USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 846 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 83 GLN : amide:sc= 0.232 K(o=0.27,f=-0.41) USER MOD Set 1.2: A 95 TYR OH : rot 56:sc= 0.0375 USER MOD Set 2.1: A 58 SER OG : rot -98:sc= 0.189 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -1.31 X(o=-1.1,f=-1.3) USER MOD Set 3.1: A 50 THR OG1 : rot 26:sc= 0.509 USER MOD Set 3.2: A 51 CYS SG : rot 75:sc= -0.117 USER MOD Set 4.1: A 38 GLN : amide:sc= -0.571 X(o=-0.6,f=-0.63) USER MOD Set 4.2: A 42 MET CE :methyl -157:sc= -0.0309 (180deg=-0.243) USER MOD Set 5.1: A 22 TYR OH : rot 17:sc= 0.972 USER MOD Set 5.2: A 55 TYR OH : rot -54:sc= 0.0208 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.0656 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 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 138:sc= 0.355 USER MOD Single : A 16 SER OG : rot -87:sc= -0.513 USER MOD Single : A 19 SER OG : rot -26:sc= 0.718 USER MOD Single : A 23 MET CE :methyl 131:sc= -0.365 (180deg=-1.08) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.12) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.665 K(o=-0.66,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.206 K(o=-0.21,f=-1) USER MOD Single : A 48 SER OG : rot 180:sc= -0.782 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 93:sc= 0.709 USER MOD Single : A 62 ASN : amide:sc= -0.0626 K(o=-0.063,f=-1.3!) USER MOD Single : A 63 SER OG : rot -53:sc= 0.393 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.508 K(o=-0.51,f=-0.002) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -4.6! C(o=-4.6!,f=-12!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -9.57! C(o=-9.6!,f=-12!) USER MOD Single : A 96 LYS NZ :NH3+ -116:sc= 1.9 (180deg=-0.811) USER MOD Single : A 98 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.012) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -30:sc= 0.207 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.201 8.879 -29.026 1.00 0.00 N ATOM 2 CA GLY A 1 -5.677 8.637 -27.695 1.00 0.00 C ATOM 3 C GLY A 1 -5.692 9.883 -26.831 1.00 0.00 C ATOM 4 O GLY A 1 -4.655 10.509 -26.614 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.169 7.998 -29.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.185 9.209 -28.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.625 9.604 -29.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.266 7.857 -27.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.656 8.264 -27.772 1.00 0.00 H new ATOM 8 N SER A 2 -6.872 10.244 -26.337 1.00 0.00 N ATOM 9 CA SER A 2 -7.020 11.426 -25.496 1.00 0.00 C ATOM 10 C SER A 2 -7.151 11.036 -24.027 1.00 0.00 C ATOM 11 O SER A 2 -7.961 10.180 -23.671 1.00 0.00 O ATOM 12 CB SER A 2 -8.242 12.238 -25.931 1.00 0.00 C ATOM 13 OG SER A 2 -9.430 11.476 -25.807 1.00 0.00 O ATOM 0 H SER A 2 -7.740 9.735 -26.505 1.00 0.00 H new ATOM 0 HA SER A 2 -6.126 12.038 -25.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.319 13.139 -25.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.119 12.561 -26.965 1.00 0.00 H new ATOM 0 HG SER A 2 -9.320 10.812 -25.095 1.00 0.00 H new ATOM 19 N SER A 3 -6.347 11.669 -23.179 1.00 0.00 N ATOM 20 CA SER A 3 -6.369 11.386 -21.749 1.00 0.00 C ATOM 21 C SER A 3 -6.148 12.660 -20.940 1.00 0.00 C ATOM 22 O SER A 3 -5.077 13.263 -20.990 1.00 0.00 O ATOM 23 CB SER A 3 -5.299 10.351 -21.396 1.00 0.00 C ATOM 24 OG SER A 3 -5.628 9.077 -21.922 1.00 0.00 O ATOM 0 H SER A 3 -5.672 12.381 -23.458 1.00 0.00 H new ATOM 0 HA SER A 3 -7.350 10.983 -21.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.334 10.672 -21.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.196 10.285 -20.313 1.00 0.00 H new ATOM 0 HG SER A 3 -4.928 8.434 -21.684 1.00 0.00 H new ATOM 30 N GLY A 4 -7.171 13.065 -20.193 1.00 0.00 N ATOM 31 CA GLY A 4 -7.070 14.265 -19.383 1.00 0.00 C ATOM 32 C GLY A 4 -8.418 14.740 -18.880 1.00 0.00 C ATOM 33 O GLY A 4 -9.437 14.555 -19.545 1.00 0.00 O ATOM 0 H GLY A 4 -8.068 12.583 -20.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.416 14.072 -18.533 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.605 15.057 -19.969 1.00 0.00 H new ATOM 37 N SER A 5 -8.425 15.353 -17.700 1.00 0.00 N ATOM 38 CA SER A 5 -9.660 15.852 -17.106 1.00 0.00 C ATOM 39 C SER A 5 -9.457 17.247 -16.522 1.00 0.00 C ATOM 40 O SER A 5 -8.383 17.569 -16.014 1.00 0.00 O ATOM 41 CB SER A 5 -10.147 14.897 -16.015 1.00 0.00 C ATOM 42 OG SER A 5 -11.466 15.219 -15.607 1.00 0.00 O ATOM 0 H SER A 5 -7.590 15.516 -17.137 1.00 0.00 H new ATOM 0 HA SER A 5 -10.414 15.912 -17.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.117 13.872 -16.385 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.476 14.946 -15.158 1.00 0.00 H new ATOM 0 HG SER A 5 -11.755 14.593 -14.910 1.00 0.00 H new ATOM 48 N SER A 6 -10.497 18.071 -16.600 1.00 0.00 N ATOM 49 CA SER A 6 -10.433 19.434 -16.084 1.00 0.00 C ATOM 50 C SER A 6 -10.361 19.434 -14.560 1.00 0.00 C ATOM 51 O SER A 6 -11.023 18.638 -13.896 1.00 0.00 O ATOM 52 CB SER A 6 -11.650 20.235 -16.549 1.00 0.00 C ATOM 53 OG SER A 6 -11.419 21.628 -16.432 1.00 0.00 O ATOM 0 H SER A 6 -11.394 17.819 -17.015 1.00 0.00 H new ATOM 0 HA SER A 6 -9.529 19.902 -16.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.878 19.987 -17.586 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.521 19.957 -15.956 1.00 0.00 H new ATOM 0 HG SER A 6 -12.211 22.118 -16.737 1.00 0.00 H new ATOM 59 N GLY A 7 -9.552 20.336 -14.012 1.00 0.00 N ATOM 60 CA GLY A 7 -9.408 20.425 -12.571 1.00 0.00 C ATOM 61 C GLY A 7 -8.655 19.244 -11.990 1.00 0.00 C ATOM 62 O GLY A 7 -9.180 18.133 -11.932 1.00 0.00 O ATOM 0 H GLY A 7 -8.994 21.006 -14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.884 21.347 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.395 20.483 -12.113 1.00 0.00 H new ATOM 66 N MET A 8 -7.420 19.485 -11.561 1.00 0.00 N ATOM 67 CA MET A 8 -6.594 18.432 -10.982 1.00 0.00 C ATOM 68 C MET A 8 -7.122 18.017 -9.612 1.00 0.00 C ATOM 69 O MET A 8 -7.696 18.829 -8.887 1.00 0.00 O ATOM 70 CB MET A 8 -5.143 18.901 -10.862 1.00 0.00 C ATOM 71 CG MET A 8 -4.966 20.101 -9.945 1.00 0.00 C ATOM 72 SD MET A 8 -3.298 20.218 -9.269 1.00 0.00 S ATOM 73 CE MET A 8 -3.389 21.791 -8.417 1.00 0.00 C ATOM 0 H MET A 8 -6.970 20.399 -11.603 1.00 0.00 H new ATOM 0 HA MET A 8 -6.635 17.567 -11.644 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.533 18.077 -10.491 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.768 19.154 -11.854 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.195 21.012 -10.497 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.682 20.036 -9.126 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.430 22.005 -7.945 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.626 22.579 -9.132 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.166 21.747 -7.654 1.00 0.00 H new ATOM 83 N SER A 9 -6.923 16.750 -9.265 1.00 0.00 N ATOM 84 CA SER A 9 -7.383 16.227 -7.984 1.00 0.00 C ATOM 85 C SER A 9 -6.283 15.422 -7.299 1.00 0.00 C ATOM 86 O SER A 9 -5.433 14.824 -7.960 1.00 0.00 O ATOM 87 CB SER A 9 -8.623 15.352 -8.182 1.00 0.00 C ATOM 88 OG SER A 9 -9.119 14.883 -6.940 1.00 0.00 O ATOM 0 H SER A 9 -6.446 16.066 -9.853 1.00 0.00 H new ATOM 0 HA SER A 9 -7.641 17.072 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.397 15.923 -8.694 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.376 14.505 -8.822 1.00 0.00 H new ATOM 0 HG SER A 9 -9.912 14.328 -7.093 1.00 0.00 H new ATOM 94 N SER A 10 -6.305 15.413 -5.970 1.00 0.00 N ATOM 95 CA SER A 10 -5.308 14.685 -5.194 1.00 0.00 C ATOM 96 C SER A 10 -5.608 13.189 -5.190 1.00 0.00 C ATOM 97 O SER A 10 -6.703 12.764 -5.558 1.00 0.00 O ATOM 98 CB SER A 10 -5.264 15.212 -3.759 1.00 0.00 C ATOM 99 OG SER A 10 -6.539 15.129 -3.146 1.00 0.00 O ATOM 0 H SER A 10 -7.002 15.902 -5.408 1.00 0.00 H new ATOM 0 HA SER A 10 -4.335 14.841 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.540 14.638 -3.180 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.924 16.247 -3.759 1.00 0.00 H new ATOM 0 HG SER A 10 -6.484 15.470 -2.229 1.00 0.00 H new ATOM 105 N ALA A 11 -4.627 12.396 -4.772 1.00 0.00 N ATOM 106 CA ALA A 11 -4.786 10.948 -4.717 1.00 0.00 C ATOM 107 C ALA A 11 -5.369 10.411 -6.020 1.00 0.00 C ATOM 108 O ALA A 11 -6.353 9.671 -6.011 1.00 0.00 O ATOM 109 CB ALA A 11 -5.668 10.558 -3.541 1.00 0.00 C ATOM 0 H ALA A 11 -3.714 12.732 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.800 10.503 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.778 9.474 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.210 10.901 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.649 11.019 -3.653 1.00 0.00 H new ATOM 115 N ARG A 12 -4.756 10.787 -7.137 1.00 0.00 N ATOM 116 CA ARG A 12 -5.216 10.344 -8.447 1.00 0.00 C ATOM 117 C ARG A 12 -4.371 9.180 -8.956 1.00 0.00 C ATOM 118 O ARG A 12 -3.413 9.375 -9.704 1.00 0.00 O ATOM 119 CB ARG A 12 -5.165 11.501 -9.448 1.00 0.00 C ATOM 120 CG ARG A 12 -6.285 12.512 -9.267 1.00 0.00 C ATOM 121 CD ARG A 12 -7.552 12.075 -9.986 1.00 0.00 C ATOM 122 NE ARG A 12 -7.533 12.442 -11.400 1.00 0.00 N ATOM 123 CZ ARG A 12 -8.620 12.482 -12.163 1.00 0.00 C ATOM 124 NH1 ARG A 12 -9.805 12.178 -11.651 1.00 0.00 N ATOM 125 NH2 ARG A 12 -8.523 12.826 -13.440 1.00 0.00 N ATOM 0 H ARG A 12 -3.939 11.398 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.247 10.005 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.207 12.012 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.211 11.098 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.494 12.639 -8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.966 13.482 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.667 10.995 -9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.417 12.531 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.637 12.680 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.884 11.913 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.638 12.210 -12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.613 13.060 -13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.358 12.856 -14.025 1.00 0.00 H new ATOM 139 N PHE A 13 -4.731 7.969 -8.544 1.00 0.00 N ATOM 140 CA PHE A 13 -4.005 6.774 -8.956 1.00 0.00 C ATOM 141 C PHE A 13 -4.883 5.532 -8.825 1.00 0.00 C ATOM 142 O PHE A 13 -5.828 5.507 -8.036 1.00 0.00 O ATOM 143 CB PHE A 13 -2.737 6.607 -8.116 1.00 0.00 C ATOM 144 CG PHE A 13 -3.010 6.383 -6.656 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.186 7.457 -5.798 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.092 5.099 -6.142 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.437 7.253 -4.454 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.343 4.889 -4.799 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.517 5.968 -3.954 1.00 0.00 C ATOM 0 H PHE A 13 -5.521 7.790 -7.925 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.726 6.891 -10.003 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.163 5.765 -8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.116 7.496 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.126 8.464 -6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.958 4.252 -6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.571 8.098 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.403 3.883 -4.411 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.715 5.807 -2.905 1.00 0.00 H new ATOM 159 N ASP A 14 -4.564 4.505 -9.604 1.00 0.00 N ATOM 160 CA ASP A 14 -5.322 3.259 -9.576 1.00 0.00 C ATOM 161 C ASP A 14 -4.767 2.310 -8.519 1.00 0.00 C ATOM 162 O ASP A 14 -3.593 1.942 -8.555 1.00 0.00 O ATOM 163 CB ASP A 14 -5.291 2.588 -10.950 1.00 0.00 C ATOM 164 CG ASP A 14 -6.236 1.406 -11.037 1.00 0.00 C ATOM 165 OD1 ASP A 14 -7.140 1.304 -10.182 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.072 0.583 -11.962 1.00 0.00 O ATOM 0 H ASP A 14 -3.786 4.510 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.355 3.495 -9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.556 3.319 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.276 2.255 -11.166 1.00 0.00 H new ATOM 171 N SER A 15 -5.620 1.917 -7.578 1.00 0.00 N ATOM 172 CA SER A 15 -5.215 1.014 -6.507 1.00 0.00 C ATOM 173 C SER A 15 -5.171 -0.429 -7.001 1.00 0.00 C ATOM 174 O SER A 15 -4.562 -1.294 -6.372 1.00 0.00 O ATOM 175 CB SER A 15 -6.174 1.131 -5.322 1.00 0.00 C ATOM 176 OG SER A 15 -7.441 0.578 -5.635 1.00 0.00 O ATOM 0 H SER A 15 -6.596 2.210 -7.536 1.00 0.00 H new ATOM 0 HA SER A 15 -4.214 1.300 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.753 0.618 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.289 2.179 -5.045 1.00 0.00 H new ATOM 0 HG SER A 15 -7.766 0.053 -4.874 1.00 0.00 H new ATOM 182 N SER A 16 -5.823 -0.681 -8.132 1.00 0.00 N ATOM 183 CA SER A 16 -5.862 -2.019 -8.710 1.00 0.00 C ATOM 184 C SER A 16 -4.627 -2.278 -9.566 1.00 0.00 C ATOM 185 O SER A 16 -4.094 -3.388 -9.588 1.00 0.00 O ATOM 186 CB SER A 16 -7.127 -2.197 -9.552 1.00 0.00 C ATOM 187 OG SER A 16 -7.119 -1.331 -10.674 1.00 0.00 O ATOM 0 H SER A 16 -6.331 0.024 -8.666 1.00 0.00 H new ATOM 0 HA SER A 16 -5.873 -2.740 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.202 -3.231 -9.888 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.006 -1.996 -8.940 1.00 0.00 H new ATOM 0 HG SER A 16 -7.503 -0.466 -10.422 1.00 0.00 H new ATOM 193 N ASP A 17 -4.177 -1.246 -10.272 1.00 0.00 N ATOM 194 CA ASP A 17 -3.004 -1.360 -11.130 1.00 0.00 C ATOM 195 C