USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 5 SER OG : rot 178:sc= 0.97 USER MOD Set 1.2: A 88 SER OG : rot -178:sc= 1.1 USER MOD Set 2.1: A 41 MET CE :methyl -161:sc= -0.423 (180deg=-1.29!) USER MOD Set 2.2: A 43 MET CE :methyl -115:sc=-0.000365 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.21) USER MOD Single : A 8 HIS : no HD1:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 1.26 (180deg=1.18) USER MOD Single : A 12 SER OG : rot -79:sc= 0.0225 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -72:sc= 0.499 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.386! C(o=-0.39!,f=-8.5!) USER MOD Single : A 36 HIS : no HE2:sc= 0.482 K(o=0.48,f=-5.2!) USER MOD Single : A 38 MET CE :methyl -158:sc= -0.113 (180deg=-0.679) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00997) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 65 TYR OH : rot 82:sc= 0.768 USER MOD Single : A 71 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3!) USER MOD Single : A 72 THR OG1 : rot 71:sc= 2.12 USER MOD Single : A 73 SER OG : rot 60:sc= 0.804 USER MOD Single : A 74 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.7) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.825 K(o=-0.83,f=-1.4!) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 1.27 (180deg=0.98) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 5.261 0.481 11.019 1.00 11.32 N ATOM 50 CA GLN A 4 5.673 -0.516 10.021 1.00 62.55 C ATOM 51 C GLN A 4 4.949 -1.856 10.224 1.00 23.44 C ATOM 52 O GLN A 4 5.126 -2.522 11.248 1.00 74.05 O ATOM 53 CB GLN A 4 7.189 -0.738 10.085 1.00 53.41 C ATOM 54 CG GLN A 4 8.007 0.547 10.011 1.00 25.43 C ATOM 55 CD GLN A 4 9.506 0.298 9.921 1.00 24.05 C ATOM 56 OE1 GLN A 4 10.248 1.103 9.367 1.00 30.41 O ATOM 57 NE2 GLN A 4 9.964 -0.824 10.443 1.00 53.22 N ATOM 0 HA GLN A 4 5.400 -0.127 9.040 1.00 62.55 H new ATOM 0 HB2 GLN A 4 7.431 -1.258 11.012 1.00 53.41 H new ATOM 0 HB3 GLN A 4 7.485 -1.393 9.266 1.00 53.41 H new ATOM 0 HG2 GLN A 4 7.688 1.124 9.143 1.00 25.43 H new ATOM 0 HG3 GLN A 4 7.798 1.154 10.892 1.00 25.43 H new ATOM 0 HE21 GLN A 4 9.323 -1.474 10.897 1.00 53.22 H new ATOM 0 HE22 GLN A 4 10.959 -1.041 10.392 1.00 53.22 H new ATOM 66 N SER A 5 4.138 -2.252 9.248 1.00 11.52 N ATOM 67 CA SER A 5 3.413 -3.532 9.309 1.00 1.21 C ATOM 68 C SER A 5 3.973 -4.545 8.308 1.00 13.03 C ATOM 69 O SER A 5 4.314 -4.199 7.183 1.00 12.12 O ATOM 70 CB SER A 5 1.917 -3.318 9.054 1.00 41.21 C ATOM 71 OG SER A 5 1.323 -2.561 10.101 1.00 71.12 O ATOM 0 H SER A 5 3.961 -1.710 8.402 1.00 11.52 H new ATOM 0 HA SER A 5 3.550 -3.936 10.312 1.00 1.21 H new ATOM 0 HB2 SER A 5 1.777 -2.803 8.104 1.00 41.21 H new ATOM 0 HB3 SER A 5 1.417 -4.283 8.970 1.00 41.21 H new ATOM 0 HG SER A 5 0.376 -2.411 9.899 1.00 71.12 H new ATOM 77 N ASP A 6 4.061 -5.802 8.733 1.00 53.43 N ATOM 78 CA ASP A 6 4.650 -6.867 7.916 1.00 12.52 C ATOM 79 C ASP A 6 3.679 -7.378 6.831 1.00 13.41 C ATOM 80 O ASP A 6 2.475 -7.503 7.066 1.00 45.12 O ATOM 81 CB ASP A 6 5.076 -8.018 8.826 1.00 64.02 C ATOM 82 CG ASP A 6 5.737 -9.144 8.066 1.00 15.11 C ATOM 83 OD1 ASP A 6 6.888 -8.977 7.627 1.00 44.14 O ATOM 84 OD2 ASP A 6 5.110 -10.207 7.916 1.00 21.34 O ATOM 0 H ASP A 6 3.730 -6.113 9.646 1.00 53.43 H new ATOM 0 HA ASP A 6 5.516 -6.455 7.398 1.00 12.52 H new ATOM 0 HB2 ASP A 6 5.764 -7.642 9.583 1.00 64.02 H new ATOM 0 HB3 ASP A 6 4.202 -8.403 9.352 1.00 64.02 H new ATOM 89 N ALA A 7 4.224 -7.694 5.651 1.00 60.04 N ATOM 90 CA ALA A 7 3.422 -8.201 4.524 1.00 23.42 C ATOM 91 C ALA A 7 2.696 -9.512 4.872 1.00 12.40 C ATOM 92 O ALA A 7 1.520 -9.688 4.551 1.00 54.12 O ATOM 93 CB ALA A 7 4.307 -8.392 3.295 1.00 1.15 C ATOM 0 H ALA A 7 5.220 -7.608 5.448 1.00 60.04 H new ATOM 0 HA ALA A 7 2.656 -7.457 4.305 1.00 23.42 H new ATOM 0 HB1 ALA A 7 3.705 -8.767 2.468 1.00 1.15 H new ATOM 0 HB2 ALA A 7 4.753 -7.437 3.016 1.00 1.15 H new ATOM 0 HB3 ALA A 7 5.096 -9.108 3.523 1.00 1.15 H new ATOM 99 N HIS A 8 3.400 -10.423 5.536 1.00 45.42 N ATOM 100 CA HIS A 8 2.823 -11.709 5.946 1.00 21.32 C ATOM 101 C HIS A 8 1.711 -11.525 6.994 1.00 20.50 C ATOM 102 O HIS A 8 0.698 -12.230 6.975 1.00 34.13 O ATOM 103 CB HIS A 8 3.935 -12.635 6.467 1.00 10.12 C ATOM 104 CG HIS A 8 3.473 -13.673 7.441 1.00 62.33 C ATOM 105 ND1 HIS A 8 2.960 -14.892 7.066 1.00 63.54 N ATOM 106 CD2 HIS A 8 3.444 -13.655 8.793 1.00 22.12 C ATOM 107 CE1 HIS A 8 2.642 -15.582 8.137 1.00 24.44 C ATOM 108 NE2 HIS A 8 2.924 -14.857 9.202 1.00 15.10 N ATOM 0 H HIS A 8 4.376 -10.298 5.805 1.00 45.42 H new ATOM 0 HA HIS A 8 2.360 -12.172 5.075 1.00 21.32 H new ATOM 0 HB2 HIS A 8 4.402 -13.134 5.618 1.00 10.12 H new ATOM 0 HB3 HIS A 8 4.704 -12.026 6.942 1.00 10.12 H new ATOM 0 HD2 HIS A 8 3.769 -12.846 9.431 1.00 22.12 H new ATOM 0 HE1 HIS A 8 2.220 -16.576 8.144 1.00 24.44 H new ATOM 0 HE2 HIS A 8 2.779 -15.143 10.170 1.00 15.10 H new ATOM 117 N VAL A 9 1.908 -10.585 7.912 1.00 72.41 N ATOM 118 CA VAL A 9 0.880 -10.259 8.904 1.00 73.03 C ATOM 119 C VAL A 9 -0.366 -9.669 8.224 1.00 71.11 C ATOM 120 O VAL A 9 -1.495 -9.985 8.593 1.00 3.34 O ATOM 121 CB VAL A 9 1.417 -9.283 9.982 1.00 3.41 C ATOM 122 CG1 VAL A 9 0.312 -8.868 10.956 1.00 45.43 C ATOM 123 CG2 VAL A 9 2.585 -9.924 10.731 1.00 14.11 C ATOM 0 H VAL A 9 2.764 -10.036 7.993 1.00 72.41 H new ATOM 0 HA VAL A 9 0.601 -11.188 9.402 1.00 73.03 H new ATOM 0 HB VAL A 9 1.770 -8.381 9.482 1.00 3.41 H new ATOM 0 HG11 VAL A 9 0.721 -8.184 11.700 1.00 45.43 H new ATOM 0 HG12 VAL A 9 -0.489 -8.372 10.408 1.00 45.43 H new ATOM 0 HG13 VAL A 9 -0.084 -9.752 11.455 1.00 45.43 H new ATOM 0 HG21 VAL A 9 2.957 -9.232 11.487 1.00 14.11 H new ATOM 0 HG22 VAL A 9 2.248 -10.841 11.214 1.00 14.11 H new ATOM 0 HG23 VAL A 9 3.385 -10.157 10.028 1.00 14.11 H new ATOM 133 N LEU A 10 -0.149 -8.833 7.209 1.00 41.20 N ATOM 134 CA LEU A 10 -1.250 -8.278 6.413 1.00 43.32 C ATOM 135 C LEU A 10 -1.996 -9.388 5.649 1.00 51.33 C ATOM 136 O LEU A 10 -3.226 -9.438 5.659 1.00 64.02 O ATOM 137 CB LEU A 10 -0.715 -7.228 5.428 1.00 61.01 C ATOM 138 CG LEU A 10 -1.778 -6.565 4.532 1.00 72.34 C ATOM 139 CD1 LEU A 10 -2.841 -5.868 5.378 1.00 3.40 C ATOM 140 CD2 LEU A 10 -1.131 -5.582 3.556 1.00 43.41 C ATOM 0 H LEU A 10 0.778 -8.524 6.916 1.00 41.20 H new ATOM 0 HA LEU A 10 -1.954 -7.802 7.095 1.00 43.32 H new ATOM 0 HB2 LEU A 10 -0.204 -6.449 5.994 1.00 61.01 H new ATOM 0 HB3 LEU A 10 0.032 -7.700 4.789 1.00 61.01 H new ATOM 0 HG LEU A 10 -2.266 -7.347 3.950 1.00 72.34 H new ATOM 0 HD11 LEU A 10 -3.581 -5.407 4.724 1.00 3.40 H new ATOM 0 HD12 LEU A 10 -3.330 -6.599 6.022 1.00 3.40 H new ATOM 0 HD13 LEU A 10 -2.371 -5.100 5.993 1.00 3.40 H new ATOM 0 HD21 LEU A 10 -1.902 -5.127 2.934 1.00 43.41 H new ATOM 0 HD22 LEU A 10 -0.609 -4.805 4.115 1.00 43.41 H new ATOM 0 HD23 LEU A 10 -0.420 -6.113 2.923 1.00 43.41 H new ATOM 152 N LYS A 11 -1.239 -10.274 4.997 1.00 14.13 N ATOM 153 CA LYS A 11 -1.810 -11.414 4.260 1.00 32.53 C ATOM 154 C LYS A 11 -2.764 -12.247 5.132 1.00 25.04 C ATOM 155 O LYS A 11 -3.874 -12.590 4.721 1.00 71.43 O ATOM 156 CB LYS A 11 -0.697 -12.310 3.743 1.00 52.20 C ATOM 157 CG LYS A 11 -1.229 -13.402 2.839 1.00 65.53 C ATOM 158 CD LYS A 11 -0.122 -14.229 2.234 1.00 62.31 C ATOM 159 CE LYS A 11 -0.682 -15.344 1.375 1.00 51.43 C ATOM 160 NZ LYS A 11 -1.178 -16.489 2.180 1.00 22.44 N ATOM 0 H LYS A 11 -0.221 -10.226 4.962 1.00 14.13 H new ATOM 0 HA LYS A 11 -2.382 -11.005 3.427 1.00 32.53 H new ATOM 0 HB2 LYS A 11 0.030 -11.709 3.197 1.00 52.20 H new ATOM 0 HB3 LYS A 11 -0.171 -12.759 4.585 1.00 52.20 H new ATOM 0 HG2 LYS A 11 -1.895 -14.050 3.408 1.00 65.53 H new ATOM 0 HG3 LYS A 11 -1.823 -12.955 2.042 1.00 65.53 H new ATOM 0 HD2 LYS A 11 0.525 -13.591 1.631 1.00 62.31 H new ATOM 0 HD3 LYS A 11 0.496 -14.651 3.027 1.00 62.31 H new ATOM 0 HE2 LYS A 11 -1.496 -14.954 0.765 1.00 51.43 H new ATOM 0 HE3 LYS A 11 0.091 -15.693 0.690 1.00 51.43 H new ATOM 0 HZ1 LYS A 11 -0.890 -17.381 1.729 1.00 22.44 H new ATOM 0 HZ2 LYS A 11 -0.776 -16.440 3.138 1.00 22.44 H new ATOM 0 HZ3 LYS A 11 -2.216 -16.449 2.238 1.00 22.44 H new ATOM 174 N SER A 12 -2.327 -12.545 6.346 1.00 51.10 N ATOM 175 CA SER A 12 -3.101 -13.392 7.264 1.00 1.44 C ATOM 176 C SER A 12 -4.298 -12.621 7.820 1.00 53.40 C ATOM 177 O SER A 12 -5.409 -13.142 7.906 1.00 30.15 O ATOM 178 CB SER A 12 -2.215 -13.898 8.409 1.00 50.04 C ATOM 179 OG SER A 12 -1.614 -12.821 9.115 1.00 0.12 O ATOM 0 H SER A 12 -1.440 -12.216 6.726 1.00 51.10 H new ATOM 0 HA SER A 12 -3.470 -14.253 6.707 1.00 1.44 H new ATOM 0 HB2 SER A 12 -2.813 -14.497 9.096 1.00 50.04 H new ATOM 0 HB3 SER A 12 -1.439 -14.551 8.009 1.00 50.04 H new ATOM 0 HG SER A 12 -0.849 -12.482 8.605 1.00 0.12 H new ATOM 185 N ARG A 13 -4.062 -11.371 8.188 1.00 52.32 N ATOM 186 CA ARG A 13 -5.134 -10.468 8.604 1.00 40.33 C ATOM 187 C ARG A 13 -6.172 -10.268 7.476 1.00 4.21 C ATOM 188 O ARG A 13 -7.345 -10.004 7.739 1.00 24.21 O ATOM 189 CB ARG A 13 -4.536 -9.125 9.057 1.00 30.41 C ATOM 190 CG ARG A 13 -5.511 -7.961 8.976 1.00 63.24 C ATOM 191 CD ARG A 13 -4.963 -6.694 9.626 1.00 43.55 C ATOM 192 NE ARG A 13 -5.944 -5.607 9.615 1.00 73.41 N ATOM 193 CZ ARG A 13 -5.829 -4.499 10.301 1.00 31.02 C ATOM 194 NH1 ARG A 13 -4.803 -4.282 11.060 1.00 34.51 N ATOM 195 NH2 ARG A 13 -6.754 -3.602 10.224 1.00 21.45 N ATOM 0 H ARG A 13 -3.132 -10.953 8.208 1.00 52.32 H new ATOM 0 HA ARG A 13 -5.661 -10.918 9.446 1.00 40.33 H new ATOM 0 HB2 ARG A 13 -4.185 -9.222 10.084 1.00 30.41 H new ATOM 0 HB3 ARG A 13 -3.664 -8.900 8.442 1.00 30.41 H new ATOM 0 HG2 ARG A 13 -5.743 -7.758 7.931 1.00 63.24 H new ATOM 0 HG3 ARG A 13 -6.446 -8.240 9.462 1.00 63.24 H new ATOM 0 HD2 ARG A 13 -4.672 -6.910 10.654 1.00 43.55 H new ATOM 0 HD3 ARG A 13 -4.063 -6.376 9.100 1.00 43.55 H new ATOM 0 HE ARG A 13 -6.774 -5.721 9.033 1.00 73.41 H new ATOM 0 HH11 ARG A 13 -4.064 -4.982 11.132 1.00 34.51 H new ATOM 0 HH12 ARG A 13 -4.733 -3.411 11.586 1.00 34.51 H new ATOM 0 HH21 ARG A 13 -7.569 -3.759 9.631 1.00 21.45 H new ATOM 0 HH22 ARG A 13 -6.670 -2.736 10.756 1.00 21.45 H new ATOM 209 N LEU A 14 -5.736 -10.408 6.224 1.00 34.30 N ATOM 210 CA LEU A 14 -6.626 -10.297 5.070 1.00 73.30 C ATOM 211 C LEU A 14 -7.474 -11.571 4.880 1.00 31.30 C ATOM 212 O LEU A 14 -8.707 -11.514 4.861 1.00 53.43 O ATOM 213 CB LEU A 14 -5.790 -10.029 3.809 1.00 52.10 C ATOM 214 CG LEU A 14 -6.560 -10.099 2.484 1.00 53.14 C ATOM 215 CD1 LEU A 14 -7.658 -9.036 2.424 1.00 73.21 C ATOM 216 CD2 LEU A 14 -5.610 -9.970 1.292 1.00 40.44 C ATOM 0 H LEU A 14 -4.764 -10.600 5.983 1.00 34.30 H new ATOM 0 HA LEU A 14 -7.313 -9.469 5.246 1.00 73.30 H new ATOM 0 HB2 LEU A 14 -5.338 -9.041 3.896 1.00 52.10 H new ATOM 0 HB3 LEU A 14 -4.974 -10.751 3.774 1.00 52.10 H new ATOM 0 HG LEU A 14 -7.040 -11.076 2.430 1.00 53.14 H new ATOM 0 HD11 LEU A 14 -8.186 -9.111 1.473 1.00 73.21 H new ATOM 0 HD12 LEU A 14 -8.361 -9.192 3.242 1.00 73.21 H new ATOM 0 HD13 LEU A 14 -7.211 -8.046 2.514 1.00 73.21 H new ATOM 0 HD21 LEU A 14 -6.180 -10.023 0.365 1.00 40.44 H new ATOM 0 HD22 LEU A 14 -5.089 -9.014 1.344 1.00 40.44 H new ATOM 0 HD23 LEU A 14 -4.883 -10.781 1.317 1.00 40.44 H new ATOM 228 N GLU A 15 -6.804 -12.716 4.747 