1.00 0.00 N ATOM 484 CA GLY A 34 4.054 2.087 -25.406 1.00 0.00 C ATOM 485 C GLY A 34 3.293 3.176 -24.608 1.00 0.00 C ATOM 486 O GLY A 34 2.860 4.192 -25.166 1.00 0.00 O ATOM 0 H GLY A 34 4.941 1.269 -23.669 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.416 2.502 -26.347 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.377 1.270 -25.657 1.00 0.00 H new ATOM 490 N GLY A 35 3.111 2.934 -23.294 1.00 0.00 N ATOM 491 CA GLY A 35 2.331 3.835 -22.410 1.00 0.00 C ATOM 492 C GLY A 35 1.696 3.029 -21.248 1.00 0.00 C ATOM 493 O GLY A 35 1.607 3.517 -20.114 1.00 0.00 O ATOM 0 H GLY A 35 3.494 2.119 -22.816 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.980 4.614 -22.010 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.551 4.334 -22.985 1.00 0.00 H new ATOM 497 N ASP A 36 1.286 1.780 -21.545 1.00 0.00 N ATOM 498 CA ASP A 36 0.603 0.890 -20.570 1.00 0.00 C ATOM 499 C ASP A 36 1.528 -0.321 -20.268 1.00 0.00 C ATOM 500 O ASP A 36 2.408 -0.657 -21.069 1.00 0.00 O ATOM 501 CB ASP A 36 -0.805 0.458 -21.074 1.00 0.00 C ATOM 502 CG ASP A 36 -1.439 1.349 -22.156 1.00 0.00 C ATOM 503 OD1 ASP A 36 -2.118 2.338 -21.802 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.265 1.058 -23.360 1.00 0.00 O ATOM 0 H ASP A 36 1.416 1.356 -22.463 1.00 0.00 H new ATOM 0 HA ASP A 36 0.425 1.432 -19.641 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.733 -0.557 -21.464 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.480 0.424 -20.219 1.00 0.00 H new ATOM 509 N ILE A 37 1.333 -0.946 -19.091 1.00 0.00 N ATOM 510 CA ILE A 37 2.126 -2.120 -18.637 1.00 0.00 C ATOM 511 C ILE A 37 1.368 -3.423 -19.011 1.00 0.00 C ATOM 512 O ILE A 37 0.269 -3.378 -19.581 1.00 0.00 O ATOM 513 CB ILE A 37 2.531 -2.068 -17.117 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.517 -0.648 -16.468 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.879 -2.794 -16.873 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.520 -0.423 -15.325 1.00 0.00 C ATOM 0 H ILE A 37 0.621 -0.655 -18.422 1.00 0.00 H new ATOM 0 HA ILE A 37 3.081 -2.099 -19.162 1.00 0.00 H new ATOM 0 HB ILE A 37 1.736 -2.606 -16.600 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.712 0.089 -17.247 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.514 -0.453 -16.089 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.134 -2.742 -15.814 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.790 -3.838 -17.174 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.662 -2.313 -17.459 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.422 0.596 -14.950 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.317 -1.127 -14.518 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.534 -0.578 -15.695 1.00 0.00 H new ATOM 528 N SER A 38 1.954 -4.583 -18.659 1.00 0.00 N ATOM 529 CA SER A 38 1.306 -5.909 -18.849 1.00 0.00 C ATOM 530 C SER A 38 1.857 -6.917 -17.803 1.00 0.00 C ATOM 531 O SER A 38 2.475 -6.520 -16.809 1.00 0.00 O ATOM 532 CB SER A 38 1.526 -6.387 -20.302 1.00 0.00 C ATOM 533 OG SER A 38 0.317 -6.870 -20.880 1.00 0.00 O ATOM 0 H SER A 38 2.882 -4.636 -18.238 1.00 0.00 H new ATOM 0 HA SER A 38 0.231 -5.832 -18.688 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.914 -5.564 -20.902 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.278 -7.175 -20.317 1.00 0.00 H new ATOM 0 HG SER A 38 0.488 -7.163 -21.799 1.00 0.00 H new ATOM 539 N THR A 39 1.621 -8.219 -18.052 1.00 0.00 N ATOM 540 CA THR A 39 2.073 -9.320 -17.161 1.00 0.00 C ATOM 541 C THR A 39 3.538 -9.686 -17.521 1.00 0.00 C ATOM 542 O THR A 39 4.383 -9.855 -16.631 1.00 0.00 O ATOM 543 CB THR A 39 1.113 -10.551 -17.215 1.00 0.00 C ATOM 544 OG1 THR A 39 0.511 -10.663 -18.503 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.011 -10.553 -16.163 1.00 0.00 C ATOM 0 H THR A 39 1.112 -8.544 -18.874 1.00 0.00 H new ATOM 0 HA THR A 39 2.043 -8.981 -16.125 1.00 0.00 H new ATOM 0 HB THR A 39 1.758 -11.401 -16.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.086 -11.440 -18.519 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.621 -11.448 -16.284 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.425 -10.544 -15.164 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.634 -9.668 -16.295 1.00 0.00 H new ATOM 553 N LYS A 40 3.827 -9.807 -18.830 1.00 0.00 N ATOM 554 CA LYS A 40 5.183 -10.155 -19.332 1.00 0.00 C ATOM 555 C LYS A 40 6.190 -9.088 -18.821 1.00 0.00 C ATOM 556 O LYS A 40 7.333 -9.412 -18.478 1.00 0.00 O ATOM 557 CB LYS A 40 5.139 -10.286 -20.882 1.00 0.00 C ATOM 558 CG LYS A 40 6.423 -10.814 -21.571 1.00 0.00 C ATOM 559 CD LYS A 40 6.921 -10.113 -22.859 1.00 0.00 C ATOM 560 CE LYS A 40 5.845 -9.483 -23.768 1.00 0.00 C ATOM 561 NZ LYS A 40 5.254 -10.427 -24.733 1.00 0.00 N ATOM 0 H LYS A 40 3.138 -9.669 -19.570 1.00 0.00 H new ATOM 0 HA LYS A 40 5.520 -11.120 -18.952 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.314 -10.949 -21.145 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.906 -9.307 -21.300 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.230 -10.773 -20.840 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.261 -11.865 -21.809 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.623 -9.330 -22.570 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.480 -10.841 -23.448 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.052 -9.071 -23.144 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.287 -8.649 -24.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.541 -9.935 -25.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.000 -10.802 -25.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.803 -11.211 -24.220 1.00 0.00 H new ATOM 575 N GLU A 41 5.746 -7.818 -18.783 1.00 0.00 N ATOM 576 CA GLU A 41 6.614 -6.665 -18.426 1.00 0.00 C ATOM 577 C GLU A 41 6.960 -6.739 -16.914 1.00 0.00 C ATOM 578 O GLU A 41 8.137 -6.764 -16.535 1.00 0.00 O ATOM 579 CB GLU A 41 5.949 -5.315 -18.824 1.00 0.00 C ATOM 580 CG GLU A 41 5.290 -5.221 -20.222 1.00 0.00 C ATOM 581 CD GLU A 41 4.753 -3.829 -20.572 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.292 -2.826 -20.054 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.790 -3.733 -21.364 1.00 0.00 O ATOM 0 H GLU A 41 4.783 -7.556 -18.996 1.00 0.00 H new ATOM 0 HA GLU A 41 7.545 -6.717 -18.990 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.188 -5.083 -18.079 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.708 -4.535 -18.758 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.020 -5.516 -20.976 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.470 -5.938 -20.274 1.00 0.00 H new ATOM 590 N LEU A 42 5.917 -6.744 -16.064 1.00 0.00 N ATOM 591 CA LEU A 42 6.071 -6.701 -14.585 1.00 0.00 C ATOM 592 C LEU A 42 7.043 -7.838 -14.169 1.00 0.00 C ATOM 593 O LEU A 42 7.822 -7.691 -13.220 1.00 0.00 O ATOM 594 CB LEU A 42 4.688 -6.833 -13.878 1.00 0.00 C ATOM 595 CG LEU A 42 4.322 -5.755 -12.816 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.798 -5.607 -12.625 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.993 -6.056 -11.461 1.00 0.00 C ATOM 0 H LEU A 42 4.946 -6.778 -16.374 1.00 0.00 H new ATOM 0 HA LEU A 42 6.485 -5.741 -14.