ASP A 17 -1.770 -1.739 -10.317 1.00 0.00 C ATOM 196 O ASP A 17 -1.029 -0.872 -9.855 1.00 0.00 O ATOM 197 CB ASP A 17 -2.757 -0.044 -11.870 1.00 0.00 C ATOM 198 CG ASP A 17 -1.572 -0.124 -12.813 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.506 -0.614 -12.385 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.712 0.304 -13.977 1.00 0.00 O ATOM 0 H ASP A 17 -4.607 -0.321 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.193 -2.148 -11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.650 0.225 -12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.587 0.751 -11.144 1.00 0.00 H new ATOM 205 N ARG A 18 -1.558 -3.040 -10.145 1.00 0.00 N ATOM 206 CA ARG A 18 -0.416 -3.534 -9.386 1.00 0.00 C ATOM 207 C ARG A 18 0.895 -3.045 -9.995 1.00 0.00 C ATOM 208 O ARG A 18 1.862 -2.780 -9.282 1.00 0.00 O ATOM 209 CB ARG A 18 -0.430 -5.063 -9.339 1.00 0.00 C ATOM 210 CG ARG A 18 -1.234 -5.630 -8.180 1.00 0.00 C ATOM 211 CD ARG A 18 -1.846 -6.976 -8.533 1.00 0.00 C ATOM 212 NE ARG A 18 -2.929 -6.848 -9.504 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.903 -7.741 -9.641 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.929 -8.821 -8.873 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.854 -7.553 -10.547 1.00 0.00 N ATOM 0 H ARG A 18 -2.162 -3.771 -10.521 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.492 -3.146 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.840 -5.443 -10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.596 -5.425 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.590 -5.740 -7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.024 -4.930 -7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.073 -7.631 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.225 -7.450 -7.628 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.938 -6.028 -10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.200 -8.968 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.678 -9.505 -8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.838 -6.722 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.601 -8.239 -10.652 1.00 0.00 H new ATOM 229 N SER A 19 0.919 -2.929 -11.319 1.00 0.00 N ATOM 230 CA SER A 19 2.112 -2.477 -12.025 1.00 0.00 C ATOM 231 C SER A 19 2.345 -0.986 -11.798 1.00 0.00 C ATOM 232 O SER A 19 3.276 -0.401 -12.351 1.00 0.00 O ATOM 233 CB SER A 19 1.983 -2.762 -13.523 1.00 0.00 C ATOM 234 OG SER A 19 3.133 -2.326 -14.226 1.00 0.00 O ATOM 0 H SER A 19 0.126 -3.142 -11.924 1.00 0.00 H new ATOM 0 HA SER A 19 2.967 -3.025 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.839 -3.831 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.100 -2.259 -13.917 1.00 0.00 H new ATOM 0 HG SER A 19 3.564 -1.599 -13.730 1.00 0.00 H new ATOM 240 N ALA A 20 1.493 -0.379 -10.979 1.00 0.00 N ATOM 241 CA ALA A 20 1.606 1.042 -10.676 1.00 0.00 C ATOM 242 C ALA A 20 1.984 1.264 -9.215 1.00 0.00 C ATOM 243 O ALA A 20 2.599 2.272 -8.869 1.00 0.00 O ATOM 244 CB ALA A 20 0.303 1.757 -11.000 1.00 0.00 C ATOM 0 H ALA A 20 0.717 -0.849 -10.513 1.00 0.00 H new ATOM 0 HA ALA A 20 2.400 1.458 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.403 2.817 -10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.076 1.637 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.504 1.330 -10.405 1.00 0.00 H new ATOM 250 N TRP A 21 1.611 0.316 -8.362 1.00 0.00 N ATOM 251 CA TRP A 21 1.910 0.408 -6.938 1.00 0.00 C ATOM 252 C TRP A 21 2.586 -0.864 -6.440 1.00 0.00 C ATOM 253 O TRP A 21 3.529 -0.809 -5.650 1.00 0.00 O ATOM 254 CB TRP A 21 0.629 0.665 -6.142 1.00 0.00 C ATOM 255 CG TRP A 21 -0.467 -0.308 -6.452 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.503 -0.126 -7.324 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.638 -1.614 -5.890 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.307 -1.240 -7.338 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.798 -2.167 -6.467 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.076 -2.370 -4.957 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.257 -3.440 -6.140 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.381 -3.633 -4.633 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.538 -4.158 -5.223 1.00 0.00 C ATOM 0 H TRP A 21 1.101 -0.525 -8.632 1.00 0.00 H new ATOM 0 HA TRP A 21 2.595 1.243 -6.790 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.856 0.619 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.277 1.676 -6.349 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.666 0.763 -7.915 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.147 -1.358 -7.905 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.969 -1.974 -4.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.149 -3.847 -6.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.163 -4.226 -3.913 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.869 -5.149 -4.949 1.00 0.00 H new ATOM 274 N TYR A 22 2.099 -2.009 -6.906 1.00 0.00 N ATOM 275 CA TYR A 22 2.656 -3.296 -6.506 1.00 0.00 C ATOM 276 C TYR A 22 4.075 -3.465 -7.039 1.00 0.00 C ATOM 277 O TYR A 22 4.316 -3.355 -8.241 1.00 0.00 O ATOM 278 CB TYR A 22 1.770 -4.437 -7.009 1.00 0.00 C ATOM 279 CG TYR A 22 2.006 -5.747 -6.293 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.103 -5.797 -4.908 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.130 -6.936 -7.002 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.319 -6.993 -4.250 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.345 -8.136 -6.352 1.00 0.00 C ATOM 284 CZ TYR A 22 2.439 -8.159 -4.976 1.00 0.00 C ATOM 285 OH TYR A 22 2.653 -9.352 -4.324 1.00 0.00 O ATOM 0 H TYR A 22 1.320 -2.072 -7.561 1.00 0.00 H new ATOM 0 HA TYR A 22 2.691 -3.326 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.724 -4.152 -6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.945 -4.579 -8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.008 -4.886 -4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.057 -6.922 -8.079 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.393 -7.014 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.439 -9.051 -6.918 1.00 0.00 H new ATOM 0 HH TYR A 22 2.428 -9.251 -3.375 1.00 0.00 H new ATOM 295 N MET A 23 5.011 -3.735 -6.135 1.00 0.00 N ATOM 296 CA MET A 23 6.407 -3.922 -6.514 1.00 0.00 C ATOM 297 C MET A 23 6.918 -5.283 -6.052 1.00 0.00 C ATOM 298 O MET A 23 8.125 -5.505 -5.958 1.00 0.00 O ATOM 299 CB MET A 23 7.273 -2.810 -5.918 1.00 0.00 C ATOM 300 CG MET A 23 6.640 -1.431 -6.011 1.00 0.00 C ATOM 301 SD MET A 23 7.122 -0.545 -7.505 1.00 0.00 S ATOM 302 CE MET A 23 6.065 0.897 -7.399 1.00 0.00 C ATOM 0 H MET A 23 4.829 -3.829 -5.136 1.00 0.00 H new ATOM 0 HA MET A 23 6.471 -3.879 -7.601 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.474 -3.039 -4.871 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.234 -2.795 -6.431 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.555 -1.531 -5.987 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.925 -0.845 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.660 1.797 -7.555 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.290 0.837 -8.163 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.600 0.936 -6.414 1.00 0.00 H new ATOM 312 N GLY A 24 5.991 -6.192 -5.765 1.00 0.00 N ATOM 313 CA GLY A 24 6.368 -7.519 -5.316 1.00 0.00 C ATOM 314 C GLY A 24 7.871 -7.707 -5.258 1.00 0.00 C ATOM 315 O GLY A 24 8.473 -7.741 -4.185 1.00 0.00 O ATOM 0 H GLY A 24 4.986 -6.033 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.944 -7.699 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.938 -8.262 -5.987 1.00 0.00 H new ATOM 319 N PRO A 25 8.501 -7.834 -6.435 1.00 0.00 N ATOM 320 CA PRO A 25 9.951 -8.023 -6.541 1.00 0.00 C ATOM 321 C PRO A 25 10.729 -6.771 -6.149 1.00 0.00 C ATOM 322 O PRO A 25 11.264 -6.067 -7.005 1.00 0.00 O ATOM 323 CB PRO A 25 10.161 -8.339 -8.024 1.00 0.00 C ATOM 324 CG PRO A 25 9.001 -7.708 -8.714 1.00 0.00 C ATOM 325 CD PRO A 25 7.847 -7.803 -7.754 1.00 0.00 C ATOM 0 HA PRO A 25 10.310 -8.803 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.106 -7.932 -8.385 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.189 -9.414 -8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.215 -6.669 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.775 -8.223 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.174 -6.951 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.252 -8.699 -7.929 1.00 0.00 H new ATOM 333 N VAL A 26 10.787 -6.499 -4.849 1.00 0.00 N ATOM 334 CA VAL A 26 11.501 -5.332 -4.343 1.00 0.00 C ATOM 335 C VAL A 26 12.306 -5.679 -3.096 1.00 0.00 C ATOM 336 O VAL A 26 11.987 -6.631 -2.384 1.00 0.00 O ATOM 337 CB VAL A 26 10.532 -4.182 -4.012 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.113 -3.290 -2.925 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.217 -3.375 -5.263 1.00 0.00 C ATOM 0 H VAL A 26 10.348 -7.071 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 26 12.180 -5.009 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 26 9.602 -4.610 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.414 -2.483 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.284 -3.879 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.058 -2.868 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.531 -2.566 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.139 -2.956 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.756 -4.024 -6.008 1.00 0.00 H new ATOM 349 N SER A 27 13.350 -4.899 -2.836 1.00 0.00 N ATOM 350 CA SER A 27 14.203 -5.125 -1.676 1.00 0.00 C ATOM 351 C SER A 27 14.115 -3.955 -0.700 1.00 0.00 C ATOM 352 O SER A 27 14.112 -2.793 -1.107 1.00 0.00 O ATOM 353 CB SER A 27 15.655 -5.329 -2.115 1.00 0.00 C ATOM 354 OG SER A 27 16.416 -5.945 -1.091 1.00 0.00 O ATOM 0 H SER A 27 13.625 -4.105 -3.413 1.00 0.00 H new ATOM 0 HA SER A 27 13.854 -6.025 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.683 -5.945 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.098 -4.367 -2.373 1.00 0.00 H new ATOM 0 HG SER A 27 17.339 -6.066 -1.397 1.00 0.00 H new ATOM 360 N ARG A 28 14.043 -4.272 0.588 1.00 0.00 N ATOM 361 CA ARG A 28 13.954 -3.248 1.623 1.00 0.00 C ATOM 362 C ARG A 28 14.797 -2.030 1.257 1.00 0.00 C ATOM 363 O ARG A 28 14.303 -0.903 1.244 1.00 0.00 O ATOM 364 CB ARG A 28 14.410 -3.812 2.969 1.00 0.00 C ATOM 365 CG ARG A 28 13.867 -3.047 4.165 1.00 0.00 C ATOM 366 CD ARG A 28 12.359 -3.200 4.287 1.00 0.00 C ATOM 367 NE ARG A 28 11.891 -2.941 5.646 1.00 0.00 N ATOM 368 CZ ARG A 28 10.752 -3.421 6.134 1.00 0.00 C ATOM 369 NH1 ARG A 28 9.971 -4.181 5.380 1.00 0.00 N ATOM 370 NH2 ARG A 28 10.394 -3.141 7.381 1.00 0.00 N ATOM 0 H ARG A 28 14.044 -5.229 0.940 1.00 0.00 H new ATOM 0 HA ARG A 28 12.912 -2.937 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.097 -4.853 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.499 -3.803 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.345 -3.407 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.120 -1.991 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.868 -2.513 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.072 -4.209 3.991 1.00 0.00 H new ATOM 0 HE ARG A 28 12.470 -2.360 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.243 -4.399 4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.097 -4.548 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.993 -2.557 7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.520 -3.509 7.756 1.00 0.00 H new ATOM 384 N GLN A 29 16.071 -2.266 0.961 1.00 0.00 N ATOM 385 CA GLN A 29 16.983 -1.189 0.597 1.00 0.00 C ATOM 386 C GLN A 29 16.436 -0.388 -0.581 1.00 0.00 C ATOM 387 O GLN A 29 16.520 0.839 -0.600 1.00 0.00 O ATOM 388 CB GLN A 29 18.361 -1.754 0.249 1.00 0.00 C ATOM 389 CG GLN A 29 18.977 -2.584 1.363 1.00 0.00 C ATOM 390 CD GLN A 29 19.822 -1.755 2.310 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.945 -1.370 1.984 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.284 -1.476 3.492 1.00 0.00 N ATOM 0 H GLN A 29 16.495 -3.194 0.966 1.00 0.00 H new ATOM 0 HA GLN A 29 17.078 -0.522 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.277 -2.369 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.032 -0.930 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.183 -3.075 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.593 -3.371 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.350 -1.816 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.805 -0.922 4.172 1.00 0.00 H new ATOM 401 N GLU A 30 15.878 -1.092 -1.560 1.00 0.00 N ATOM 402 CA GLU A 30 15.319 -0.446 -2.742 1.00 0.00 C ATOM 403 C GLU A 30 14.115 0.417 -2.372 1.00 0.00 C ATOM 404 O GLU A 30 14.194 1.645 -2.376 1.00 0.00 O ATOM 405 CB GLU A 30 14.909 -1.494 -3.779 1.00 0.00 C ATOM 406 CG GLU A 30 14.539 -0.903 -5.128 1.00 0.00 C ATOM 407 CD GLU A 30 14.820 -1.852 -6.278 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.009 -2.051 -6.604 1.00 0.00 O ATOM 409 OE2 GLU A 30 13.852 -2.394 -6.850 1.00 0.00 O ATOM 0 H GLU A 30 15.801 -2.109 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 30 16.088 0.197 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.729 -2.200 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.061 -2.060 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.481 -0.641 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.096 0.022 -5.280 1.00 0.00 H new ATOM 416 N ALA A 31 13.002 -0.236 -2.053 1.00 0.00 N ATOM 417 CA ALA A 31 11.783 0.470 -1.680 