1.00 13.00 N ATOM 229 CA GLU A 15 -7.480 -14.000 4.500 1.00 32.12 C ATOM 230 C GLU A 15 -8.211 -14.506 5.752 1.00 10.25 C ATOM 231 O GLU A 15 -9.395 -14.855 5.702 1.00 21.13 O ATOM 232 CB GLU A 15 -6.461 -15.053 4.035 1.00 64.10 C ATOM 233 CG GLU A 15 -5.685 -14.648 2.786 1.00 2.45 C ATOM 234 CD GLU A 15 -4.637 -15.677 2.388 1.00 70.34 C ATOM 235 OE1 GLU A 15 -3.596 -15.763 3.069 1.00 30.24 O ATOM 236 OE2 GLU A 15 -4.858 -16.411 1.400 1.00 71.43 O ATOM 0 H GLU A 15 -5.788 -12.785 4.806 1.00 13.00 H new ATOM 0 HA GLU A 15 -8.222 -13.837 3.718 1.00 32.12 H new ATOM 0 HB2 GLU A 15 -5.756 -15.245 4.844 1.00 64.10 H new ATOM 0 HB3 GLU A 15 -6.984 -15.989 3.839 1.00 64.10 H new ATOM 0 HG2 GLU A 15 -6.382 -14.507 1.960 1.00 2.45 H new ATOM 0 HG3 GLU A 15 -5.198 -13.688 2.960 1.00 2.45 H new ATOM 243 N TRP A 16 -7.503 -14.540 6.875 1.00 14.14 N ATOM 244 CA TRP A 16 -8.061 -15.036 8.139 1.00 53.05 C ATOM 245 C TRP A 16 -8.877 -13.950 8.856 1.00 41.33 C ATOM 246 O TRP A 16 -10.038 -14.163 9.211 1.00 33.33 O ATOM 247 CB TRP A 16 -6.934 -15.514 9.067 1.00 41.15 C ATOM 248 CG TRP A 16 -6.083 -16.611 8.497 1.00 23.23 C ATOM 249 CD1 TRP A 16 -5.206 -16.511 7.459 1.00 15.33 C ATOM 250 CD2 TRP A 16 -6.011 -17.964 8.954 1.00 31.14 C ATOM 251 NE1 TRP A 16 -4.604 -17.723 7.232 1.00 20.11 N ATOM 252 CE2 TRP A 16 -5.079 -18.631 8.138 1.00 62.41 C ATOM 253 CE3 TRP A 16 -6.646 -18.674 9.971 1.00 13.23 C ATOM 254 CZ2 TRP A 16 -4.770 -19.977 8.308 1.00 72.34 C ATOM 255 CZ3 TRP A 16 -6.339 -20.009 10.144 1.00 61.53 C ATOM 256 CH2 TRP A 16 -5.406 -20.648 9.318 1.00 41.35 C ATOM 0 H TRP A 16 -6.534 -14.229 6.941 1.00 14.14 H new ATOM 0 HA TRP A 16 -8.722 -15.869 7.901 1.00 53.05 H new ATOM 0 HB2 TRP A 16 -6.295 -14.665 9.310 1.00 41.15 H new ATOM 0 HB3 TRP A 16 -7.373 -15.861 10.003 1.00 41.15 H new ATOM 0 HD1 TRP A 16 -5.013 -15.609 6.897 1.00 15.33 H new ATOM 0 HE1 TRP A 16 -3.914 -17.916 6.506 1.00 20.11 H new ATOM 0 HE3 TRP A 16 -7.366 -18.188 10.613 1.00 13.23 H new ATOM 0 HZ2 TRP A 16 -4.056 -20.473 7.668 1.00 72.34 H new ATOM 0 HZ3 TRP A 16 -6.826 -20.569 10.929 1.00 61.53 H new ATOM 0 HH2 TRP A 16 -5.183 -21.692 9.481 1.00 41.35 H new ATOM 267 N GLY A 17 -8.261 -12.785 9.055 1.00 1.13 N ATOM 268 CA GLY A 17 -8.872 -11.725 9.853 1.00 34.20 C ATOM 269 C GLY A 17 -10.043 -11.006 9.179 1.00 31.45 C ATOM 270 O GLY A 17 -11.121 -11.579 9.002 1.00 75.04 O ATOM 0 H GLY A 17 -7.343 -12.553 8.676 1.00 1.13 H new ATOM 0 HA2 GLY A 17 -9.220 -12.152 10.794 1.00 34.20 H new ATOM 0 HA3 GLY A 17 -8.107 -10.989 10.101 1.00 34.20 H new ATOM 274 N GLU A 18 -9.822 -9.747 8.800 1.00 74.32 N ATOM 275 CA GLU A 18 -10.896 -8.874 8.305 1.00 25.43 C ATOM 276 C GLU A 18 -10.379 -7.869 7.254 1.00 2.00 C ATOM 277 O GLU A 18 -9.443 -7.111 7.517 1.00 43.45 O ATOM 278 CB GLU A 18 -11.516 -8.119 9.493 1.00 54.24 C ATOM 279 CG GLU A 18 -12.568 -7.082 9.106 1.00 71.02 C ATOM 280 CD GLU A 18 -13.149 -6.359 10.311 1.00 71.15 C ATOM 281 OE1 GLU A 18 -12.430 -5.539 10.922 1.00 61.31 O ATOM 282 OE2 GLU A 18 -14.324 -6.603 10.653 1.00 32.32 O ATOM 0 H GLU A 18 -8.904 -9.303 8.825 1.00 74.32 H new ATOM 0 HA GLU A 18 -11.648 -9.496 7.819 1.00 25.43 H new ATOM 0 HB2 GLU A 18 -11.970 -8.843 10.170 1.00 54.24 H new ATOM 0 HB3 GLU A 18 -10.720 -7.621 10.046 1.00 54.24 H new ATOM 0 HG2 GLU A 18 -12.122 -6.353 8.430 1.00 71.02 H new ATOM 0 HG3 GLU A 18 -13.373 -7.573 8.559 1.00 71.02 H new ATOM 289 N PRO A 19 -11.004 -7.821 6.057 1.00 31.03 N ATOM 290 CA PRO A 19 -10.578 -6.927 4.961 1.00 31.52 C ATOM 291 C PRO A 19 -11.109 -5.481 5.093 1.00 74.52 C ATOM 292 O PRO A 19 -11.474 -4.847 4.099 1.00 0.02 O ATOM 293 CB PRO A 19 -11.180 -7.618 3.734 1.00 62.33 C ATOM 294 CG PRO A 19 -12.446 -8.228 4.240 1.00 42.32 C ATOM 295 CD PRO A 19 -12.175 -8.641 5.668 1.00 15.14 C ATOM 0 HA PRO A 19 -9.496 -6.799 4.933 1.00 31.52 H new ATOM 0 HB2 PRO A 19 -11.374 -6.906 2.932 1.00 62.33 H new ATOM 0 HB3 PRO A 19 -10.506 -8.375 3.333 1.00 62.33 H new ATOM 0 HG2 PRO A 19 -13.268 -7.514 4.191 1.00 42.32 H new ATOM 0 HG3 PRO A 19 -12.733 -9.087 3.634 1.00 42.32 H new ATOM 0 HD2 PRO A 19 -13.033 -8.444 6.311 1.00 15.14 H new ATOM 0 HD3 PRO A 19 -11.959 -9.707 5.742 1.00 15.14 H new ATOM 303 N ALA A 20 -11.105 -4.947 6.318 1.00 72.23 N ATOM 304 CA ALA A 20 -11.596 -3.581 6.581 1.00 64.51 C ATOM 305 C ALA A 20 -10.517 -2.512 6.313 1.00 41.23 C ATOM 306 O ALA A 20 -10.688 -1.339 6.654 1.00 23.53 O ATOM 307 CB ALA A 20 -12.096 -3.476 8.021 1.00 13.53 C ATOM 0 H ALA A 20 -10.768 -5.436 7.147 1.00 72.23 H new ATOM 0 HA ALA A 20 -12.419 -3.389 5.892 1.00 64.51 H new ATOM 0 HB1 ALA A 20 -12.457 -2.465 8.208 1.00 13.53 H new ATOM 0 HB2 ALA A 20 -12.908 -4.186 8.177 1.00 13.53 H new ATOM 0 HB3 ALA A 20 -11.280 -3.703 8.707 1.00 13.53 H new ATOM 313 N PHE A 21 -9.413 -2.916 5.687 1.00 72.02 N ATOM 314 CA PHE A 21 -8.296 -2.006 5.399 1.00 4.13 C ATOM 315 C PHE A 21 -8.168 -1.721 3.892 1.00 73.32 C ATOM 316 O PHE A 21 -8.644 -2.490 3.057 1.00 2.41 O ATOM 317 CB PHE A 21 -6.983 -2.594 5.945 1.00 2.34 C ATOM 318 CG PHE A 21 -6.718 -4.011 5.500 1.00 31.44 C ATOM 319 CD1 PHE A 21 -6.173 -4.277 4.253 1.00 64.43 C ATOM 320 CD2 PHE A 21 -7.024 -5.078 6.329 1.00 32.21 C ATOM 321 CE1 PHE A 21 -5.939 -5.575 3.846 1.00 51.21 C ATOM 322 CE2 PHE A 21 -6.793 -6.377 5.926 1.00 23.35 C ATOM 323 CZ PHE A 21 -6.251 -6.624 4.684 1.00 13.13 C ATOM 0 H PHE A 21 -9.264 -3.873 5.366 1.00 72.02 H new ATOM 0 HA PHE A 21 -8.501 -1.058 5.896 1.00 4.13 H new ATOM 0 HB2 PHE A 21 -6.153 -1.962 5.627 1.00 2.34 H new ATOM 0 HB3 PHE A 21 -7.008 -2.564 7.034 1.00 2.34 H new ATOM 0 HD1 PHE A 21 -5.929 -3.459 3.592 1.00 64.43 H new ATOM 0 HD2 PHE A 21 -7.449 -4.890 7.304 1.00 32.21 H new ATOM 0 HE1 PHE A 21 -5.512 -5.768 2.873 1.00 51.21 H new ATOM 0 HE2 PHE A 21 -7.037 -7.199 6.583 1.00 23.35 H new ATOM 0 HZ PHE A 21 -6.070 -7.640 4.367 1.00 13.13 H new ATOM 333 N THR A 22 -7.518 -0.611 3.554 1.00 12.33 N ATOM 334 CA THR A 22 -7.324 -0.211 2.152 1.00 40.41 C ATOM 335 C THR A 22 -5.836 -0.175 1.785 1.00 73.44 C ATOM 336 O THR A 22 -5.042 0.481 2.454 1.00 41.12 O ATOM 337 CB THR A 22 -7.947 1.182 1.875 1.00 42.54 C ATOM 338 OG1 THR A 22 -9.351 1.163 2.180 1.00 21.13 O ATOM 339 CG2 THR A 22 -7.749 1.601 0.420 1.00 63.03 C ATOM 0 H THR A 22 -7.112 0.035 4.232 1.00 12.33 H new ATOM 0 HA THR A 22 -7.826 -0.958 1.537 1.00 40.41 H new ATOM 0 HB THR A 22 -7.441 1.906 2.514 1.00 42.54 H new ATOM 0 HG1 THR A 22 -9.736 2.047 2.004 1.00 21.13 H new ATOM 0 HG21 THR A 22 -8.197 2.582 0.260 1.00 63.03 H new ATOM 0 HG22 THR A 22 -6.683 1.648 0.197 1.00 63.03 H new ATOM 0 HG23 THR A 22 -8.225 0.873 -0.236 1.00 63.03 H new ATOM 347 N ILE A 23 -5.460 -0.885 0.720 1.00 54.35 N ATOM 348 CA ILE A 23 -4.062 -0.915 0.262 1.00 51.02 C ATOM 349 C ILE A 23 -3.813 0.158 -0.811 1.00 23.11 C ATOM 350 O ILE A 23 -4.601 0.300 -1.744 1.00 14.13 O ATOM 351 CB ILE A 23 -3.663 -2.303 -0.325 1.00 61.42 C ATOM 352 CG1 ILE A 23 -3.936 -3.445 0.678 1.00 72.43 C ATOM 353 CG2 ILE A 23 -2.192 -2.302 -0.747 1.00 73.30 C ATOM 354 CD1 ILE A 23 -5.398 -3.838 0.792 1.00 63.31 C ATOM 0 H ILE A 23 -6.099 -1.447 0.157 1.00 54.35 H new ATOM 0 HA ILE A 23 -3.449 -0.717 1.141 1.00 51.02 H new ATOM 0 HB ILE A 23 -4.282 -2.481 -1.204 1.00 61.42 H new ATOM 0 HG12 ILE A 23 -3.358 -4.320 0.381 1.00 72.43 H new ATOM 0 HG13 ILE A 23 -3.575 -3.144 1.661 1.00 72.43 H new ATOM 0 HG21 ILE A 23 -1.930 -3.278 -1.155 1.00 73.30 H new ATOM 0 HG22 ILE A 23 -2.032 -1.537 -1.507 1.00 73.30 H new ATOM 0 HG23 ILE A 23 -1.565 -2.090 0.119 1.00 73.30 H new ATOM 0 HD11 ILE A 23 -5.502 -4.646 1.516 1.00 63.31 H new ATOM 0 HD12 ILE A 23 -5.981 -2.978 1.121 1.00 63.31 H new ATOM 0 HD13 ILE A 23 -5.762 -4.173 -0.180 1.00 63.31 H new ATOM 366 N LEU A 24 -2.717 0.908 -0.683 1.00 22.32 N ATOM 367 CA LEU A 24 -2.358 1.929 -1.683 1.00 55.13 C ATOM 368 C LEU A 24 -1.036 1.593 -2.393 1.00 41.14 C ATOM 369 O LEU A 24 -0.002 1.383 -1.752 1.00 61.34 O ATOM 370 CB LEU A 24 -2.264 3.324 -1.044 1.00 65.32 C ATOM 371 CG LEU A 24 -3.569 3.864 -0.436 1.00 40.24 C ATOM 372 CD1 LEU A 24 -3.397 5.311 0.019 1.00 44.30 C ATOM 373 CD2 LEU A 24 -4.724 3.742 -1.426 1.00 23.33 C ATOM 0 H LEU A 24 -2.063 0.833 0.096 1.00 22.32 H new ATOM 0 HA LEU A 24 -3.155 1.934 -2.427 1.00 55.13 H new ATOM 0 HB2 LEU A 24 -1.504 3.296 -0.263 1.00 65.32 H new ATOM 0 HB3 LEU A 24 -1.918 4.028 -1.800 1.00 65.32 H new ATOM 0 HG LEU A 24 -3.809 3.259 0.438 1.00 40.24 H new ATOM 0 HD11 LEU A 24 -4.333 5.672 0.446 1.00 44.30 H new ATOM 0 HD12 LEU A 24 -2.610 5.365 0.772 1.00 44.30 H new ATOM 0 HD13 LEU A 24 -3.125 5.931 -0.835 1.00 44.30 H new ATOM 0 HD21 LEU A 24 -5.635 4.131 -0.972 1.00 23.33 H new ATOM 0 HD22 LEU A 24 -4.494 4.314 -2.325 1.00 23.33 H new ATOM 0 HD23 LEU A 24 -4.868 2.694 -1.689 1.00 23.33 H new ATOM 385 N ASP A 25 -1.089 1.552 -3.723 1.00 2.21 N ATOM 386 CA ASP A 25 0.087 1.284 -4.551 1.00 41.50 C ATOM 387 C ASP A 25 0.806 2.595 -4.905 1.00 22.11 C ATOM 388 O ASP A 25 0.380 3.320 -5.807 1.00 22.21 O ATOM 389 CB ASP A 25 -0.352 0.565 -5.831 1.00 35.34 C ATOM 390 CG ASP A 25 0.791 -0.108 -6.568 1.00 5.01 C ATOM 391 OD1 ASP A 25 1.953 0.342 -6.451 1.00 2.42 O ATOM 392 OD2 ASP A 25 0.523 -1.111 -7.257 1.00 42.24 O ATOM 0 H ASP A 25 -1.945 1.703 -4.256 1.00 2.21 H new ATOM 0 HA ASP A 25 0.780 0.653 -3.995 1.00 41.50 H new ATOM 0 HB2 ASP A 25 -1.103 -0.184 -5.579 1.00 35.34 H new ATOM 0 HB3 ASP A 25 -0.830 1.284 -6.497 1.00 35.34 H new ATOM 397 N VAL A 26 1.902 2.895 -4.210 1.00 71.43 N ATOM 398 CA VAL A 26 2.578 4.185 -4.383 1.00 25.44 C ATOM 399 C VAL A 26 3.784 4.085 -5.322 1.00 12.12 C ATOM 400 O VAL A 26 4.515 5.058 -5.504 1.00 22.42 O ATOM 401 CB VAL A 26 3.014 4.777 -3.021 1.00 14.32 C ATOM 402 CG1 VAL A 26 1.787 5.060 -2.158 1.00 13.32 C ATOM 403 CG2 VAL A 26 3.988 3.840 -2.309 1.00 13.24 C ATOM 0 H VAL A 26 2.338 2.273 -3.530 1.00 71.43 H new ATOM 0 HA VAL A 26 1.852 4.856 -4.842 1.00 25.44 H new ATOM 0 HB VAL A 26 3.534 5.719 -3.197 1.00 14.32 H new ATOM 0 HG11 VAL A 26 2.103 5.476 -1.202 1.00 13.32 H new ATOM 0 HG12 VAL A 26 1.140 5.774 -2.668 1.00 13.32 H new ATOM 0 HG13 VAL A 26 1.241 4.132 -1.987 1.00 13.32 H new ATOM 0 HG21 VAL A 26 4.281 4.277 -1.354 1.00 13.24 H new ATOM 0 HG22 VAL A 26 3.506 2.878 -2.135 1.00 13.24 H new ATOM 0 HG23 VAL A 26 4.873 3.696 -2.929 1.00 13.24 H new ATOM 413 N ARG A 27 3.977 2.918 -5.933 1.00 3.31 N ATOM 414 CA ARG A 27 5.068 2.725 -6.892 1.00 65.11 C ATOM 415 C ARG A 27 4.891 3.635 -8.114 1.00 42.32 C ATOM 416 O ARG A 27 5.648 4.589 -8.314 1.00 23.30 O ATOM 417 CB ARG A 27 5.139 1.256 -7.336 1.00 12.31 C ATOM 418 CG ARG A 27 5.630 0.307 -6.251 1.00 34.53 C ATOM 419 CD ARG A 27 5.480 -1.151 -6.670 1.00 72.44 C ATOM 420 NE ARG A 27 4.082 -1.538 -6.774 1.00 34.44 N ATOM 421 CZ ARG A 27 3.670 -2.631 -7.335 1.00 53.25 C ATOM 422 NH1 ARG A 27 4.510 -3.468 -7.846 1.00 71.41 N ATOM 423 NH2 ARG A 27 2.416 -2.884 -7.388 1.00 3.54 N ATOM 0 H ARG A 27 3.396 2.093 -5.783 1.00 3.31 H new ATOM 0 HA ARG A 27 6.002 2.990 -6.397 1.00 65.11 H new ATOM 0 HB2 ARG A 27 4.149 0.937 -7.663 1.00 12.31 H new ATOM 0 HB3 ARG A 27 5.800 1.179 -8.199 1.00 12.31 H new ATOM 0 HG2 ARG A 27 