USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 32 TYR OH : rot -38:sc= 0.531 USER MOD Set 1.2: A 73 SER OG : rot 65:sc= 0.786 USER MOD Set 2.1: A 41 MET CE :methyl 178:sc= -0.74 (180deg=-0.779) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 152:sc= 0.898 (180deg=-0.355!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0204 F(o=-1.6!,f=-0.02) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= -0.012 (180deg=-0.127) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0355) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 23 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.29) USER MOD Single : A 27 MET CE :methyl 165:sc= -1.61 (180deg=-1.96!) USER MOD Single : A 33 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.11) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= -0.327 (180deg=-0.632) USER MOD Single : A 39 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.1!) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= 0.557 (180deg=0.106) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0192 (180deg=-0.342) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0027) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0277) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00563 K(o=-0.0056,f=-0.98) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 1.2 (180deg=-0.361) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00235) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.743 -12.717 7.460 1.00 24.40 N ATOM 2 CA GLY A 1 -14.974 -13.132 6.261 1.00 32.31 C ATOM 3 C GLY A 1 -13.952 -14.212 6.591 1.00 22.24 C ATOM 4 O GLY A 1 -14.306 -15.230 7.207 1.00 33.24 O ATOM 0 H1 GLY A 1 -16.428 -11.981 7.195 1.00 24.40 H new ATOM 0 H2 GLY A 1 -16.250 -13.538 7.849 1.00 24.40 H new ATOM 0 H3 GLY A 1 -15.091 -12.341 8.178 1.00 24.40 H new ATOM 0 HA2 GLY A 1 -15.660 -13.501 5.499 1.00 32.31 H new ATOM 0 HA3 GLY A 1 -14.464 -12.266 5.838 1.00 32.31 H new ATOM 10 N GLY A 2 -12.686 -13.989 6.185 1.00 70.13 N ATOM 11 CA GLY A 2 -11.583 -14.915 6.468 1.00 52.33 C ATOM 12 C GLY A 2 -10.443 -14.755 5.476 1.00 24.44 C ATOM 13 O GLY A 2 -9.263 -14.811 5.854 1.00 71.44 O ATOM 0 H GLY A 2 -12.405 -13.164 5.654 1.00 70.13 H new ATOM 0 HA2 GLY A 2 -11.213 -14.741 7.478 1.00 52.33 H new ATOM 0 HA3 GLY A 2 -11.952 -15.940 6.436 1.00 52.33 H new ATOM 17 N SER A 3 -10.803 -14.589 4.193 1.00 13.40 N ATOM 18 CA SER A 3 -9.843 -14.405 3.097 1.00 71.31 C ATOM 19 C SER A 3 -9.272 -12.960 3.075 1.00 24.01 C ATOM 20 O SER A 3 -10.018 -11.997 3.312 1.00 52.41 O ATOM 21 CB SER A 3 -10.522 -14.730 1.742 1.00 13.44 C ATOM 22 OG SER A 3 -10.996 -16.068 1.702 1.00 1.31 O ATOM 0 H SER A 3 -11.776 -14.579 3.887 1.00 13.40 H new ATOM 0 HA SER A 3 -9.010 -15.089 3.260 1.00 71.31 H new ATOM 0 HB2 SER A 3 -11.353 -14.044 1.577 1.00 13.44 H new ATOM 0 HB3 SER A 3 -9.811 -14.571 0.931 1.00 13.44 H new ATOM 0 HG SER A 3 -11.420 -16.239 0.835 1.00 1.31 H new ATOM 28 N PRO A 4 -7.942 -12.788 2.782 1.00 35.12 N ATOM 29 CA PRO A 4 -7.300 -11.445 2.659 1.00 62.12 C ATOM 30 C PRO A 4 -7.964 -10.531 1.597 1.00 45.01 C ATOM 31 O PRO A 4 -8.003 -9.312 1.757 1.00 62.53 O ATOM 32 CB PRO A 4 -5.841 -11.786 2.284 1.00 73.30 C ATOM 33 CG PRO A 4 -5.635 -13.175 2.822 1.00 44.03 C ATOM 34 CD PRO A 4 -6.942 -13.880 2.585 1.00 70.15 C ATOM 0 HA PRO A 4 -7.394 -10.868 3.579 1.00 62.12 H new ATOM 0 HB2 PRO A 4 -5.689 -11.750 1.205 1.00 73.30 H new ATOM 0 HB3 PRO A 4 -5.140 -11.079 2.728 1.00 73.30 H new ATOM 0 HG2 PRO A 4 -4.816 -13.679 2.310 1.00 44.03 H new ATOM 0 HG3 PRO A 4 -5.384 -13.155 3.882 1.00 44.03 H new ATOM 0 HD2 PRO A 4 -6.998 -14.304 1.583 1.00 70.15 H new ATOM 0 HD3 PRO A 4 -7.093 -14.700 3.287 1.00 70.15 H new ATOM 42 N ASP A 5 -8.502 -11.158 0.528 1.00 32.04 N ATOM 43 CA ASP A 5 -9.206 -10.457 -0.577 1.00 33.32 C ATOM 44 C ASP A 5 -10.451 -9.684 -0.073 1.00 51.12 C ATOM 45 O ASP A 5 -10.778 -8.603 -0.585 1.00 23.10 O ATOM 46 CB ASP A 5 -9.587 -11.465 -1.696 1.00 73.31 C ATOM 47 CG ASP A 5 -10.327 -10.819 -2.893 1.00 51.32 C ATOM 48 OD1 ASP A 5 -9.797 -9.862 -3.489 1.00 24.21 O ATOM 49 OD2 ASP A 5 -11.444 -11.260 -3.241 1.00 51.02 O ATOM 0 H ASP A 5 -8.462 -12.170 0.403 1.00 32.04 H new ATOM 0 HA ASP A 5 -8.522 -9.717 -0.992 1.00 33.32 H new ATOM 0 HB2 ASP A 5 -8.681 -11.950 -2.060 1.00 73.31 H new ATOM 0 HB3 ASP A 5 -10.217 -12.246 -1.270 1.00 73.31 H new ATOM 54 N GLU A 6 -11.111 -10.239 0.957 1.00 71.33 N ATOM 55 CA GLU A 6 -12.277 -9.606 1.611 1.00 52.45 C ATOM 56 C GLU A 6 -11.840 -8.367 2.418 1.00 61.41 C ATOM 57 O GLU A 6 -12.510 -7.334 2.392 1.00 12.13 O ATOM 58 CB GLU A 6 -13.008 -10.641 2.510 1.00 65.33 C ATOM 59 CG GLU A 6 -13.517 -11.865 1.731 1.00 72.40 C ATOM 60 CD GLU A 6 -14.201 -12.920 2.605 1.00 22.51 C ATOM 61 OE1 GLU A 6 -13.492 -13.708 3.251 1.00 71.22 O ATOM 62 OE2 GLU A 6 -15.448 -12.965 2.654 1.00 13.53 O ATOM 0 H GLU A 6 -10.854 -11.139 1.362 1.00 71.33 H new ATOM 0 HA GLU A 6 -12.975 -9.269 0.845 1.00 52.45 H new ATOM 0 HB2 GLU A 6 -12.330 -10.974 3.295 1.00 65.33 H new ATOM 0 HB3 GLU A 6 -13.851 -10.155 3.002 1.00 65.33 H new ATOM 0 HG2 GLU A 6 -14.219 -11.530 0.967 1.00 72.40 H new ATOM 0 HG3 GLU A 6 -12.677 -12.327 1.212 1.00 72.40 H new ATOM 69 N ASN A 7 -10.677 -8.471 3.097 1.00 53.00 N ATOM 70 CA ASN A 7 -10.067 -7.335 3.833 1.00 54.10 C ATOM 71 C ASN A 7 -9.683 -6.199 2.860 1.00 45.03 C ATOM 72 O ASN A 7 -9.816 -5.020 3.190 1.00 42.25 O ATOM 73 CB ASN A 7 -8.817 -7.790 4.635 1.00 11.14 C ATOM 74 CG ASN A 7 -9.126 -8.858 5.684 1.00 42.12 C ATOM 75 OD1 ASN A 7 -9.093 -10.117 5.286 1.00 0.30 O flip ATOM 76 ND2 ASN A 7 -9.422 -8.552 6.841 1.00 22.32 N flip ATOM 0 H ASN A 7 -10.137 -9.334 3.152 1.00 53.00 H new ATOM 0 HA ASN A 7 -10.810 -6.962 4.538 1.00 54.10 H new ATOM 0 HB2 ASN A 7 -8.070 -8.177 3.942 1.00 11.14 H new ATOM 0 HB3 ASN A 7 -8.375 -6.924 5.128 1.00 11.14 H new ATOM 0 HD21 ASN A 7 -9.439 -7.571 7.121 1.00 22.32 H new ATOM 0 HD22 ASN A 7 -9.649 -9.280 7.519 1.00 22.32 H new ATOM 83 N ILE A 8 -9.222 -6.591 1.657 1.00 25.42 N ATOM 84 CA ILE A 8 -8.844 -5.664 0.569 1.00 22.30 C ATOM 85 C ILE A 8 -10.030 -4.795 0.140 1.00 71.13 C ATOM 86 O ILE A 8 -9.868 -3.598 -0.043 1.00 61.31 O ATOM 87 CB ILE A 8 -8.266 -6.457 -0.663 1.00 73.04 C ATOM 88 CG1 ILE A 8 -6.926 -7.118 -0.268 1.00 51.41 C ATOM 89 CG2 ILE A 8 -8.111 -5.579 -1.932 1.00 43.54 C ATOM 90 CD1 ILE A 8 -6.398 -8.135 -1.254 1.00 72.35 C ATOM 0 H ILE A 8 -9.099 -7.573 1.409 1.00 25.42 H new ATOM 0 HA ILE A 8 -8.066 -5.003 0.952 1.00 22.30 H new ATOM 0 HB ILE A 8 -8.988 -7.230 -0.927 1.00 73.04 H new ATOM 0 HG12 ILE A 8 -6.177 -6.337 -0.140 1.00 51.41 H new ATOM 0 HG13 ILE A 8 -7.049 -7.603 0.700 1.00 51.41 H new ATOM 0 HG21 ILE A 8 -7.709 -6.183 -2.745 1.00 43.54 H new ATOM 0 HG22 ILE A 8 -9.084 -5.183 -2.221 1.00 43.54 H new ATOM 0 HG23 ILE A 8 -7.431 -4.753 -1.722 1.00 43.54 H new ATOM 0 HD11 ILE A 8 -5.455 -8.541 -0.888 1.00 72.35 H new ATOM 0 HD12 ILE A 8 -7.122 -8.942 -1.367 1.00 72.35 H new ATOM 0 HD13 ILE A 8 -6.236 -7.656 -2.219 1.00 72.35 H new ATOM 102 N ALA A 9 -11.220 -5.415 0.007 1.00 25.42 N ATOM 103 CA ALA A 9 -12.468 -4.700 -0.342 1.00 5.33 C ATOM 104 C ALA A 9 -12.765 -3.577 0.671 1.00 54.30 C ATOM 105 O ALA A 9 -13.217 -2.489 0.294 1.00 41.11 O ATOM 106 CB ALA A 9 -13.648 -5.683 -0.437 1.00 61.20 C ATOM 0 H ALA A 9 -11.345 -6.419 0.137 1.00 25.42 H new ATOM 0 HA ALA A 9 -12.331 -4.238 -1.320 1.00 5.33 H new ATOM 0 HB1 ALA A 9 -14.556 -5.138 -0.694 1.00 61.20 H new ATOM 0 HB2 ALA A 9 -13.441 -6.427 -1.206 1.00 61.20 H new ATOM 0 HB3 ALA A 9 -13.784 -6.182 0.523 1.00 61.20 H new ATOM 112 N LYS A 10 -12.462 -3.851 1.953 1.00 61.13 N ATOM 113 CA LYS A 10 -12.607 -2.879 3.045 1.00 53.21 C ATOM 114 C LYS A 10 -11.569 -1.744 2.910 1.00 33.25 C ATOM 115 O LYS A 10 -11.892 -0.573 3.125 1.00 13.02 O ATOM 116 CB LYS A 10 -12.443 -3.586 4.419 1.00 52.13 C ATOM 117 CG LYS A 10 -12.564 -2.644 5.630 1.00 21.14 C ATOM 118 CD LYS A 10 -12.332 -3.346 6.977 1.00 1.43 C ATOM 119 CE LYS A 10 -12.419 -2.375 8.163 1.00 23.53 C ATOM 120 NZ LYS A 10 -13.741 -1.696 8.239 1.00 53.32 N ATOM 0 H LYS A 10 -12.108 -4.758 2.259 1.00 61.13 H new ATOM 0 HA LYS A 10 -13.605 -2.445 2.984 1.00 53.21 H new ATOM 0 HB2 LYS A 10 -13.197 -4.369 4.505 