1.00 0.00 C ATOM 418 C ALA A 31 12.098 1.706 -0.845 1.00 0.00 C ATOM 419 O ALA A 31 11.375 2.701 -0.895 1.00 0.00 O ATOM 420 CB ALA A 31 10.848 -0.459 -0.920 1.00 0.00 C ATOM 0 H ALA A 31 12.920 -1.253 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 31 11.288 0.798 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.941 0.081 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.588 -1.309 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.344 -0.815 -0.017 1.00 0.00 H new ATOM 426 N GLN A 32 13.181 1.636 -0.077 1.00 0.00 N ATOM 427 CA GLN A 32 13.590 2.750 0.770 1.00 0.00 C ATOM 428 C GLN A 32 14.176 3.883 -0.066 1.00 0.00 C ATOM 429 O GLN A 32 13.786 5.042 0.079 1.00 0.00 O ATOM 430 CB GLN A 32 14.614 2.282 1.806 1.00 0.00 C ATOM 431 CG GLN A 32 13.986 1.684 3.055 1.00 0.00 C ATOM 432 CD GLN A 32 14.895 1.774 4.265 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.219 0.763 4.889 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.313 2.988 4.603 1.00 0.00 N ATOM 0 H GLN A 32 13.790 0.820 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 32 12.706 3.124 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.269 1.541 1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.240 3.127 2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.050 2.200 3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.738 0.639 2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.020 3.799 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.927 3.110 5.408 1.00 0.00 H new ATOM 443 N THR A 33 15.116 3.540 -0.942 1.00 0.00 N ATOM 444 CA THR A 33 15.757 4.529 -1.800 1.00 0.00 C ATOM 445 C THR A 33 14.731 5.262 -2.656 1.00 0.00 C ATOM 446 O THR A 33 14.969 6.384 -3.103 1.00 0.00 O ATOM 447 CB THR A 33 16.806 3.877 -2.721 1.00 0.00 C ATOM 448 OG1 THR A 33 17.778 4.849 -3.120 1.00 0.00 O ATOM 449 CG2 THR A 33 16.145 3.276 -3.953 1.00 0.00 C ATOM 0 H THR A 33 15.450 2.585 -1.076 1.00 0.00 H new ATOM 0 HA THR A 33 16.254 5.243 -1.143 1.00 0.00 H new ATOM 0 HB THR A 33 17.299 3.078 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.442 4.427 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.905 2.821 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.427 2.516 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.629 4.060 -4.508 1.00 0.00 H new ATOM 457 N ARG A 34 13.588 4.621 -2.881 1.00 0.00 N ATOM 458 CA ARG A 34 12.526 5.213 -3.684 1.00 0.00 C ATOM 459 C ARG A 34 11.692 6.184 -2.853 1.00 0.00 C ATOM 460 O ARG A 34 11.199 7.191 -3.364 1.00 0.00 O ATOM 461 CB ARG A 34 11.626 4.120 -4.264 1.00 0.00 C ATOM 462 CG ARG A 34 12.362 2.825 -4.570 1.00 0.00 C ATOM 463 CD ARG A 34 11.567 1.945 -5.522 1.00 0.00 C ATOM 464 NE ARG A 34 11.812 2.290 -6.920 1.00 0.00 N ATOM 465 CZ ARG A 34 11.067 3.149 -7.606 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.035 3.748 -7.027 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.353 3.412 -8.875 1.00 0.00 N ATOM 0 H ARG A 34 13.375 3.692 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 34 12.989 5.766 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.820 3.913 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.163 4.490 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.334 3.052 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.549 2.284 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.830 0.900 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.503 2.045 -5.305 1.00 0.00 H new ATOM 0 HE ARG A 34 12.598 1.847 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.811 3.549 -6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.465 4.407 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.146 2.954 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.780 4.072 -9.401 1.00 0.00 H new ATOM 481 N LEU A 35 11.539 5.876 -1.570 1.00 0.00 N ATOM 482 CA LEU A 35 10.764 6.721 -0.668 1.00 0.00 C ATOM 483 C LEU A 35 11.680 7.474 0.292 1.00 0.00 C ATOM 484 O LEU A 35 11.213 8.125 1.226 1.00 0.00 O ATOM 485 CB LEU A 35 9.764 5.875 0.122 1.00 0.00 C ATOM 486 CG LEU A 35 8.930 4.886 -0.694 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.343 3.812 0.209 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.827 5.614 -1.449 1.00 0.00 C ATOM 0 H LEU A 35 11.941 5.048 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 35 10.219 7.449 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.311 5.318 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.084 6.547 0.646 1.00 0.00 H new ATOM 0 HG LEU A 35 9.582 4.403 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.753 3.117 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.150 3.271 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.705 4.277 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.244 4.895 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.176 6.124 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.270 6.345 -2.125 1.00 0.00 H new ATOM 500 N GLN A 36 12.984 7.382 0.053 1.00 0.00 N ATOM 501 CA GLN A 36 13.964 8.057 0.896 1.00 0.00 C ATOM 502 C GLN A 36 14.195 9.488 0.424 1.00 0.00 C ATOM 503 O GLN A 36 14.728 9.717 -0.661 1.00 0.00 O ATOM 504 CB GLN A 36 15.286 7.287 0.893 1.00 0.00 C ATOM 505 CG GLN A 36 16.430 8.040 1.552 1.00 0.00 C ATOM 506 CD GLN A 36 16.397 7.944 3.065 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.260 7.315 3.677 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.398 8.569 3.677 1.00 0.00 N ATOM 0 H GLN A 36 13.386 6.847 -0.717 1.00 0.00 H new ATOM 0 HA GLN A 36 13.571 8.088 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.144 6.336 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.560 7.055 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.378 7.645 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.387 9.089 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.704 9.079 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.324 8.539 4.694 1.00 0.00 H new ATOM 517 N GLY A 37 13.788 10.450 1.247 1.00 0.00 N ATOM 518 CA GLY A 37 13.958 11.848 0.895 1.00 0.00 C ATOM 519 C GLY A 37 12.866 12.352 -0.027 1.00 0.00 C ATOM 520 O GLY A 37 12.679 13.559 -0.175 1.00 0.00 O ATOM 0 H GLY A 37 13.344 10.286 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.968 12.449 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.926 11.983 0.413 1.00 0.00 H new ATOM 524 N GLN A 38 12.144 11.425 -0.648 1.00 0.00 N ATOM 525 CA GLN A 38 11.066 11.782 -1.562 1.00 0.00 C ATOM 526 C GLN A 38 9.993 12.597 -0.847 1.00 0.00 C ATOM 527 O GLN A 38 9.963 12.657 0.383 1.00 0.00 O ATOM 528 CB GLN A 38 10.446 10.523 -2.170 1.00 0.00 C ATOM 529 CG GLN A 38 11.320 9.862 -3.223 1.00 0.00 C ATOM 530 CD GLN A 38 12.092 10.866 -4.056 1.00 0.00 C ATOM 531 OE1 GLN A 38 13.315 10.965 -3.954 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.380 11.619 -4.886 1.00 0.00 N ATOM 0 H GLN A 38 12.286 10.421 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 38 11.488 12.392 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.246 9.806 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.485 10.780 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.021 9.185 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.696 9.255 -3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.368 11.503 -4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.845 12.313 -5.471 1.00 0.00 H new ATOM 541 N ARG A 39 9.115 13.222 -1.624 1.00 0.00 N ATOM 542 CA ARG A 39 8.042 14.035 -1.065 1.00 0.00 C ATOM 543 C ARG A 39 7.169 13.210 -0.124 1.00 0.00 C ATOM 544 O ARG A 39 7.143 11.981 -0.202 1.00 0.00 O ATOM 545 CB ARG A 39 7.185 14.627 -2.185 1.00 0.00 C ATOM 546 CG ARG A 39 6.592 13.582 -3.115 1.00 0.00 C ATOM 547 CD ARG A 39 5.229 13.112 -2.630 1.00 0.00 C ATOM 548 NE ARG A 39 4.184 14.096 -2.898 1.00 0.00 N ATOM 549 CZ ARG A 39 3.787 14.433 -4.120 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.345 13.866 -5.181 1.00 0.00 N ATOM 551 NH2 ARG A 39 2.830 15.337 -4.282 1.00 0.00 N ATOM 0 H ARG A 39 9.126 13.181 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 39 8.494 14.847 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.376 15.209 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.793 15.318 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.499 13.998 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.268 12.730 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.975 12.171 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.274 12.913 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 39 3.734 14.550 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.080 13.170 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.039 14.126 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.398 15.774 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.526 15.595 -5.221 1.00 0.00 H new ATOM 565 N HIS A 40 6.456 13.893 0.766 1.00 0.00 N ATOM 566 CA HIS A 40 5.582 13.223 1.722 1.00 0.00 C ATOM 567 C HIS A 40 4.293 12.763 1.049 1.00 0.00 C ATOM 568 O HIS A 40 3.575 13.561 0.448 1.00 0.00 O ATOM 569 CB HIS A 40 5.257 14.157 2.889 1.00 0.00 C ATOM 570 CG HIS A 40 6.308 14.171 3.955 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.288 15.047 5.020 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.415 13.409 4.118 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.338 14.824 5.791 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.038 13.835 5.265 1.00 0.00 N ATOM 0 H HIS A 40 6.466 14.910 0.845 1.00 0.00 H new ATOM 0 HA HIS A 40 6.105 12.346 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.125 15.169 2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.307 13.856 3.331 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.574 15.756 5.187 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.747 12.614 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.582 15.359 6.697 1.00 0.00 H new ATOM 583 N GLY A 41 4.005 11.469 1.155 1.00 0.00 N ATOM 584 CA GLY A 41 2.803 10.924 0.551 1.00 0.00 C ATOM 585 C GLY A 41 3.083 9.699 -0.296 1.00 0.00 C ATOM 586 O GLY A 41 2.260 8.787 -0.372 1.00 0.00 O ATOM 0 H GLY A 41 4.583 10.789 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.092 10.665 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.332 11.689 -0.066 1.00 0.00 H new ATOM 590 N MET A 42 4.249 9.677 -0.934 1.00 0.00 N ATOM 591 CA MET A 42 4.635 8.553 -1.781 1.00 0.00 C ATOM 592 C MET A 42 4.422 7.228 -1.056 1.00 0.00 C ATOM 593 O MET A 42 4.580 7.143 0.162 1.00 0.00 O ATOM 594 CB MET A 42 6.099 8.687 -2.205 1.00 0.00 C ATOM 595 CG MET A 42 6.449 7.876 -3.442 1.00 0.00 C ATOM 596 SD MET A 42 8.052 8.325 -4.136 1.00 0.00 S ATOM 597 CE MET A 42 7.665 9.904 -4.887 1.00 0.00 C ATOM 0 H MET A 42 4.942 10.423 -0.881 1.00 0.00 H new ATOM 0 HA MET A 42 4.004 8.565 -2.670 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.319 9.738 -2.395 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.738 8.371 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.451 6.816 -3.188 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.677 8.021 -4.197 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.386 10.118 -5.676 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.662 9.869 -5.311 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.712 10.688 -4.131 1.00 0.00 H new ATOM 607 N PHE A 43 4.062 6.197 -1.812 1.00 0.00 N ATOM 608 CA PHE A 43 3.826 4.876 -1.240 1.00 0.00 C ATOM 609 C PHE A 43 4.129 3.781 -2.259 1.00 0.00 C ATOM 610 O PHE A 43 4.261 4.048 -3.454 1.00 0.00 O ATOM 611 CB PHE A 43 2.378 4.755 -0.761 1.00 0.00 C ATOM 612 CG PHE A 43 1.412 4.396 -1.854 1.00 0.00 C ATOM 613 CD1 PHE A 43 0.793 5.385 -2.601 1.00 0.00 C ATOM 614 CD2 PHE A 43 1.123 3.070 -2.133 1.00 0.00 C ATOM 615 CE1 PHE A 43 -0.096 5.058 -3.608 1.00 0.00 C ATOM 616 CE2 PHE A 43 0.236 2.737 -3.139 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.376 3.732 -3.876 1.00 0.00 C ATOM 0 H PHE A 43 3.927 6.250 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 43 4.495 4.752 -0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.325 3.999 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.072 5.700 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.007 6.423 -2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.596 2.288 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.571 5.838 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.021 1.700 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.072 3.474 -4.660 1.00 0.00 H new ATOM 627 N LEU A 44 4.238 2.547 -1.778 1.00 0.00 N ATOM 628 CA LEU A 44 4.526 1.410 -2.645 1.00 0.00 C ATOM 629 C LEU A 44 4.478 0.102 -1.862 1.00 0.00 C ATOM 630 O LEU A 44 4.981 0.019 -0.741 1.00 0.00 O ATOM 631 CB LEU A 44 5.899 1.577 -3.299 1.00 0.00 C ATOM 632 CG LEU A 44 7.107 1.373 -2.384 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.473 -0.101 -2.304 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.292 2.193 -2.874 1.00 0.00 C ATOM 0 H LEU A 44 4.131 2.309 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 44 3.762 1.374 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.973 0.873 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.957 2.578 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 44 6.843 1.715 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.335 -0.227 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.629 -0.664 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.718 -0.470 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.143 2.035 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.557 