6.677 0.517 -6.030 1.00 34.53 H new ATOM 0 HG3 ARG A 27 5.069 0.482 -5.333 1.00 34.53 H new ATOM 0 HD2 ARG A 27 5.973 -1.307 -7.629 1.00 72.44 H new ATOM 0 HD3 ARG A 27 5.982 -1.792 -5.945 1.00 72.44 H new ATOM 0 HE ARG A 27 3.382 -0.909 -6.381 1.00 34.44 H new ATOM 0 HH11 ARG A 27 5.510 -3.272 -7.811 1.00 71.41 H new ATOM 0 HH12 ARG A 27 4.173 -4.325 -8.285 1.00 71.41 H new ATOM 0 HH21 ARG A 27 1.746 -2.226 -6.990 1.00 3.54 H new ATOM 0 HH22 ARG A 27 2.087 -3.743 -7.829 1.00 3.54 H new ATOM 437 N ASP A 28 3.873 3.333 -8.909 1.00 5.03 N ATOM 438 CA ASP A 28 3.558 4.092 -10.120 1.00 72.43 C ATOM 439 C ASP A 28 2.284 3.521 -10.755 1.00 10.23 C ATOM 440 O ASP A 28 1.933 2.369 -10.510 1.00 62.30 O ATOM 441 CB ASP A 28 4.726 4.024 -11.119 1.00 71.24 C ATOM 442 CG ASP A 28 4.638 5.082 -12.209 1.00 32.24 C ATOM 443 OD1 ASP A 28 3.791 4.944 -13.115 1.00 23.43 O ATOM 444 OD2 ASP A 28 5.422 6.052 -12.168 1.00 1.13 O ATOM 0 H ASP A 28 3.239 2.553 -8.735 1.00 5.03 H new ATOM 0 HA ASP A 28 3.397 5.137 -9.856 1.00 72.43 H new ATOM 0 HB2 ASP A 28 5.666 4.143 -10.580 1.00 71.24 H new ATOM 0 HB3 ASP A 28 4.746 3.036 -11.580 1.00 71.24 H new ATOM 449 N ARG A 29 1.599 4.308 -11.575 1.00 33.20 N ATOM 450 CA ARG A 29 0.385 3.832 -12.245 1.00 12.20 C ATOM 451 C ARG A 29 0.727 2.723 -13.257 1.00 51.10 C ATOM 452 O ARG A 29 -0.065 1.802 -13.494 1.00 51.03 O ATOM 453 CB ARG A 29 -0.326 5.005 -12.938 1.00 75.02 C ATOM 454 CG ARG A 29 -1.638 4.631 -13.623 1.00 12.14 C ATOM 455 CD ARG A 29 -2.658 4.054 -12.645 1.00 64.31 C ATOM 456 NE ARG A 29 -3.933 3.757 -13.295 1.00 45.05 N ATOM 457 CZ ARG A 29 -4.198 2.643 -13.925 1.00 25.30 C ATOM 458 NH1 ARG A 29 -3.299 1.721 -14.046 1.00 52.25 N ATOM 459 NH2 ARG A 29 -5.365 2.455 -14.447 1.00 21.52 N ATOM 0 H ARG A 29 1.856 5.270 -11.794 1.00 33.20 H new ATOM 0 HA ARG A 29 -0.288 3.411 -11.499 1.00 12.20 H new ATOM 0 HB2 ARG A 29 -0.524 5.781 -12.199 1.00 75.02 H new ATOM 0 HB3 ARG A 29 0.347 5.435 -13.680 1.00 75.02 H new ATOM 0 HG2 ARG A 29 -2.059 5.514 -14.104 1.00 12.14 H new ATOM 0 HG3 ARG A 29 -1.440 3.903 -14.410 1.00 12.14 H new ATOM 0 HD2 ARG A 29 -2.258 3.144 -12.199 1.00 64.31 H new ATOM 0 HD3 ARG A 29 -2.822 4.762 -11.832 1.00 64.31 H new ATOM 0 HE ARG A 29 -4.665 4.466 -13.254 1.00 45.05 H new ATOM 0 HH11 ARG A 29 -2.370 1.859 -13.647 1.00 52.25 H new ATOM 0 HH12 ARG A 29 -3.519 0.856 -14.540 1.00 52.25 H new ATOM 0 HH21 ARG A 29 -6.081 3.177 -14.368 1.00 21.52 H new ATOM 0 HH22 ARG A 29 -5.570 1.585 -14.938 1.00 21.52 H new ATOM 473 N SER A 30 1.926 2.813 -13.828 1.00 51.51 N ATOM 474 CA SER A 30 2.435 1.808 -14.761 1.00 61.34 C ATOM 475 C SER A 30 2.826 0.535 -14.010 1.00 71.15 C ATOM 476 O SER A 30 2.351 -0.550 -14.330 1.00 13.24 O ATOM 477 CB SER A 30 3.649 2.354 -15.521 1.00 63.44 C ATOM 478 OG SER A 30 4.707 2.679 -14.629 1.00 34.13 O ATOM 0 H SER A 30 2.572 3.584 -13.658 1.00 51.51 H new ATOM 0 HA SER A 30 1.646 1.571 -15.475 1.00 61.34 H new ATOM 0 HB2 SER A 30 3.993 1.614 -16.244 1.00 63.44 H new ATOM 0 HB3 SER A 30 3.360 3.240 -16.086 1.00 63.44 H new ATOM 0 HG SER A 30 4.476 3.489 -14.129 1.00 34.13 H new ATOM 484 N THR A 31 3.690 0.681 -13.001 1.00 42.32 N ATOM 485 CA THR A 31 4.097 -0.448 -12.147 1.00 13.23 C ATOM 486 C THR A 31 2.875 -1.140 -11.527 1.00 54.53 C ATOM 487 O THR A 31 2.851 -2.360 -11.361 1.00 45.54 O ATOM 488 CB THR A 31 5.054 0.008 -11.014 1.00 53.12 C ATOM 489 OG1 THR A 31 6.123 0.797 -11.559 1.00 15.21 O ATOM 490 CG2 THR A 31 5.644 -1.191 -10.271 1.00 54.54 C ATOM 0 H THR A 31 4.124 1.570 -12.752 1.00 42.32 H new ATOM 0 HA THR A 31 4.624 -1.154 -12.789 1.00 13.23 H new ATOM 0 HB THR A 31 4.474 0.605 -10.310 1.00 53.12 H new ATOM 0 HG1 THR A 31 6.721 1.082 -10.836 1.00 15.21 H new ATOM 0 HG21 THR A 31 6.310 -0.839 -9.483 1.00 54.54 H new ATOM 0 HG22 THR A 31 4.838 -1.778 -9.830 1.00 54.54 H new ATOM 0 HG23 THR A 31 6.205 -1.812 -10.970 1.00 54.54 H new ATOM 498 N TYR A 32 1.864 -0.342 -11.186 1.00 40.15 N ATOM 499 CA TYR A 32 0.563 -0.860 -10.757 1.00 61.40 C ATOM 500 C TYR A 32 -0.014 -1.810 -11.819 1.00 72.13 C ATOM 501 O TYR A 32 -0.522 -2.887 -11.499 1.00 22.33 O ATOM 502 CB TYR A 32 -0.396 0.317 -10.503 1.00 33.34 C ATOM 503 CG TYR A 32 -1.846 -0.078 -10.278 1.00 44.33 C ATOM 504 CD1 TYR A 32 -2.305 -0.460 -9.021 1.00 52.22 C ATOM 505 CD2 TYR A 32 -2.760 -0.058 -11.328 1.00 51.35 C ATOM 506 CE1 TYR A 32 -3.626 -0.810 -8.820 1.00 13.03 C ATOM 507 CE2 TYR A 32 -4.080 -0.408 -11.134 1.00 12.24 C ATOM 508 CZ TYR A 32 -4.508 -0.783 -9.879 1.00 3.24 C ATOM 509 OH TYR A 32 -5.824 -1.129 -9.685 1.00 14.23 O ATOM 0 H TYR A 32 1.921 0.676 -11.199 1.00 40.15 H new ATOM 0 HA TYR A 32 0.687 -1.425 -9.833 1.00 61.40 H new ATOM 0 HB2 TYR A 32 -0.046 0.871 -9.632 1.00 33.34 H new ATOM 0 HB3 TYR A 32 -0.347 0.997 -11.354 1.00 33.34 H new ATOM 0 HD1 TYR A 32 -1.617 -0.483 -8.189 1.00 52.22 H new ATOM 0 HD2 TYR A 32 -2.429 0.237 -12.313 1.00 51.35 H new ATOM 0 HE1 TYR A 32 -3.966 -1.103 -7.838 1.00 13.03 H new ATOM 0 HE2 TYR A 32 -4.774 -0.388 -11.961 1.00 12.24 H new ATOM 0 HH TYR A 32 -6.310 -1.055 -10.533 1.00 14.23 H new ATOM 519 N ASN A 33 0.064 -1.397 -13.085 1.00 71.01 N ATOM 520 CA ASN A 33 -0.352 -2.252 -14.205 1.00 13.51 C ATOM 521 C ASN A 33 0.531 -3.506 -14.323 1.00 32.52 C ATOM 522 O ASN A 33 0.021 -4.606 -14.545 1.00 12.12 O ATOM 523 CB ASN A 33 -0.322 -1.464 -15.522 1.00 1.04 C ATOM 524 CG ASN A 33 -1.349 -0.348 -15.545 1.00 24.00 C ATOM 525 OD1 ASN A 33 -2.420 -0.466 -14.961 1.00 70.21 O ATOM 526 ND2 ASN A 33 -1.035 0.740 -16.219 1.00 33.02 N ATOM 0 H ASN A 33 0.410 -0.479 -13.363 1.00 71.01 H new ATOM 0 HA ASN A 33 -1.373 -2.578 -14.004 1.00 13.51 H new ATOM 0 HB2 ASN A 33 0.673 -1.043 -15.669 1.00 1.04 H new ATOM 0 HB3 ASN A 33 -0.507 -2.143 -16.354 1.00 1.04 H new ATOM 0 HD21 ASN A 33 -1.693 1.518 -16.266 1.00 33.02 H new ATOM 0 HD22 ASN A 33 -0.134 0.804 -16.693 1.00 33.02 H new ATOM 533 N ASP A 34 1.853 -3.346 -14.178 1.00 20.41 N ATOM 534 CA ASP A 34 2.769 -4.494 -14.247 1.00 60.43 C ATOM 535 C ASP A 34 2.388 -5.578 -13.215 1.00 3.22 C ATOM 536 O ASP A 34 2.269 -6.757 -13.560 1.00 23.51 O ATOM 537 CB ASP A 34 4.224 -4.046 -14.026 1.00 32.12 C ATOM 538 CG ASP A 34 4.761 -3.189 -15.164 1.00 10.14 C ATOM 539 OD1 ASP A 34 4.605 -1.954 -15.116 1.00 64.22 O ATOM 540 OD2 ASP A 34 5.347 -3.744 -16.115 1.00 11.13 O ATOM 0 H ASP A 34 2.308 -2.448 -14.015 1.00 20.41 H new ATOM 0 HA ASP A 34 2.681 -4.924 -15.245 1.00 60.43 H new ATOM 0 HB2 ASP A 34 4.288 -3.484 -13.094 1.00 32.12 H new ATOM 0 HB3 ASP A 34 4.856 -4.926 -13.912 1.00 32.12 H new ATOM 545 N GLY A 35 2.154 -5.172 -11.966 1.00 24.32 N ATOM 546 CA GLY A 35 1.689 -6.115 -10.950 1.00 64.30 C ATOM 547 C GLY A 35 1.391 -5.449 -9.615 1.00 50.40 C ATOM 548 O GLY A 35 2.235 -4.744 -9.077 1.00 33.41 O ATOM 0 H GLY A 35 2.276 -4.214 -11.638 1.00 24.32 H new ATOM 0 HA2 GLY A 35 0.789 -6.614 -11.310 1.00 64.30 H new ATOM 0 HA3 GLY A 35 2.445 -6.886 -10.805 1.00 64.30 H new ATOM 552 N HIS A 36 0.197 -5.691 -9.067 1.00 53.24 N ATOM 553 CA HIS A 36 -0.234 -5.051 -7.816 1.00 25.12 C ATOM 554 C HIS A 36 -0.953 -6.046 -6.892 1.00 55.35 C ATOM 555 O HIS A 36 -1.484 -7.058 -7.349 1.00 61.10 O ATOM 556 CB HIS A 36 -1.157 -3.862 -8.123 1.00 14.03 C ATOM 557 CG HIS A 36 -2.394 -4.231 -8.892 1.00 3.11 C ATOM 558 ND1 HIS A 36 -2.429 -4.324 -10.268 1.00 24.40 N ATOM 559 CD2 HIS A 36 -3.650 -4.522 -8.471 1.00 55.55 C ATOM 560 CE1 HIS A 36 -3.643 -4.657 -10.658 1.00 44.20 C ATOM 561 NE2 HIS A 36 -4.404 -4.784 -9.589 1.00 2.14 N ATOM 0 H HIS A 36 -0.492 -6.327 -9.469 1.00 53.24 H new ATOM 0 HA HIS A 36 0.658 -4.696 -7.299 1.00 25.12 H new ATOM 0 HB2 HIS A 36 -1.452 -3.392 -7.185 1.00 14.03 H new ATOM 0 HB3 HIS A 36 -0.598 -3.118 -8.690 1.00 14.03 H new ATOM 0 HD1 HIS A 36 -1.636 -4.160 -10.889 1.00 24.40 H new ATOM 0 HD2 HIS A 36 -3.993 -4.544 -7.447 1.00 55.55 H new ATOM 0 HE1 HIS A 36 -3.961 -4.801 -11.680 1.00 44.20 H new ATOM 570 N ILE A 37 -0.980 -5.747 -5.594 1.00 33.13 N ATOM 571 CA ILE A 37 -1.679 -6.592 -4.618 1.00 70.34 C ATOM 572 C ILE A 37 -3.182 -6.699 -4.946 1.00 72.02 C ATOM 573 O ILE A 37 -3.805 -5.721 -5.369 1.00 51.32 O ATOM 574 CB ILE A 37 -1.494 -6.047 -3.174 1.00 4.43 C ATOM 575 CG1 ILE A 37 -0.012 -6.123 -2.761 1.00 5.55 C ATOM 576 CG2 ILE A 37 -2.371 -6.810 -2.180 1.00 23.02 C ATOM 577 CD1 ILE A 37 0.274 -5.588 -1.370 1.00 21.23 C ATOM 0 H ILE A 37 -0.527 -4.927 -5.191 1.00 33.13 H new ATOM 0 HA ILE A 37 -1.238 -7.587 -4.678 1.00 70.34 H new ATOM 0 HB ILE A 37 -1.807 -5.003 -3.161 1.00 4.43 H new ATOM 0 HG12 ILE A 37 0.315 -7.161 -2.813 1.00 5.55 H new ATOM 0 HG13 ILE A 37 0.584 -5.564 -3.483 1.00 5.55 H new ATOM 0 HG21 ILE A 37 -2.221 -6.407 -1.178 1.00 23.02 H new ATOM 0 HG22 ILE A 37 -3.419 -6.702 -2.461 1.00 23.02 H new ATOM 0 HG23 ILE A 37 -2.100 -7.866 -2.191 1.00 23.02 H new ATOM 0 HD11 ILE A 37 1.339 -5.678 -1.157 1.00 21.23 H new ATOM 0 HD12 ILE A 37 -0.020 -4.540 -1.316 1.00 21.23 H new ATOM 0 HD13 ILE A 37 -0.292 -6.162 -0.636 1.00 21.23 H new ATOM 589 N MET A 38 -3.750 -7.893 -4.762 1.00 22.33 N ATOM 590 CA MET A 38 -5.173 -8.129 -5.036 1.00 75.02 C ATOM 591 C MET A 38 -6.075 -7.269 -4.134 1.00 24.22 C ATOM 592 O MET A 38 -6.288 -7.580 -2.960 1.00 51.11 O ATOM 593 CB MET A 38 -5.507 -9.618 -4.865 1.00 21.22 C ATOM 594 CG MET A 38 -6.972 -9.952 -5.112 1.00 30.34 C ATOM 595 SD MET A 38 -7.314 -11.724 -5.059 1.00 33.20 S ATOM 596 CE MET A 38 -6.360 -12.301 -6.463 1.00 33.44 C ATOM 0 H MET A 38 -3.247 -8.714 -4.424 1.00 22.33 H new ATOM 0 HA MET A 38 -5.366 -7.837 -6.068 1.00 75.02 H new ATOM 0 HB2 MET A 38 -4.891 -10.200 -5.550 1.00 21.22 H new ATOM 0 HB3 MET A 38 -5.239 -9.927 -3.855 1.00 21.22 H new ATOM 0 HG2 MET A 38 -7.584 -9.447 -4.365 1.00 30.34 H new ATOM 0 HG3 MET A 38 -7.269 -9.560 -6.085 1.00 30.34 H new ATOM 0 HE1 MET A 38 -6.755 -13.259 -6.802 1.00 33.44 H new ATOM 0 HE2 MET A 38 -6.427 -11.574 -7.272 1.00 33.44 H new ATOM 0 HE3 MET A 38 -5.317 -12.422 -6.169 1.00 33.44 H new ATOM 606 N GLY A 39 -6.605 -6.186 -4.699 1.00 42.04 N ATOM 607 CA GLY A 39 -7.449 -5.269 -3.940 1.00 54.45 C ATOM 608 C GLY A 39 -6.759 -3.950 -3.598 1.00 43.40 C ATOM 609 O GLY A 39 -7.229 -3.203 -2.738 1.00 53.34 O ATOM 0 H GLY A 39 -6.465 -5.924 -5.675 1.00 42.04 H new ATOM 0 HA2 GLY A 39 -8.352 -5.060 -4.513 1.00 54.45 H new ATOM 0 HA3 GLY A 39 -7.763 -5.756 -3.017 1.00 54.45 H new ATOM 613 N ALA A 40 -5.642 -3.661 -4.265 1.00 4.14 N ATOM 614 CA ALA A 40 -4.908 -2.411 -4.037 1.00 31.43 C ATOM 615 C ALA A 40 -5.412 -1.268 -4.927 1.00 33.55 C ATOM 616 O ALA A 40 -5.919 -1.487 -6.028 1.00 2.44 O ATOM 617 CB ALA A 40 -3.418 -2.616 -4.258 1.00 54.42 C ATOM 0 H ALA A 40 -5.224 -4.272 -4.967 1.00 4.14 H new ATOM 0 HA ALA A 40 -5.086 -2.127 -3.000 1.00 31.43 H new ATOM 0 HB1 ALA A 40 -2.892 -1.677 -4.084 1.00 54.42 H new ATOM 0 HB2 ALA A 40 -3.048 -3.373 -3.566 1.00 54.42 H new ATOM 0 HB3 ALA A 40 -3.244 -2.945 -5.283 1.00 54.42 H new ATOM 623 N MET A 41 -5.247 -0.046 -4.440 1.00 15.53 N ATOM 624 CA MET A 41 -5.689 1.155 -5.151 1.00 61.21 C ATOM 625 C MET A 41 -4.540 1.799 -5.930 1.00 31.21 C ATOM 626 O MET A 41 -3.375 1.707 -5.534 1.00 40.44 O ATOM 627 CB MET