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.915 -6.826 -14.646 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.648 -7.809 -13.395 1.00 0.00 H new ATOM 0 HG LEU A 42 4.702 -4.808 -13.199 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.598 -4.843 -11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.339 -5.316 -13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.379 -6.558 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.719 -5.286 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.660 -7.028 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.076 -6.067 -11.586 1.00 0.00 H new ATOM 609 N GLY A 43 6.961 -8.983 -14.874 1.00 0.00 N ATOM 610 CA GLY A 43 7.740 -10.200 -14.533 1.00 0.00 C ATOM 611 C GLY A 43 9.256 -9.876 -14.477 1.00 0.00 C ATOM 612 O GLY A 43 9.951 -10.272 -13.531 1.00 0.00 O ATOM 0 H GLY A 43 6.360 -9.095 -15.690 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.410 -10.593 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.555 -10.977 -15.275 1.00 0.00 H new ATOM 616 N THR A 44 9.749 -9.155 -15.501 1.00 0.00 N ATOM 617 CA THR A 44 11.196 -8.853 -15.659 1.00 0.00 C ATOM 618 C THR A 44 11.691 -8.095 -14.396 1.00 0.00 C ATOM 619 O THR A 44 12.721 -8.450 -13.811 1.00 0.00 O ATOM 620 CB THR A 44 11.491 -8.078 -16.982 1.00 0.00 C ATOM 621 OG1 THR A 44 11.826 -8.983 -18.031 1.00 0.00 O ATOM 622 CG2 THR A 44 12.609 -7.023 -16.888 1.00 0.00 C ATOM 0 H THR A 44 9.165 -8.765 -16.241 1.00 0.00 H new ATOM 0 HA THR A 44 11.753 -9.786 -15.745 1.00 0.00 H new ATOM 0 HB THR A 44 10.564 -7.542 -17.189 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.006 -8.480 -18.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.737 -6.541 -17.857 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.341 -6.274 -16.143 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.542 -7.506 -16.597 1.00 0.00 H new ATOM 630 N VAL A 45 10.956 -7.034 -14.014 1.00 0.00 N ATOM 631 CA VAL A 45 11.341 -6.130 -12.896 1.00 0.00 C ATOM 632 C VAL A 45 11.428 -6.993 -11.608 1.00 0.00 C ATOM 633 O VAL A 45 12.300 -6.770 -10.758 1.00 0.00 O ATOM 634 CB VAL A 45 10.370 -4.902 -12.771 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.919 -4.593 -11.322 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.962 -3.606 -13.377 1.00 0.00 C ATOM 0 H VAL A 45 10.079 -6.773 -14.466 1.00 0.00 H new ATOM 0 HA VAL A 45 12.315 -5.678 -13.083 1.00 0.00 H new ATOM 0 HB VAL A 45 9.497 -5.215 -13.343 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.251 -3.732 -11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.396 -5.457 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.792 -4.373 -10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.247 -2.791 -13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.888 -3.353 -12.860 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.168 -3.761 -14.436 1.00 0.00 H new ATOM 646 N MET A 46 10.504 -7.961 -11.468 1.00 0.00 N ATOM 647 CA MET A 46 10.407 -8.827 -10.263 1.00 0.00 C ATOM 648 C MET A 46 11.743 -9.607 -10.129 1.00 0.00 C ATOM 649 O MET A 46 12.208 -9.877 -9.016 1.00 0.00 O ATOM 650 CB MET A 46 9.176 -9.773 -10.340 1.00 0.00 C ATOM 651 CG MET A 46 7.815 -9.135 -10.004 1.00 0.00 C ATOM 652 SD MET A 46 6.665 -10.400 -9.420 1.00 0.00 S ATOM 653 CE MET A 46 6.663 -10.083 -7.643 1.00 0.00 C ATOM 0 H MET A 46 9.803 -8.170 -12.179 1.00 0.00 H new ATOM 0 HA MET A 46 10.253 -8.218 -9.372 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.123 -10.187 -11.347 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.341 -10.609 -9.660 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.943 -8.368 -9.240 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.408 -8.642 -10.887 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.996 -10.789 -7.148 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.673 -10.202 -7.251 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.319 -9.066 -7.455 1.00 0.00 H new ATOM 663 N ARG A 47 12.329 -9.985 -11.280 1.00 0.00 N ATOM 664 CA ARG A 47 13.580 -10.787 -11.333 1.00 0.00 C ATOM 665 C ARG A 47 14.702 -10.021 -10.579 1.00 0.00 C ATOM 666 O ARG A 47 15.510 -10.630 -9.868 1.00 0.00 O ATOM 667 CB ARG A 47 13.984 -11.073 -12.806 1.00 0.00 C ATOM 668 CG ARG A 47 14.883 -12.316 -13.004 1.00 0.00 C ATOM 669 CD ARG A 47 15.930 -12.137 -14.121 1.00 0.00 C ATOM 670 NE ARG A 47 16.450 -13.438 -14.615 1.00 0.00 N ATOM 671 CZ ARG A 47 17.707 -13.651 -15.058 1.00 0.00 C ATOM 672 NH1 ARG A 47 18.651 -12.712 -15.107 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.022 -14.866 -15.468 1.00 0.00 N ATOM 0 H ARG A 47 11.956 -9.748 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 47 13.420 -11.750 -10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.078 -11.200 -13.398 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.503 -10.200 -13.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.395 -12.539 -12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.256 -13.176 -13.237 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.484 -11.587 -14.950 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.758 -11.535 -13.748 1.00 0.00 H new ATOM 0 HE ARG A 47 15.808 -14.231 -14.620 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.443 -11.763 -14.798 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.582 -12.943 -15.454 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.324 -15.609 -15.444 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.963 -15.061 -15.809 1.00 0.00 H new ATOM 687 N MET A 48 14.729 -8.684 -10.751 1.00 0.00 N ATOM 688 CA MET A 48 15.801 -7.820 -10.187 1.00 0.00 C ATOM 689 C MET A 48 15.910 -8.134 -8.669 1.00 0.00 C ATOM 690 O MET A 48 17.010 -8.136 -8.103 1.00 0.00 O ATOM 691 CB MET A 48 15.537 -6.312 -10.457 1.00 0.00 C ATOM 692 CG MET A 48 14.896 -5.525 -9.298 1.00 0.00 C ATOM 693 SD MET A 48 16.156 -4.568 -8.427 1.00 0.00 S ATOM 694 CE MET A 48 15.677 -2.881 -8.855 1.00 0.00 C ATOM 0 H MET A 48 14.021 -8.172 -11.277 1.00 0.00 H new ATOM 0 HA MET A 48 16.750 -8.037 -10.678 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.484 -5.837 -10.714 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.891 -6.226 -11.330 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.124 -4.859 -9.683 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.408 -6.213 -8.607 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.366 -2.177 -8.387 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.711 -2.757 -9.937 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.665 -2.689 -8.499 1.00 0.00 H new ATOM 704 N LEU A 49 14.759 -8.413 -8.029 1.00 0.00 N ATOM 705 CA LEU A 49 14.679 -8.646 -6.563 1.00 0.00 C ATOM 706 C LEU A 49 15.546 -9.889 -6.227 1.00 0.00 C ATOM 707 O LEU A 49 16.642 -9.771 -5.666 1.00 0.00 O ATOM 708 CB LEU A 49 13.200 -8.831 -6.108 1.00 0.00 C ATOM 709 CG LEU A 49 12.234 -7.625 -6.304 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.107 -7.592 -5.252 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.002 -6.288 -6.293 1.00 0.00 C ATOM 0 H LEU A 49 13.860 -8.484 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 49 15.061 -7.781 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.787 -9.685 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.203 -9.092 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 49 11.770 -7.762 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.463 -6.732 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.518 -8.507 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.542 -7.514 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.301 -5.465 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.515 -6.171 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.734 -6.282 -7.101 1.00 0.00 H new ATOM 723 N GLY A 50 15.023 -11.089 -6.552 1.00 0.00 N ATOM 724 CA GLY A 50 15.679 -12.373 -6.199 1.00 0.00 C ATOM 725 C GLY A 50 15.342 -13.457 -7.256 1.00 0.00 C ATOM 726 O GLY A 50 16.044 -13.591 -8.267 1.00 0.00 O ATOM 0 H GLY A 50 14.145 -11.200 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.759 -12.234 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.347 -12.700 -5.214 1.00 0.00 H new ATOM 730 N GLN A 51 14.249 -14.206 -7.015 1.00 0.00 N ATOM 731 CA GLN A 51 13.772 -15.279 -7.927 1.00 0.00 C ATOM 732 C GLN A 51 12.998 -14.613 -9.097 1.00 0.00 C ATOM 733 O GLN A 51 13.038 -13.388 -9.264 1.00 0.00 O ATOM 734 CB GLN A 51 12.905 -16.307 -7.146 1.00 0.00 C ATOM 735 CG GLN A 51 13.550 -16.923 -5.880 1.00 0.00 C ATOM 736 CD GLN A 51 13.396 -16.071 -4.608 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.286 -15.754 -4.182 1.00 0.00 O ATOM 738 NE2 GLN A 51 14.495 -15.688 -3.975 1.00 0.00 N ATOM 0 H GLN A 51 13.668 -14.089 -6.185 1.00 0.00 H new ATOM 0 HA GLN A 51 14.611 -15.838 -8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.975 -15.819 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.640 -17.118 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.107 -17.903 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.612 -17.083 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 51 15.411 -15.956 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.425 -15.126 -3.127 1.00 0.00 H new ATOM 747 N ASN A 52 12.272 -15.433 -9.880 1.00 0.00 N ATOM 748 CA ASN A 52 11.414 -14.945 -10.992 1.00 0.00 C ATOM 749 C ASN A 52 10.183 -15.900 -11.201 1.00 0.00 C ATOM 750 O ASN A 52 10.332 -16.892 -11.924 1.00 0.00 O ATOM 751 CB ASN A 52 12.283 -14.812 -12.273 1.00 0.00 C ATOM 752 CG ASN A 52 11.685 -13.908 -13.372 1.00 0.00 C ATOM 753 OD1 ASN A 52 10.905 -12.997 -13.094 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.027 -14.141 -14.630 1.00 0.00 N ATOM 0 H ASN A 52 12.259 -16.447 -9.766 1.00 0.00 H new ATOM 0 HA ASN A 52 11.006 -13.964 -10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.261 -14.420 -11.992 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.446 -15.806 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.643 -13.563 -15.378 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.674 -14.898 -14.851 1.00 0.00 H new ATOM 761 N PRO A 53 8.972 -15.657 -10.608 1.00 0.00 N ATOM 762 CA PRO A 53 7.759 -16.472 -10.868 1.00 0.00 C ATOM 763 C PRO A 53 7.566 -16.768 -12.382 1.00 0.00 C ATOM 764 O PRO A 53 8.128 -16.075 -13.238 1.00 0.00 O ATOM 765 CB PRO A 53 6.643 -15.603 -10.254 1.00 0.00 C ATOM 766 CG PRO A 53 7.302 -14.748 -9.170 1.00 0.00 C ATOM 767 CD PRO A 53 8.740 -14.554 -9.645 1.00 0.00 C ATOM 0 HA PRO A 53 7.792 -17.471 -10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.179 -14.975 -11.014 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.855 -16.226 -9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.791 -13.792 -9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.270 -15.245 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.873 -13.581 -10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.442 -14.602 -8.812 1.00 0.00 H new ATOM 775 N THR A 54 6.741 -17.786 -12.691 1.00 0.00 N ATOM 776 CA THR A 54 6.445 -18.198 -14.089 1.00 0.00 C ATOM 777 C THR A 54 5.307 -17.299 -14.647 1.00 0.00 C ATOM 778 O THR A 54 4.694 -16.520 -13.907 1.00 0.00 O ATOM 779 CB THR A 54 6.117 -19.721 -14.196 1.00 0.00 C ATOM 780 OG1 THR A 54 6.549 -20.242 -15.451 1.00 0.00 O ATOM 781 CG2 THR A 54 4.632 -20.086 -14.015 1.00 0.00 C ATOM 0 H THR A 54 6.260 -18.347 -11.988 1.00 0.00 H new ATOM 0 HA THR A 54 7.335 -18.055 -14.702 1.00 0.00 H new ATOM 0 HB THR A 54 6.659 -20.169 -13.363 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.337 -21.198 -15.499 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.509 -21.165 -14.107 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.296 -19.765 -13.029 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.039 -19.587 -14.781 1.00 0.00 H new ATOM 789 N LYS A 55 5.019 -17.444 -15.955 1.00 0.00 N ATOM 790 CA LYS A 55 4.011 -16.608 -16.661 1.00 0.00 C ATOM 791 C LYS A 55 2.670 -16.710 -15.885 1.00 0.00 C ATOM 792 O LYS A 55 1.918 -15.730 -15.796 1.00 0.00 O ATOM 793 CB LYS A 55 3.876 -17.051 -18.150 1.00 0.00 C ATOM 794 CG LYS A 55 4.410 -18.448 -18.548 1.00 0.00 C ATOM 795 CD LYS A 55 5.935 -18.527 -18.787 1.00 0.00 C ATOM 796 CE LYS A 55 6.719 -17.264 -18.379 1.00 0.00 C ATOM 797 NZ LYS A 55 7.173 -16.460 -19.530 1.00 0.00 N ATOM 0 H LYS A 55 5.470 -18.136 -16.553 1.00 0.00 H new ATOM 0 HA LYS A 55 4.323 -15.564 -16.683 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.820 -17.010 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.388 -16.311 -18.765 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.144 -19.158 -17.764 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.899 -18.769 -19.456 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.332 -19.378 -18.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.113 -18.723 -19.844 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.090 -16.646 -17.739 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.585 -17.558 -17.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.693 -15.627 -19.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.798 -17.035 -20.