1.882 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.026 3.250 -2.878 1.00 0.00 H new ATOM 646 N VAL A 45 3.872 -0.918 -2.461 1.00 0.00 N ATOM 647 CA VAL A 45 3.762 -2.224 -1.821 1.00 0.00 C ATOM 648 C VAL A 45 4.749 -3.216 -2.424 1.00 0.00 C ATOM 649 O VAL A 45 5.131 -3.099 -3.589 1.00 0.00 O ATOM 650 CB VAL A 45 2.336 -2.793 -1.949 1.00 0.00 C ATOM 651 CG1 VAL A 45 2.184 -4.047 -1.102 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.307 -1.744 -1.554 1.00 0.00 C ATOM 0 H VAL A 45 3.450 -0.866 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 45 3.995 -2.080 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 45 2.163 -3.064 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.171 -4.435 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.897 -4.801 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.376 -3.805 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.305 -2.163 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.475 -1.440 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.402 -0.877 -2.208 1.00 0.00 H new ATOM 662 N ARG A 46 5.160 -4.195 -1.624 1.00 0.00 N ATOM 663 CA ARG A 46 6.104 -5.208 -2.078 1.00 0.00 C ATOM 664 C ARG A 46 5.772 -6.570 -1.474 1.00 0.00 C ATOM 665 O ARG A 46 4.794 -6.713 -0.741 1.00 0.00 O ATOM 666 CB ARG A 46 7.533 -4.808 -1.706 1.00 0.00 C ATOM 667 CG ARG A 46 7.804 -4.837 -0.210 1.00 0.00 C ATOM 668 CD ARG A 46 9.019 -3.998 0.152 1.00 0.00 C ATOM 669 NE ARG A 46 9.742 -4.547 1.296 1.00 0.00 N ATOM 670 CZ ARG A 46 10.326 -5.740 1.292 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.274 -6.505 0.210 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.966 -6.171 2.372 1.00 0.00 N ATOM 0 H ARG A 46 4.853 -4.308 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 46 6.026 -5.281 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.231 -5.479 -2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.730 -3.804 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.931 -4.465 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.962 -5.866 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.688 -3.940 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.702 -2.980 0.378 1.00 0.00 H new ATOM 0 HE ARG A 46 9.802 -3.984 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.784 -6.178 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.724 -7.421 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.010 -5.586 3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.414 -7.087 2.368 1.00 0.00 H new ATOM 686 N ASP A 47 6.593 -7.566 -1.788 1.00 0.00 N ATOM 687 CA ASP A 47 6.387 -8.916 -1.277 1.00 0.00 C ATOM 688 C ASP A 47 7.215 -9.152 -0.017 1.00 0.00 C ATOM 689 O ASP A 47 8.444 -9.202 -0.070 1.00 0.00 O ATOM 690 CB ASP A 47 6.753 -9.950 -2.344 1.00 0.00 C ATOM 691 CG ASP A 47 8.238 -10.254 -2.369 1.00 0.00 C ATOM 692 OD1 ASP A 47 9.039 -9.299 -2.458 1.00 0.00 O ATOM 693 OD2 ASP A 47 8.600 -11.447 -2.300 1.00 0.00 O ATOM 0 H ASP A 47 7.407 -7.464 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 47 5.333 -9.025 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.200 -10.871 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.443 -9.583 -3.323 1.00 0.00 H new ATOM 698 N SER A 48 6.533 -9.295 1.114 1.00 0.00 N ATOM 699 CA SER A 48 7.205 -9.520 2.389 1.00 0.00 C ATOM 700 C SER A 48 8.207 -10.666 2.279 1.00 0.00 C ATOM 701 O SER A 48 7.850 -11.784 1.909 1.00 0.00 O ATOM 702 CB SER A 48 6.180 -9.827 3.483 1.00 0.00 C ATOM 703 OG SER A 48 6.799 -9.896 4.756 1.00 0.00 O ATOM 0 H SER A 48 5.515 -9.259 1.174 1.00 0.00 H new ATOM 0 HA SER A 48 7.745 -8.611 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.410 -9.056 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.683 -10.772 3.265 1.00 0.00 H new ATOM 0 HG SER A 48 6.123 -10.092 5.438 1.00 0.00 H new ATOM 709 N SER A 49 9.463 -10.378 2.604 1.00 0.00 N ATOM 710 CA SER A 49 10.519 -11.382 2.539 1.00 0.00 C ATOM 711 C SER A 49 10.294 -12.475 3.580 1.00 0.00 C ATOM 712 O SER A 49 9.741 -12.224 4.651 1.00 0.00 O ATOM 713 CB SER A 49 11.886 -10.730 2.754 1.00 0.00 C ATOM 714 OG SER A 49 12.385 -10.180 1.547 1.00 0.00 O ATOM 0 H SER A 49 9.774 -9.458 2.915 1.00 0.00 H new ATOM 0 HA SER A 49 10.494 -11.837 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.804 -9.947 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.589 -11.470 3.138 1.00 0.00 H new ATOM 0 HG SER A 49 13.259 -9.768 1.712 1.00 0.00 H new ATOM 720 N THR A 50 10.727 -13.689 3.256 1.00 0.00 N ATOM 721 CA THR A 50 10.573 -14.821 4.161 1.00 0.00 C ATOM 722 C THR A 50 9.171 -14.863 4.756 1.00 0.00 C ATOM 723 O THR A 50 8.967 -15.386 5.853 1.00 0.00 O ATOM 724 CB THR A 50 11.603 -14.770 5.305 1.00 0.00 C ATOM 725 OG1 THR A 50 11.570 -13.486 5.937 1.00 0.00 O ATOM 726 CG2 THR A 50 13.005 -15.049 4.784 1.00 0.00 C ATOM 0 H THR A 50 11.187 -13.914 2.374 1.00 0.00 H new ATOM 0 HA THR A 50 10.741 -15.722 3.571 1.00 0.00 H new ATOM 0 HB THR A 50 11.343 -15.539 6.032 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.686 -13.082 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.715 -15.008 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.034 -16.039 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.272 -14.300 4.038 1.00 0.00 H new ATOM 734 N CYS A 51 8.208 -14.310 4.028 1.00 0.00 N ATOM 735 CA CYS A 51 6.823 -14.284 4.485 1.00 0.00 C ATOM 736 C CYS A 51 5.859 -14.398 3.308 1.00 0.00 C ATOM 737 O CYS A 51 5.654 -13.451 2.548 1.00 0.00 O ATOM 738 CB CYS A 51 6.545 -12.997 5.264 1.00 0.00 C ATOM 739 SG CYS A 51 7.576 -12.788 6.734 1.00 0.00 S ATOM 0 H CYS A 51 8.360 -13.873 3.119 1.00 0.00 H new ATOM 0 HA CYS A 51 6.668 -15.139 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.697 -12.144 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.497 -12.985 5.563 1.00 0.00 H new ATOM 0 HG CYS A 51 8.780 -12.452 6.376 1.00 0.00 H new ATOM 745 N PRO A 52 5.255 -15.585 3.150 1.00 0.00 N ATOM 746 CA PRO A 52 4.305 -15.852 2.067 1.00 0.00 C ATOM 747 C PRO A 52 2.992 -15.098 2.248 1.00 0.00 C ATOM 748 O PRO A 52 2.373 -15.156 3.310 1.00 0.00 O ATOM 749 CB PRO A 52 4.072 -17.362 2.163 1.00 0.00 C ATOM 750 CG PRO A 52 4.365 -17.700 3.584 1.00 0.00 C ATOM 751 CD PRO A 52 5.453 -16.758 4.018 1.00 0.00 C ATOM 0 HA PRO A 52 4.688 -15.527 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.047 -17.622 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.726 -17.908 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.476 -17.582 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.686 -18.737 3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.362 -16.498 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.442 -17.196 3.882 1.00 0.00 H new ATOM 759 N GLY A 53 2.572 -14.389 1.204 1.00 0.00 N ATOM 760 CA GLY A 53 1.335 -13.634 1.269 1.00 0.00 C ATOM 761 C GLY A 53 1.511 -12.290 1.948 1.00 0.00 C ATOM 762 O GLY A 53 1.020 -11.272 1.460 1.00 0.00 O ATOM 0 H GLY A 53 3.067 -14.324 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.953 -13.480 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.586 -14.215 1.808 1.00 0.00 H new ATOM 766 N ASP A 54 2.211 -12.287 3.077 1.00 0.00 N ATOM 767 CA ASP A 54 2.451 -11.058 3.825 1.00 0.00 C ATOM 768 C ASP A 54 3.024 -9.973 2.918 1.00 0.00 C ATOM 769 O ASP A 54 3.753 -10.264 1.970 1.00 0.00 O ATOM 770 CB ASP A 54 3.404 -11.322 4.991 1.00 0.00 C ATOM 771 CG ASP A 54 2.937 -12.463 5.873 1.00 0.00 C ATOM 772 OD1 ASP A 54 3.176 -13.633 5.507 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.334 -12.186 6.930 1.00 0.00 O ATOM 0 H ASP A 54 2.622 -13.122 3.495 1.00 0.00 H new ATOM 0 HA ASP A 54 1.496 -10.710 4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.396 -11.550 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.498 -10.417 5.592 1.00 0.00 H new ATOM 778 N TYR A 55 2.689 -8.723 3.215 1.00 0.00 N ATOM 779 CA TYR A 55 3.168 -7.595 2.425 1.00 0.00 C ATOM 780 C TYR A 55 3.630 -6.455 3.327 1.00 0.00 C ATOM 781 O TYR A 55 3.648 -6.584 4.552 1.00 0.00 O ATOM 782 CB TYR A 55 2.068 -7.101 1.484 1.00 0.00 C ATOM 783 CG TYR A 55 1.673 -8.112 0.431 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.633 -8.877 -0.219 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.341 -8.300 0.086 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.277 -9.802 -1.182 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.025 -9.223 -0.875 1.00 0.00 C ATOM 788 CZ TYR A 55 0.947 -9.971 -1.506 1.00 0.00 C ATOM 789 OH TYR A 55 0.588 -10.891 -2.465 1.00 0.00 O ATOM 0 H TYR A 55 2.087 -8.465 3.997 1.00 0.00 H new ATOM 0 HA TYR A 55 4.019 -7.934 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.189 -6.839 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.405 -6.189 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.675 -8.747 0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.422 -7.715 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.036 -10.389 -1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.066 -9.358 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 55 1.084 -10.713 -3.291 1.00 0.00 H new ATOM 799 N VAL A 56 4.004 -5.337 2.713 1.00 0.00 N ATOM 800 CA VAL A 56 4.465 -4.172 3.459 1.00 0.00 C ATOM 801 C VAL A 56 4.362 -2.905 2.618 1.00 0.00 C ATOM 802 O VAL A 56 5.074 -2.745 1.625 1.00 0.00 O ATOM 803 CB VAL A 56 5.922 -4.346 3.928 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.801 -4.810 2.777 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.448 -3.049 4.524 1.00 0.00 C ATOM 0 H VAL A 56 3.997 -5.213 1.701 1.00 0.00 H new ATOM 0 HA VAL A 56 3.819 -4.079 4.332 1.00 0.00 H new ATOM 0 HB VAL A 56 5.948 -5.111 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.827 -4.928 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.434 -5.765 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.773 -4.070 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.478 -3.190 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.410 -2.261 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.833 -2.765 5.378 1.00 0.00 H new ATOM 815 N LEU A 57 3.472 -2.004 3.021 1.00 0.00 N ATOM 816 CA LEU A 57 3.276 -0.749 2.304 1.00 0.00 C ATOM 817 C LEU A 57 4.264 0.310 2.781 1.00 0.00 C ATOM 818 O LEU A 57 4.117 0.867 3.869 1.00 0.00 O ATOM 819 CB LEU A 57 1.843 -0.248 2.496 1.00 0.00 C ATOM 820 CG LEU A 57 1.587 1.213 2.125 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.264 1.339 0.644 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.459 1.788 2.970 1.00 0.00 C ATOM 0 H LEU A 57 2.875 -2.119 3.840 1.00 0.00 H new ATOM 0 HA LEU A 57 3.452 -0.933 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.178 -0.875 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.567 -0.390 3.541 1.00 0.00 H new ATOM 0 HG LEU A 57 2.493 1.784 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.085 2.386 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.103 0.967 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.373 0.755 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.291 2.829 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.452 1.215 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.730 1.733 4.024 1.00 0.00 H new ATOM 834 N SER A 58 5.271 0.586 1.957 1.00 0.00 N ATOM 835 CA SER A 58 6.285 1.577 2.295 1.00 0.00 C ATOM 836 C SER A 58 5.890 2.957 1.778 1.00 0.00 C ATOM 837 O SER A 58 5.542 3.118 0.608 1.00 0.00 O ATOM 838 CB SER A 58 7.640 1.171 1.712 1.00 0.00 C ATOM 839 OG SER A 58 7.949 -0.175 2.029 1.00 0.00 O ATOM 0 H SER A 58 5.406 0.137 1.051 1.00 0.00 H new ATOM 0 HA SER A 58 6.364 1.624 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.627 1.299 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.418 1.827 2.101 1.00 0.00 H new ATOM 0 HG SER A 58 8.550 -0.199 2.803 1.00 0.00 H new ATOM 845 N VAL A 59 5.945 3.951 2.659 1.00 0.00 N ATOM 846 CA VAL A 59 5.594 5.318 2.292 1.00 0.00 C ATOM 847 C VAL A 59 6.598 6.314 2.862 1.00 0.00 C ATOM 848 O VAL A 59 7.322 6.009 3.809 1.00 0.00 O ATOM 849 CB VAL A 59 4.183 5.687 2.788 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.281 4.462 2.791 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.252 6.313 4.172 1.00 0.00 C ATOM 0 H VAL A 59 6.229 3.835 3.632 1.00 0.00 H new ATOM 0 HA VAL A 59 5.613 5.369 1.203 1.00 0.00 H new ATOM 0 HB VAL A 59 3.756 6.421 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.289 4.742 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.207 4.062 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.700 3.703 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.246 6.567 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.698 5.605 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.861 7.216 4.133 1.00 0.00 H new ATOM 861 N SER A 60 6.634 7.508 2.279 1.00 0.00 N ATOM 862 CA SER A 60 7.551 8.550 2.727 1.00 0.00 C ATOM 863 C SER A 60 6.851 9.519 3.675 1.00 0.00 C ATOM 864 O SER A 60 6.096 10.390 3.243 1.00 0.00 O ATOM 865 CB SER A 60 8.116 9.312 1.526 1.00 0.00 C ATOM 866 OG SER A 60 9.232 10.099 1.902 1.00 0.00 O ATOM 0 H SER A 60 6.039 7.778 1.496 1.00 0.00 H new ATOM 0 HA SER A 60 8.371 8.072 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.410 8.606 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.343 9.951 1.100 1.00 0.00 H new ATOM 0 HG SER A 60 10.056 9.586 1.763 1.00 0.00 H new ATOM 872 N GLU A 61 7.108 9.360 4.969 1.00 0.00 N ATOM 873 CA GLU A 61 6.502 10.221 5.979 1.00 0.00 C ATOM 874 C GLU A 61 7.392 10.319 7.215 1.00 0.00 C ATOM 875 O GLU