A 41 -6.246 2.156 -4.142 1.00 51.32 C ATOM 628 CG MET A 41 -7.421 1.618 -3.341 1.00 44.04 C ATOM 629 SD MET A 41 -8.982 1.696 -4.246 1.00 3.45 S ATOM 630 CE MET A 41 -9.123 3.462 -4.534 1.00 74.11 C ATOM 0 H MET A 41 -4.804 0.145 -3.542 1.00 15.53 H new ATOM 0 HA MET A 41 -6.460 0.868 -5.866 1.00 61.21 H new ATOM 0 HB2 MET A 41 -5.452 2.448 -3.455 1.00 51.32 H new ATOM 0 HB3 MET A 41 -6.558 3.057 -4.670 1.00 51.32 H new ATOM 0 HG2 MET A 41 -7.220 0.584 -3.061 1.00 44.04 H new ATOM 0 HG3 MET A 41 -7.514 2.186 -2.416 1.00 44.04 H new ATOM 0 HE1 MET A 41 -10.158 3.711 -4.769 1.00 74.11 H new ATOM 0 HE2 MET A 41 -8.814 4.002 -3.639 1.00 74.11 H new ATOM 0 HE3 MET A 41 -8.483 3.747 -5.369 1.00 74.11 H new ATOM 640 N ALA A 42 -4.876 2.473 -7.022 1.00 50.01 N ATOM 641 CA ALA A 42 -3.869 3.110 -7.872 1.00 32.12 C ATOM 642 C ALA A 42 -3.584 4.550 -7.427 1.00 44.43 C ATOM 643 O ALA A 42 -4.071 5.511 -8.026 1.00 31.13 O ATOM 644 CB ALA A 42 -4.307 3.070 -9.333 1.00 11.03 C ATOM 0 H ALA A 42 -5.836 2.595 -7.343 1.00 50.01 H new ATOM 0 HA ALA A 42 -2.940 2.548 -7.770 1.00 32.12 H new ATOM 0 HB1 ALA A 42 -3.548 3.547 -9.953 1.00 11.03 H new ATOM 0 HB2 ALA A 42 -4.433 2.034 -9.647 1.00 11.03 H new ATOM 0 HB3 ALA A 42 -5.253 3.600 -9.444 1.00 11.03 H new ATOM 650 N MET A 43 -2.814 4.690 -6.354 1.00 50.33 N ATOM 651 CA MET A 43 -2.373 6.002 -5.864 1.00 70.43 C ATOM 652 C MET A 43 -0.860 6.166 -6.022 1.00 13.24 C ATOM 653 O MET A 43 -0.097 5.873 -5.104 1.00 25.12 O ATOM 654 CB MET A 43 -2.760 6.207 -4.391 1.00 50.33 C ATOM 655 CG MET A 43 -4.212 6.595 -4.174 1.00 1.24 C ATOM 656 SD MET A 43 -5.366 5.228 -4.330 1.00 3.22 S ATOM 657 CE MET A 43 -6.890 6.091 -3.957 1.00 1.41 C ATOM 0 H MET A 43 -2.476 3.905 -5.798 1.00 50.33 H new ATOM 0 HA MET A 43 -2.878 6.757 -6.467 1.00 70.43 H new ATOM 0 HB2 MET A 43 -2.556 5.287 -3.843 1.00 50.33 H new ATOM 0 HB3 MET A 43 -2.122 6.981 -3.964 1.00 50.33 H new ATOM 0 HG2 MET A 43 -4.316 7.033 -3.181 1.00 1.24 H new ATOM 0 HG3 MET A 43 -4.482 7.368 -4.893 1.00 1.24 H new ATOM 0 HE1 MET A 43 -7.312 5.701 -3.031 1.00 1.41 H new ATOM 0 HE2 MET A 43 -6.687 7.156 -3.843 1.00 1.41 H new ATOM 0 HE3 MET A 43 -7.601 5.942 -4.770 1.00 1.41 H new ATOM 667 N PRO A 44 -0.401 6.652 -7.188 1.00 4.05 N ATOM 668 CA PRO A 44 1.030 6.811 -7.446 1.00 2.44 C ATOM 669 C PRO A 44 1.628 7.902 -6.553 1.00 35.42 C ATOM 670 O PRO A 44 1.027 8.958 -6.371 1.00 55.53 O ATOM 671 CB PRO A 44 1.087 7.195 -8.935 1.00 41.21 C ATOM 672 CG PRO A 44 -0.243 7.810 -9.225 1.00 24.10 C ATOM 673 CD PRO A 44 -1.234 7.126 -8.312 1.00 71.44 C ATOM 0 HA PRO A 44 1.609 5.914 -7.227 1.00 2.44 H new ATOM 0 HB2 PRO A 44 1.898 7.897 -9.131 1.00 41.21 H new ATOM 0 HB3 PRO A 44 1.263 6.321 -9.562 1.00 41.21 H new ATOM 0 HG2 PRO A 44 -0.223 8.884 -9.042 1.00 24.10 H new ATOM 0 HG3 PRO A 44 -0.517 7.670 -10.271 1.00 24.10 H new ATOM 0 HD2 PRO A 44 -2.009 7.814 -7.974 1.00 71.44 H new ATOM 0 HD3 PRO A 44 -1.738 6.300 -8.814 1.00 71.44 H new ATOM 681 N ILE A 45 2.804 7.636 -5.994 1.00 2.50 N ATOM 682 CA ILE A 45 3.435 8.541 -5.024 1.00 41.21 C ATOM 683 C ILE A 45 3.497 10.001 -5.526 1.00 61.13 C ATOM 684 O ILE A 45 3.527 10.941 -4.733 1.00 62.02 O ATOM 685 CB ILE A 45 4.851 8.034 -4.659 1.00 34.52 C ATOM 686 CG1 ILE A 45 5.405 8.785 -3.440 1.00 71.21 C ATOM 687 CG2 ILE A 45 5.799 8.155 -5.855 1.00 34.54 C ATOM 688 CD1 ILE A 45 6.678 8.181 -2.893 1.00 40.12 C ATOM 0 H ILE A 45 3.347 6.796 -6.194 1.00 2.50 H new ATOM 0 HA ILE A 45 2.809 8.539 -4.132 1.00 41.21 H new ATOM 0 HB ILE A 45 4.774 6.979 -4.396 1.00 34.52 H new ATOM 0 HG12 ILE A 45 5.593 9.823 -3.716 1.00 71.21 H new ATOM 0 HG13 ILE A 45 4.649 8.796 -2.654 1.00 71.21 H new ATOM 0 HG21 ILE A 45 6.788 7.793 -5.574 1.00 34.54 H new ATOM 0 HG22 ILE A 45 5.417 7.560 -6.684 1.00 34.54 H new ATOM 0 HG23 ILE A 45 5.869 9.199 -6.160 1.00 34.54 H new ATOM 0 HD11 ILE A 45 7.015 8.760 -2.033 1.00 40.12 H new ATOM 0 HD12 ILE A 45 6.490 7.152 -2.586 1.00 40.12 H new ATOM 0 HD13 ILE A 45 7.448 8.195 -3.664 1.00 40.12 H new ATOM 700 N GLU A 46 3.500 10.176 -6.845 1.00 51.50 N ATOM 701 CA GLU A 46 3.466 11.507 -7.460 1.00 13.55 C ATOM 702 C GLU A 46 2.151 12.245 -7.144 1.00 33.12 C ATOM 703 O GLU A 46 2.148 13.444 -6.864 1.00 60.22 O ATOM 704 CB GLU A 46 3.619 11.377 -8.981 1.00 55.10 C ATOM 705 CG GLU A 46 4.814 10.536 -9.417 1.00 4.53 C ATOM 706 CD GLU A 46 6.146 11.125 -8.980 1.00 51.32 C ATOM 707 OE1 GLU A 46 6.594 12.113 -9.600 1.00 10.45 O ATOM 708 OE2 GLU A 46 6.749 10.614 -8.014 1.00 35.33 O ATOM 0 H GLU A 46 3.526 9.408 -7.516 1.00 51.50 H new ATOM 0 HA GLU A 46 4.291 12.087 -7.046 1.00 13.55 H new ATOM 0 HB2 GLU A 46 2.710 10.937 -9.391 1.00 55.10 H new ATOM 0 HB3 GLU A 46 3.713 12.374 -9.412 1.00 55.10 H new ATOM 0 HG2 GLU A 46 4.714 9.532 -9.005 1.00 4.53 H new ATOM 0 HG3 GLU A 46 4.805 10.437 -10.502 1.00 4.53 H new ATOM 715 N ASP A 47 1.042 11.506 -7.191 1.00 65.31 N ATOM 716 CA ASP A 47 -0.305 12.076 -7.025 1.00 22.12 C ATOM 717 C ASP A 47 -0.966 11.611 -5.710 1.00 40.22 C ATOM 718 O ASP A 47 -2.137 11.902 -5.457 1.00 31.21 O ATOM 719 CB ASP A 47 -1.182 11.636 -8.209 1.00 44.20 C ATOM 720 CG ASP A 47 -2.017 12.764 -8.791 1.00 53.11 C ATOM 721 OD1 ASP A 47 -2.379 13.695 -8.043 1.00 45.02 O ATOM 722 OD2 ASP A 47 -2.343 12.703 -9.996 1.00 22.52 O ATOM 0 H ASP A 47 1.047 10.498 -7.345 1.00 65.31 H new ATOM 0 HA ASP A 47 -0.212 13.161 -6.991 1.00 22.12 H new ATOM 0 HB2 ASP A 47 -0.544 11.225 -8.991 1.00 44.20 H new ATOM 0 HB3 ASP A 47 -1.844 10.834 -7.883 1.00 44.20 H new ATOM 727 N LEU A 48 -0.201 10.903 -4.883 1.00 35.32 N ATOM 728 CA LEU A 48 -0.729 10.192 -3.706 1.00 35.03 C ATOM 729 C LEU A 48 -1.697 11.034 -2.850 1.00 53.13 C ATOM 730 O LEU A 48 -2.834 10.622 -2.605 1.00 4.11 O ATOM 731 CB LEU A 48 0.438 9.710 -2.836 1.00 0.01 C ATOM 732 CG LEU A 48 0.041 8.971 -1.549 1.00 54.22 C ATOM 733 CD1 LEU A 48 -0.739 7.700 -1.865 1.00 10.25 C ATOM 734 CD2 LEU A 48 1.274 8.654 -0.716 1.00 12.34 C ATOM 0 H LEU A 48 0.807 10.802 -5.005 1.00 35.32 H new ATOM 0 HA LEU A 48 -1.308 9.351 -4.087 1.00 35.03 H new ATOM 0 HB2 LEU A 48 1.066 9.050 -3.434 1.00 0.01 H new ATOM 0 HB3 LEU A 48 1.048 10.572 -2.566 1.00 0.01 H new ATOM 0 HG LEU A 48 -0.609 9.626 -0.969 1.00 54.22 H new ATOM 0 HD11 LEU A 48 -1.007 7.197 -0.936 1.00 10.25 H new ATOM 0 HD12 LEU A 48 -1.645 7.956 -2.414 1.00 10.25 H new ATOM 0 HD13 LEU A 48 -0.123 7.036 -2.472 1.00 10.25 H new ATOM 0 HD21 LEU A 48 0.975 8.131 0.192 1.00 12.34 H new ATOM 0 HD22 LEU A 48 1.950 8.023 -1.293 1.00 12.34 H new ATOM 0 HD23 LEU A 48 1.782 9.581 -0.450 1.00 12.34 H new ATOM 746 N VAL A 49 -1.242 12.201 -2.397 1.00 22.01 N ATOM 747 CA VAL A 49 -2.034 13.047 -1.489 1.00 61.31 C ATOM 748 C VAL A 49 -3.434 13.352 -2.055 1.00 61.33 C ATOM 749 O VAL A 49 -4.448 13.103 -1.397 1.00 23.04 O ATOM 750 CB VAL A 49 -1.300 14.379 -1.185 1.00 20.23 C ATOM 751 CG1 VAL A 49 -2.142 15.278 -0.275 1.00 24.30 C ATOM 752 CG2 VAL A 49 0.072 14.108 -0.567 1.00 74.42 C ATOM 0 H VAL A 49 -0.330 12.587 -2.641 1.00 22.01 H new ATOM 0 HA VAL A 49 -2.154 12.482 -0.565 1.00 61.31 H new ATOM 0 HB VAL A 49 -1.152 14.906 -2.127 1.00 20.23 H new ATOM 0 HG11 VAL A 49 -1.602 16.205 -0.079 1.00 24.30 H new ATOM 0 HG12 VAL A 49 -3.089 15.506 -0.764 1.00 24.30 H new ATOM 0 HG13 VAL A 49 -2.335 14.764 0.667 1.00 24.30 H new ATOM 0 HG21 VAL A 49 0.572 15.055 -0.361 1.00 74.42 H new ATOM 0 HG22 VAL A 49 -0.051 13.553 0.363 1.00 74.42 H new ATOM 0 HG23 VAL A 49 0.675 13.523 -1.262 1.00 74.42 H new ATOM 762 N ASP A 50 -3.481 13.863 -3.284 1.00 13.42 N ATOM 763 CA ASP A 50 -4.749 14.222 -3.930 1.00 64.33 C ATOM 764 C ASP A 50 -5.614 12.978 -4.214 1.00 42.23 C ATOM 765 O ASP A 50 -6.819 12.975 -3.951 1.00 11.40 O ATOM 766 CB ASP A 50 -4.478 14.987 -5.228 1.00 12.32 C ATOM 767 CG ASP A 50 -5.747 15.533 -5.854 1.00 11.01 C ATOM 768 OD1 ASP A 50 -6.170 16.645 -5.479 1.00 22.20 O ATOM 769 OD2 ASP A 50 -6.335 14.851 -6.716 1.00 65.55 O ATOM 0 H ASP A 50 -2.655 14.039 -3.856 1.00 13.42 H new ATOM 0 HA ASP A 50 -5.305 14.861 -3.244 1.00 64.33 H new ATOM 0 HB2 ASP A 50 -3.793 15.810 -5.025 1.00 12.32 H new ATOM 0 HB3 ASP A 50 -3.981 14.327 -5.939 1.00 12.32 H new ATOM 774 N ARG A 51 -4.991 11.925 -4.749 1.00 40.14 N ATOM 775 CA ARG A 51 -5.693 10.664 -5.041 1.00 75.11 C ATOM 776 C ARG A 51 -6.408 10.115 -3.799 1.00 64.33 C ATOM 777 O ARG A 51 -7.597 9.791 -3.835 1.00 43.41 O ATOM 778 CB ARG A 51 -4.698 9.609 -5.542 1.00 52.32 C ATOM 779 CG ARG A 51 -4.037 9.945 -6.868 1.00 44.32 C ATOM 780 CD ARG A 51 -5.002 9.833 -8.041 1.00 1.11 C ATOM 781 NE ARG A 51 -4.486 10.547 -9.208 1.00 52.15 N ATOM 782 CZ ARG A 51 -4.489 10.097 -10.430 1.00 25.21 C ATOM 783 NH1 ARG A 51 -5.015 8.951 -10.726 1.00 24.14 N ATOM 784 NH2 ARG A 51 -3.959 10.817 -11.362 1.00 20.21 N ATOM 0 H ARG A 51 -4.000 11.917 -4.991 1.00 40.14 H new ATOM 0 HA ARG A 51 -6.437 10.877 -5.809 1.00 75.11 H new ATOM 0 HB2 ARG A 51 -3.922 9.473 -4.788 1.00 52.32 H new ATOM 0 HB3 ARG A 51 -5.218 8.656 -5.641 1.00 52.32 H new ATOM 0 HG2 ARG A 51 -3.637 10.958 -6.825 1.00 44.32 H new ATOM 0 HG3 ARG A 51 -3.192 9.275 -7.030 1.00 44.32 H new ATOM 0 HD2 ARG A 51 -5.158 8.783 -8.291 1.00 1.11 H new ATOM 0 HD3 ARG A 51 -5.973 10.241 -7.759 1.00 1.11 H new ATOM 0 HE ARG A 51 -4.091 11.474 -9.052 1.00 52.15 H new ATOM 0 HH11 ARG A 51 -5.439 8.380 -9.995 1.00 24.14 H new ATOM 0 HH12 ARG A 51 -5.005 8.619 -11.691 1.00 24.14 H new ATOM 0 HH21 ARG A 51 -3.547 11.722 -11.135 1.00 20.21 H new ATOM 0 HH22 ARG A 51 -3.952 10.480 -12.325 1.00 20.21 H new ATOM 798 N ALA A 52 -5.669 10.008 -2.703 1.00 54.24 N ATOM 799 CA ALA A 52 -6.192 9.424 -1.471 1.00 4.03 C ATOM 800 C ALA A 52 -7.182 10.358 -0.758 1.00 34.24 C ATOM 801 O ALA A 52 -8.315 9.974 -0.487 1.00 70.44 O ATOM 802 CB ALA A 52 -5.042 9.061 -0.543 1.00 72.32 C ATOM 0 H ALA A 52 -4.700 10.319 -2.640 1.00 54.24 H new ATOM 0 HA ALA A 52 -6.742 8.523 -1.741 1.00 4.03 H new ATOM 0 HB1 ALA A 52 -5.438 8.626 0.374 1.00 72.32 H new ATOM 0 HB2 ALA A 52 -4.391 8.339 -1.036 1.00 72.32 H new ATOM 0 HB3 ALA A 52 -4.472 9.958 -0.302 1.00 72.32 H new ATOM 808 N SER A 53 -6.764 11.594 -0.481 1.00 44.55 N ATOM 809 CA SER A 53 -7.581 12.525 0.322 1.00 43.33 C ATOM 810 C SER A 53 -8.951 12.803 -0.316 1.00 30.43 C ATOM 811 O SER A 53 -9.914 13.123 0.383 1.00 24.53 O ATOM 812 CB SER A 53 -6.837 13.849 0.542 1.00 25.34 C ATOM 813 OG SER A 53 -7.543 14.696 1.439 1.00 12.10 O ATOM 0 H SER A 53 -5.873 11.978 -0.795 1.00 44.55 H new ATOM 0 HA SER A 53 -7.754 12.039 1.282 1.00 43.33 H new ATOM 0 HB2 SER A 53 -5.841 13.648 0.937 1.00 25.34 H new ATOM 0 HB3 SER A 53 -6.705 14.357 -0.413 1.00 25.34 H new ATOM 0 HG SER A 53 -7.045 15.531 1.561 1.00 12.10 H new ATOM 819 N SER A 54 -9.038 12.679 -1.638 1.00 11.11 N ATOM 820 CA SER A 54 -10.293 12.943 -2.360 1.00 13.31 C ATOM 821 C SER A 54 -11.232 11.723 -2.388 1.00 71.50 C ATOM 822 O SER A 54 -12.448 11.870 -2.543 1.00 42.21 O ATOM 823 CB SER A 54 -9.993 13.388 -3.799 1.00 44.41 C ATOM 824 OG SER A 54 -11.181 13.707 -4.506 1.00 23.25 O ATOM 0 H SER A 54 -8.260 12.398 -2.235 1.00 11.11 H new ATOM 0 HA SER A 54 -10.804 13.739 -1.818 1.00 13.31 H new ATOM 0 