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.349 -16.151 -20.084 1.00 0.00 H new ATOM 811 N GLU A 56 2.383 -17.902 -15.329 1.00 0.00 N ATOM 812 CA GLU A 56 1.093 -18.192 -14.649 1.00 0.00 C ATOM 813 C GLU A 56 1.086 -17.458 -13.280 1.00 0.00 C ATOM 814 O GLU A 56 0.060 -16.908 -12.863 1.00 0.00 O ATOM 815 CB GLU A 56 0.876 -19.728 -14.534 1.00 0.00 C ATOM 816 CG GLU A 56 0.225 -20.427 -15.751 1.00 0.00 C ATOM 817 CD GLU A 56 -1.255 -20.775 -15.558 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.903 -20.185 -14.665 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.774 -21.641 -16.296 1.00 0.00 O ATOM 0 H GLU A 56 3.030 -18.691 -15.335 1.00 0.00 H new ATOM 0 HA GLU A 56 0.249 -17.819 -15.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.843 -20.196 -14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.256 -19.920 -13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.324 -19.780 -16.623 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.776 -21.342 -15.968 1.00 0.00 H new ATOM 826 N GLU A 57 2.244 -17.464 -12.594 1.00 0.00 N ATOM 827 CA GLU A 57 2.391 -16.851 -11.246 1.00 0.00 C ATOM 828 C GLU A 57 2.077 -15.333 -11.345 1.00 0.00 C ATOM 829 O GLU A 57 1.514 -14.742 -10.416 1.00 0.00 O ATOM 830 CB GLU A 57 3.797 -17.136 -10.643 1.00 0.00 C ATOM 831 CG GLU A 57 4.228 -18.615 -10.487 1.00 0.00 C ATOM 832 CD GLU A 57 3.898 -19.226 -9.122 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.714 -19.541 -8.870 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.822 -19.396 -8.295 1.00 0.00 O ATOM 0 H GLU A 57 3.101 -17.888 -12.948 1.00 0.00 H new ATOM 0 HA GLU A 57 1.678 -17.303 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.537 -16.635 -11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.841 -16.669 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.743 -19.207 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.303 -18.688 -10.655 1.00 0.00 H new ATOM 841 N LEU A 58 2.464 -14.715 -12.477 1.00 0.00 N ATOM 842 CA LEU A 58 2.256 -13.263 -12.721 1.00 0.00 C ATOM 843 C LEU A 58 0.740 -13.004 -12.941 1.00 0.00 C ATOM 844 O LEU A 58 0.216 -11.956 -12.545 1.00 0.00 O ATOM 845 CB LEU A 58 3.150 -12.825 -13.917 1.00 0.00 C ATOM 846 CG LEU A 58 4.652 -12.566 -13.608 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.535 -13.037 -14.781 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.957 -11.088 -13.285 1.00 0.00 C ATOM 0 H LEU A 58 2.927 -15.198 -13.247 1.00 0.00 H new ATOM 0 HA LEU A 58 2.556 -12.657 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.089 -13.594 -14.687 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.728 -11.914 -14.342 1.00 0.00 H new ATOM 0 HG LEU A 58 4.885 -13.145 -12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.583 -12.848 -14.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.386 -14.105 -14.942 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.261 -12.492 -15.684 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.021 -10.973 -13.079 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.683 -10.465 -14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.383 -10.780 -12.411 1.00 0.00 H new ATOM 860 N ASP A 59 0.056 -13.975 -13.574 1.00 0.00 N ATOM 861 CA ASP A 59 -1.399 -13.890 -13.866 1.00 0.00 C ATOM 862 C ASP A 59 -2.168 -13.725 -12.527 1.00 0.00 C ATOM 863 O ASP A 59 -3.231 -13.095 -12.484 1.00 0.00 O ATOM 864 CB ASP A 59 -1.890 -15.114 -14.693 1.00 0.00 C ATOM 865 CG ASP A 59 -3.356 -15.071 -15.158 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.263 -15.298 -14.327 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.603 -14.803 -16.355 1.00 0.00 O ATOM 0 H ASP A 59 0.488 -14.840 -13.899 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.598 -13.018 -14.490 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.254 -15.212 -15.573 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.746 -16.013 -14.094 1.00 0.00 H new ATOM 872 N ALA A 60 -1.624 -14.316 -11.447 1.00 0.00 N ATOM 873 CA ALA A 60 -2.232 -14.247 -10.092 1.00 0.00 C ATOM 874 C ALA A 60 -2.028 -12.829 -9.490 1.00 0.00 C ATOM 875 O ALA A 60 -2.886 -12.326 -8.756 1.00 0.00 O ATOM 876 CB ALA A 60 -1.613 -15.343 -9.204 1.00 0.00 C ATOM 0 H ALA A 60 -0.757 -14.853 -11.481 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.306 -14.423 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.055 -15.298 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.809 -16.321 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.537 -15.187 -9.131 1.00 0.00 H new ATOM 882 N ILE A 61 -0.878 -12.208 -9.812 1.00 0.00 N ATOM 883 CA ILE A 61 -0.490 -10.877 -9.272 1.00 0.00 C ATOM 884 C ILE A 61 -1.541 -9.867 -9.810 1.00 0.00 C ATOM 885 O ILE A 61 -1.977 -8.967 -9.081 1.00 0.00 O ATOM 886 CB ILE A 61 1.006 -10.519 -9.610 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.982 -10.826 -8.429 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.177 -9.046 -10.070 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.788 -9.630 -7.897 1.00 0.00 C ATOM 0 H ILE A 61 -0.190 -12.607 -10.450 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.505 -10.857 -8.182 1.00 0.00 H new ATOM 0 HB ILE A 61 1.272 -11.168 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.404 -11.246 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.682 -11.596 -8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.227 -8.853 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.581 -8.873 -10.966 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.843 -8.376 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.431 -9.959 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.401 -9.219 -8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.104 -8.863 -7.534 1.00 0.00 H new ATOM 901 N ILE A 62 -1.935 -10.032 -11.087 1.00 0.00 N ATOM 902 CA ILE A 62 -2.850 -9.094 -11.794 1.00 0.00 C ATOM 903 C ILE A 62 -4.270 -9.360 -11.223 1.00 0.00 C ATOM 904 O ILE A 62 -5.075 -8.431 -11.086 1.00 0.00 O ATOM 905 CB ILE A 62 -2.728 -9.222 -13.359 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.314 -8.823 -13.889 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.824 -8.418 -14.110 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.293 -8.003 -15.190 1.00 0.00 C ATOM 0 H ILE A 62 -1.632 -10.817 -11.664 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.588 -8.051 -11.615 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.879 -10.281 -13.571 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.804 -8.251 -13.113 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.736 -9.733 -14.046 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.693 -8.541 -15.185 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.808 -8.786 -13.820 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.741 -7.362 -13.853 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.261 -7.782 -15.464 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.767 -8.575 -15.988 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.836 -7.070 -15.041 1.00 0.00 H new ATOM 920 N GLU A 63 -4.568 -10.638 -10.919 1.00 0.00 N