1.00 52.13 H new ATOM 0 HB3 LYS A 10 -11.470 -4.076 4.449 1.00 52.13 H new ATOM 0 HG2 LYS A 10 -11.844 -1.833 5.523 1.00 21.14 H new ATOM 0 HG3 LYS A 10 -13.556 -2.192 5.631 1.00 21.14 H new ATOM 0 HD2 LYS A 10 -13.071 -4.138 7.104 1.00 1.43 H new ATOM 0 HD3 LYS A 10 -11.352 -3.823 6.972 1.00 1.43 H new ATOM 0 HE2 LYS A 10 -12.239 -2.919 9.090 1.00 23.53 H new ATOM 0 HE3 LYS A 10 -11.632 -1.626 8.075 1.00 23.53 H new ATOM 0 HZ1 LYS A 10 -13.803 -1.156 9.126 1.00 53.32 H new ATOM 0 HZ2 LYS A 10 -13.846 -1.049 7.432 1.00 53.32 H new ATOM 0 HZ3 LYS A 10 -14.499 -2.408 8.213 1.00 53.32 H new ATOM 134 N PHE A 11 -10.319 -2.108 2.553 1.00 35.44 N ATOM 135 CA PHE A 11 -9.208 -1.139 2.414 1.00 62.45 C ATOM 136 C PHE A 11 -9.365 -0.277 1.146 1.00 75.44 C ATOM 137 O PHE A 11 -8.860 0.842 1.099 1.00 3.32 O ATOM 138 CB PHE A 11 -7.827 -1.854 2.419 1.00 25.05 C ATOM 139 CG PHE A 11 -7.540 -2.674 3.678 1.00 3.04 C ATOM 140 CD1 PHE A 11 -7.895 -2.194 4.945 1.00 44.33 C ATOM 141 CD2 PHE A 11 -6.928 -3.925 3.600 1.00 22.33 C ATOM 142 CE1 PHE A 11 -7.645 -2.941 6.079 1.00 65.34 C ATOM 143 CE2 PHE A 11 -6.682 -4.670 4.739 1.00 31.25 C ATOM 144 CZ PHE A 11 -7.040 -4.180 5.975 1.00 10.23 C ATOM 0 H PHE A 11 -10.052 -3.072 2.354 1.00 35.44 H new ATOM 0 HA PHE A 11 -9.251 -0.477 3.279 1.00 62.45 H new ATOM 0 HB2 PHE A 11 -7.770 -2.512 1.552 1.00 25.05 H new ATOM 0 HB3 PHE A 11 -7.044 -1.105 2.303 1.00 25.05 H new ATOM 0 HD1 PHE A 11 -8.370 -1.228 5.036 1.00 44.33 H new ATOM 0 HD2 PHE A 11 -6.642 -4.318 2.636 1.00 22.33 H new ATOM 0 HE1 PHE A 11 -7.923 -2.557 7.049 1.00 65.34 H new ATOM 0 HE2 PHE A 11 -6.208 -5.637 4.659 1.00 31.25 H new ATOM 0 HZ PHE A 11 -6.848 -4.763 6.863 1.00 10.23 H new ATOM 154 N GLU A 12 -10.049 -0.820 0.120 1.00 15.21 N ATOM 155 CA GLU A 12 -10.381 -0.079 -1.109 1.00 52.33 C ATOM 156 C GLU A 12 -11.529 0.897 -0.843 1.00 20.24 C ATOM 157 O GLU A 12 -11.577 1.976 -1.431 1.00 33.25 O ATOM 158 CB GLU A 12 -10.762 -1.022 -2.277 1.00 61.34 C ATOM 159 CG GLU A 12 -9.630 -1.943 -2.764 1.00 75.53 C ATOM 160 CD GLU A 12 -9.964 -2.627 -4.089 1.00 52.43 C ATOM 161 OE1 GLU A 12 -10.745 -3.600 -4.084 1.00 63.51 O ATOM 162 OE2 GLU A 12 -9.484 -2.159 -5.146 1.00 44.13 O ATOM 0 H GLU A 12 -10.386 -1.783 0.121 1.00 15.21 H new ATOM 0 HA GLU A 12 -9.487 0.471 -1.404 1.00 52.33 H new ATOM 0 HB2 GLU A 12 -11.604 -1.640 -1.965 1.00 61.34 H new ATOM 0 HB3 GLU A 12 -11.104 -0.417 -3.116 1.00 61.34 H new ATOM 0 HG2 GLU A 12 -8.716 -1.361 -2.879 1.00 75.53 H new ATOM 0 HG3 GLU A 12 -9.431 -2.701 -2.007 1.00 75.53 H new ATOM 169 N LYS A 13 -12.448 0.502 0.049 1.00 33.11 N ATOM 170 CA LYS A 13 -13.572 1.352 0.475 1.00 4.13 C ATOM 171 C LYS A 13 -13.045 2.502 1.359 1.00 3.05 C ATOM 172 O LYS A 13 -13.542 3.634 1.295 1.00 51.53 O ATOM 173 CB LYS A 13 -14.626 0.506 1.240 1.00 10.03 C ATOM 174 CG LYS A 13 -15.970 1.223 1.510 1.00 13.35 C ATOM 175 CD LYS A 13 -16.710 1.590 0.204 1.00 30.42 C ATOM 176 CE LYS A 13 -18.046 2.309 0.442 1.00 72.51 C ATOM 177 NZ LYS A 13 -18.744 2.602 -0.842 1.00 52.32 N ATOM 0 H LYS A 13 -12.434 -0.415 0.496 1.00 33.11 H new ATOM 0 HA LYS A 13 -14.055 1.779 -0.404 1.00 4.13 H new ATOM 0 HB2 LYS A 13 -14.824 -0.402 0.670 1.00 10.03 H new ATOM 0 HB3 LYS A 13 -14.199 0.197 2.194 1.00 10.03 H new ATOM 0 HG2 LYS A 13 -16.607 0.580 2.118 1.00 13.35 H new ATOM 0 HG3 LYS A 13 -15.787 2.129 2.088 1.00 13.35 H new ATOM 0 HD2 LYS A 13 -16.066 2.227 -0.403 1.00 30.42 H new ATOM 0 HD3 LYS A 13 -16.892 0.681 -0.370 1.00 30.42 H new ATOM 0 HE2 LYS A 13 -18.686 1.691 1.073 1.00 72.51 H new ATOM 0 HE3 LYS A 13 -17.869 3.239 0.982 1.00 72.51 H new ATOM 0 HZ1 LYS A 13 -19.642 3.088 -0.646 1.00 52.32 H new ATOM 0 HZ2 LYS A 13 -18.143 3.211 -1.433 1.00 52.32 H new ATOM 0 HZ3 LYS A 13 -18.934 1.712 -1.345 1.00 52.32 H new ATOM 191 N ALA A 14 -12.020 2.184 2.172 1.00 44.41 N ATOM 192 CA ALA A 14 -11.306 3.161 3.003 1.00 41.32 C ATOM 193 C ALA A 14 -10.415 4.065 2.132 1.00 12.54 C ATOM 194 O ALA A 14 -10.197 5.227 2.463 1.00 13.15 O ATOM 195 CB ALA A 14 -10.466 2.439 4.063 1.00 20.22 C ATOM 0 H ALA A 14 -11.664 1.233 2.268 1.00 44.41 H