HB2 SER A 54 -9.335 14.257 -3.782 1.00 44.41 H new ATOM 0 HB3 SER A 54 -9.460 12.594 -4.322 1.00 44.41 H new ATOM 0 HG SER A 54 -10.954 13.988 -5.417 1.00 23.25 H new ATOM 830 N SER A 55 -10.678 10.519 -2.229 1.00 65.04 N ATOM 831 CA SER A 55 -11.471 9.277 -2.363 1.00 34.03 C ATOM 832 C SER A 55 -11.372 8.363 -1.131 1.00 23.25 C ATOM 833 O SER A 55 -11.968 7.284 -1.105 1.00 41.41 O ATOM 834 CB SER A 55 -11.028 8.504 -3.614 1.00 2.00 C ATOM 835 OG SER A 55 -11.198 9.283 -4.789 1.00 2.15 O ATOM 0 H SER A 55 -9.693 10.369 -2.009 1.00 65.04 H new ATOM 0 HA SER A 55 -12.514 9.580 -2.454 1.00 34.03 H new ATOM 0 HB2 SER A 55 -9.982 8.216 -3.514 1.00 2.00 H new ATOM 0 HB3 SER A 55 -11.605 7.583 -3.699 1.00 2.00 H new ATOM 0 HG SER A 55 -10.906 8.766 -5.569 1.00 2.15 H new ATOM 841 N LEU A 56 -10.629 8.791 -0.116 1.00 55.00 N ATOM 842 CA LEU A 56 -10.434 7.988 1.100 1.00 1.30 C ATOM 843 C LEU A 56 -10.653 8.825 2.369 1.00 22.24 C ATOM 844 O LEU A 56 -10.439 10.040 2.374 1.00 65.04 O ATOM 845 CB LEU A 56 -9.018 7.388 1.121 1.00 53.25 C ATOM 846 CG LEU A 56 -8.715 6.349 0.029 1.00 52.11 C ATOM 847 CD1 LEU A 56 -7.246 5.937 0.068 1.00 64.33 C ATOM 848 CD2 LEU A 56 -9.620 5.131 0.192 1.00 43.43 C ATOM 0 H LEU A 56 -10.148 9.691 -0.105 1.00 55.00 H new ATOM 0 HA LEU A 56 -11.172 7.186 1.085 1.00 1.30 H new ATOM 0 HB2 LEU A 56 -8.298 8.201 1.032 1.00 53.25 H new ATOM 0 HB3 LEU A 56 -8.855 6.923 2.093 1.00 53.25 H new ATOM 0 HG LEU A 56 -8.914 6.801 -0.943 1.00 52.11 H new ATOM 0 HD11 LEU A 56 -7.054 5.201 -0.713 1.00 64.33 H new ATOM 0 HD12 LEU A 56 -6.618 6.813 -0.096 1.00 64.33 H new ATOM 0 HD13 LEU A 56 -7.016 5.502 1.041 1.00 64.33 H new ATOM 0 HD21 LEU A 56 -9.395 4.403 -0.588 1.00 43.43 H new ATOM 0 HD22 LEU A 56 -9.450 4.680 1.170 1.00 43.43 H new ATOM 0 HD23 LEU A 56 -10.662 5.439 0.111 1.00 43.43 H new ATOM 860 N GLU A 57 -11.072 8.165 3.447 1.00 61.24 N ATOM 861 CA GLU A 57 -11.261 8.831 4.733 1.00 32.10 C ATOM 862 C GLU A 57 -9.985 8.752 5.580 1.00 21.11 C ATOM 863 O GLU A 57 -9.239 7.776 5.515 1.00 22.01 O ATOM 864 CB GLU A 57 -12.432 8.198 5.489 1.00 12.13 C ATOM 865 CG GLU A 57 -12.697 8.829 6.847 1.00 71.31 C ATOM 866 CD GLU A 57 -12.991 10.319 6.769 1.00 70.11 C ATOM 867 OE1 GLU A 57 -14.079 10.692 6.291 1.00 11.03 O ATOM 868 OE2 GLU A 57 -12.124 11.122 7.177 1.00 10.22 O ATOM 0 H GLU A 57 -11.287 7.168 3.455 1.00 61.24 H new ATOM 0 HA GLU A 57 -11.485 9.881 4.544 1.00 32.10 H new ATOM 0 HB2 GLU A 57 -13.332 8.278 4.879 1.00 12.13 H new ATOM 0 HB3 GLU A 57 -12.233 7.135 5.625 1.00 12.13 H new ATOM 0 HG2 GLU A 57 -13.540 8.323 7.317 1.00 71.31 H new ATOM 0 HG3 GLU A 57 -11.831 8.669 7.490 1.00 71.31 H new ATOM 875 N LYS A 58 -9.757 9.774 6.392 1.00 20.44 N ATOM 876 CA LYS A 58 -8.546 9.868 7.215 1.00 1.11 C ATOM 877 C LYS A 58 -8.532 8.784 8.317 1.00 12.12 C ATOM 878 O LYS A 58 -7.470 8.406 8.833 1.00 41.21 O ATOM 879 CB LYS A 58 -8.462 11.276 7.833 1.00 61.04 C ATOM 880 CG LYS A 58 -8.622 12.405 6.808 1.00 3.13 C ATOM 881 CD LYS A 58 -7.460 12.468 5.818 1.00 65.15 C ATOM 882 CE LYS A 58 -7.785 13.322 4.589 1.00 13.34 C ATOM 883 NZ LYS A 58 -8.140 14.725 4.935 1.00 63.02 N ATOM 0 H LYS A 58 -10.398 10.560 6.503 1.00 20.44 H new ATOM 0 HA LYS A 58 -7.675 9.698 6.582 1.00 1.11 H new ATOM 0 HB2 LYS A 58 -9.235 11.376 8.595 1.00 61.04 H new ATOM 0 HB3 LYS A 58 -7.501 11.386 8.336 1.00 61.04 H new ATOM 0 HG2 LYS A 58 -9.554 12.264 6.260 1.00 3.13 H new ATOM 0 HG3 LYS A 58 -8.701 13.358 7.332 1.00 3.13 H new ATOM 0 HD2 LYS A 58 -6.582 12.876 6.318 1.00 65.15 H new ATOM 0 HD3 LYS A 58 -7.204 11.458 5.498 1.00 65.15 H new ATOM 0 HE2 LYS A 58 -6.926 13.325 3.918 1.00 13.34 H new ATOM 0 HE3 LYS A 58 -8.613 12.867 4.045 1.00 13.34 H new ATOM 0 HZ1 LYS A 58 -8.284 15.272 4.062 1.00 63.02 H new ATOM 0 HZ2 LYS A 58 -9.015 14.733 5.497 1.00 63.02 H new ATOM 0 HZ3 LYS A 58 -7.370 15.152 5.488 1.00 63.02 H new ATOM 897 N SER A 59 -9.719 8.274 8.656 1.00 53.01 N ATOM 898 CA SER A 59 -9.866 7.245 9.701 1.00 23.44 C ATOM 899 C SER A 59 -9.868 5.819 9.126 1.00 20.31 C ATOM 900 O SER A 59 -10.032 4.848 9.866 1.00 71.25 O ATOM 901 CB SER A 59 -11.153 7.478 10.506 1.00 73.40 C ATOM 902 OG SER A 59 -11.072 8.672 11.272 1.00 31.21 O ATOM 0 H SER A 59 -10.598 8.555 8.223 1.00 53.01 H new ATOM 0 HA SER A 59 -8.999 7.336 10.356 1.00 23.44 H new ATOM 0 HB2 SER A 59 -12.004 7.536 9.827 1.00 73.40 H new ATOM 0 HB3 SER A 59 -11.330 6.630 11.168 1.00 73.40 H new ATOM 0 HG SER A 59 -11.905 8.796 11.773 1.00 31.21 H new ATOM 908 N ARG A 60 -9.684 5.696 7.814 1.00 23.50 N ATOM 909 CA ARG A 60 -9.593 4.382 7.164 1.00 41.40 C ATOM 910 C ARG A 60 -8.192 3.778 7.346 1.00 23.23 C ATOM 911 O ARG A 60 -7.193 4.408 7.004 1.00 35.41 O ATOM 912 CB ARG A 60 -9.925 4.503 5.663 1.00 70.02 C ATOM 913 CG ARG A 60 -9.648 3.231 4.850 1.00 51.34 C ATOM 914 CD ARG A 60 -10.514 2.047 5.283 1.00 34.14 C ATOM 915 NE ARG A 60 -11.895 2.162 4.817 1.00 74.43 N ATOM 916 CZ ARG A 60 -12.822 1.263 5.024 1.00 42.31 C ATOM 917 NH1 ARG A 60 -12.570 0.199 5.715 1.00 63.32 N ATOM 918 NH2 ARG A 60 -14.007 1.429 4.532 1.00 60.43 N ATOM 0 H ARG A 60 -9.594 6.487 7.176 1.00 23.50 H new ATOM 0 HA ARG A 60 -10.318 3.719 7.635 1.00 41.40 H new ATOM 0 HB2 ARG A 60 -10.977 4.767 5.556 1.00 70.02 H new ATOM 0 HB3 ARG A 60 -9.346 5.324 5.240 1.00 70.02 H new ATOM 0 HG2 ARG A 60 -9.823 3.436 3.794 1.00 51.34 H new ATOM 0 HG3 ARG A 60 -8.597 2.962 4.952 1.00 51.34 H new ATOM 0 HD2 ARG A 60 -10.080 1.124 4.898 1.00 34.14 H new ATOM 0 HD3 ARG A 60 -10.506 1.974 6.371 1.00 34.14 H new ATOM 0 HE ARG A 60 -12.153 3.000 4.295 1.00 74.43 H new ATOM 0 HH11 ARG A 60 -11.639 0.053 6.106 1.00 63.32 H new ATOM 0 HH12 ARG A 60 -13.302 -0.494 5.869 1.00 63.32 H new ATOM 0 HH21 ARG A 60 -14.219 2.262 3.982 1.00 60.43 H new ATOM 0 HH22 ARG A 60 -14.729 0.727 4.694 1.00 60.43 H new ATOM 932 N ASP A 61 -8.123 2.566 7.904 1.00 71.43 N ATOM 933 CA ASP A 61 -6.844 1.859 8.047 1.00 2.21 C ATOM 934 C ASP A 61 -6.233 1.536 6.676 1.00 11.44 C ATOM 935 O ASP A 61 -6.735 0.686 5.937 1.00 34.32 O ATOM 936 CB ASP A 61 -7.030 0.581 8.873 1.00 51.20 C ATOM 937 CG ASP A 61 -7.491 0.884 10.288 1.00 10.41 C ATOM 938 OD1 ASP A 61 -6.633 1.074 11.177 1.00 51.44 O ATOM 939 OD2 ASP A 61 -8.712 0.944 10.517 1.00 62.23 O ATOM 0 H ASP A 61 -8.930 2.056 8.262 1.00 71.43 H new ATOM 0 HA ASP A 61 -6.151 2.515 8.574 1.00 2.21 H new ATOM 0 HB2 ASP A 61 -7.759 -0.065 8.384 1.00 51.20 H new ATOM 0 HB3 ASP A 61 -6.090 0.031 8.907 1.00 51.20 H new ATOM 944 N ILE A 62 -5.156 2.235 6.339 1.00 0.41 N ATOM 945 CA ILE A 62 -4.521 2.114 5.026 1.00 12.21 C ATOM 946 C ILE A 62 -3.125 1.477 5.106 1.00 22.50 C ATOM 947 O ILE A 62 -2.277 1.889 5.902 1.00 5.24 O ATOM 948 CB ILE A 62 -4.409 3.502 4.345 1.00 14.01 C ATOM 949 CG1 ILE A 62 -5.812 4.081 4.089 1.00 60.41 C ATOM 950 CG2 ILE A 62 -3.611 3.409 3.046 1.00 23.33 C ATOM 951 CD1 ILE A 62 -5.810 5.478 3.504 1.00 63.40 C ATOM 0 H ILE A 62 -4.698 2.899 6.962 1.00 0.41 H new ATOM 0 HA ILE A 62 -5.158 1.458 4.432 1.00 12.21 H new ATOM 0 HB ILE A 62 -3.874 4.175 5.015 1.00 14.01 H new ATOM 0 HG12 ILE A 62 -6.349 3.417 3.412 1.00 60.41 H new ATOM 0 HG13 ILE A 62 -6.365 4.093 5.028 1.00 60.41 H new ATOM 0 HG21 ILE A 62 -3.547 4.396 2.587 1.00 23.33 H new ATOM 0 HG22 ILE A 62 -2.607 3.043 3.261 1.00 23.33 H new ATOM 0 HG23 ILE A 62 -4.109 2.722 2.361 1.00 23.33 H new ATOM 0 HD11 ILE A 62 -6.837 5.811 3.354 1.00 63.40 H new ATOM 0 HD12 ILE A 62 -5.304 6.158 4.189 1.00 63.40 H new ATOM 0 HD13 ILE A 62 -5.288 5.471 2.547 1.00 63.40 H new ATOM 963 N TYR A 63 -2.900 0.471 4.264 1.00 45.41 N ATOM 964 CA TYR A 63 -1.587 -0.164 4.124 1.00 63.33 C ATOM 965 C TYR A 63 -0.923 0.261 2.807 1.00 21.13 C ATOM 966 O TYR A 63 -1.425 -0.028 1.720 1.00 31.22 O ATOM 967 CB TYR A 63 -1.720 -1.692 4.186 1.00 51.32 C ATOM 968 CG TYR A 63 -2.006 -2.220 5.580 1.00 13.31 C ATOM 969 CD1 TYR A 63 -3.286 -2.160 6.122 1.00 11.12 C ATOM 970 CD2 TYR A 63 -0.992 -2.775 6.354 1.00 10.04 C ATOM 971 CE1 TYR A 63 -3.543 -2.639 7.391 1.00 10.14 C ATOM 972 CE2 TYR A 63 -1.245 -3.255 7.621 1.00 10.44 C ATOM 973 CZ TYR A 63 -2.519 -3.184 8.135 1.00 22.22 C ATOM 974 OH TYR A 63 -2.771 -3.661 9.399 1.00 13.01 O ATOM 0 H TYR A 63 -3.619 0.072 3.660 1.00 45.41 H new ATOM 0 HA TYR A 63 -0.957 0.163 4.951 1.00 63.33 H new ATOM 0 HB2 TYR A 63 -2.520 -2.006 3.516 1.00 51.32 H new ATOM 0 HB3 TYR A 63 -0.799 -2.144 3.817 1.00 51.32 H new ATOM 0 HD1 TYR A 63 -4.090 -1.733 5.542 1.00 11.12 H new ATOM 0 HD2 TYR A 63 0.010 -2.831 5.955 1.00 10.04 H new ATOM 0 HE1 TYR A 63 -4.542 -2.587 7.799 1.00 10.14 H new ATOM 0 HE2 TYR A 63 -0.447 -3.685 8.208 1.00 10.44 H new ATOM 0 HH TYR A 63 -1.943 -4.013 9.787 1.00 13.01 H new ATOM 984 N VAL A 64 0.204 0.948 2.913 1.00 30.45 N ATOM 985 CA VAL A 64 0.903 1.483 1.742 1.00 34.31 C ATOM 986 C VAL A 64 2.150 0.662 1.409 1.00 2.13 C ATOM 987 O VAL A 64 2.938 0.333 2.294 1.00 63.11 O ATOM 988 CB VAL A 64 1.318 2.952 1.986 1.00 0.42 C ATOM 989 CG1 VAL A 64 2.145 3.496 0.825 1.00 71.42 C ATOM 990 CG2 VAL A 64 0.089 3.819 2.231 1.00 54.41 C ATOM 0 H VAL A 64 0.661 1.152 3.802 1.00 30.45 H new ATOM 0 HA VAL A 64 0.213 1.428 0.900 1.00 34.31 H new ATOM 0 HB VAL A 64 1.945 2.981 2.877 1.00 0.42 H new ATOM 0 HG11 VAL A 64 2.421 4.531 1.028 1.00 71.42 H new ATOM 0 HG12 VAL A 64 3.048 2.896 0.709 1.00 71.42 H new ATOM 0 HG13 VAL A 64 1.558 3.450 -0.093 1.00 71.42 H new ATOM 0 HG21 VAL A 64 0.399 4.850 2.401 1.00 54.41 H new ATOM 0 HG22 VAL A 64 -0.566 3.776 1.361 1.00 54.41 H new ATOM 0 HG23 VAL A 64 -0.446 3.452 3.107 1.00 54.41 H new ATOM 1000 N TYR A 65 2.337 0.335 0.130 1.00 71.34 N ATOM 1001 CA TYR A 65 3.531 -0.397 -0.297 1.00 0.50 C ATOM 1002 C TYR A 65 4.183 0.246 -1.534 1.00 24.11 C ATOM 1003 O TYR A 65 3.519 0.560 -2.528 1.00 15.24 O ATOM 1004 CB TYR A 65 3.204 -1.881 -0.548 1.00 51.14 C ATOM 1005 CG TYR A 65 2.380 -2.173 -1.793 1.00 21.25 C ATOM 1006 CD1 TYR A 65 1.080 -1.699 -1.936 1.00 70.41 C ATOM 1007 CD2 TYR A 65 2.906 -2.945 -2.820 1.00 13.44 C ATOM 1008 CE1 TYR A 65 0.335 -1.985 -3.067 1.00 73.05 C ATOM 1009 CE2 TYR A 65 2.169 -3.239 -3.949 1.00 75.51 C ATOM 1010 CZ TYR A 65 0.884 -2.758 -4.070 1.00 20.20 C ATOM 1011 OH TYR A 65 0.146 -3.055 -5.195 1.00 62.05 O ATOM 0 H TYR A 65 1.686 0.562 -0.621 1.00 71.34 H new ATOM 0 HA TYR A 65 4.257 -0.342 0.514 1.00 0.50 H new ATOM 0 HB2 TYR A 65 4.141 -2.434 -0.617 1.00 51.14 H new ATOM 0 HB3 TYR A 65 2.668 -2.268 0.319 1.00 51.14 H new ATOM 0 HD1 TYR A 65 0.645 -1.098 -1.151 1.00 70.41 H new ATOM 0 HD2 TYR A 65 3.914 -3.324 -2.733 1.00 13.44 H new ATOM 0 HE1 TYR A 65 -0.671 -1.605 -3.164 1.00 73.05 H new ATOM 0 HE2 TYR A 65 2.598 -3.844 -4.734 1.00 75.51 H new ATOM 0 HH TYR A 65 0.185 -2.301 -5.820 1.00 62.05 H new ATOM 1021 N GLY A 66 5.488 0.473 -1.434 1.00 41.11 N ATOM 1022 CA GLY A 66 6.271 0.993 -2.548 1.00 43.44 C ATOM 1023 C GLY A 66 7.221 -0.054 -3.114 1.00 60.14 C ATOM 1024 O GLY A 66 7.118 -1.237 -2.791 1.00 70.21 O ATOM 0 H GLY A 66 6.029 0.303 -0.586 1.00 41.11 H new ATOM 0 HA2 GLY A 66 5.599 1.336 -3.335 1.00 43.44 H new ATOM 0 HA3 GLY A 66 6.843 1.860 -2.216 1.00 43.44 H new ATOM 1028 N ALA A 67 8.138 0.374 -3.975 1.00 23.43 N ATOM 1029 CA ALA A 67 9.162 -0.528 -4.514 1.00 62.23 C ATOM 1030 C ALA A 67 10.209 -0.883 -3.445 1.00 11.34 C ATOM 1031 O ALA A 67 10.673 -2.021 -3.358 1.00 32.24 O ATOM 1032 CB ALA A 67 9.830 0.104 -5.730 1.00 51.15 C ATOM 0 H ALA A 67 8.197 1.333 -4.316 1.00 23.43 H new ATOM 0 HA ALA A 67 8.674 -1.453 -4.821 1.00 62.23 H new ATOM 0 HB1 ALA A 67 10.588 -0.574 -6.122 1.00 51.15 H new ATOM 0 HB2 ALA A 67 9.081 0.294 -6.499 1.00 51.15 H new ATOM 0 HB3 ALA A 67 10.299 1.044 -5.440 1.00 51.15 H new ATOM 1038 N GLY A 68 10.587 0.111 -2.644 1.00 20.44 N ATOM 1039 CA GLY A 68 11.523 -0.106 -1.545 1.00 63.44 C ATOM 1040 C GLY A 68 11.101 0.608 -0.264 1.00 54.52 C ATOM 1041 O GLY A 68 10.080 1.301 -0.237 1.00 4.23 O ATOM 0 H GLY A 68 10.260 1.073 -2.736 1.00 20.44 H new ATOM 0 HA2 GLY A 68 11.607 -1.175 -1.350 1.00 63.44 H new ATOM 0 HA3 GLY A 68 12.512 0.242 -1.841 1.00 63.44 H new ATOM 1045 N ASP A 69 11.889 0.441 0.796 1.00 23.44 N ATOM 1046 CA ASP A 69 11.588 1.044 2.102 1.00 21.34 C ATOM 1047 C ASP A 69 11.469 2.578 2.020 1.00 52.53 C ATOM 1048 O ASP A 69 10.551 3.171 2.593 1.00 41.40 O ATOM 1049 CB ASP A 69 12.667 0.650 3.113 1.00 72.25 C ATOM 1050 CG ASP A 69 12.771 -0.859 3.272 1.00 33.02 C ATOM 1051 OD1 ASP A 69 11.995 -1.433 4.062 1.00 63.52 O ATOM 1052 OD2 ASP A 69 13.619 -1.484 2.599 1.00 11.43 O ATOM 0 H ASP A 69 12.747 -0.110 0.780 1.00 23.44 H new ATOM 0 HA ASP A 69 10.620 0.663 2.429 1.00 21.34 H new ATOM 0 HB2 ASP A 69 13.629 1.048 2.791 1.00 72.25 H new ATOM 0 HB3 ASP A 69 12.442 1.102 4.079 1.00 72.25 H new ATOM 1057 N GLU A 70 12.390 3.208 1.286 1.00 52.13 N ATOM 1058 CA GLU A 70 12.402 4.668 1.135 1.00 10.50 C ATOM 1059 C GLU A 70 11.072 5.186 0.564 1.00 4.33 C ATOM 1060 O GLU A 70 10.421 6.050 1.163 1.00 3.14 O ATOM 1061 CB GLU A 70 13.563 5.084 0.214 1.00 11.25 C ATOM 1062 CG GLU A 70 13.668 6.587 -0.045 1.00 44.02 C ATOM 1063 CD GLU A 70 14.109 7.378 1.178 1.00 15.23 C ATOM 1064 OE1 GLU A 70 15.326 7.416 1.458 1.00 22.21 O ATOM 1065 OE2 GLU A 70 13.248 7.970 1.861 1.00 71.44 O ATOM 0 H GLU A 70 13.139 2.730 0.785 1.00 52.13 H new ATOM 0 HA GLU A 70 12.538 5.109 2.122 1.00 10.50 H new ATOM 0 HB2 GLU A 70 14.499 4.739 0.654 1.00 11.25 H new ATOM 0 HB3 GLU A 70 13.452 4.572 -0.742 1.00 11.25 H new ATOM 0 HG2 GLU A 70 14.375 6.761 -0.856 1.00 44.02 H new ATOM 0 HG3 GLU A 70 12.700 6.960 -0.381 1.00 44.02 H new ATOM 1072 N GLN A 71 10.653 4.627 -0.574 1.00 73.31 N ATOM 1073 CA GLN A 71 9.423 5.064 -1.247 1.00 23.11 C ATOM 1074 C GLN A 71 8.184 4.765 -0.403 1.00 43.41 C ATOM 1075 O GLN A 71 7.285 5.597 -0.277 1.00 71.45 O ATOM 1076 CB GLN A 71 9.286 4.382 -2.615 1.00 45.50 C ATOM 1077 CG GLN A 71 8.217 5.003 -3.502 1.00 1.33 C ATOM 1078 CD GLN A 71 8.273 4.500 -4.932 1.00 35.22 C ATOM 1079 OE1 GLN A 71 9.309 4.060 -5.413 1.00 75.42 O ATOM 1080 NE2 GLN A 71 7.170 4.591 -5.638 1.00 43.45 N ATOM 0 H GLN A 71 11.146 3.871 -1.050 1.00 73.31 H new ATOM 0 HA GLN A 71 9.495 6.143 -1.384 1.00 23.11 H new ATOM 0 HB2 GLN A 71 10.245 4.426 -3.131 1.00 45.50 H new ATOM 0 HB3 GLN A 71 9.054 3.328 -2.464 1.00 45.50 H new ATOM 0 HG2 GLN A 71 7.234 4.786 -3.084 1.00 1.33 H new ATOM 0 HG3 GLN A 71 8.333 6.087 -3.498 1.00 1.33 H new ATOM 0 HE21 GLN A 71 6.321 4.962 -5.212 1.00 43.45 H new ATOM 0 HE22 GLN A 71 7.162 4.291 -6.613 1.00 43.45 H new ATOM 1089 N THR A 72 8.148 3.569 0.169 1.00 1.52 N ATOM 1090 CA THR A 72 7.020 3.136 0.993 1.00 52.53 C ATOM 1091 C THR A 72 6.783 4.095 2.172 1.00 73.51 C ATOM 1092 O THR A 72 5.677 4.600 2.363 1.00 4.32 O ATOM 1093 CB THR A 72 7.246 1.702 1.536 1.00 5.15 C ATOM 1094 OG1 THR A 72 7.470 0.793 0.446 1.00 42.25 O ATOM 1095 CG2 THR A 72 6.055 1.217 2.356 1.00 13.03 C ATOM 0 H THR A 72 8.890 2.875 0.078 1.00 1.52 H new ATOM 0 HA THR A 72 6.138 3.143 0.353 1.00 52.53 H new ATOM 0 HB THR A 72 8.121 1.731 2.185 1.00 5.15 H new ATOM 0 HG1 THR A 72 8.347 0.971 0.047 1.00 42.25 H new ATOM 0 HG21 THR A 72 6.250 0.208 2.720 1.00 13.03 H new ATOM 0 HG22 THR A 72 5.901 1.885 3.204 1.00 13.03 H new ATOM 0 HG23 THR A 72 5.162 1.211 1.732 1.00 13.03 H new ATOM 1103 N SER A 73 7.841 4.365 2.938 1.00 11.20 N ATOM 1104 CA SER A 73 7.735 5.200 4.145 1.00 51.42 C ATOM 1105 C SER A 73 7.390 6.665 3.818 1.00 1.22 C ATOM 1106 O SER A 73 6.520 7.257 4.458 1.00 2.32 O ATOM 1107 CB SER A 73 9.038 5.142 4.955 1.00 43.05 C ATOM 1108 OG SER A 73 8.919 5.852 6.181 1.00 3.05 O ATOM 0 H SER A 73 8.782 4.020 2.748 1.00 11.20 H new ATOM 0 HA SER A 73 6.916 4.793 4.739 1.00 51.42 H new ATOM 0 HB2 SER A 73 9.296 4.103 5.158 1.00 43.05 H new ATOM 0 HB3 SER A 73 9.853 5.563 4.367 1.00 43.05 H new ATOM 0 HG SER A 73 8.199 5.459 6.718 1.00 3.05 H new ATOM 1114 N GLN A 74 8.064 7.251 2.820 1.00 40.41 N ATOM 1115 CA GLN A 74 7.823 8.659 2.454 1.00 0.44 C ATOM 1116 C GLN A 74 6.387 8.872 1.951 1.00 12.10 C ATOM 1117 O GLN A 74 5.770 9.905 2.206 1.00 45.43 O ATOM 1118 CB GLN A 74 8.823 9.140 1.397 1.00 1.33 C ATOM 1119 CG GLN A 74 8.700 8.423 0.072 1.00 23.33 C ATOM 1120 CD GLN A 74 9.717 8.896 -0.957 1.00 5.02 C ATOM 1121 OE1 GLN A 74 10.819 8.369 -1.053 1.00 22.20 O ATOM 1122 NE2 GLN A 74 9.356 9.895 -1.735 1.00 32.43 N ATOM 0 H GLN A 74 8.773 6.782 2.256 1.00 40.41 H new ATOM 0 HA GLN A 74 7.963 9.250 3.359 1.00 0.44 H new ATOM 0 HB2 GLN A 74 8.682 10.209 1.236 1.00 1.33 H new ATOM 0 HB3 GLN A 74 9.835 9.006 1.780 1.00 1.33 H new ATOM 0 HG2 GLN A 74 8.824 7.352 0.232 1.00 23.33 H new ATOM 0 HG3 GLN A 74 7.695 8.572 -0.323 1.00 23.33 H new ATOM 0 HE21 GLN A 74 8.432 10.314 -1.632 1.00 32.43 H new ATOM 0 HE22 GLN A 74 10.001 10.250 -2.441 1.00 32.43 H new ATOM 1131 N ALA A 75 5.864 7.891 1.226 1.00 60.14 N ATOM 1132 CA ALA A 75 4.470 7.922 0.783 1.00 31.43 C ATOM 1133 C ALA A 75 3.513 7.950 1.986 1.00 44.41 C ATOM 1134 O ALA A 75 2.610 8.786 2.062 1.00 33.34 O ATOM 1135 CB ALA A 75 4.182 6.723 -0.108 1.00 31.05 C ATOM 0 H ALA A 75 6.381 7.063 0.931 1.00 60.14 H new ATOM 0 HA ALA A 75 4.308 8.833 0.208 1.00 31.43 H new ATOM 0 HB1 ALA A 75 3.142 6.753 -0.434 1.00 31.05 H new ATOM 0 HB2 ALA A 75 4.836 6.752 -0.979 1.00 31.05 H new ATOM 0 HB3 ALA A 75 4.361 5.804 0.450 1.00 31.05 H new ATOM 1141 N VAL A 76 3.719 7.033 2.925 1.00 72.53 N ATOM 1142 CA VAL A 76 2.963 7.032 4.184 1.00 44.21 C ATOM 1143 C VAL A 76 3.076 8.390 4.898 1.00 43.11 C ATOM 1144 O VAL A 76 2.096 8.903 5.442 1.00 1.22 O ATOM 1145 CB VAL A 76 3.458 5.909 5.124 1.00 54.54 C ATOM 1146 CG1 VAL A 76 2.703 5.926 6.449 1.00 4.42 C ATOM 1147 CG2 VAL A 76 3.322 4.553 4.445 1.00 54.54 C ATOM 0 H VAL A 76 4.401 6.279 2.844 1.00 72.53 H new ATOM 0 HA VAL A 76 1.917 6.851 3.937 1.00 44.21 H new ATOM 0 HB VAL A 76 4.511 6.087 5.340 1.00 54.54 H new ATOM 0 HG11 VAL A 76 3.073 5.125 7.089 1.00 4.42 H new ATOM 0 HG12 VAL A 76 2.857 6.885 6.943 1.00 4.42 H new ATOM 0 HG13 VAL A 76 1.639 5.780 6.263 1.00 4.42 H new ATOM 0 HG21 VAL A 76 3.674 3.772 5.119 1.00 54.54 H new ATOM 0 HG22 VAL A 76 2.276 4.374 4.197 1.00 54.54 H new ATOM 0 HG23 VAL A 76 3.918 4.541 3.533 1.00 54.54 H new ATOM 1157 N ASN A 77 4.281 8.959 4.878 1.00 1.41 N ATOM 1158 CA ASN A 77 4.531 10.311 5.397 1.00 65.04 C ATOM 1159 C ASN A 77 3.552 11.318 4.782 1.00 44.32 C ATOM 1160 O ASN A 77 2.909 12.097 5.483 1.00 70.13 O ATOM 1161 CB ASN A 77 5.959 10.734 5.047 1.00 61.21 C ATOM 1162 CG ASN A 77 6.383 12.026 5.714 1.00 60.23 C ATOM 1163 OD1 ASN A 77 6.024 12.303 6.852 1.00 12.21 O ATOM 1164 ND2 ASN A 77 7.131 12.841 4.999 1.00 63.33 N ATOM 0 H ASN A 77 5.112 8.501 4.504 1.00 1.41 H new ATOM 0 HA ASN A 77 4.394 10.296 6.478 1.00 65.04 H new ATOM 0 HB2 ASN A 77 6.647 9.940 5.338 1.00 61.21 H new ATOM 0 HB3 ASN A 77 6.042 10.847 3.966 1.00 61.21 H new ATOM 0 HD21 ASN A 77 7.429 13.735 5.390 1.00 63.33 H new ATOM 0 HD22 ASN A 77 7.412 12.579 4.054 1.00 63.33 H new ATOM 1171 N LEU A 78 3.460 11.280 3.460 1.00 55.00 N ATOM 1172 CA LEU A 78 2.575 12.159 2.696 1.00 73.13 C ATOM 1173 C LEU A 78 1.105 11.995 3.109 1.00 65.44 C ATOM 1174 O LEU A 78 0.372 12.975 3.230 1.00 23.13 O ATOM 1175 CB LEU A 78 2.761 11.860 1.204 1.00 53.20 C ATOM 1176 CG LEU A 78 4.168 12.173 0.671 1.00 65.25 C ATOM 1177 CD1 LEU A 78 4.412 11.489 -0.670 1.00 63.11 C ATOM 1178 CD2 LEU A 78 4.372 13.682 0.558 1.00 21.01 C ATOM 0 H LEU A 78 3.999 10.636 2.881 1.00 55.00 H new ATOM 0 HA LEU A 78 2.840 13.195 2.905 1.00 73.13 H new ATOM 0 HB2 LEU A 78 2.543 10.807 1.026 1.00 53.20 H new ATOM 0 HB3 LEU A 78 2.032 12.437 0.635 1.00 53.20 H new ATOM 0 HG LEU A 78 4.896 11.780 1.381 1.00 65.25 H new ATOM 0 HD11 LEU A 78 5.415 11.728 -1.023 1.00 63.11 H new ATOM 0 HD12 LEU A 78 4.317 10.410 -0.551 1.00 63.11 H new ATOM 0 HD13 LEU A 78 3.679 11.840 -1.396 1.00 63.11 H new ATOM 0 HD21 LEU A 78 5.373 13.886 0.179 1.00 21.01 H new ATOM 0 HD22 LEU A 78 3.633 14.099 -0.126 1.00 21.01 H new ATOM 0 HD23 LEU A 78 4.255 14.139 1.540 1.00 21.01 H new ATOM 1190 N LEU A 79 0.679 10.754 3.338 1.00 2.21 N ATOM 1191 CA LEU A 79 -0.698 10.481 3.764 1.00 42.10 C ATOM 1192 C LEU A 79 -0.977 11.001 5.179 1.00 30.33 C ATOM 1193 O LEU A 79 -1.947 11.730 5.399 1.00 13.51 O ATOM 1194 CB LEU A 79 -0.999 8.983 3.694 1.00 31.21 C ATOM 1195 CG LEU A 79 -1.063 8.405 2.275 1.00 12.04 C ATOM 1196 CD1 LEU A 79 -1.311 6.904 2.315 1.00 11.31 C ATOM 1197 CD2 LEU A 79 -2.143 9.110 1.457 1.00 52.22 C ATOM 0 H LEU A 79 1.262 9.923 3.237 1.00 2.21 H new ATOM 0 HA LEU A 79 -1.355 11.014 3.076 1.00 42.10 H new ATOM 0 HB2 LEU A 79 -0.234 8.447 4.255 1.00 31.21 H new ATOM 0 HB3 LEU A 79 -1.950 8.794 4.191 1.00 31.21 H new ATOM 0 HG LEU A 79 -0.101 8.577 1.792 1.00 12.04 H new ATOM 0 HD11 LEU A 79 -1.353 6.515 1.298 1.00 11.31 H new ATOM 0 HD12 LEU A 79 -0.501 6.416 2.857 1.00 11.31 H new ATOM 0 HD13 LEU A 79 -2.257 6.705 2.819 1.00 11.31 H new ATOM 0 HD21 LEU A 79 -2.174 8.687 0.453 1.00 52.22 H new ATOM 0 HD22 LEU A 79 -3.111 8.973 1.938 1.00 52.22 H new ATOM 0 HD23 LEU A 79 -1.916 10.174 1.395 1.00 52.22 H new ATOM 1209 N ARG A 80 -0.138 10.628 6.143 1.00 34.44 N ATOM 1210 CA ARG A 80 -0.310 11.112 7.517 1.00 41.30 C ATOM 1211 C ARG A 80 -0.176 12.642 7.574 1.00 74.12 C ATOM 1212 O ARG A 80 -0.837 13.305 8.373 1.00 25.20 O ATOM 1213 CB ARG A 80 0.679 10.433 8.479 1.00 53.42 C ATOM 1214 CG ARG A 80 2.144 10.652 8.132 1.00 42.45 C ATOM 1215 CD ARG A 80 3.078 9.947 9.112 1.00 65.23 C ATOM 1216 NE ARG A 80 2.858 8.498 9.162 1.00 25.41 N ATOM 1217 CZ ARG A 80 3.819 7.610 9.236 1.00 44.20 C ATOM 1218 NH1 ARG A 80 5.059 7.978 9.239 1.00 54.52 N ATOM 1219 NH2 ARG A 80 3.531 6.349 9.301 1.00 64.30 N ATOM 0 H ARG A 80 0.656 10.003 6.006 1.00 34.44 H new ATOM 0 HA ARG A 80 -1.316 10.846 7.842 1.00 41.30 H new ATOM 0 HB2 ARG A 80 0.498 10.803 9.488 1.00 53.42 H new ATOM 0 HB3 ARG A 80 0.477 9.362 8.492 1.00 53.42 H new ATOM 0 HG2 ARG A 80 2.336 10.287 7.123 1.00 42.45 H new ATOM 0 HG3 ARG A 80 2.360 11.720 8.131 1.00 42.45 H new ATOM 0 HD2 ARG A 80 4.112 10.144 8.828 1.00 65.23 H new ATOM 0 HD3 ARG A 80 2.936 10.366 10.108 1.00 65.23 H new ATOM 0 HE ARG A 80 1.896 8.160 9.138 1.00 25.41 H new ATOM 0 HH11 ARG A 80 5.297 8.968 9.183 1.00 54.52 H new ATOM 0 HH12 ARG A 80 5.799 7.278 9.297 1.00 54.52 H new ATOM 0 HH21 ARG A 80 2.557 