ATOM 921 CA GLU A 63 -5.885 -11.053 -10.365 1.00 0.00 C ATOM 922 C GLU A 63 -6.229 -10.118 -9.173 1.00 0.00 C ATOM 923 O GLU A 63 -7.264 -9.441 -9.181 1.00 0.00 O ATOM 924 CB GLU A 63 -5.869 -12.562 -9.986 1.00 0.00 C ATOM 925 CG GLU A 63 -7.211 -13.168 -9.509 1.00 0.00 C ATOM 926 CD GLU A 63 -7.064 -14.474 -8.722 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.035 -15.558 -9.347 1.00 0.00 O ATOM 928 OE2 GLU A 63 -6.981 -14.424 -7.475 1.00 0.00 O ATOM 0 H GLU A 63 -3.914 -11.410 -11.047 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.673 -10.949 -11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.528 -13.128 -10.853 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.129 -12.708 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.726 -12.437 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.844 -13.349 -10.377 1.00 0.00 H new ATOM 935 N GLU A 64 -5.361 -10.120 -8.146 1.00 0.00 N ATOM 936 CA GLU A 64 -5.593 -9.370 -6.883 1.00 0.00 C ATOM 937 C GLU A 64 -5.959 -7.904 -7.244 1.00 0.00 C ATOM 938 O GLU A 64 -7.045 -7.420 -6.901 1.00 0.00 O ATOM 939 CB GLU A 64 -4.356 -9.492 -5.949 1.00 0.00 C ATOM 940 CG GLU A 64 -4.419 -10.588 -4.859 1.00 0.00 C ATOM 941 CD GLU A 64 -3.672 -10.234 -3.569 1.00 0.00 C ATOM 942 OE1 GLU A 64 -2.576 -9.636 -3.648 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.177 -10.554 -2.470 1.00 0.00 O ATOM 0 H GLU A 64 -4.481 -10.636 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.428 -9.791 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.478 -9.677 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.203 -8.531 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.464 -10.786 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.005 -11.511 -5.264 1.00 0.00 H new ATOM 950 N VAL A 65 -5.025 -7.203 -7.913 1.00 0.00 N ATOM 951 CA VAL A 65 -5.241 -5.815 -8.403 1.00 0.00 C ATOM 952 C VAL A 65 -6.107 -5.905 -9.690 1.00 0.00 C ATOM 953 O VAL A 65 -6.884 -6.853 -9.861 1.00 0.00 O ATOM 954 CB VAL A 65 -3.887 -5.046 -8.604 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.998 -5.053 -7.337 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.034 -5.560 -9.792 1.00 0.00 C ATOM 0 H VAL A 65 -4.101 -7.574 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.774 -5.221 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.210 -4.029 -8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.076 -4.507 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.532 -4.576 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.759 -6.081 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.117 -4.976 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.785 -6.609 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.600 -5.457 -10.718 1.00 0.00 H new ATOM 966 N ASP A 66 -5.961 -4.912 -10.587 1.00 0.00 N ATOM 967 CA ASP A 66 -6.717 -4.857 -11.868 1.00 0.00 C ATOM 968 C ASP A 66 -8.221 -5.102 -11.573 1.00 0.00 C ATOM 969 O ASP A 66 -8.786 -6.137 -11.951 1.00 0.00 O ATOM 970 CB ASP A 66 -6.139 -5.852 -12.917 1.00 0.00 C ATOM 971 CG ASP A 66 -5.728 -5.242 -14.269 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.616 -4.785 -15.022 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.515 -5.215 -14.575 1.00 0.00 O ATOM 0 H ASP A 66 -5.323 -4.128 -10.453 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.610 -3.869 -12.315 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.268 -6.342 -12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.883 -6.627 -13.101 1.00 0.00 H new ATOM 978 N GLU A 67 -8.852 -4.147 -10.866 1.00 0.00 N ATOM 979 CA GLU A 67 -10.277 -4.218 -10.451 1.00 0.00 C ATOM 980 C GLU A 67 -11.177 -3.645 -11.579 1.00 0.00 C ATOM 981 O GLU A 67 -12.263 -3.104 -11.303 1.00 0.00 O ATOM 982 CB GLU A 67 -10.466 -3.486 -9.086 1.00 0.00 C ATOM 983 CG GLU A 67 -10.871 -1.994 -9.154 1.00 0.00 C ATOM 984 CD GLU A 67 -10.363 -1.150 -7.980 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.863 -1.327 -6.847 1.00 0.00 O ATOM 986 OE2 GLU A 67 -9.465 -0.304 -8.187 1.00 0.00 O ATOM 0 H GLU A 67 -8.387 -3.292 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.579 -5.254 -10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.225 -4.020 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.534 -3.561 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.492 -1.568 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.958 -1.926 -9.192 1.00 0.00 H new ATOM 993 N ASP A 68 -10.753 -3.785 -12.848 1.00 0.00 N ATOM 994 CA ASP A 68 -11.486 -3.243 -14.025 1.00 0.00 C ATOM 995 C ASP A 68 -11.919 -4.423 -14.934 1.00 0.00 C ATOM 996 O ASP A 68 -13.116 -4.691 -15.103 1.00 0.00 O ATOM 997 CB ASP A 68 -10.642 -2.178 -14.785 1.00 0.00 C ATOM 998 CG ASP A 68 -9.189 -2.567 -15.108 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.446 -2.961 -14.182 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.788 -2.475 -16.290 1.00 0.00 O ATOM 0 H ASP A 68 -9.894 -4.276 -13.095 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.382 -2.720 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.150 -1.942 -15.720 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.628 -1.264 -14.191 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.932 -5.106 -15.550 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.198 -6.228 -16.484 1.00 0.00 C ATOM 1007 C GLY A 69 -10.100 -6.303 -17.575 1.00 0.00 C ATOM 1008 O GLY A 69 -9.689 -7.396 -17.984 1.00 0.00 O ATOM 0 H GLY A 69 -9.941 -4.902 -15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.234 -7.167 -15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.174 -6.096 -16.951 1.00 0.00 H new ATOM 1012 N SER A 70 -9.638 -5.128 -18.040 1.00 0.00 N ATOM 1013 CA SER A 70 -8.663 -5.002 -19.156 1.00 0.00 C ATOM 1014 C SER A 70 -7.510 -6.027 -18.985 1.00 0.00 C ATOM 1015 O SER A 70 -7.120 -6.711 -19.940 1.00 0.00 O ATOM 1016 CB SER A 70 -8.146 -3.545 -19.219 1.00 0.00 C ATOM 1017 OG SER A 70 -7.127 -3.313 -18.252 1.00 0.00 O ATOM 0 H SER A 70 -9.928 -4.229 -17.654 1.00 0.00 H new ATOM 0 HA SER A 70 -9.150 -5.229 -20.104 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.757 -3.338 -20.216 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.974 -2.856 -19.050 1.00 0.00 H new ATOM 0 HG SER A 70 -7.522 -2.911 -17.450 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.992 -6.150 -17.746 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.917 -7.120 -17.421 1.00 0.00 C ATOM 1025 C GLY A 71 -4.543 -6.405 -17.337 1.00 0.00 C ATOM 1026 O GLY A 71 -3.663 -6.818 -16.570 1.00 0.00 O ATOM 0 H GLY A 71 -7.299 -5.590 -16.950 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.137 -7.610 -16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.881 -7.900 -18.182 1.00 0.00 H new ATOM 1030 N THR A 72 -4.379 -5.335 -18.138 1.00 0.00 N ATOM 1031 CA THR A 72 -3.160 -4.483 -18.126 1.00 0.00 C