new ATOM 0 HA ALA A 14 -12.039 3.790 3.508 1.00 41.32 H new ATOM 0 HB1 ALA A 14 -9.941 3.174 4.673 1.00 20.22 H new ATOM 0 HB2 ALA A 14 -11.118 1.839 4.698 1.00 20.22 H new ATOM 0 HB3 ALA A 14 -9.741 1.790 3.572 1.00 20.22 H new ATOM 201 N TYR A 15 -9.909 3.496 1.019 1.00 31.34 N ATOM 202 CA TYR A 15 -9.099 4.204 0.005 1.00 72.00 C ATOM 203 C TYR A 15 -9.961 5.208 -0.776 1.00 44.41 C ATOM 204 O TYR A 15 -9.504 6.312 -1.107 1.00 70.13 O ATOM 205 CB TYR A 15 -8.483 3.157 -0.959 1.00 1.41 C ATOM 206 CG TYR A 15 -7.716 3.712 -2.151 1.00 55.14 C ATOM 207 CD1 TYR A 15 -6.557 4.455 -1.974 1.00 24.21 C ATOM 208 CD2 TYR A 15 -8.154 3.495 -3.457 1.00 21.42 C ATOM 209 CE1 TYR A 15 -5.863 4.956 -3.042 1.00 31.51 C ATOM 210 CE2 TYR A 15 -7.462 3.996 -4.533 1.00 23.41 C ATOM 211 CZ TYR A 15 -6.313 4.730 -4.325 1.00 65.35 C ATOM 212 OH TYR A 15 -5.611 5.244 -5.399 1.00 74.12 O ATOM 0 H TYR A 15 -10.055 2.512 0.795 1.00 31.34 H new ATOM 0 HA TYR A 15 -8.305 4.763 0.500 1.00 72.00 H new ATOM 0 HB2 TYR A 15 -7.811 2.518 -0.387 1.00 1.41 H new ATOM 0 HB3 TYR A 15 -9.286 2.522 -1.333 1.00 1.41 H new ATOM 0 HD1 TYR A 15 -6.196 4.642 -0.973 1.00 24.21 H new ATOM 0 HD2 TYR A 15 -9.054 2.922 -3.626 1.00 21.42 H new ATOM 0 HE1 TYR A 15 -4.962 5.529 -2.879 1.00 31.51 H new ATOM 0 HE2 TYR A 15 -7.816 3.816 -5.537 1.00 23.41 H new ATOM 0 HH TYR A 15 -6.060 4.994 -6.233 1.00 74.12 H new ATOM 222 N LYS A 16 -11.197 4.795 -1.079 1.00 4.30 N ATOM 223 CA LYS A 16 -12.184 5.635 -1.761 1.00 13.14 C ATOM 224 C LYS A 16 -12.601 6.803 -0.854 1.00 72.10 C ATOM 225 O LYS A 16 -12.623 7.947 -1.299 1.00 23.03 O ATOM 226 CB LYS A 16 -13.412 4.791 -2.177 1.00 74.13 C ATOM 227 CG LYS A 16 -13.180 3.851 -3.387 1.00 10.12 C ATOM 228 CD LYS A 16 -12.999 4.612 -4.713 1.00 52.21 C ATOM 229 CE LYS A 16 -12.879 3.677 -5.927 1.00 10.30 C ATOM 230 NZ LYS A 16 -11.736 2.731 -5.799 1.00 31.02 N ATOM 0 H LYS A 16 -11.541 3.861 -0.855 1.00 4.30 H new ATOM 0 HA LYS A 16 -11.735 6.047 -2.665 1.00 13.14 H new ATOM 0 HB2 LYS A 16 -13.727 4.190 -1.324 1.00 74.13 H new ATOM 0 HB3 LYS A 16 -14.235 5.466 -2.413 1.00 74.13 H new ATOM 0 HG2 LYS A 16 -12.297 3.240 -3.201 1.00 10.12 H new ATOM 0 HG3 LYS A 16 -14.026 3.169 -3.478 1.00 10.12 H new ATOM 0 HD2 LYS A 16 -13.845 5.283 -4.860 1.00 52.21 H new ATOM 0 HD3 LYS A 16 -12.106 5.234 -4.650 1.00 52.21 H new ATOM 0 HE2 LYS A 16 -13.804 3.112 -6.041 1.00 10.30 H new ATOM 0 HE3 LYS A 16 -12.755 4.273 -6.831 1.00 10.30 H new ATOM 0 HZ1 LYS A 16 -11.653 2.167 -6.669 1.00 31.02 H new ATOM 0 HZ2 LYS A 16 -10.857 3.267 -5.648 1.00 31.02 H new ATOM 0 HZ3 LYS A 16 -11.898 2.098 -4.990 1.00 31.02 H new ATOM 244 N LYS A 17 -12.888 6.483 0.426 1.00 72.33 N ATOM 245 CA LYS A 17 -13.235 7.481 1.456 1.00 34.22 C ATOM 246 C LYS A 17 -12.080 8.486 1.620 1.00 33.21 C ATOM 247 O LYS A 17 -12.300 9.693 1.634 1.00 14.44 O ATOM 248 CB LYS A 17 -13.539 6.776 2.810 1.00 32.34 C ATOM 249 CG LYS A 17 -14.011 7.710 3.950 1.00 61.11 C ATOM 250 CD LYS A 17 -15.365 8.390 3.647 1.00 73.21 C ATOM 251 CE LYS A 17 -15.832 9.300 4.794 1.00 14.12 C ATOM 252 NZ LYS A 17 -17.129 9.982 4.494 1.00 61.12 N ATOM 0 H LYS A 17 -12.885 5.524 0.773 1.00 72.33 H new ATOM 0 HA LYS A 17 -14.129 8.020 1.141 1.00 34.22 H new ATOM 0 HB2 LYS A 17 -14.305 6.018 2.643 1.00 32.34 H new ATOM 0 HB3 LYS A 17 -12.640 6.254 3.139 1.00 32.34 H new ATOM 0 HG2 LYS A 17 -14.097 7.135 4.872 1.00 61.11 H new ATOM 0 HG3 LYS A 17 -13.255 8.477 4.122 1.00 61.11 H new ATOM 0 HD2 LYS A 17 -15.277 8.978 2.733 1.00 73.21 H new ATOM 0 HD3 LYS A 17 -16.120 7.625 3.463 1.00 73.21 H new ATOM 0 HE2 LYS A 17 -15.939 8.708 5.703 1.00 14.12 H new ATOM 0 HE3 LYS A 17 -15.067 10.051 4.991 1.00 14.12 H new ATOM 0 HZ1 LYS A 17 -17.399 10.583 5.298 1.00 61.12 H new ATOM 0 HZ2 LYS A 17 -17.023 10.570 3.643 1.00 61.12 H new ATOM 0 HZ3 LYS A 17 -17.867 9.268 4.332 1.00 61.12 H new ATOM 266 N ALA A 18 -10.853 7.945 1.679 1.00 63.32 N ATOM 267 CA ALA A 18 -9.603 8.714 1.776 1.00 64.10 C ATOM 268 C ALA A 18 -9.472 9.747 0.627 1.00 52.43 C ATOM 269 O ALA A 18 -9.104 10.902 0.851 1.00 54.05 O ATOM 270 CB ALA A 18 -8.436 