A 61 8.147 9.399 7.523 1.00 0.00 O ATOM 876 CB GLU A 61 5.122 9.690 6.372 1.00 0.00 C ATOM 877 CG GLU A 61 4.362 10.608 7.315 1.00 0.00 C ATOM 878 CD GLU A 61 3.388 9.856 8.202 1.00 0.00 C ATOM 879 OE1 GLU A 61 3.832 9.290 9.223 1.00 0.00 O ATOM 880 OE2 GLU A 61 2.184 9.834 7.875 1.00 0.00 O ATOM 0 H GLU A 61 7.731 8.644 5.343 1.00 0.00 H new ATOM 0 HA GLU A 61 6.392 11.218 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.530 9.539 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.238 8.714 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.072 11.150 7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.818 11.351 6.732 1.00 0.00 H new ATOM 887 N ASN A 62 7.296 11.443 7.918 1.00 0.00 N ATOM 888 CA ASN A 62 8.092 11.663 9.120 1.00 0.00 C ATOM 889 C ASN A 62 9.583 11.641 8.796 1.00 0.00 C ATOM 890 O ASN A 62 10.403 11.238 9.621 1.00 0.00 O ATOM 891 CB ASN A 62 7.772 10.599 10.171 1.00 0.00 C ATOM 892 CG ASN A 62 6.529 10.933 10.972 1.00 0.00 C ATOM 893 OD1 ASN A 62 6.242 12.101 11.236 1.00 0.00 O ATOM 894 ND2 ASN A 62 5.784 9.906 11.364 1.00 0.00 N ATOM 0 H ASN A 62 6.675 12.215 7.676 1.00 0.00 H new ATOM 0 HA ASN A 62 7.839 12.645 9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.636 9.636 9.679 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.620 10.494 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.936 10.069 11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.060 8.954 11.123 1.00 0.00 H new ATOM 901 N SER A 63 9.927 12.079 7.589 1.00 0.00 N ATOM 902 CA SER A 63 11.319 12.107 7.154 1.00 0.00 C ATOM 903 C SER A 63 11.917 10.703 7.155 1.00 0.00 C ATOM 904 O SER A 63 13.105 10.524 7.423 1.00 0.00 O ATOM 905 CB SER A 63 12.140 13.025 8.061 1.00 0.00 C ATOM 906 OG SER A 63 13.421 13.274 7.509 1.00 0.00 O ATOM 0 H SER A 63 9.261 12.419 6.895 1.00 0.00 H new ATOM 0 HA SER A 63 11.348 12.494 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.612 13.968 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.247 12.568 9.045 1.00 0.00 H new ATOM 0 HG SER A 63 13.858 12.422 7.298 1.00 0.00 H new ATOM 912 N ARG A 64 11.085 9.712 6.855 1.00 0.00 N ATOM 913 CA ARG A 64 11.530 8.324 6.823 1.00 0.00 C ATOM 914 C ARG A 64 10.577 7.467 5.994 1.00 0.00 C ATOM 915 O ARG A 64 9.571 7.957 5.481 1.00 0.00 O ATOM 916 CB ARG A 64 11.631 7.766 8.243 1.00 0.00 C ATOM 917 CG ARG A 64 10.286 7.606 8.932 1.00 0.00 C ATOM 918 CD ARG A 64 10.421 6.867 10.255 1.00 0.00 C ATOM 919 NE ARG A 64 9.403 7.278 11.218 1.00 0.00 N ATOM 920 CZ ARG A 64 9.404 6.904 12.492 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.365 6.117 12.955 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.443 7.319 13.308 1.00 0.00 N ATOM 0 H ARG A 64 10.099 9.844 6.631 1.00 0.00 H new ATOM 0 HA ARG A 64 12.515 8.295 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.130 6.797 8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.259 8.427 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.846 8.588 9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.604 7.062 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.343 5.794 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.411 7.050 10.673 1.00 0.00 H new ATOM 0 HE ARG A 64 8.650 7.885 10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.107 5.797 12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.363 5.832 13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.702 7.926 12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.445 7.031 14.286 1.00 0.00 H new ATOM 936 N VAL A 65 10.902 6.184 5.868 1.00 0.00 N ATOM 937 CA VAL A 65 10.075 5.258 5.103 1.00 0.00 C ATOM 938 C VAL A 65 9.251 4.366 6.025 1.00 0.00 C ATOM 939 O VAL A 65 9.779 3.450 6.655 1.00 0.00 O ATOM 940 CB VAL A 65 10.933 4.371 4.181 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.049 3.455 3.348 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.817 5.228 3.289 1.00 0.00 C ATOM 0 H VAL A 65 11.732 5.762 6.286 1.00 0.00 H new ATOM 0 HA VAL A 65 9.404 5.863 4.493 1.00 0.00 H new ATOM 0 HB VAL A 65 11.578 3.749 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.672 2.836 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.463 2.816 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.377 4.056 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.416 4.585 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.193 5.877 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.476 5.837 3.907 1.00 0.00 H new ATOM 952 N SER A 66 7.952 4.641 6.099 1.00 0.00 N ATOM 953 CA SER A 66 7.054 3.866 6.947 1.00 0.00 C ATOM 954 C SER A 66 6.730 2.519 6.307 1.00 0.00 C ATOM 955 O SER A 66 5.946 2.442 5.361 1.00 0.00 O ATOM 956 CB SER A 66 5.763 4.645 7.206 1.00 0.00 C ATOM 957 OG SER A 66 6.033 5.882 7.843 1.00 0.00 O ATOM 0 H SER A 66 7.499 5.394 5.582 1.00 0.00 H new ATOM 0 HA SER A 66 7.557 3.685 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.247 4.823 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.094 4.050 7.828 1.00 0.00 H new ATOM 0 HG SER A 66 5.192 6.362 7.996 1.00 0.00 H new ATOM 963 N HIS A 67 7.339 1.460 6.830 1.00 0.00 N ATOM 964 CA HIS A 67 7.116 0.116 6.311 1.00 0.00 C ATOM 965 C HIS A 67 5.900 -0.527 6.972 1.00 0.00 C ATOM 966 O HIS A 67 6.035 -1.407 7.822 1.00 0.00 O ATOM 967 CB HIS A 67 8.353 -0.754 6.538 1.00 0.00 C ATOM 968 CG HIS A 67 9.563 -0.280 5.793 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.936 -0.785 4.565 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.485 0.659 6.108 1.00 0.00 C ATOM 971 CE1 HIS A 67 11.036 -0.178 4.158 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.390 0.703 5.076 1.00 0.00 N ATOM 0 H HIS A 67 7.991 1.507 7.613 1.00 0.00 H new ATOM 0 HA HIS A 67 6.927 0.194 5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.579 -0.779 7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.128 -1.777 6.236 1.00 0.00 H new ATOM 0 HD1 HIS A 67 9.440 -1.513 4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.505 1.262 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.557 -0.370 3.232 1.00 0.00 H new ATOM 981 N TYR A 68 4.713 -0.080 6.576 1.00 0.00 N ATOM 982 CA TYR A 68 3.473 -0.609 7.132 1.00 0.00 C ATOM 983 C TYR A 68 3.250 -2.052 6.690 1.00 0.00 C ATOM 984 O TYR A 68 2.689 -2.307 5.624 1.00 0.00 O ATOM 985 CB TYR A 68 2.287 0.256 6.703 1.00 0.00 C ATOM 986 CG TYR A 68 2.285 1.633 7.328 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.269 1.792 8.708 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.300 2.776 6.537 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.267 3.048 9.283 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.299 4.036 7.104 1.00 0.00 C ATOM 991 CZ TYR A 68 2.282 4.167 8.477 1.00 0.00 C ATOM 992 OH TYR A 68 2.280 5.420 9.045 1.00 0.00 O ATOM 0 H TYR A 68 4.583 0.647 5.872 1.00 0.00 H new ATOM 0 HA TYR A 68 3.555 -0.589 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.297 0.359 5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.361 -0.255 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.258 0.918 9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.313 2.678 5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.254 3.153 10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.311 4.914 6.475 1.00 0.00 H new ATOM 0 HH TYR A 68 2.293 6.099 8.339 1.00 0.00 H new ATOM 1002 N ILE A 69 3.692 -2.993 7.518 1.00 0.00 N ATOM 1003 CA ILE A 69 3.539 -4.410 7.215 1.00 0.00 C ATOM 1004 C ILE A 69 2.068 -4.804 7.156 1.00 0.00 C ATOM 1005 O ILE A 69 1.324 -4.612 8.118 1.00 0.00 O ATOM 1006 CB ILE A 69 4.253 -5.289 8.259 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.755 -4.996 8.265 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.997 -6.762 7.976 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.525 -5.805 9.285 1.00 0.00 C ATOM 0 H ILE A 69 4.159 -2.799 8.404 1.00 0.00 H new ATOM 0 HA ILE A 69 3.996 -4.575 6.239 1.00 0.00 H new ATOM 0 HB ILE A 69 3.852 -5.053 9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.160 -5.197 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.909 -3.935 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.508 -7.370 8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.926 -6.960 8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.373 -7.013 6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.582 -5.545 9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.147 -5.586 10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.402 -6.867 9.075 1.00 0.00 H new ATOM 1021 N ILE A 70 1.655 -5.358 6.021 1.00 0.00 N ATOM 1022 CA ILE A 70 0.272 -5.783 5.837 1.00 0.00 C ATOM 1023 C ILE A 70 0.103 -7.262 6.166 1.00 0.00 C ATOM 1024 O ILE A 70 0.534 -8.130 5.407 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.207 -5.530 4.396 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.259 -4.028 4.108 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.572 -6.165 4.173 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.033 -3.475 3.549 1.00 0.00 C ATOM 0 H ILE A 70 2.258 -5.523 5.215 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.335 -5.190 6.522 1.00 0.00 H new ATOM 0 HB ILE A 70 0.503 -5.988 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.065 -3.829 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.503 -3.498 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.898 -5.978 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.505 -7.240 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.292 -5.733 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.923 -2.406 3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.839 -3.642 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.269 -3.978 2.611 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.529 -7.542 7.301 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.757 -8.917 7.730 1.00 0.00 C ATOM 1042 C ASN A 71 -1.719 -9.630 6.783 1.00 0.00 C ATOM 1043 O ASN A 71 -2.557 -8.997 6.141 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.313 -8.944 9.155 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.349 -8.347 10.162 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.743 -7.562 11.025 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.922 -8.717 10.056 1.00 0.00 N ATOM 0 H ASN A 71 -0.892 -6.835 7.940 1.00 0.00 H new ATOM 0 HA ASN A 71 0.199 -9.440 7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.253 -8.394 9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.536 -9.973 9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.616 -8.348 10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.204 -9.370 9.325 1.00 0.00 H new ATOM 1054 N SER A 72 -1.593 -10.950 6.704 1.00 0.00 N ATOM 1055 CA SER A 72 -2.448 -11.749 5.834 1.00 0.00 C ATOM 1056 C SER A 72 -3.481 -12.521 6.649 1.00 0.00 C ATOM 1057 O SER A 72 -3.168 -13.541 7.265 1.00 0.00 O ATOM 1058 CB SER A 72 -1.605 -12.721 5.007 1.00 0.00 C ATOM 1059 OG SER A 72 -2.394 -13.373 4.026 1.00 0.00 O ATOM 0 H SER A 72 -0.907 -11.489 7.232 1.00 0.00 H new ATOM 0 HA SER A 72 -2.973 -11.072 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.791 -12.181 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.150 -13.462 5.664 1.00 0.00 H new ATOM 0 HG SER A 72 -1.832 -13.988 3.510 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.715 -12.028 6.648 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.796 -12.671 7.387 1.00 0.00 C ATOM 1067 C LEU A 73 -6.245 -13.952 6.692 1.00 0.00 C ATOM 1068 O LEU A 73 -6.239 -14.056 5.465 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.981 -11.714 7.531 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.654 -10.315 8.056 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.876 -9.414 7.970 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.144 -10.389 9.488 1.00 0.00 C ATOM 0 H LEU A 73 -4.992 -11.186 6.144 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.422 -12.929 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.460 -11.612 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.711 -12.170 8.200 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.868 -9.888 7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.625 -8.423 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.198 -9.336 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.683 -9.837 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.916 -9.385 9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.908 -10.836 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.242 -10.999 9.522 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.645 -14.951 7.493 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.106 -16.243 6.976 1.00 0.00 C ATOM 1086 C PRO A 74 -8.455 -16.137 6.271 1.00 0.00 C ATOM 1087 O PRO A 74 -8.849 -17.034 5.527 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.227 -17.106 8.235 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.446 -16.133 9.341 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.677 -14.897 8.964 1.00 0.00 C ATOM 0 HA PRO A 74 -6.425 -16.649 6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.057 -17.808 8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.325 -17.696 8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.506 -15.911 9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.095 -16.536 10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.169 -13.993 9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.673 -14.903 9.388 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.157 -15.035 6.511 