ATOM 1032 C THR A 72 -3.314 -3.408 -17.017 1.00 0.00 C ATOM 1033 O THR A 72 -4.427 -3.137 -16.544 1.00 0.00 O ATOM 1034 CB THR A 72 -2.860 -3.865 -19.528 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.072 -3.524 -20.198 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.030 -4.755 -20.472 1.00 0.00 C ATOM 0 H THR A 72 -5.082 -5.032 -18.812 1.00 0.00 H new ATOM 0 HA THR A 72 -2.291 -5.100 -17.897 1.00 0.00 H new ATOM 0 HB THR A 72 -2.257 -2.984 -19.307 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.864 -3.137 -21.074 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.876 -4.237 -21.419 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.064 -4.969 -20.014 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.562 -5.689 -20.652 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.187 -2.804 -16.592 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.144 -1.755 -15.538 1.00 0.00 C ATOM 1046 C ILE A 73 -1.621 -0.465 -16.230 1.00 0.00 C ATOM 1047 O ILE A 73 -0.415 -0.322 -16.466 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.308 -2.217 -14.284 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.938 -3.450 -13.560 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.072 -1.067 -13.268 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.948 -4.392 -12.856 1.00 0.00 C ATOM 0 H ILE A 73 -1.267 -3.029 -16.971 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.130 -1.557 -15.117 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.340 -2.520 -14.683 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.653 -3.087 -12.821 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.502 -4.028 -14.292 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.492 -1.440 -12.424 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.527 -0.258 -13.754 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.032 -0.694 -12.911 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.495 -5.211 -12.388 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.247 -4.795 -13.587 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.400 -3.839 -12.093 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.542 0.464 -16.548 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.200 1.753 -17.208 1.00 0.00 C ATOM 1065 C ASP A 74 -1.673 2.749 -16.137 1.00 0.00 C ATOM 1066 O ASP A 74 -1.568 2.423 -14.946 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.407 2.323 -18.009 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.380 1.286 -18.595 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.101 0.740 -19.685 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.430 1.021 -17.968 1.00 0.00 O ATOM 0 H ASP A 74 -3.538 0.351 -16.360 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.410 1.586 -17.941 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.969 2.990 -17.355 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.020 2.931 -18.827 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.332 3.974 -16.581 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.816 5.049 -15.688 1.00 0.00 C ATOM 1077 C PHE A 75 -1.990 5.587 -14.826 1.00 0.00 C ATOM 1078 O PHE A 75 -1.794 5.993 -13.674 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.139 6.175 -16.523 1.00 0.00 C ATOM 1080 CG PHE A 75 0.730 7.162 -15.718 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.882 7.010 -14.335 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.366 8.230 -16.363 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.653 7.914 -13.608 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.136 9.133 -15.634 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.273 8.978 -14.257 1.00 0.00 C ATOM 0 H PHE A 75 -1.403 4.253 -17.560 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.051 4.650 -15.022 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.482 5.712 -17.290 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.916 6.739 -17.039 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.399 6.187 -13.829 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.259 8.354 -17.431 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.770 7.790 -12.542 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.627 9.953 -16.137 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.862 9.685 -13.691 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.202 5.605 -15.412 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.409 6.188 -14.768 1.00 0.00 C ATOM 1097 C GLU A 76 -4.753 5.384 -13.485 1.00 0.00 C ATOM 1098 O GLU A 76 -4.994 5.969 -12.421 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.602 6.253 -15.768 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.636 5.100 -15.728 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.619 5.093 -16.902 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.176 4.939 -18.062 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -8.840 5.239 -16.670 1.00 0.00 O ATOM 0 H GLU A 76 -3.379 5.220 -16.340 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.201 7.217 -14.473 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.135 7.188 -15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.192 6.302 -16.777 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.102 4.150 -15.711 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.200 5.166 -14.798 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.779 4.044 -13.610 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.148 3.124 -12.500 1.00 0.00 C ATOM 1112 C GLU A 77 -3.937 2.930 -11.546 1.00 0.00 C ATOM 1113 O GLU A 77 -4.116 2.674 -10.348 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.677 1.762 -13.037 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.618 0.668 -13.312 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.205 -0.586 -13.964 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.330 -0.621 -15.208 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.547 -1.544 -13.235 1.00 0.00 O ATOM 0 H GLU A 77 -4.547 3.562 -14.478 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.963 3.576 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.395 1.368 -12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.222 1.949 -13.962 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.842 1.077 -13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.138 0.391 -12.373 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.713 3.047 -12.093 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.456 2.881 -11.314 1.00 0.00 C ATOM 1127 C PHE A 78 -1.490 3.845 -10.097 1.00 0.00 C ATOM 1128 O PHE A 78 -1.012 3.504 -9.008 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.213 3.116 -12.225 1.00 0.00 C ATOM 1130 CG PHE A 78 1.150 3.034 -11.506 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.567 1.840 -10.906 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.989 