7.740 1.724 1.00 54.31 C ATOM 0 H ALA A 18 -10.699 6.937 1.660 1.00 63.32 H new ATOM 0 HA ALA A 18 -9.605 9.269 2.714 1.00 64.10 H new ATOM 0 HB1 ALA A 18 -7.498 8.291 1.795 1.00 54.31 H new ATOM 0 HB2 ALA A 18 -8.509 7.040 2.556 1.00 54.31 H new ATOM 0 HB3 ALA A 18 -8.463 7.189 0.784 1.00 54.31 H new ATOM 276 N GLU A 19 -9.796 9.279 -0.603 1.00 64.14 N ATOM 277 CA GLU A 19 -9.711 10.076 -1.849 1.00 62.23 C ATOM 278 C GLU A 19 -10.763 11.203 -1.831 1.00 41.23 C ATOM 279 O GLU A 19 -10.473 12.340 -2.220 1.00 21.22 O ATOM 280 CB GLU A 19 -9.892 9.127 -3.081 1.00 61.13 C ATOM 281 CG GLU A 19 -9.472 9.691 -4.473 1.00 60.34 C ATOM 282 CD GLU A 19 -10.476 10.671 -5.123 1.00 64.32 C ATOM 283 OE1 GLU A 19 -11.564 10.223 -5.545 1.00 74.40 O ATOM 284 OE2 GLU A 19 -10.187 11.879 -5.224 1.00 42.25 O ATOM 0 H GLU A 19 -10.127 8.327 -0.758 1.00 64.14 H new ATOM 0 HA GLU A 19 -8.732 10.549 -1.924 1.00 62.23 H new ATOM 0 HB2 GLU A 19 -9.319 8.218 -2.896 1.00 61.13 H new ATOM 0 HB3 GLU A 19 -10.941 8.837 -3.135 1.00 61.13 H new ATOM 0 HG2 GLU A 19 -8.513 10.198 -4.366 1.00 60.34 H new ATOM 0 HG3 GLU A 19 -9.316 8.854 -5.153 1.00 60.34 H new ATOM 291 N GLU A 20 -11.971 10.874 -1.332 1.00 44.41 N ATOM 292 CA GLU A 20 -13.089 11.833 -1.192 1.00 33.22 C ATOM 293 C GLU A 20 -12.742 12.941 -0.181 1.00 4.32 C ATOM 294 O GLU A 20 -13.144 14.098 -0.354 1.00 43.32 O ATOM 295 CB GLU A 20 -14.382 11.098 -0.753 1.00 40.22 C ATOM 296 CG GLU A 20 -14.901 10.052 -1.759 1.00 22.21 C ATOM 297 CD GLU A 20 -16.158 9.307 -1.282 1.00 1.02 C ATOM 298 OE1 GLU A 20 -16.170 8.827 -0.129 1.00 1.12 O ATOM 299 OE2 GLU A 20 -17.136 9.199 -2.053 1.00 2.11 O ATOM 0 H GLU A 20 -12.201 9.933 -1.013 1.00 44.41 H new ATOM 0 HA GLU A 20 -13.258 12.296 -2.164 1.00 33.22 H new ATOM 0 HB2 GLU A 20 -14.197 10.604 0.201 1.00 40.22 H new ATOM 0 HB3 GLU A 20 -15.164 11.838 -0.583 1.00 40.22 H new ATOM 0 HG2 GLU A 20 -15.120 10.548 -2.705 1.00 22.21 H new ATOM 0 HG3 GLU A 20 -14.112 9.326 -1.955 1.00 22.21 H new ATOM 306 N LEU A 21 -11.984 12.564 0.864 1.00 11.01 N ATOM 307 CA LEU A 21 -11.526 13.492 1.916 1.00 73.32 C ATOM 308 C LEU A 21 -10.286 14.300 1.452 1.00 21.33 C ATOM 309 O LEU A 21 -9.890 15.265 2.121 1.00 55.35 O ATOM 310 CB LEU A 21 -11.205 12.705 3.229 1.00 72.53 C ATOM 311 CG LEU A 21 -12.372 11.878 3.856 1.00 30.11 C ATOM 312 CD1 LEU A 21 -11.927 11.165 5.149 1.00 25.41 C ATOM 313 CD2 LEU A 21 -13.626 12.741 4.080 1.00 70.23 C ATOM 0 H LEU A 21 -11.670 11.604 1.004 1.00 11.01 H new ATOM 0 HA LEU A 21 -12.330 14.200 2.116 1.00 73.32 H new ATOM 0 HB2 LEU A 21 -10.378 12.025 3.024 1.00 72.53 H new ATOM 0 HB3 LEU A 21 -10.854 13.418 3.975 1.00 72.53 H new ATOM 0 HG LEU A 21 -12.644 11.104 3.138 1.00 30.11 H new ATOM 0 HD11 LEU A 21 -12.764 10.599 5.559 1.00 25.41 H new ATOM 0 HD12 LEU A 21 -11.104 10.486 4.925 1.00 25.41 H new ATOM 0 HD13 LEU A 21 -11.598 11.906 5.878 1.00 25.41 H new ATOM 0 HD21 LEU A 21 -14.415 12.129 4.517 1.00 70.23 H new ATOM 0 HD22 LEU A 21 -13.387 13.562 4.756 1.00 70.23 H new ATOM 0 HD23 LEU A 21 -13.966 13.144 3.126 1.00 70.23 H new ATOM 325 N ASN A 22 -9.685 13.874 0.314 1.00 14.31 N ATOM 326 CA ASN A 22 -8.476 14.497 -0.292 1.00 74.42 C ATOM 327 C ASN A 22 -7.261 14.346 0.663 1.00 74.14 C ATOM 328 O ASN A 22 -6.330 15.159 0.650 1.00 11.25 O ATOM 329 CB ASN A 22 -8.746 15.994 -0.687 1.00 44.21 C ATOM 330 CG ASN A 22 -7.839 16.545 -1.806 1.00 71.43 C ATOM 331 OD1 ASN A 22 -6.716 16.082 -2.023 1.00 2.20 O ATOM 332 ND2 ASN A 22 -8.328 17.556 -2.514 1.00 1.14 N ATOM 0 H ASN A 22 -10.030 13.076 -0.219 1.00 14.31 H new ATOM 0 HA ASN A 22 -8.234 13.973 -1.217 1.00 74.42 H new ATOM 0 HB2 ASN A 22 -9.785 16.090 -1.002 1.00 44.21 H new ATOM 0 HB3 ASN A 22 -8.623 16.616 0.200 1.00 44.21 H new ATOM 0 HD21 ASN A 22 -7.772 17.972 -3.261 1.00 1.14 H new ATOM 0 HD22 ASN A 22 -9.260 17.917 -2.311 1.00 1.14 H new ATOM 339 N GLN A 23 -7.283 13.261 1.461 1.00 1.12 N ATOM 340 CA GLN A 23 -6.250 12.949 2.464 1.00 12.02 C ATOM 341 C GLN A 23 -5.382 11.804 1.935 1.00 0.35 C ATOM 342 O GLN A 23 -5.738 10.622 2.065 1.00 1.21 O ATOM 343 CB GLN A 23 -6.905 12.607 