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.462 -14.812 5.898 1.00 0.00 C ATOM 1100 C ASN A 75 -10.312 -14.241 4.491 1.00 0.00 C ATOM 1101 O ASN A 75 -11.120 -13.422 4.054 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.297 -13.862 6.760 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.724 -12.459 6.795 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.526 -12.270 7.007 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.580 -11.465 6.587 1.00 0.00 N ATOM 0 H ASN A 75 -8.845 -14.283 7.125 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.972 -15.773 5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.316 -13.826 6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.355 -14.253 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.253 -10.499 6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.565 -11.668 6.415 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.274 -14.681 3.788 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.018 -14.214 2.431 1.00 0.00 C ATOM 1114 C ARG A 76 -8.957 -12.690 2.383 1.00 0.00 C ATOM 1115 O ARG A 76 -9.413 -12.071 1.421 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.104 -14.722 1.480 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.961 -16.192 1.123 1.00 0.00 C ATOM 1118 CD ARG A 76 -8.780 -16.428 0.195 1.00 0.00 C ATOM 1119 NE ARG A 76 -8.355 -17.825 0.193 1.00 0.00 N ATOM 1120 CZ ARG A 76 -7.128 -18.220 -0.129 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -6.210 -17.328 -0.475 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -6.818 -19.510 -0.107 1.00 0.00 N ATOM 0 H ARG A 76 -8.597 -15.360 4.135 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.053 -14.609 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.080 -14.561 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.080 -14.130 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.832 -16.778 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.876 -16.542 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.050 -16.130 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.946 -15.796 0.502 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.038 -18.537 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.445 -16.336 -0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.269 -17.634 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.522 -20.199 0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.876 -19.812 -0.354 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.392 -12.092 3.426 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.273 -10.641 3.504 1.00 0.00 C ATOM 1138 C ARG A 77 -6.954 -10.238 4.156 1.00 0.00 C ATOM 1139 O ARG A 77 -6.258 -11.069 4.739 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.445 -10.054 4.292 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.554 -9.499 3.413 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.533 -10.586 2.999 1.00 0.00 C ATOM 1143 NE ARG A 77 -12.651 -10.701 3.932 1.00 0.00 N ATOM 1144 CZ ARG A 77 -13.483 -11.735 3.959 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.324 -12.740 3.108 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -14.476 -11.767 4.838 1.00 0.00 N ATOM 0 H ARG A 77 -8.009 -12.590 4.230 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.292 -10.245 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.859 -10.826 4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.074 -9.259 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.086 -8.713 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.120 -9.041 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.915 -10.369 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.011 -11.541 2.940 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.801 -9.945 4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.561 -12.719 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.964 -13.534 3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.601 -10.996 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.114 -12.562 4.857 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.616 -8.957 4.052 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.380 -8.443 4.630 1.00 0.00 C ATOM 1162 C PHE A 78 -5.672 -7.544 5.829 1.00 0.00 C ATOM 1163 O PHE A 78 -6.794 -7.070 6.005 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.584 -7.667 3.579 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.134 -8.513 2.423 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -4.985 -8.767 1.359 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -2.859 -9.056 2.400 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -4.574 -9.545 0.294 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.442 -9.834 1.336 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.301 -10.080 0.283 1.00 0.00 C ATOM 0 H PHE A 78 -7.181 -8.256 3.573 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.788 -9.292 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.197 -6.848 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.710 -7.220 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.982 -8.352 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.184 -8.869 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.247 -9.735 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.445 -10.249 1.328 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.978 -10.690 -0.548 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.654 -7.316 6.651 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.799 -6.475 7.833 1.00 0.00 C ATOM 1182 C LYS A 79 -3.557 -5.615 8.045 1.00 0.00 C ATOM 1183 O LYS A 79 -2.516 -6.109 8.480 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.052 -7.338 9.071 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.092 -6.547 10.367 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.839 -7.437 11.572 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.430 -6.839 12.840 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.833 -7.286 13.062 1.00 0.00 N ATOM 0 H LYS A 79 -3.719 -7.702 6.520 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.653 -5.816 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.998 -7.866 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.271 -8.095 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.343 -5.756 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.063 -6.063 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.273 -8.421 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.766 -7.580 11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.818 -7.125 13.696 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.401 -5.751 12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.200 -6.857 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.423 -6.992 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.858 -8.322 13.148 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.674 -4.328 7.736 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.560 -3.401 7.895 1.00 0.00 C ATOM 1204 C ILE A 80 -2.484 -2.873 9.324 1.00 0.00 C ATOM 1205 O ILE A 80 -3.200 -1.943 9.692 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.677 -2.210 6.926 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.647 -1.135 7.278 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.085 -1.633 6.962 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.260 -0.262 6.105 1.00 0.00 C ATOM 0 H ILE A 80 -4.528 -3.904 7.374 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.651 -3.957 7.667 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.476 -2.563 5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.048 -0.505 8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.752 -1.616 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.151 -0.792 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.801 -2.401 6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.313 -1.292 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.527 0.477 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.829 -0.881 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.145 0.247 5.723 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.610 -3.474 10.125 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.454 -3.051 11.505 1.00 0.00 C ATOM 1223 C GLY A 81 -2.647 -3.424 12.363 1.00 0.00 C ATOM 1224 O GLY A 81 -2.749 -4.555 12.838 1.00 0.00 O ATOM 0 H GLY A 81 -1.007 -4.247 9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.555 -3.504 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.311 -1.971 11.537 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.550 -2.471 12.564 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.741 -2.704 13.373 1.00 0.00 C ATOM 1230 C ASP A 82 -6.007 -2.468 12.555 1.00 0.00 C ATOM 1231 O ASP A 82 -7.075 -2.210 13.109 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.736 -1.794 14.602 1.00 0.00 C ATOM 1233 CG ASP A 82 -3.575 -2.085 15.533 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -3.669 -3.056 16.312 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -2.573 -1.341 15.482 1.00 0.00 O ATOM 0 H ASP A 82 -3.480 -1.529 12.178 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.730 -3.743 13.701 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.688 -0.754 14.280 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.673 -1.917 15.145 1.00 0.00 H new ATOM 1240 N GLN A 83 -5.879 -2.558 11.235 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.013 -2.352 10.342 1.00 0.00 C ATOM 1242 C GLN A 83 -7.103 -3.472 9.311 1.00 0.00 C ATOM 1243 O GLN A 83 -6.087 -4.023 8.889 1.00 0.00 O ATOM 1244 CB GLN A 83 -6.894 -1.001 9.636 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.264 0.181 10.517 1.00 0.00 C ATOM 1246 CD GLN A 83 -6.508 1.443 10.150 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -6.750 2.043 9.102 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -5.585 1.852 11.013 1.00 0.00 N ATOM 0 H GLN A 83 -5.002 -2.772 10.761 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.923 -2.361 10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.871 -0.874 9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.537 -1.003 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.335 0.368 10.437 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.061 -0.069 11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.418 1.324 11.869 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.043 2.694 10.819 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.327 -3.804 8.911 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.549 -4.859 7.930 1.00 0.00 C ATOM 1259 C GLU A 84 -9.262 -4.314 6.696 1.00 0.00 C ATOM 1260 O GLU A 84 -9.982 -3.318 6.770 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.370 -5.995 8.546 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.815 -6.498 9.868 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.807 -7.356 10.629 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.610 -6.792 11.400 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.780 -8.592 10.451 1.00 0.00 O ATOM 0 H GLU A 84 -9.179 -3.358 9.251 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.577 -5.246 7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.393 -5.652 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.414 -6.825 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.909 -7.075 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.529 -5.646 10.485 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.057 -4.974 5.561 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.678 -4.555 4.310 1.00 0.00 C ATOM 1274 C PHE A 85 -10.009 -5.762 3.436 1.00 0.00 C ATOM 1275 O PHE A 85 -9.429 -6.836 3.598 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.753 -3.601 3.551 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.523 -2.298 4.262 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.422 -1.252 4.129 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.407 -2.120 5.064 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.211 -0.052 4.781 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.191 -0.922 5.719 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.095 0.113 5.579 1.00 0.00 C ATOM 0 H PHE A 85 -8.466 -5.801 5.482 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.606 -4.036 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.793 -4.091 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.179 -3.399 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.297 -1.376 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.698 -2.926 5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.918 0.756 4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.316 -0.795 6.340 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.930 1.049 6.092 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.945 -5.577 2.512 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.354 -6.649 1.613 1.00 0.00 C ATOM 1294 C ASP A 86 -10.159 -7.191 0.835 1.00 0.00 C ATOM 1295 O ASP A 86 -10.130 -8.364 0.459 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.426 -6.149 0.643 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.238 -7.280 0.043 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -12.659 -8.358 -0.208 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.452 -7.088 -0.174 1.00 0.00 O ATOM 0 H ASP A 86 -11.435 -4.694 2.366 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.769 -7.457 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.094 -5.464 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.951 -5.582 -0.158 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.175 -6.330 0.595 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.978 -6.723 -0.139 1.00 0.00 C ATOM 1306 C HIS A 87 -6.971 -5.577 -0.188 1.00 0.00 C ATOM 1307 O HIS A 87 -7.177 -4.529 0.425 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.343 -7.157 -1.559 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.469 -6.368 -2.155 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.320 -5.079 -2.621 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.766 -6.695 -2.361 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.478 -4.646 -3.087 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.372 -5.607 -2.941 1.00 0.00 N ATOM 0 H HIS A 87 -9.183 -5.356 0.898 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.521 -7.564 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.465 -7.060 -2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.615 -8.212 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.237 -7.635 -2.115 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.662 -3.672 -3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.353 -5.551 -3.214 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.882 -5.784 -0.920 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.842 -4.769 -1.048 1.00 0.00 C ATOM 1324 C LEU A 88 -5.413 -3.473 -1.614 1.00 0.00 C ATOM 1325 O LEU A 88 -5.350 -2.414 -0.990 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.713 -5.278 -1.947 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.530 -5.932 -1.234 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.498 -6.413 -2.242 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.900 -4.962 -0.245 1.00 0.00 C ATOM 0 H LEU A 88 -5.696 -6.645 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.443 -4.565 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.132 -5.999 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.339 -4.440 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.898 -6.796 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.663 -6.876 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.955 -7.143 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.135 -5.566 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.059 -5.445 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.548 -4.078 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.641 -4.667 0.498 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.986 -3.557 -2.824 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.582 -2.401 -3.499 1.00 0.00 C ATOM 1343 C PRO A 89 -7.862 -1.928 -2.818 1.00 0.00 C ATOM 1344 O PRO A 89 -8.581 -1.081 -3.347 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.888 -2.929 -4.903 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.041 -4.400 -4.729 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.096 -4.787 -3.625 1.00 0.00 C ATOM 0 HA PRO A 89 -5.918 -1.537 -3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.797 -2.481 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.082 -2.694 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.068 -4.658 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.801 -4.929 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.485 -5.617 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.128 -5.100 -4.016 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.139 -2.479 -1.641 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.330 -2.111 -0.886 1.00 0.00 C ATOM 1357 C ALA A 90 -8.971 -1.259 0.326 1.00 0.00 C ATOM 1358 O ALA A 90 -9.831 -0.599 0.911 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.085 -3.359 -0.451 1.00 0.00 C ATOM 0 H ALA A 90 -7.554 -3.182 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.973 -1.518 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.972 -3.070 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.383 -3.929 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.441 -3.973 0.178 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.696 -1.277 0.699 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.222 -0.505 1.843 1.00 0.00 C ATOM 1367 C LEU A 91 -6.599 0.812 1.391 1.00 0.00 C ATOM 1368 O LEU A 91 -6.820 1.857 2.004 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.202 -1.317 2.643 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.817 -1.463 2.013 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.931 -0.287 2.393 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.174 -2.776 2.436 1.00 0.00 C ATOM 0 H LEU A 91 -6.972 -1.818 0.226 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.078 -0.281 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.086 -0.853 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.611 -2.314 2.809 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.931 -1.470 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.949 -0.408 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.384 0.639 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.824 -0.248 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.189 -2.863 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.073 -2.799 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.799 -3.608 2.112 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.823 0.754 0.315 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.169 1.943 -0.221 1.00 0.00 C ATOM 1386 C LEU A 92 -6.195 3.012 -0.584 1.00 0.00 C ATOM 1387 O LEU A 92 -5.933 4.207 -0.454 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.336 1.580 -1.452 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.343 0.431 -1.275 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.899 -0.103 -2.628 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.142 0.884 -0.458 1.00 0.00 C ATOM 0 H LEU A 92 -5.631 -0.103 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.511 2.344 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.017 1.324 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.784 2.466 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.841 -0.374 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.192 -0.920 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.767 -0.467 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.419 0.695 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.446 0.053 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.643 1.707 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.475 1.217 0.525 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.365 2.572 -1.038 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.431 3.491 -1.418 1.00 0.00 C ATOM 1405 C GLU A 93 -9.127 4.057 -0.184 1.00 0.00 C ATOM 1406 O GLU A 93 -9.720 5.135 -0.232 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.450 2.783 -2.313 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.112 1.586 -1.652 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.504 1.318 -2.190 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.632 1.057 -3.404 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.467 1.371 -1.395 1.00 0.00 O ATOM 0 H GLU A 93 -7.598 1.585 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.984 4.317 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.220 3.496 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.953 2.455 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.492 0.703 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.168 1.755 -0.577 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.052 3.322 0.920 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.676 3.748 2.167 1.00 0.00 C ATOM 1420 C PHE A 94 -8.768 4.710 2.928 1.00 0.00 C ATOM 1421 O PHE A 94 -9.207 5.396 3.852 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.999 2.535 3.041 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.184 2.743 3.941 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -11.040 3.383 5.161 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -12.442 2.298 3.566 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -12.129 3.576 5.991 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -13.534 2.489 4.391 1.00 0.00 C ATOM 1428 CZ PHE A 94 -13.377 3.128 5.606 1.00 0.00 C ATOM 0 H PHE A 94 -8.565 2.428 0.977 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.603 4.267 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.187 1.674 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.128 2.294 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -10.066 3.735 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.570 1.796 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.003 4.077 6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -14.509 2.139 4.086 1.00 0.00 H new ATOM 0 HZ PHE A 94 -14.229 3.277 6.253 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.501 4.754 2.534 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.529 5.629 3.180 1.00 0.00 C ATOM 1440 C TYR A 95 -6.440 6.971 2.459 1.00 0.00 C ATOM 1441 O TYR A 95 -5.883 7.935 2.982 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.153 4.962 3.213 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.940 4.073 4.417 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.234 4.524 5.699 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.444 2.783 4.274 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.040 3.715 6.802 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.248 1.968 5.372 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.548 2.438 6.633 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.353 1.629 7.729 1.00 0.00 O ATOM 0 H TYR A 95 -7.122 4.194 1.770 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.862 5.808 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.024 4.370 2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.384 5.734 3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.620 5.523 5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.208 2.411 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.272 4.081 7.791 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.862 0.968 5.243 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.191 1.551 8.231 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.994 7.024 1.252 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.980 8.246 0.456 1.00 0.00 C ATOM 1461 C LYS A 96 -7.628 9.398 1.217 1.00 0.00 C ATOM 1462 O LYS A 96 -7.406 10.567 0.900 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.708 8.023 -0.871 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.917 7.193 -1.867 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.659 7.047 -3.185 1.00 0.00 C ATOM 1466 CE LYS A 96 -6.702 6.778 -4.336 1.00 0.00 C ATOM 1467 NZ LYS A 96 -6.417 5.324 -4.493 1.00 0.00 N ATOM 0 H LYS A 96 -7.458 6.234 0.804 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.941 8.507 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.660 7.530 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.936 8.991 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.948 7.661 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.723 6.206 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.378 6.232 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.227 7.955 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.128 7.166 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.769 7.315 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.409 5.146 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.992 4.783 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.651 5.027 -5.462 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.429 9.060 2.222 1.00 0.00 N ATOM 1482 CA ILE A 97 -9.107 10.067 3.029 1.00 0.00 C ATOM 1483 C ILE A 97 -8.601 10.051 4.468 1.00 0.00 C ATOM 1484 O ILE A 97 -8.515 11.093 5.119 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.632 9.854 3.031 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.983 8.526 3.705 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -11.174 9.892 1.610 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.462 8.356 3.973 1.00 0.00 C ATOM 0 H ILE A 97 -8.624 8.097 2.497 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.884 11.034 2.579 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.096 10.661 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.640 7.706 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.440 8.452 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.253 9.740 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.951 10.860 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.706 9.103 1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.637 7.393 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.807 9.155 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -13.010 8.398 3.031 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.266 8.862 4.958 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.766 8.709 6.320 1.00 0.00 C ATOM 1502 C HIS A 98 -6.248 8.854 6.360 1.00 0.00 C ATOM 1503 O HIS A 98 -5.537 8.281 5.533 1.00 0.00 O ATOM 1504 CB HIS A 98 -8.176 7.350 6.887 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.618 7.277 7.285 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.252 6.095 7.602 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.550 8.249 7.417 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.512 6.342 7.911 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.719 