6.047 9.295 1.00 64.30 H new ATOM 0 HH22 ARG A 80 4.279 5.657 9.359 1.00 64.30 H new ATOM 1233 N SER A 81 0.665 13.205 6.703 1.00 53.24 N ATOM 1234 CA SER A 81 0.772 14.666 6.574 1.00 40.42 C ATOM 1235 C SER A 81 -0.486 15.251 5.910 1.00 40.41 C ATOM 1236 O SER A 81 -0.842 16.404 6.142 1.00 2.24 O ATOM 1237 CB SER A 81 2.015 15.055 5.759 1.00 12.33 C ATOM 1238 OG SER A 81 2.204 16.466 5.731 1.00 32.14 O ATOM 0 H SER A 81 1.278 12.679 6.080 1.00 53.24 H new ATOM 0 HA SER A 81 0.866 15.079 7.578 1.00 40.42 H new ATOM 0 HB2 SER A 81 2.896 14.578 6.188 1.00 12.33 H new ATOM 0 HB3 SER A 81 1.914 14.681 4.740 1.00 12.33 H new ATOM 0 HG SER A 81 3.004 16.679 5.206 1.00 32.14 H new ATOM 1244 N ALA A 82 -1.157 14.443 5.083 1.00 62.12 N ATOM 1245 CA ALA A 82 -2.412 14.852 4.434 1.00 4.14 C ATOM 1246 C ALA A 82 -3.617 14.745 5.387 1.00 64.33 C ATOM 1247 O ALA A 82 -4.750 15.058 5.008 1.00 42.40 O ATOM 1248 CB ALA A 82 -2.657 14.014 3.180 1.00 22.23 C ATOM 0 H ALA A 82 -0.853 13.499 4.845 1.00 62.12 H new ATOM 0 HA ALA A 82 -2.307 15.900 4.154 1.00 4.14 H new ATOM 0 HB1 ALA A 82 -3.589 14.327 2.710 1.00 22.23 H new ATOM 0 HB2 ALA A 82 -1.832 14.155 2.481 1.00 22.23 H new ATOM 0 HB3 ALA A 82 -2.724 12.961 3.454 1.00 22.23 H new ATOM 1254 N GLY A 83 -3.376 14.293 6.618 1.00 74.22 N ATOM 1255 CA GLY A 83 -4.445 14.213 7.610 1.00 31.13 C ATOM 1256 C GLY A 83 -4.855 12.788 7.964 1.00 32.35 C ATOM 1257 O GLY A 83 -5.558 12.570 8.952 1.00 42.21 O ATOM 0 H GLY A 83 -2.463 13.981 6.948 1.00 74.22 H new ATOM 0 HA2 GLY A 83 -4.124 14.724 8.518 1.00 31.13 H new ATOM 0 HA3 GLY A 83 -5.317 14.749 7.234 1.00 31.13 H new ATOM 1261 N PHE A 84 -4.453 11.818 7.150 1.00 34.40 N ATOM 1262 CA PHE A 84 -4.776 10.411 7.416 1.00 2.13 C ATOM 1263 C PHE A 84 -4.192 9.932 8.751 1.00 21.30 C ATOM 1264 O PHE A 84 -2.983 9.974 8.979 1.00 2.15 O ATOM 1265 CB PHE A 84 -4.279 9.511 6.280 1.00 0.40 C ATOM 1266 CG PHE A 84 -4.983 9.720 4.962 1.00 23.42 C ATOM 1267 CD1 PHE A 84 -4.568 10.712 4.085 1.00 42.51 C ATOM 1268 CD2 PHE A 84 -6.056 8.916 4.595 1.00 41.34 C ATOM 1269 CE1 PHE A 84 -5.205 10.900 2.878 1.00 10.15 C ATOM 1270 CE2 PHE A 84 -6.695 9.102 3.385 1.00 44.44 C ATOM 1271 CZ PHE A 84 -6.271 10.095 2.529 1.00 31.41 C ATOM 0 H PHE A 84 -3.906 11.973 6.304 1.00 34.40 H new ATOM 0 HA PHE A 84 -5.862 10.342 7.477 1.00 2.13 H new ATOM 0 HB2 PHE A 84 -3.212 9.682 6.138 1.00 0.40 H new ATOM 0 HB3 PHE A 84 -4.398 8.470 6.580 1.00 0.40 H new ATOM 0 HD1 PHE A 84 -3.735 11.345 4.352 1.00 42.51 H new ATOM 0 HD2 PHE A 84 -6.393 8.138 5.263 1.00 41.34 H new ATOM 0 HE1 PHE A 84 -4.871 11.676 2.206 1.00 10.15 H new ATOM 0 HE2 PHE A 84 -7.526 8.470 3.110 1.00 44.44 H new ATOM 0 HZ PHE A 84 -6.773 10.244 1.584 1.00 31.41 H new ATOM 1281 N GLU A 85 -5.078 9.476 9.621 1.00 13.11 N ATOM 1282 CA GLU A 85 -4.716 9.001 10.952 1.00 3.31 C ATOM 1283 C GLU A 85 -4.265 7.537 10.940 1.00 10.22 C ATOM 1284 O GLU A 85 -3.310 7.162 11.619 1.00 20.35 O ATOM 1285 CB GLU A 85 -5.922 9.174 11.872 1.00 73.43 C ATOM 1286 CG GLU A 85 -6.259 10.636 12.130 1.00 71.15 C ATOM 1287 CD GLU A 85 -5.194 11.329 12.963 1.00 32.35 C ATOM 1288 OE1 GLU A 85 -5.130 11.078 14.183 1.00 12.10 O ATOM 1289 OE2 GLU A 85 -4.395 12.105 12.399 1.00 62.22 O ATOM 0 H GLU A 85 -6.078 9.423 9.425 1.00 13.11 H new ATOM 0 HA GLU A 85 -3.871 9.588 11.313 1.00 3.31 H new ATOM 0 HB2 GLU A 85 -6.786 8.679 11.429 1.00 73.43 H new ATOM 0 HB3 GLU A 85 -5.723 8.678 12.822 1.00 73.43 H new ATOM 0 HG2 GLU A 85 -6.369 11.156 11.178 1.00 71.15 H new ATOM 0 HG3 GLU A 85 -7.219 10.702 12.642 1.00 71.15 H new ATOM 1296 N HIS A 86 -4.961 6.710 10.168 1.00 14.23 N ATOM 1297 CA HIS A 86 -4.667 5.272 10.131 1.00 51.04 C ATOM 1298 C HIS A 86 -3.891 4.882 8.863 1.00 22.24 C ATOM 1299 O HIS A 86 -4.480 4.446 7.881 1.00 32.31 O ATOM 1300 CB HIS A 86 -5.968 4.462 10.218 1.00 5.54 C ATOM 1301 CG HIS A 86 -6.776 4.732 11.451 1.00 74.31 C ATOM 1302 ND1 HIS A 86 -7.113 3.755 12.363 1.00 44.21 N ATOM 1303 CD2 HIS A 86 -7.321 5.879 11.919 1.00 0.15 C ATOM 1304 CE1 HIS A 86 -7.823 4.292 13.337 1.00 5.25 C ATOM 1305 NE2 HIS A 86 -7.965 5.578 13.091 1.00 72.44 N ATOM 0 H HIS A 86 -5.728 7.002 9.562 1.00 14.23 H new ATOM 0 HA HIS A 86 -4.038 5.043 10.991 1.00 51.04 H new ATOM 0 HB2 HIS A 86 -6.578 4.680 9.342 1.00 5.54 H new ATOM 0 HB3 HIS A 86 -5.725 3.400 10.181 1.00 5.54 H new ATOM 0 HD1 HIS A 86 -6.854 2.771 12.296 1.00 44.21 H new ATOM 0 HD2 HIS A 86 -7.260 6.852 11.455 1.00 0.15 H new ATOM 0 HE1 HIS A 86 -8.221 3.766 14.192 1.00 5.25 H new ATOM 1314 N VAL A 87 -2.568 5.056 8.876 1.00 53.41 N ATOM 1315 CA VAL A 87 -1.726 4.651 7.734 1.00 72.33 C ATOM 1316 C VAL A 87 -0.427 3.978 8.206 1.00 12.23 C ATOM 1317 O VAL A 87 0.295 4.519 9.046 1.00 2.32 O ATOM 1318 CB VAL A 87 -1.356 5.845 6.813 1.00 34.02 C ATOM 1319 CG1 VAL A 87 -0.623 5.351 5.566 1.00 2.05 C ATOM 1320 CG2 VAL A 87 -2.594 6.644 6.421 1.00 55.10 C ATOM 0 H VAL A 87 -2.054 5.470 9.654 1.00 53.41 H new ATOM 0 HA VAL A 87 -2.326 3.942 7.163 1.00 72.33 H new ATOM 0 HB VAL A 87 -0.692 6.506 7.371 1.00 34.02 H new ATOM 0 HG11 VAL A 87 -0.371 6.201 4.931 1.00 2.05 H new ATOM 0 HG12 VAL A 87 0.291 4.835 5.861 1.00 2.05 H new ATOM 0 HG13 VAL A 87 -1.265 4.664 5.015 1.00 2.05 H new ATOM 0 HG21 VAL A 87 -2.303 7.473 5.776 1.00 55.10 H new ATOM 0 HG22 VAL A 87 -3.291 5.997 5.888 1.00 55.10 H new ATOM 0 HG23 VAL A 87 -3.075 7.034 7.318 1.00 55.10 H new ATOM 1330 N SER A 88 -0.129 2.809 7.642 1.00 53.14 N ATOM 1331 CA SER A 88 1.071 2.042 8.011 1.00 14.23 C ATOM 1332 C SER A 88 1.916 1.690 6.780 1.00 1.21 C ATOM 1333 O SER A 88 1.380 1.306 5.734 1.00 51.32 O ATOM 1334 CB SER A 88 0.664 0.751 8.736 1.00 54.42 C ATOM 1335 OG SER A 88 1.795 -0.034 9.081 1.00 64.24 O ATOM 0 H SER A 88 -0.702 2.366 6.924 1.00 53.14 H new ATOM 0 HA SER A 88 1.673 2.666 8.671 1.00 14.23 H new ATOM 0 HB2 SER A 88 0.105 1.000 9.638 1.00 54.42 H new ATOM 0 HB3 SER A 88 -0.002 0.170 8.099 1.00 54.42 H new ATOM 0 HG SER A 88 1.499 -0.860 9.517 1.00 64.24 H new ATOM 1341 N GLU A 89 3.238 1.827 6.903 1.00 71.30 N ATOM 1342 CA GLU A 89 4.160 1.423 5.834 1.00 2.34 C ATOM 1343 C GLU A 89 4.380 -0.099 5.832 1.00 32.43 C ATOM 1344 O GLU A 89 4.810 -0.687 6.829 1.00 61.41 O ATOM 1345 CB GLU A 89 5.511 2.172 5.937 1.00 54.53 C ATOM 1346 CG GLU A 89 6.046 2.357 7.358 1.00 63.14 C ATOM 1347 CD GLU A 89 5.874 3.782 7.876 1.00 11.31 C ATOM 1348 OE1 GLU A 89 6.787 4.609 7.665 1.00 11.13 O ATOM 1349 OE2 GLU A 89 4.831 4.084 8.497 1.00 1.50 O ATOM 0 H GLU A 89 3.695 2.213 7.729 1.00 71.30 H new ATOM 0 HA GLU A 89 3.697 1.699 4.887 1.00 2.34 H new ATOM 0 HB2 GLU A 89 6.255 1.629 5.354 1.00 54.53 H new ATOM 0 HB3 GLU A 89 5.400 3.154 5.477 1.00 54.53 H new ATOM 0 HG2 GLU A 89 5.531 1.668 8.027 1.00 63.14 H new ATOM 0 HG3 GLU A 89 7.103 2.093 7.380 1.00 63.14 H new ATOM 1356 N LEU A 90 4.070 -0.731 4.699 1.00 31.30 N ATOM 1357 CA LEU A 90 4.186 -2.184 4.557 1.00 10.14 C ATOM 1358 C LEU A 90 5.649 -2.610 4.349 1.00 74.13 C ATOM 1359 O LEU A 90 6.345 -2.082 3.481 1.00 52.44 O ATOM 1360 CB LEU A 90 3.326 -2.672 3.381 1.00 12.32 C ATOM 1361 CG LEU A 90 3.150 -4.195 3.280 1.00 1.14 C ATOM 1362 CD1 LEU A 90 2.404 -4.730 4.501 1.00 71.22 C ATOM 1363 CD2 LEU A 90 2.421 -4.573 1.991 1.00 65.02 C ATOM 0 H LEU A 90 3.734 -0.256 3.861 1.00 31.30 H new ATOM 0 HA LEU A 90 3.827 -2.640 5.480 1.00 10.14 H new ATOM 0 HB2 LEU A 90 2.340 -2.214 3.459 1.00 12.32 H new ATOM 0 HB3 LEU A 90 3.772 -2.313 2.453 1.00 12.32 H new ATOM 0 HG LEU A 90 4.139 -4.653 3.255 1.00 1.14 H new ATOM 0 HD11 LEU A 90 2.288 -5.810 4.412 1.00 71.22 H new ATOM 0 HD12 LEU A 90 2.970 -4.498 5.403 1.00 71.22 H new ATOM 0 HD13 LEU A 90 1.421 -4.264 4.560 1.00 71.22 H new ATOM 0 HD21 LEU A 90 2.308 -5.656 1.941 1.00 65.02 H new ATOM 0 HD22 LEU A 90 1.437 -4.104 1.979 1.00 65.02 H new ATOM 0 HD23 LEU A 90 2.998 -4.229 1.133 1.00 65.02 H new ATOM 1375 N LYS A 91 6.102 -3.578 5.138 1.00 22.13 N ATOM 1376 CA LYS A 91 7.489 -4.047 5.084 1.00 0.41 C ATOM 1377 C LYS A 91 7.695 -5.119 4.004 1.00 74.11 C ATOM 1378 O LYS A 91 7.086 -6.191 4.043 1.00 31.05 O ATOM 1379 CB LYS A 91 7.909 -4.590 6.461 1.00 5.21 C ATOM 1380 CG LYS A 91 7.966 -3.526 7.557 1.00 45.00 C ATOM 1381 CD LYS A 91 9.363 -2.923 7.728 1.00 54.21 C ATOM 1382 CE LYS A 91 9.824 -2.156 6.496 1.00 63.34 C ATOM 1383 NZ LYS A 91 11.201 -1.630 6.660 1.00 43.41 N ATOM 0 H LYS A 91 5.526 -4.059 5.829 1.00 22.13 H new ATOM 0 HA LYS A 91 8.117 -3.197 4.818 1.00 0.41 H new ATOM 0 HB2 LYS A 91 7.209 -5.370 6.762 1.00 5.21 H new ATOM 0 HB3 LYS A 91 8.889 -5.058 6.372 1.00 5.21 H new ATOM 0 HG2 LYS A 91 7.259 -2.731 7.322 1.00 45.00 H new ATOM 0 HG3 LYS A 91 7.648 -3.967 8.502 1.00 45.00 H new ATOM 0 HD2 LYS A 91 9.363 -2.254 8.589 1.00 54.21 H new ATOM 0 HD3 LYS A 91 10.075 -3.720 7.943 1.00 54.21 H new ATOM 0 HE2 LYS A 91 9.786 -2.810 5.625 1.00 63.34 H new ATOM 0 HE3 LYS A 91 9.139 -1.330 6.305 1.00 63.34 H new ATOM 0 HZ1 LYS A 91 11.575 -1.342 5.733 1.00 43.41 H new ATOM 0 HZ2 LYS A 91 11.185 -0.809 7.298 1.00 43.41 H new ATOM 0 HZ3 LYS A 91 11.810 -2.370 7.064 1.00 43.41 H new ATOM 1397 N GLY A 92 8.557 -4.809 3.039 1.00 62.15 N ATOM 1398 CA GLY A 92 8.920 -5.771 2.000 1.00 54.34 C ATOM 1399 C GLY A 92 8.337 -5.454 0.621 1.00 73.41 C ATOM 1400 O GLY A 92 8.875 -5.891 -0.401 1.00 51.43 O ATOM 0 H GLY A 92 9.016 -3.902 2.954 1.00 62.15 H new ATOM 0 HA2 GLY A 92 10.006 -5.812 1.922 1.00 54.34 H new ATOM 0 HA3 GLY A 92 8.584 -6.762 2.305 1.00 54.34 H new ATOM 1404 N GLY A 93 7.237 -4.705 0.583 1.00 12.34 N ATOM 1405 CA GLY A 93 6.613 -4.359 -0.693 1.00 13.00 C ATOM 1406 C GLY A 93 5.880 -5.529 -1.356 1.00 5.01 C ATOM 1407 O GLY A 93 5.480 -6.489 -0.689 1.00 4.25 O ATOM 0 H GLY A 93 6.765 -4.331 1.406 1.00 12.34 H new ATOM 0 HA2 GLY A 93 5.908 -3.543 -0.533 1.00 13.00 H new ATOM 0 HA3 GLY A 93 7.380 -3.989 -1.374 1.00 13.00 H new ATOM 1411 N LEU A 94 5.714 -5.451 -2.678 1.00 61.55 N ATOM 1412 CA LEU A 94 4.983 -6.480 -3.432 1.00 51.14 C ATOM 1413 C LEU A 94 5.737 -7.820 -3.445 1.00 52.00 C ATOM 1414 O LEU A 94 5.140 -8.878 -3.251 1.00 73.04 O ATOM 1415 CB LEU A 94 4.733 -6.013 -4.873 1.00 2.25 C ATOM 1416 CG LEU A 94 3.920 -6.988 -5.742 1.00 44.41 C ATOM 1417 CD1 LEU A 94 2.484 -7.106 -5.237 1.00 63.43 C ATOM 1418 CD2 LEU A 94 3.949 -6.565 -7.207 1.00 25.15 C ATOM 0 H LEU A 94 6.074 -4.688 -3.251 1.00 61.55 H new ATOM 0 HA LEU A 94 4.028 -6.633 -2.929 1.00 51.14 H new ATOM 0 HB2 LEU A 94 4.212 -5.056 -4.843 1.00 2.25 H new ATOM 0 HB3 LEU A 94 5.695 -5.837 -5.354 1.00 2.25 H new ATOM 0 HG LEU A 94 4.384 -7.972 -5.665 1.00 44.41 H new ATOM 0 HD11 LEU A 94 1.932 -7.801 -5.869 1.00 63.43 H new ATOM 0 HD12 LEU A 94 2.488 -7.474 -4.211 1.00 63.43 H new ATOM 0 HD13 LEU A 94 2.005 -6.127 -5.270 1.00 63.43 H new ATOM 0 HD21 LEU A 94 3.367 -7.270 -7.801 1.00 25.15 H new ATOM 0 HD22 LEU A 94 3.521 -5.567 -7.306 1.00 25.15 H new ATOM 0 HD23 LEU A 94 4.979 -6.555 -7.562 1.00 25.15 H new ATOM 1430 N ALA A 95 7.046 -7.767 -3.684 1.00 71.42 N ATOM 1431 CA ALA A 95 7.895 -8.966 -3.691 1.00 54.42 C ATOM 1432 C ALA A 95 7.726 -9.816 -2.417 1.00 12.24 C ATOM 1433 O ALA A 95 7.621 -11.037 -2.495 1.00 53.24 O ATOM 