3.835 1.00 11.22 C ATOM 344 CG GLN A 23 -7.725 13.769 4.446 1.00 1.33 C ATOM 345 CD GLN A 23 -8.389 13.437 5.788 1.00 22.44 C ATOM 346 OE1 GLN A 23 -7.877 12.648 6.581 1.00 52.33 O ATOM 347 NE2 GLN A 23 -9.545 14.038 6.053 1.00 41.03 N ATOM 0 H GLN A 23 -8.030 12.568 1.425 1.00 1.12 H new ATOM 0 HA GLN A 23 -5.613 13.817 2.632 1.00 12.02 H new ATOM 0 HB2 GLN A 23 -7.557 11.742 3.710 1.00 11.22 H new ATOM 0 HB3 GLN A 23 -6.124 12.318 4.538 1.00 11.22 H new ATOM 0 HG2 GLN A 23 -7.069 14.629 4.582 1.00 1.33 H new ATOM 0 HG3 GLN A 23 -8.497 14.066 3.736 1.00 1.33 H new ATOM 0 HE21 GLN A 23 -9.948 14.688 5.378 1.00 41.03 H new ATOM 0 HE22 GLN A 23 -10.029 13.849 6.931 1.00 41.03 H new ATOM 356 N GLY A 24 -4.264 12.192 1.293 1.00 71.40 N ATOM 357 CA GLY A 24 -3.375 11.263 0.615 1.00 2.04 C ATOM 358 C GLY A 24 -2.717 10.247 1.547 1.00 44.40 C ATOM 359 O GLY A 24 -2.495 9.100 1.149 1.00 10.02 O ATOM 0 H GLY A 24 -3.961 13.164 1.237 1.00 71.40 H new ATOM 0 HA2 GLY A 24 -3.938 10.729 -0.150 1.00 2.04 H new ATOM 0 HA3 GLY A 24 -2.597 11.828 0.102 1.00 2.04 H new ATOM 363 N GLU A 25 -2.415 10.670 2.793 1.00 71.13 N ATOM 364 CA GLU A 25 -1.772 9.807 3.805 1.00 40.13 C ATOM 365 C GLU A 25 -2.623 8.547 4.073 1.00 14.54 C ATOM 366 O GLU A 25 -2.082 7.479 4.318 1.00 52.43 O ATOM 367 CB GLU A 25 -1.521 10.588 5.121 1.00 43.04 C ATOM 368 CG GLU A 25 -2.778 11.230 5.743 1.00 12.14 C ATOM 369 CD GLU A 25 -2.561 11.671 7.197 1.00 73.54 C ATOM 370 OE1 GLU A 25 -2.065 12.792 7.429 1.00 12.34 O ATOM 371 OE2 GLU A 25 -2.871 10.884 8.115 1.00 44.24 O ATOM 0 H GLU A 25 -2.609 11.615 3.124 1.00 71.13 H new ATOM 0 HA GLU A 25 -0.807 9.489 3.410 1.00 40.13 H new ATOM 0 HB2 GLU A 25 -1.078 9.910 5.850 1.00 43.04 H new ATOM 0 HB3 GLU A 25 -0.788 11.371 4.928 1.00 43.04 H new ATOM 0 HG2 GLU A 25 -3.073 12.093 5.146 1.00 12.14 H new ATOM 0 HG3 GLU A 25 -3.602 10.518 5.703 1.00 12.14 H new ATOM 378 N LEU A 26 -3.956 8.709 3.989 1.00 65.11 N ATOM 379 CA LEU A 26 -4.922 7.611 4.132 1.00 33.20 C ATOM 380 C LEU A 26 -4.942 6.720 2.868 1.00 61.24 C ATOM 381 O LEU A 26 -5.090 5.500 2.970 1.00 11.24 O ATOM 382 CB LEU A 26 -6.343 8.181 4.396 1.00 4.15 C ATOM 383 CG LEU A 26 -6.595 8.882 5.759 1.00 12.43 C ATOM 384 CD1 LEU A 26 -8.018 9.475 5.811 1.00 62.53 C ATOM 385 CD2 LEU A 26 -6.370 7.902 6.912 1.00 72.14 C ATOM 0 H LEU A 26 -4.394 9.614 3.818 1.00 65.11 H new ATOM 0 HA LEU A 26 -4.614 6.999 4.980 1.00 33.20 H new ATOM 0 HB2 LEU A 26 -6.571 8.894 3.604 1.00 4.15 H new ATOM 0 HB3 LEU A 26 -7.056 7.362 4.303 1.00 4.15 H new ATOM 0 HG LEU A 26 -5.884 9.702 5.863 1.00 12.43 H new ATOM 0 HD11 LEU A 26 -8.174 9.962 6.774 1.00 62.53 H new ATOM 0 HD12 LEU A 26 -8.137 10.206 5.011 1.00 62.53 H new ATOM 0 HD13 LEU A 26 -8.750 8.677 5.685 1.00 62.53 H new ATOM 0 HD21 LEU A 26 -6.550 8.408 7.860 1.00 72.14 H new ATOM 0 HD22 LEU A 26 -7.056 7.061 6.814 1.00 72.14 H new ATOM 0 HD23 LEU A 26 -5.343 7.538 6.885 1.00 72.14 H new ATOM 397 N MET A 27 -4.806 7.357 1.679 1.00 71.12 N ATOM 398 CA MET A 27 -4.883 6.664 0.375 1.00 22.24 C ATOM 399 C MET A 27 -3.698 5.706 0.192 1.00 43.14 C ATOM 400 O MET A 27 -3.882 4.515 -0.078 1.00 65.50 O ATOM 401 CB MET A 27 -4.925 7.671 -0.813 1.00 11.23 C ATOM 402 CG MET A 27 -6.158 8.581 -0.863 1.00 62.13 C ATOM 403 SD MET A 27 -6.382 9.379 -2.467 1.00 72.22 S ATOM 404 CE MET A 27 -4.792 10.150 -2.706 1.00 21.33 C ATOM 0 H MET A 27 -4.641 8.360 1.600 1.00 71.12 H new ATOM 0 HA MET A 27 -5.811 6.093 0.375 1.00 22.24 H new ATOM 0 HB2 MET A 27 -4.034 8.297 -0.767 1.00 11.23 H new ATOM 0 HB3 MET A 27 -4.872 7.109 -1.745 1.00 11.23 H new ATOM 0 HG2 MET A 27 -7.046 7.994 -0.629 1.00 62.13 H new ATOM 0 HG3 MET A 27 -6.069 9.346 -0.092 1.00 62.13 H new ATOM 0 HE1 MET A 27 -4.685 10.448 -3.749 1.00 21.33 H new ATOM 0 HE2 MET A 27 -4.715 11.030 -2.067 1.00 21.33 H new ATOM 0 HE3 MET A 27 -4.003 9.444 -2.448 1.00 21.33 H new ATOM 414 N GLY A 28 -2.483 6.259 0.332 1.00 42.21 N ATOM 415 CA GLY A 28 -1.259 5.477 0.246 1.00 12.11 C ATOM 416 C GLY A 28 -1.196 4.387 1.304 1.00 41.31 C ATOM 417 O GLY A 28 -0.742 3.278 1.039 1.00 62.25 O ATOM 0 H