4.154 -11.458 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.804 1.769 -10.269 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.224 4.080 -10.819 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.631 2.889 -10.226 1.00 0.00 C ATOM 0 H PHE A 78 -2.560 3.258 -13.079 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.376 1.861 -10.939 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.227 2.380 -13.029 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.303 4.098 -12.690 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.927 0.970 -10.937 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.677 5.080 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.122 0.845 -9.808 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.866 4.948 -10.784 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.590 2.833 -9.732 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.058 5.048 -10.301 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.072 6.124 -9.274 1.00 0.00 C ATOM 1147 C LEU A 79 -3.227 5.834 -8.276 1.00 0.00 C ATOM 1148 O LEU A 79 -3.123 6.154 -7.085 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.221 7.525 -9.940 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.177 7.918 -11.026 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.679 9.050 -11.946 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.168 8.317 -10.388 1.00 0.00 C ATOM 0 H LEU A 79 -2.519 5.307 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.126 6.137 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.212 7.580 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.187 8.278 -9.152 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.029 7.032 -11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.913 9.285 -12.685 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.588 8.729 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.892 9.937 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.877 8.586 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.018 9.170 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.562 7.478 -9.815 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.332 5.256 -8.782 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.526 4.917 -7.961 1.00 0.00 C ATOM 1166 C VAL A 80 -5.058 3.968 -6.823 1.00 0.00 C ATOM 1167 O VAL A 80 -5.568 4.034 -5.699 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.690 4.326 -8.834 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -8.045 4.210 -8.092 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.909 5.121 -10.144 1.00 0.00 C ATOM 0 H VAL A 80 -4.430 5.009 -9.767 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.955 5.815 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.350 3.317 -9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.794 3.793 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.931 3.557 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.364 5.198 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.724 4.671 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.160 6.154 -9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.997 5.098 -10.740 1.00 0.00 H new ATOM 1180 N MET A 81 -4.107 3.071 -7.143 1.00 0.00 N ATOM 1181 CA MET A 81 -3.556 2.081 -6.179 1.00 0.00 C ATOM 1182 C MET A 81 -3.085 2.841 -4.908 1.00 0.00 C ATOM 1183 O MET A 81 -3.690 2.716 -3.838 1.00 0.00 O ATOM 1184 CB MET A 81 -2.409 1.245 -6.818 1.00 0.00 C ATOM 1185 CG MET A 81 -2.427 -0.265 -6.514 1.00 0.00 C ATOM 1186 SD MET A 81 -0.822 -0.995 -6.910 1.00 0.00 S ATOM 1187 CE MET A 81 -1.043 -2.682 -6.310 1.00 0.00 C ATOM 0 H MET A 81 -3.695 3.006 -8.074 1.00 0.00 H new ATOM 0 HA MET A 81 -4.331 1.367 -5.901 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.447 1.379 -7.899 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.456 1.653 -6.480 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.661 -0.430 -5.462 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.210 -0.752 -7.095 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.746 -3.386 -7.087 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.427 -2.837 -5.424 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.091 -2.843 -6.056 1.00 0.00 H new ATOM 1197 N MET A 82 -1.978 3.596 -5.040 1.00 0.00 N ATOM 1198 CA MET A 82 -1.330 4.290 -3.894 1.00 0.00 C ATOM 1199 C MET A 82 -2.363 5.195 -3.168 1.00 0.00 C ATOM 1200 O MET A 82 -2.256 5.423 -1.957 1.00 0.00 O ATOM 1201 CB MET A 82 -0.096 5.094 -4.392 1.00 0.00 C ATOM 1202 CG MET A 82 1.234 4.317 -4.434 1.00 0.00 C ATOM 1203 SD MET A 82 2.012 4.269 -2.802 1.00 0.00 S ATOM 1204 CE MET A 82 2.928 2.716 -2.880 1.00 0.00 C ATOM 0 H MET A 82 -1.506 3.746 -5.932 1.00 0.00 H new ATOM 0 HA MET A 82 -0.974 3.555 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.309 5.468 -5.393 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.032 5.964 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.054 3.301 -4.785 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.910 4.786 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.456 2.558 -1.940 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.234 1.893 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.647 2.759 -3.698 1.00 0.00 H new ATOM 1214 N VAL A 83 -3.339 5.727 -3.927 1.00 0.00 N ATOM 1215 CA VAL A 83 -4.334 6.707 -3.413 1.00 0.00 C ATOM 1216 C VAL A 83 -5.158 6.003 -2.301 1.00 0.00 C ATOM 1217 O VAL A 83 -5.420 6.593 -1.244 1.00 0.00 O ATOM 1218 CB VAL A 83 -5.214 7.312 -4.565 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.720 7.351 -4.212 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.787 8.733 -5.011 1.00 0.00 C ATOM 0 H VAL A 83 -3.466 5.495 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.831 7.572 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.045 6.626 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.278 7.779 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.075 6.339 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.870 7.963 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.445 9.077 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.856 9.416 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.760 8.707 -5.374 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.583 4.754 -2.566 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.476 3.983 -1.661 1.00 0.00 C ATOM 1232 C ARG A 84 -5.683 3.652 -0.368 1.00 0.00 C ATOM 1233 O ARG A 84 -6.250 3.625 0.732 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.985 2.692 -2.362 1.00 0.00 C ATOM 1235 CG ARG A 84 -8.421 2.779 -2.930 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.619 1.910 -4.187 1.00 0.00 C ATOM 1237 NE ARG A 84 -9.479 0.732 -3.913 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.174 -0.536 -4.257 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.442 -0.796 -5.331 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.579 -1.561 -3.520 1.00 0.00 N ATOM 0 H ARG A 84 -5.321 4.245 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.357 4.573 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.303 2.446 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.942 1.868 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.130 2.467 -2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.649 3.817 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.068 2.511 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.649 1.574 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.363 0.893 -3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.100 -0.031 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.221 -1.761 -5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.131 -1.397 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.339 -2.513 -3.795 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.376 3.372 -0.522 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.493 2.958 0.601 1.00 0.00 C ATOM 1256 C GLN A 85 -3.295 4.167 1.556 1.00 0.00 C ATOM 1257 O GLN A 85 -3.092 3.988 2.764 1.00 0.00 O ATOM 1258 CB GLN A 85 -2.146 2.409 0.049 1.00 0.00 C ATOM 1259 CG GLN A 85 -2.156 0.938 -0.434 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.864 0.158 -0.132 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.107 0.707 0.387 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.822 -1.128 -0.447 1.00 0.00 N ATOM 0 H GLN A 85 -3.897 3.424 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.952 2.149 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.833 3.041 -0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.390 2.509 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.995 0.421 0.033 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.331 0.923 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.632 -1.574 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.020 -1.672 -0.260 1.00 0.00 H new ATOM 1271 N MET A 86 -3.328 5.389 0.996 1.00 0.00 N ATOM 1272 CA MET A 86 -3.068 6.645 1.747 1.00 0.00 C ATOM 1273 C MET A 86 -3.957 6.637 3.021 1.00 0.00 C ATOM 1274 O MET A 86 -3.507 7.031 4.105 1.00 0.00 O ATOM 1275 CB MET A 86 -3.317 7.892 0.842 1.00 0.00 C ATOM 1276 CG MET A 86 -4.678 8.579 1.056 1.00 0.00 C ATOM 1277 SD MET A 86 -4.690 10.226 0.324 1.00 0.00 S ATOM 1278 CE MET A 86 -4.897 9.838 -1.427 1.00 0.00 C ATOM 0 H MET A 86 -3.535 5.541 0.009 1.00 0.00 H new ATOM 0 HA MET A 86 -2.023 6.704 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.526 8.619 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.238 7.588 -0.202 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.469 7.974 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.891 8.649 2.123 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.272 10.716 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.937 9.544 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.608 9.019 -1.537 1.00 0.00 H new ATOM 1288 N LYS A 87 -5.205 6.156 2.877 1.00 0.00 N ATOM 1289 CA LYS A 87 -6.196 6.113 3.985 1.00 0.00 C ATOM 1290 C LYS A 87 -5.540 5.403 5.201 1.00 0.00 C ATOM 1291 O LYS A 87 -4.946 4.328 5.058 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.497 5.366 3.576 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.426 3.822 3.634 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.626 3.088 3.000 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.132 1.867 3.794 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.021 0.987 4.196 1.00 0.00 N ATOM 0 H LYS A 87 -5.561 5.786 1.996 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.479 7.135 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.306 5.700 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.761 5.662 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.515 3.496 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.343 3.516 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.447 3.795 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.346 2.761 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.669 2.205 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.841 1.305 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.392 0.045 4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.342 0.905 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.543 1.389 5.028 1.00 0.00 H new ATOM 1310 N GLU A 88 -5.657 6.022 6.390 1.00 0.00 N ATOM 1311 CA GLU A 88 -5.085 5.475 7.650 1.00 0.00 C ATOM 1312 C GLU A 88 -5.845 4.169 8.006 1.00 0.00 C ATOM 1313 O GLU A 88 -5.234 3.170 8.403 1.00 0.00 O ATOM 1314 CB GLU A 88 -5.130 6.549 8.775 1.00 0.00 C ATOM 1315 CG GLU A 88 -6.503 7.204 9.053 1.00 0.00 C ATOM 1316 CD GLU A 88 -6.460 8.341 10.078 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -6.207 9.501 9.685 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -6.676 8.079 11.282 1.00 0.00 O ATOM 0 H GLU A 88 -6.145 6.909 6.512 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.032 5.222 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.779 6.089 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.421 7.338 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.905 7.589 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.194 6.438 9.405 1.00 0.00 H new ATOM 1325 N ASP A 89 -7.185 4.207 7.885 1.00 0.00 N ATOM 1326 CA ASP A 89 -8.065 3.055 8.214 1.00 0.00 C ATOM 1327 C ASP A 89 -9.531 3.431 7.864 1.00 0.00 C ATOM 1328 O ASP A 89 -10.085 4.391 8.412 1.00 0.00 O ATOM 1329 CB ASP A 89 -7.898 2.609 9.696 1.00 0.00 C ATOM 1330 CG ASP A 89 -8.976 1.657 10.241 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -8.918 0.442 9.945 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -9.882 2.121 10.968 1.00 0.00 O ATOM 0 H ASP A 89 -7.692 5.030 7.559 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.776 2.191 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.927 2.125 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.879 3.501 10.323 1.00 0.00 H new ATOM 1337 N ALA A 90 -10.151 2.640 6.968 1.00 0.00 N ATOM 1338 CA ALA A 90 -11.541 2.881 6.498 1.00 0.00 C ATOM 1339 C ALA A 90 -11.563 4.173 5.658 1.00 0.00 C ATOM 1340 O ALA A 90 -10.529 4.474 4.986 1.00 0.00 O ATOM 1341 CB ALA A 90 -12.519 2.946 7.689 1.00 0.00 C ATOM 1342 OXT ALA A 90 -12.600 4.906 5.651 1.00 0.00 O ATOM 0 H ALA A 90 -9.712 1.820 6.548 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.871 2.052 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.530 3.123 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.492 2.003 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.228 3.758 8.355 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.823 -1.437 -21.630 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.509 -2.720 -15.586 1.00 0.00 CA