1434 CB ALA A 95 9.354 -8.567 -3.869 1.00 70.22 C ATOM 0 H ALA A 95 7.549 -6.901 -3.877 1.00 71.42 H new ATOM 0 HA ALA A 95 7.577 -9.584 -4.531 1.00 54.42 H new ATOM 0 HB1 ALA A 95 9.978 -9.461 -3.873 1.00 70.22 H new ATOM 0 HB2 ALA A 95 9.474 -8.037 -4.814 1.00 70.22 H new ATOM 0 HB3 ALA A 95 9.656 -7.917 -3.048 1.00 70.22 H new ATOM 1440 N ALA A 96 7.694 -9.167 -1.251 1.00 42.23 N ATOM 1441 CA ALA A 96 7.453 -9.872 0.019 1.00 32.24 C ATOM 1442 C ALA A 96 6.058 -10.519 0.039 1.00 44.41 C ATOM 1443 O ALA A 96 5.909 -11.700 0.365 1.00 55.20 O ATOM 1444 CB ALA A 96 7.609 -8.918 1.195 1.00 44.25 C ATOM 0 H ALA A 96 7.831 -8.161 -1.155 1.00 42.23 H new ATOM 0 HA ALA A 96 8.195 -10.665 0.108 1.00 32.24 H new ATOM 0 HB1 ALA A 96 7.427 -9.455 2.126 1.00 44.25 H new ATOM 0 HB2 ALA A 96 8.620 -8.511 1.202 1.00 44.25 H new ATOM 0 HB3 ALA A 96 6.891 -8.103 1.100 1.00 44.25 H new ATOM 1450 N TRP A 97 5.040 -9.732 -0.323 1.00 70.23 N ATOM 1451 CA TRP A 97 3.663 -10.232 -0.455 1.00 0.10 C ATOM 1452 C TRP A 97 3.614 -11.469 -1.371 1.00 51.45 C ATOM 1453 O TRP A 97 2.897 -12.430 -1.107 1.00 15.43 O ATOM 1454 CB TRP A 97 2.767 -9.117 -1.021 1.00 44.52 C ATOM 1455 CG TRP A 97 1.321 -9.498 -1.158 1.00 2.34 C ATOM 1456 CD1 TRP A 97 0.702 -9.995 -2.269 1.00 25.10 C ATOM 1457 CD2 TRP A 97 0.313 -9.404 -0.147 1.00 70.34 C ATOM 1458 NE1 TRP A 97 -0.627 -10.222 -2.008 1.00 21.42 N ATOM 1459 CE2 TRP A 97 -0.890 -9.866 -0.712 1.00 70.53 C ATOM 1460 CE3 TRP A 97 0.314 -8.979 1.184 1.00 32.34 C ATOM 1461 CZ2 TRP A 97 -2.081 -9.912 0.008 1.00 53.13 C ATOM 1462 CZ3 TRP A 97 -0.867 -9.022 1.896 1.00 62.44 C ATOM 1463 CH2 TRP A 97 -2.050 -9.488 1.309 1.00 2.23 C ATOM 0 H TRP A 97 5.143 -8.739 -0.532 1.00 70.23 H new ATOM 0 HA TRP A 97 3.300 -10.527 0.530 1.00 0.10 H new ATOM 0 HB2 TRP A 97 2.841 -8.243 -0.373 1.00 44.52 H new ATOM 0 HB3 TRP A 97 3.147 -8.822 -1.999 1.00 44.52 H new ATOM 0 HD1 TRP A 97 1.187 -10.182 -3.216 1.00 25.10 H new ATOM 0 HE1 TRP A 97 -1.307 -10.595 -2.671 1.00 21.42 H new ATOM 0 HE3 TRP A 97 1.223 -8.623 1.647 1.00 32.34 H new ATOM 0 HZ2 TRP A 97 -2.995 -10.269 -0.443 1.00 53.13 H new ATOM 0 HZ3 TRP A 97 -0.879 -8.691 2.924 1.00 62.44 H new ATOM 0 HH2 TRP A 97 -2.957 -9.513 1.895 1.00 2.23 H new ATOM 1474 N LYS A 98 4.402 -11.436 -2.439 1.00 13.32 N ATOM 1475 CA LYS A 98 4.475 -12.539 -3.401 1.00 24.12 C ATOM 1476 C LYS A 98 5.326 -13.712 -2.884 1.00 21.04 C ATOM 1477 O LYS A 98 5.032 -14.874 -3.171 1.00 53.00 O ATOM 1478 CB LYS A 98 5.039 -12.016 -4.728 1.00 45.33 C ATOM 1479 CG LYS A 98 4.094 -11.052 -5.440 1.00 61.34 C ATOM 1480 CD LYS A 98 4.742 -10.375 -6.644 1.00 53.35 C ATOM 1481 CE LYS A 98 5.487 -11.365 -7.526 1.00 52.21 C ATOM 1482 NZ LYS A 98 5.768 -10.802 -8.871 1.00 64.50 N ATOM 0 H LYS A 98 5.009 -10.648 -2.666 1.00 13.32 H new ATOM 0 HA LYS A 98 3.466 -12.923 -3.549 1.00 24.12 H new ATOM 0 HB2 LYS A 98 5.988 -11.513 -4.540 1.00 45.33 H new ATOM 0 HB3 LYS A 98 5.250 -12.860 -5.384 1.00 45.33 H new ATOM 0 HG2 LYS A 98 3.207 -11.594 -5.767 1.00 61.34 H new ATOM 0 HG3 LYS A 98 3.760 -10.290 -4.736 1.00 61.34 H new ATOM 0 HD2 LYS A 98 3.975 -9.872 -7.233 1.00 53.35 H new ATOM 0 HD3 LYS A 98 5.434 -9.607 -6.298 1.00 53.35 H new ATOM 0 HE2 LYS A 98 6.425 -11.645 -7.046 1.00 52.21 H new ATOM 0 HE3 LYS A 98 4.897 -12.276 -7.629 1.00 52.21 H new ATOM 0 HZ1 LYS A 98 6.277 -11.506 -9.443 1.00 64.50 H new ATOM 0 HZ2 LYS A 98 4.872 -10.558 -9.339 1.00 64.50 H new ATOM 0 HZ3 LYS A 98 6.352 -9.947 -8.774 1.00 64.50 H new ATOM 1496 N ALA A 99 6.373 -13.404 -2.123 1.00 72.10 N ATOM 1497 CA ALA A 99 7.274 -14.431 -1.571 1.00 51.40 C ATOM 1498 C ALA A 99 6.536 -15.368 -0.605 1.00 22.10 C ATOM 1499 O ALA A 99 6.818 -16.569 -0.536 1.00 12.54 O ATOM 1500 CB ALA A 99 8.458 -13.771 -0.873 1.00 14.45 C ATOM 0 H ALA A 99 6.625 -12.449 -1.869 1.00 72.10 H new ATOM 0 HA ALA A 99 7.641 -15.035 -2.400 1.00 51.40 H new ATOM 0 HB1 ALA A 99 9.117 -14.540 -0.469 1.00 14.45 H new ATOM 0 HB2 ALA A 99 9.009 -13.161 -1.589 1.00 14.45 H new ATOM 0 HB3 ALA A 99 8.096 -13.140 -0.061 1.00 14.45 H new ATOM 1506 N ILE A 100 5.585 -14.811 0.138 1.00 45.10 N ATOM 1507 CA ILE A 100 4.757 -15.592 1.066 1.00 52.24 C ATOM 1508 C ILE A 100 3.554 -16.238 0.349 1.00 40.50 C ATOM 1509 O ILE A 100 2.757 -16.947 0.966 1.00 43.02 O ATOM 1510 CB ILE A 100 4.245 -14.698 2.226 1.00 61.22 C ATOM 1511 CG1 ILE A 100 3.427 -13.528 1.657 1.00 55.02 C ATOM 1512 CG2 ILE A 100 5.418 -14.191 3.066 1.00 21.12 C ATOM 1513 CD1 ILE A 100 2.980 -12.516 2.689 1.00 12.32 C ATOM 0 H ILE A 100 5.364 -13.816 0.119 1.00 45.10 H new ATOM 0 HA ILE A 100 5.386 -16.386 1.468 1.00 52.24 H new ATOM 0 HB ILE A 100 3.599 -15.289 2.876 1.00 61.22 H new ATOM 0 HG12 ILE A 100 4.023 -13.018 0.901 1.00 55.02 H new ATOM 0 HG13 ILE A 100 2.547 -13.927 1.153 1.00 55.02 H new ATOM 0 HG21 ILE A 100 5.042 -13.565 3.876 1.00 21.12 H new ATOM 0 HG22 ILE A 100 5.959 -15.039 3.484 1.00 21.12 H new ATOM 0 HG23 ILE A 100 6.090 -13.606 2.437 1.00 21.12 H new ATOM 0 HD11 ILE A 100 2.410 -11.726 2.201 1.00 12.32 H new ATOM 0 HD12 ILE A 100 2.354 -13.008 3.434 1.00 12.32 H new ATOM 0 HD13 ILE A 100 3.854 -12.084 3.177 1.00 12.32 H new ATOM 1525 N GLY A 101 3.432 -15.991 -0.959 1.00 43.23 N ATOM 1526 CA GLY A 101 2.336 -16.559 -1.741 1.00 5.40 C ATOM 1527 C GLY A 101 1.037 -15.759 -1.639 1.00 70.43 C ATOM 1528 O GLY A 101 -0.054 -16.330 -1.641 1.00 52.21 O ATOM 0 H GLY A 101 4.075 -15.406 -1.493 1.00 43.23 H new ATOM 0 HA2 GLY A 101 2.638 -16.616 -2.787 1.00 5.40 H new ATOM 0 HA3 GLY A 101 2.152 -17.580 -1.406 1.00 5.40 H new ATOM 1532 N GLY A 102 1.153 -14.438 -1.536 1.00 23.23 N ATOM 1533 CA GLY A 102 -0.021 -13.576 -1.439 1.00 65.12 C ATOM 1534 C GLY A 102 -0.778 -13.416 -2.757 1.00 4.02 C ATOM 1535 O GLY A 102 -0.171 -13.402 -3.825 1.00 74.22 O ATOM 0 H GLY A 102 2.044 -13.943 -1.518 1.00 23.23 H new ATOM 0 HA2 GLY A 102 -0.699 -13.983 -0.689 1.00 65.12 H new ATOM 0 HA3 GLY A 102 0.290 -12.592 -1.087 1.00 65.12 H new ATOM 1539 N PRO A 103 -2.119 -13.289 -2.709 1.00 54.23 N ATOM 1540 CA PRO A 103 -2.947 -13.080 -3.915 1.00 62.04 C ATOM 1541 C PRO A 103 -2.577 -11.789 -4.668 1.00 71.32 C ATOM 1542 O PRO A 103 -2.585 -10.697 -4.088 1.00 11.12 O ATOM 1543 CB PRO A 103 -4.380 -12.992 -3.357 1.00 64.22 C ATOM 1544 CG PRO A 103 -4.312 -13.650 -2.018 1.00 74.13 C ATOM 1545 CD PRO A 103 -2.938 -13.354 -1.485 1.00 35.41 C ATOM 0 HA PRO A 103 -2.810 -13.878 -4.645 1.00 62.04 H new ATOM 0 HB2 PRO A 103 -4.708 -11.956 -3.272 1.00 64.22 H new ATOM 0 HB3 PRO A 103 -5.090 -13.498 -4.011 1.00 64.22 H new ATOM 0 HG2 PRO A 103 -5.082 -13.261 -1.352 1.00 74.13 H new ATOM 0 HG3 PRO A 103 -4.476 -14.724 -2.102 1.00 74.13 H new ATOM 0 HD2 PRO A 103 -2.913 -12.415 -0.931 1.00 35.41 H new ATOM 0 HD3 PRO A 103 -2.591 -14.134 -0.807 1.00 35.41 H new ATOM 1553 N THR A 104 -2.260 -11.908 -5.960 1.00 71.14 N ATOM 1554 CA THR A 104 -1.821 -10.747 -6.752 1.00 54.54 C ATOM 1555 C THR A 104 -2.614 -10.574 -8.052 1.00 71.02 C ATOM 1556 O THR A 104 -3.149 -11.532 -8.617 1.00 60.33 O ATOM 1557 CB THR A 104 -0.317 -10.827 -7.124 1.00 53.52 C ATOM 1558 OG1 THR A 104 -0.071 -11.937 -8.004 1.00 31.11 O ATOM 1559 CG2 THR A 104 0.554 -10.957 -5.879 1.00 1.23 C ATOM 0 H THR A 104 -2.297 -12.785 -6.479 1.00 71.14 H new ATOM 0 HA THR A 104 -2.002 -9.890 -6.104 1.00 54.54 H new ATOM 0 HB THR A 104 -0.056 -9.900 -7.635 1.00 53.52 H new ATOM 0 HG1 THR A 104 0.882 -11.971 -8.229 1.00 31.11 H new ATOM 0 HG21 THR A 104 1.602 -11.011 -6.172 1.00 1.23 H new ATOM 0 HG22 THR A 104 0.401 -10.090 -5.236 1.00 1.23 H new ATOM 0 HG23 THR A 104 0.282 -11.863 -5.338 1.00 1.23 H new ATOM 1567 N GLU A 105 -2.688 -9.327 -8.504 1.00 73.31 N ATOM 1568 CA GLU A 105 -3.243 -8.979 -9.814 1.00 50.11 C ATOM 1569 C GLU A 105 -2.180 -8.277 -10.665 1.00 22.24 C ATOM 1570 O GLU A 105 -1.097 -7.946 -10.183 1.00 41.43 O ATOM 1571 CB GLU A 105 -4.450 -8.045 -9.656 1.00 62.23 C ATOM 1572 CG GLU A 105 -5.676 -8.689 -9.024 1.00 20.23 C ATOM 1573 CD GLU A 105 -6.765 -7.672 -8.704 1.00 5.14 C ATOM 1574 OE1 GLU A 105 -7.219 -6.971 -9.629 1.00 25.53 O ATOM 1575 OE2 GLU A 105 -7.164 -7.560 -7.524 1.00 35.32 O ATOM 0 H GLU A 105 -2.363 -8.521 -7.970 1.00 73.31 H new ATOM 0 HA GLU A 105 -3.560 -9.899 -10.304 1.00 50.11 H new ATOM 0 HB2 GLU A 105 -4.153 -7.189 -9.050 1.00 62.23 H new ATOM 0 HB3 GLU A 105 -4.725 -7.660 -10.638 1.00 62.23 H new ATOM 0 HG2 GLU A 105 -6.076 -9.445 -9.700 1.00 20.23 H new ATOM 0 HG3 GLU A 105 -5.382 -9.203 -8.109 1.00 20.23 H new ATOM 1582 N GLY A 106 -2.502 -8.026 -11.923 1.00 52.20 N ATOM 1583 CA GLY A 106 -1.578 -7.313 -12.797 1.00 74.44 C ATOM 1584 C GLY A 106 -1.498 -7.886 -14.205 1.00 32.31 C ATOM 1585 O GLY A 106 -2.120 -8.903 -14.517 1.00 42.12 O ATOM 0 H GLY A 106 -3.382 -8.300 -12.360 1.00 52.20 H new ATOM 0 HA2 GLY A 106 -1.882 -6.268 -12.857 1.00 74.44 H new ATOM 0 HA3 GLY A 106 -0.584 -7.330 -12.351 1.00 74.44 H new ATOM 1589 N ILE A 107 -0.725 -7.220 -15.052 1.00 4.52 N ATOM 1590 CA ILE A 107 -0.514 -7.652 -16.434 1.00 51.43 C ATOM 1591 C ILE A 107 0.775 -8.480 -16.557 1.00 64.03 C ATOM 1592 O ILE A 107 0.769 -9.593 -17.082 1.00 31.31 O ATOM 1593 CB ILE A 107 -0.431 -6.428 -17.381 1.00 2.20 C ATOM 1594 CG1 ILE A 107 -1.669 -5.530 -17.196 1.00 14.53 C ATOM 1595 CG2 ILE A 107 -0.297 -6.877 -18.837 1.00 44.21 C ATOM 1596 CD1 ILE A 107 -1.678 -4.294 -18.074 1.00 34.22 C ATOM 0 H ILE A 107 -0.226 -6.366 -14.805 1.00 4.52 H new ATOM 0 HA ILE A 107 -1.363 -8.272 -16.722 1.00 51.43 H new ATOM 0 HB ILE A 107 0.457 -5.850 -17.126 1.00 2.20 H new ATOM 0 HG12 ILE A 107 -2.564 -6.117 -17.405 1.00 14.53 H new ATOM 0 HG13 ILE A 107 -1.727 -5.221 -16.152 1.00 14.53 H new ATOM 0 HG21 ILE A 107 -0.240 -6.002 -19.484 1.00 44.21 H new ATOM 0 HG22 ILE A 107 0.609 -7.473 -18.952 1.00 44.21 H new ATOM 0 HG23 ILE A 107 -1.164 -7.477 -19.114 1.00 44.21 H new ATOM 0 HD11 ILE A 107 -2.583 -3.718 -17.882 1.00 34.22 H new ATOM 0 HD12 ILE A 107 -0.804 -3.682 -17.850 1.00 34.22 H new ATOM 0 HD13 ILE A 107 -1.654 -4.592 -19.122 1.00 34.22 H new ATOM 1608 N ILE A 108 1.878 -7.933 -16.049 1.00 54.45 N ATOM 1609 CA ILE A 108 3.182 -8.605 -16.119 1.00 61.14 C ATOM 1610 C ILE A 108 3.259 -9.826 -15.191 1.00 32.42 C ATOM 1611 O ILE A 108 4.027 -10.759 -15.429 1.00 13.31 O ATOM 1612 CB ILE A 108 4.335 -7.606 -15.815 1.00 74.24 C ATOM 1613 CG1 ILE A 108 4.688 -6.790 -17.074 1.00 13.52 C ATOM 1614 CG2 ILE A 108 5.572 -8.320 -15.264 1.00 32.12 C ATOM 1615 CD1 ILE A 108 3.523 -6.023 -17.675 1.00 44.24 C ATOM 0 H ILE A 108 1.899 -7.026 -15.583 1.00 54.45 H new ATOM 0 HA ILE A 108 3.298 -8.972 -17.139 1.00 61.14 H new ATOM 0 HB ILE A 108 3.985 -6.921 -15.043 1.00 74.24 H new ATOM 0 HG12 ILE A 108 5.480 -6.085 -16.824 1.00 13.52 H new ATOM 0 HG13 ILE A 108 5.090 -7.466 -17.829 1.00 13.52 H new ATOM 0 HG21 ILE A 108 6.355 -7.589 -15.064 1.00 32.12 H new ATOM 0 HG22 ILE A 108 5.313 -8.836 -14.340 1.00 32.12 H new ATOM 0 HG23 ILE A 108 5.930 -9.044 -15.996 1.00 32.12 H new ATOM 0 HD11 ILE A 108 3.862 -5.478 -18.556 1.00 44.24 H new ATOM 0 HD12 ILE A 108 2.736 -6.721 -17.961 1.00 44.24 H new ATOM 0 HD13 ILE A 108 3.133 -5.318 -16.940 1.00 44.24 H new