GLY A 28 -2.331 7.252 0.506 1.00 42.21 H new ATOM 0 HA2 GLY A 28 -1.188 5.025 -0.743 1.00 12.11 H new ATOM 0 HA3 GLY A 28 -0.399 6.138 0.357 1.00 12.11 H new ATOM 421 N ARG A 29 -1.685 4.715 2.511 1.00 2.42 N ATOM 422 CA ARG A 29 -1.736 3.775 3.648 1.00 4.41 C ATOM 423 C ARG A 29 -2.665 2.593 3.322 1.00 32.21 C ATOM 424 O ARG A 29 -2.358 1.452 3.650 1.00 14.43 O ATOM 425 CB ARG A 29 -2.221 4.518 4.912 1.00 12.33 C ATOM 426 CG ARG A 29 -2.119 3.735 6.226 1.00 61.12 C ATOM 427 CD ARG A 29 -2.803 4.465 7.401 1.00 23.05 C ATOM 428 NE ARG A 29 -2.706 3.704 8.661 1.00 52.12 N ATOM 429 CZ ARG A 29 -2.832 4.234 9.895 1.00 0.01 C ATOM 430 NH1 ARG A 29 -3.060 5.535 10.075 1.00 4.31 N ATOM 431 NH2 ARG A 29 -2.731 3.441 10.963 1.00 32.22 N ATOM 0 H ARG A 29 -2.057 5.640 2.728 1.00 2.42 H new ATOM 0 HA ARG A 29 -0.737 3.380 3.833 1.00 4.41 H new ATOM 0 HB2 ARG A 29 -1.645 5.438 5.013 1.00 12.33 H new ATOM 0 HB3 ARG A 29 -3.261 4.808 4.763 1.00 12.33 H new ATOM 0 HG2 ARG A 29 -2.575 2.753 6.097 1.00 61.12 H new ATOM 0 HG3 ARG A 29 -1.069 3.570 6.467 1.00 61.12 H new ATOM 0 HD2 ARG A 29 -2.345 5.445 7.534 1.00 23.05 H new ATOM 0 HD3 ARG A 29 -3.853 4.634 7.160 1.00 23.05 H new ATOM 0 HE ARG A 29 -2.530 2.701 8.594 1.00 52.12 H new ATOM 0 HH11 ARG A 29 -3.143 6.154 9.269 1.00 4.31 H new ATOM 0 HH12 ARG A 29 -3.151 5.911 11.019 1.00 4.31 H new ATOM 0 HH21 ARG A 29 -2.560 2.443 10.843 1.00 32.22 H new ATOM 0 HH22 ARG A 29 -2.825 3.833 11.900 1.00 32.22 H new ATOM 445 N ALA A 30 -3.784 2.903 2.637 1.00 21.15 N ATOM 446 CA ALA A 30 -4.795 1.915 2.237 1.00 10.23 C ATOM 447 C ALA A 30 -4.208 0.906 1.242 1.00 55.43 C ATOM 448 O ALA A 30 -4.409 -0.298 1.385 1.00 11.44 O ATOM 449 CB ALA A 30 -6.009 2.626 1.633 1.00 24.15 C ATOM 0 H ALA A 30 -4.009 3.854 2.346 1.00 21.15 H new ATOM 0 HA ALA A 30 -5.114 1.365 3.122 1.00 10.23 H new ATOM 0 HB1 ALA A 30 -6.754 1.887 1.339 1.00 24.15 H new ATOM 0 HB2 ALA A 30 -6.440 3.302 2.372 1.00 24.15 H new ATOM 0 HB3 ALA A 30 -5.698 3.196 0.758 1.00 24.15 H new ATOM 455 N LEU A 31 -3.466 1.434 0.246 1.00 63.52 N ATOM 456 CA LEU A 31 -2.768 0.625 -0.771 1.00 41.00 C ATOM 457 C LEU A 31 -1.678 -0.241 -0.124 1.00 3.34 C ATOM 458 O LEU A 31 -1.469 -1.386 -0.521 1.00 33.33 O ATOM 459 CB LEU A 31 -2.151 1.548 -1.851 1.00 21.31 C ATOM 460 CG LEU A 31 -3.169 2.396 -2.662 1.00 4.20 C ATOM 461 CD1 LEU A 31 -2.459 3.371 -3.612 1.00 41.04 C ATOM 462 CD2 LEU A 31 -4.158 1.491 -3.414 1.00 35.14 C ATOM 0 H LEU A 31 -3.335 2.438 0.126 1.00 63.52 H new ATOM 0 HA LEU A 31 -3.493 -0.038 -1.243 1.00 41.00 H new ATOM 0 HB2 LEU A 31 -1.445 2.223 -1.368 1.00 21.31 H new ATOM 0 HB3 LEU A 31 -1.580 0.934 -2.547 1.00 21.31 H new ATOM 0 HG LEU A 31 -3.741 2.998 -1.956 1.00 4.20 H new ATOM 0 HD11 LEU A 31 -3.202 3.948 -4.163 1.00 41.04 H new ATOM 0 HD12 LEU A 31 -1.829 4.048 -3.035 1.00 41.04 H new ATOM 0 HD13 LEU A 31 -1.841 2.810 -4.314 1.00 41.04 H new ATOM 0 HD21 LEU A 31 -4.861 2.107 -3.975 1.00 35.14 H new ATOM 0 HD22 LEU A 31 -3.611 0.847 -4.102 1.00 35.14 H new ATOM 0 HD23 LEU A 31 -4.705 0.876 -2.699 1.00 35.14 H new ATOM 474 N TYR A 32 -1.009 0.330 0.889 1.00 12.42 N ATOM 475 CA TYR A 32 0.020 -0.362 1.678 1.00 23.25 C ATOM 476 C TYR A 32 -0.608 -1.565 2.425 1.00 31.03 C ATOM 477 O TYR A 32 -0.019 -2.644 2.455 1.00 14.41 O ATOM 478 CB TYR A 32 0.696 0.644 2.655 1.00 15.22 C ATOM 479 CG TYR A 32 1.830 0.067 3.514 1.00 63.03 C ATOM 480 CD1 TYR A 32 3.114 -0.108 2.998 1.00 2.11 C ATOM 481 CD2 TYR A 32 1.617 -0.298 4.845 1.00 12.34 C ATOM 482 CE1 TYR A 32 4.134 -0.627 3.776 1.00 75.54 C ATOM 483 CE2 TYR A 32 2.638 -0.813 5.620 1.00 1.44 C ATOM 484 CZ TYR A 32 3.889 -0.978 5.082 1.00 51.33 C ATOM 485 OH TYR A 32 4.905 -1.489 5.861 1.00 62.34 O ATOM 0 H TYR A 32 -1.169 1.293 1.186 1.00 12.42 H new ATOM 0 HA TYR A 32 0.794 -0.754 1.018 1.00 23.25 H new ATOM 0 HB2 TYR A 32 1.091 1.478 2.075 1.00 15.22 H new ATOM 0 HB3 TYR A 32 -0.068 1.050 3.318 1.00 15.22 H new ATOM 0 HD1 TYR A 32 3.316 0.166 1.973 1.00 2.11 H new ATOM 0 HD2 TYR A 32 0.635 -0.175 5.277 1.00 12.34 H new ATOM 0 HE1 TYR A 32 5.121 -0.756 3.357 1.00 75.54 H new