7.643 7.807 1.00 0.00 N ATOM 0 H HIS A 98 -8.332 7.990 4.433 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.205 9.496 6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.973 6.579 6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.556 7.126 7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.402 9.305 7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.248 5.606 8.200 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.603 8.119 7.987 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.757 9.624 7.325 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.323 9.846 7.471 1.00 0.00 C ATOM 1520 C TYR A 99 -3.690 8.765 8.341 1.00 0.00 C ATOM 1521 O TYR A 99 -3.979 8.664 9.534 1.00 0.00 O ATOM 1522 CB TYR A 99 -4.059 11.225 8.078 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.671 12.361 7.289 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -6.043 12.581 7.300 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.877 13.214 6.532 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.606 13.617 6.580 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.431 14.254 5.811 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.796 14.451 5.838 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.352 15.484 5.119 1.00 0.00 O ATOM 0 H TYR A 99 -6.331 10.105 8.018 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.871 9.800 6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.452 11.247 9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.983 11.381 8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.680 11.931 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.808 13.061 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.675 13.773 6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.799 14.909 5.230 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.644 15.976 4.653 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.824 7.960 7.736 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.148 6.885 8.454 1.00 0.00 C ATOM 1541 C LEU A 100 -1.598 7.383 9.787 1.00 0.00 C ATOM 1542 O LEU A 100 -2.062 6.978 10.852 1.00 0.00 O ATOM 1543 CB LEU A 100 -1.013 6.311 7.603 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.415 5.751 6.238 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.269 5.885 5.248 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.847 4.298 6.365 1.00 0.00 C ATOM 0 H LEU A 100 -2.573 8.031 6.750 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.877 6.100 8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.270 7.094 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.526 5.517 8.170 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.260 6.329 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.573 5.481 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.007 6.937 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.596 5.333 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.130 3.915 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.022 3.706 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.700 4.230 7.041 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.607 8.266 9.719 1.00 0.00 N ATOM 1559 CA ASP A 101 0.005 8.822 10.920 1.00 0.00 C ATOM 1560 C ASP A 101 -0.017 10.347 10.884 1.00 0.00 C ATOM 1561 O ASP A 101 -0.643 10.991 11.727 1.00 0.00 O ATOM 1562 CB ASP A 101 1.444 8.324 11.063 1.00 0.00 C ATOM 1563 CG ASP A 101 1.878 8.217 12.511 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.674 9.191 13.266 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.421 7.158 12.891 1.00 0.00 O ATOM 0 H ASP A 101 -0.211 8.612 8.845 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.574 8.488 11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.537 7.348 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.114 9.002 10.535 1.00 0.00 H new ATOM 1570 N THR A 102 0.672 10.921 9.902 1.00 0.00 N ATOM 1571 CA THR A 102 0.734 12.370 9.757 1.00 0.00 C ATOM 1572 C THR A 102 0.370 12.797 8.340 1.00 0.00 C ATOM 1573 O THR A 102 0.236 13.987 8.053 1.00 0.00 O ATOM 1574 CB THR A 102 2.135 12.910 10.100 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.089 14.333 10.251 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.137 12.542 9.016 1.00 0.00 C ATOM 0 H THR A 102 1.195 10.404 9.195 1.00 0.00 H new ATOM 0 HA THR A 102 0.010 12.788 10.457 1.00 0.00 H new ATOM 0 HB THR A 102 2.455 12.456 11.038 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.382 14.700 9.680 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.119 12.934 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.192 11.457 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.819 12.971 8.066 1.00 0.00 H new ATOM 1584 N THR A 103 0.210 11.818 7.454 1.00 0.00 N ATOM 1585 CA THR A 103 -0.138 12.093 6.066 1.00 0.00 C ATOM 1586 C THR A 103 -0.952 10.952 5.467 1.00 0.00 C ATOM 1587 O THR A 103 -1.194 9.937 6.122 1.00 0.00 O ATOM 1588 CB THR A 103 1.120 12.318 5.206 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.777 13.036 4.015 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.767 10.992 4.836 1.00 0.00 C ATOM 0 H THR A 103 0.316 10.828 7.674 1.00 0.00 H new ATOM 0 HA THR A 103 -0.738 13.003 6.065 1.00 0.00 H new ATOM 0 HB THR A 103 1.832 12.901 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.582 13.177 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.653 11.176 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.053 10.461 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.059 10.387 4.270 1.00 0.00 H new ATOM 1598 N THR A 104 -1.373 11.123 4.218 1.00 0.00 N ATOM 1599 CA THR A 104 -2.160 10.108 3.531 1.00 0.00 C ATOM 1600 C THR A 104 -1.455 9.626 2.268 1.00 0.00 C ATOM 1601 O THR A 104 -0.348 10.068 1.956 1.00 0.00 O ATOM 1602 CB THR A 104 -3.557 10.638 3.155 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.434 11.747 2.257 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.325 11.067 4.396 1.00 0.00 C ATOM 0 H THR A 104 -1.182 11.956 3.661 1.00 0.00 H new ATOM 0 HA THR A 104 -2.271 9.273 4.223 1.00 0.00 H new ATOM 0 HB THR A 104 -4.107 9.834 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.326 12.077 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.308 11.438 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.442 10.214 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.776 11.857 4.908 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.103 8.720 1.543 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.537 8.179 0.312 1.00 0.00 C ATOM 1614 C LEU A 105 -1.845 9.088 -0.874 1.00 0.00 C ATOM 1615 O LEU A 105 -3.007 9.292 -1.227 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.086 6.776 0.049 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.833 5.740 1.146 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.500 4.419 0.796 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.339 5.545 1.360 1.00 0.00 C ATOM 0 H LEU A 105 -3.020 8.345 1.786 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.455 8.123 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.162 6.852 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.652 6.406 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.268 6.108 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.309 3.694 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.575 4.570 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.095 4.045 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.177 4.805 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.119 5.199 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.113 6.492 1.656 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.797 9.630 -1.485 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.956 10.514 -2.633 1.00 0.00 C ATOM 1633 C ILE A 106 -0.838 9.741 -3.943 1.00 0.00 C ATOM 1634 O ILE A 106 -1.820 9.569 -4.663 1.00 0.00 O ATOM 1635 CB ILE A 106 0.089 11.645 -2.622 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.024 12.415 -1.301 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.132 12.582 -3.800 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.287 13.139 -1.088 1.00 0.00 C ATOM 0 H ILE A 106 0.171 9.473 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.952 10.950 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 106 1.082 11.204 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.184 11.720 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.839 13.139 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.614 13.376 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.041 12.023 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.129 13.019 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.262 13.663 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.440 13.858 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.105 12.418 -1.085 1.00 0.00 H new ATOM 1650 N GLU A 107 0.371 9.276 -4.242 1.00 0.00 N ATOM 1651 CA GLU A 107 0.617 8.521 -5.465 1.00 0.00 C ATOM 1652 C GLU A 107 1.726 7.493 -5.256 1.00 0.00 C ATOM 1653 O GLU A 107 2.700 7.731 -4.541 1.00 0.00 O ATOM 1654 CB GLU A 107 0.991 9.466 -6.609 1.00 0.00 C ATOM 1655 CG GLU A 107 2.371 10.085 -6.459 1.00 0.00 C ATOM 1656 CD GLU A 107 2.657 11.133 -7.517 1.00 0.00 C ATOM 1657 OE1 GLU A 107 3.125 10.759 -8.613 1.00 0.00 O ATOM 1658 OE2 GLU A 107 2.413 12.328 -7.249 1.00 0.00 O ATOM 0 H GLU A 107 1.194 9.409 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.300 7.993 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.948 8.919 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.249 10.262 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.457 10.538 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.125 9.300 -6.516 1.00 0.00 H new ATOM 1665 N PRO A 108 1.576 6.323 -5.894 1.00 0.00 N ATOM 1666 CA PRO A 108 2.554 5.236 -5.794 1.00 0.00 C ATOM 1667 C PRO A 108 3.863 5.567 -6.503 1.00 0.00 C ATOM 1668 O PRO A 108 3.862 6.032 -7.642 1.00 0.00 O ATOM 1669 CB PRO A 108 1.853 4.064 -6.485 1.00 0.00 C ATOM 1670 CG PRO A 108 0.890 4.700 -7.427 1.00 0.00 C ATOM 1671 CD PRO A 108 0.440 5.972 -6.763 1.00 0.00 C ATOM 0 HA PRO A 108 2.834 5.033 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.566 3.433 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.340 3.429 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.362 4.907 -8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.044 4.042 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.235 6.755 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.475 5.824 -6.189 1.00 0.00 H new ATOM 1679 N ALA A 109 4.978 5.322 -5.822 1.00 0.00 N ATOM 1680 CA ALA A 109 6.293 5.592 -6.388 1.00 0.00 C ATOM 1681 C ALA A 109 6.399 5.054 -7.811 1.00 0.00 C ATOM 1682 O ALA A 109 5.609 4.216 -8.244 1.00 0.00 O ATOM 1683 CB ALA A 109 7.379 4.987 -5.510 1.00 0.00 C ATOM 0 H ALA A 109 4.996 4.937 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 109 6.431 6.673 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.357 5.196 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.325 5.422 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.235 3.909 -5.444 1.00 0.00 H new ATOM 1689 N PRO A 110 7.399 5.547 -8.557 1.00 0.00 N ATOM 1690 CA PRO A 110 7.632 5.129 -9.943 1.00 0.00 C ATOM 1691 C PRO A 110 8.136 3.694 -10.039 1.00 0.00 C ATOM 1692 O PRO A 110 8.868 3.223 -9.168 1.00 0.00 O ATOM 1693 CB PRO A 110 8.704 6.107 -10.433 1.00 0.00 C ATOM 1694 CG PRO A 110 9.414 6.540 -9.197 1.00 0.00 C ATOM 1695 CD PRO A 110 8.380 6.548 -8.106 1.00 0.00 C ATOM 0 HA PRO A 110 6.716 5.148 -10.534 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.387 5.627 -11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.258 6.956 -10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.230 5.858 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.853 7.529 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.812 6.281 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.926 7.532 -7.990 1.00 0.00 H new ATOM 1703 N ARG A 111 7.741 3.002 -11.103 1.00 0.00 N ATOM 1704 CA ARG A 111 8.153 1.620 -11.312 1.00 0.00 C ATOM 1705 C ARG A 111 8.674 1.416 -12.732 1.00 0.00 C ATOM 1706 O ARG A 111 9.675 0.733 -12.944 1.00 0.00 O ATOM 1707 CB ARG A 111 6.983 0.671 -11.046 1.00 0.00 C ATOM 1708 CG ARG A 111 5.742 0.989 -11.865 1.00 0.00 C ATOM 1709 CD ARG A 111 5.728 0.220 -13.176 1.00 0.00 C ATOM 1710 NE ARG A 111 4.828 0.823 -14.155 1.00 0.00 N ATOM 1711 CZ ARG A 111 5.174 1.828 -14.951 1.00 0.00 C ATOM 1712 NH1 ARG A 111 6.396 2.340 -14.885 1.00 0.00 N ATOM 1713 NH2 ARG A 111 4.299 2.324 -15.816 1.00 0.00 N ATOM 0 H ARG A 111 7.136 3.377 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 111 8.959 1.398 -10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.298 -0.350 -11.261 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.729 0.709 -9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.851 0.743 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.704 2.059 -12.069 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.737 0.184 -13.586 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.423 -0.810 -12.989 1.00 0.00 H new ATOM 0 HE ARG A 111 3.881 0.452 -14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.072 1.962 -14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.659 3.112 -15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.358 1.933 -15.871 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.567 3.096 -16.426 1.00 0.00 H new TER 1727 ARG A 111