ATOM 0 HE2 TYR A 32 2.452 -1.085 6.648 1.00 1.44 H new ATOM 0 HH TYR A 32 5.469 -2.078 5.318 1.00 62.34 H new ATOM 495 N ASN A 33 -1.835 -1.372 2.972 1.00 55.02 N ATOM 496 CA ASN A 33 -2.599 -2.447 3.657 1.00 2.33 C ATOM 497 C ASN A 33 -2.968 -3.579 2.677 1.00 5.23 C ATOM 498 O ASN A 33 -2.840 -4.758 3.010 1.00 22.34 O ATOM 499 CB ASN A 33 -3.890 -1.903 4.341 1.00 12.01 C ATOM 500 CG ASN A 33 -3.646 -1.117 5.634 1.00 53.30 C ATOM 501 OD1 ASN A 33 -3.401 -1.704 6.691 1.00 73.12 O ATOM 502 ND2 ASN A 33 -3.753 0.200 5.585 1.00 30.23 N ATOM 0 H ASN A 33 -2.320 -0.475 2.951 1.00 55.02 H new ATOM 0 HA ASN A 33 -1.946 -2.846 4.433 1.00 2.33 H new ATOM 0 HB2 ASN A 33 -4.416 -1.260 3.635 1.00 12.01 H new ATOM 0 HB3 ASN A 33 -4.550 -2.742 4.561 1.00 12.01 H new ATOM 0 HD21 ASN A 33 -3.632 0.753 6.433 1.00 30.23 H new ATOM 0 HD22 ASN A 33 -3.956 0.663 4.699 1.00 30.23 H new ATOM 509 N ILE A 34 -3.426 -3.186 1.469 1.00 50.53 N ATOM 510 CA ILE A 34 -3.791 -4.131 0.389 1.00 50.41 C ATOM 511 C ILE A 34 -2.555 -4.941 -0.053 1.00 52.23 C ATOM 512 O ILE A 34 -2.651 -6.140 -0.348 1.00 43.10 O ATOM 513 CB ILE A 34 -4.404 -3.371 -0.854 1.00 21.24 C ATOM 514 CG1 ILE A 34 -5.679 -2.572 -0.446 1.00 42.34 C ATOM 515 CG2 ILE A 34 -4.710 -4.337 -2.020 1.00 23.30 C ATOM 516 CD1 ILE A 34 -6.201 -1.621 -1.512 1.00 14.44 C ATOM 0 H ILE A 34 -3.553 -2.207 1.214 1.00 50.53 H new ATOM 0 HA ILE A 34 -4.547 -4.811 0.782 1.00 50.41 H new ATOM 0 HB ILE A 34 -3.654 -2.662 -1.204 1.00 21.24 H new ATOM 0 HG12 ILE A 34 -6.468 -3.279 -0.191 1.00 42.34 H new ATOM 0 HG13 ILE A 34 -5.460 -2.000 0.456 1.00 42.34 H new ATOM 0 HG21 ILE A 34 -5.130 -3.777 -2.856 1.00 23.30 H new ATOM 0 HG22 ILE A 34 -3.790 -4.827 -2.338 1.00 23.30 H new ATOM 0 HG23 ILE A 34 -5.427 -5.089 -1.691 1.00 23.30 H new ATOM 0 HD11 ILE A 34 -7.089 -1.109 -1.140 1.00 14.44 H new ATOM 0 HD12 ILE A 34 -5.432 -0.886 -1.752 1.00 14.44 H new ATOM 0 HD13 ILE A 34 -6.457 -2.185 -2.409 1.00 14.44 H new ATOM 528 N GLY A 35 -1.401 -4.254 -0.089 1.00 24.51 N ATOM 529 CA GLY A 35 -0.126 -4.867 -0.424 1.00 54.25 C ATOM 530 C GLY A 35 0.272 -5.949 0.569 1.00 1.22 C ATOM 531 O GLY A 35 0.851 -6.965 0.187 1.00 42.33 O ATOM 0 H GLY A 35 -1.337 -3.257 0.115 1.00 24.51 H new ATOM 0 HA2 GLY A 35 -0.184 -5.298 -1.424 1.00 54.25 H new ATOM 0 HA3 GLY A 35 0.648 -4.100 -0.452 1.00 54.25 H new ATOM 535 N LEU A 36 -0.043 -5.711 1.857 1.00 64.44 N ATOM 536 CA LEU A 36 0.215 -6.668 2.952 1.00 21.52 C ATOM 537 C LEU A 36 -0.700 -7.906 2.828 1.00 64.21 C ATOM 538 O LEU A 36 -0.295 -9.022 3.184 1.00 32.03 O ATOM 539 CB LEU A 36 0.034 -5.964 4.332 1.00 73.44 C ATOM 540 CG LEU A 36 0.995 -4.767 4.620 1.00 32.51 C ATOM 541 CD1 LEU A 36 0.657 -4.070 5.951 1.00 61.22 C ATOM 542 CD2 LEU A 36 2.473 -5.203 4.573 1.00 54.25 C ATOM 0 H LEU A 36 -0.485 -4.846 2.169 1.00 64.44 H new ATOM 0 HA LEU A 36 1.246 -7.015 2.878 1.00 21.52 H new ATOM 0 HB2 LEU A 36 -0.993 -5.605 4.403 1.00 73.44 H new ATOM 0 HB3 LEU A 36 0.167 -6.708 5.117 1.00 73.44 H new ATOM 0 HG LEU A 36 0.843 -4.037 3.825 1.00 32.51 H new ATOM 0 HD11 LEU A 36 1.348 -3.243 6.115 1.00 61.22 H new ATOM 0 HD12 LEU A 36 -0.363 -3.688 5.913 1.00 61.22 H new ATOM 0 HD13 LEU A 36 0.746 -4.785 6.769 1.00 61.22 H new ATOM 0 HD21 LEU A 36 3.112 -4.344 4.778 1.00 54.25 H new ATOM 0 HD22 LEU A 36 2.649 -5.974 5.323 1.00 54.25 H new ATOM 0 HD23 LEU A 36 2.704 -5.600 3.584 1.00 54.25 H new ATOM 554 N GLU A 37 -1.925 -7.695 2.311 1.00 30.34 N ATOM 555 CA GLU A 37 -2.896 -8.785 2.081 1.00 64.42 C ATOM 556 C GLU A 37 -2.469 -9.659 0.881 1.00 44.34 C ATOM 557 O GLU A 37 -2.659 -10.878 0.882 1.00 12.51 O ATOM 558 CB GLU A 37 -4.321 -8.233 1.849 1.00 52.14 C ATOM 559 CG GLU A 37 -4.869 -7.325 2.963 1.00 75.24 C ATOM 560 CD GLU A 37 -4.818 -7.953 4.369 1.00 41.14 C ATOM 561 OE1 GLU A 37 -5.572 -8.917 4.634 1.00 23.33 O ATOM 562 OE2 GLU A 37 -4.013 -7.499 5.209 1.00 62.14 O ATOM 0 H GLU A 37 -2.269 -6.773 2.042 1.00 30.34 H new ATOM 0 HA GLU A 37 -2.909 -9.401 2.980 1.00 64.42 H new ATOM 0 HB2 GLU A 37 -4.327 -7.675 0.913 1.00 52.14 H new ATOM 0 HB3 GLU A 37 -5.002 -9.075 1.723 1.00 52.14 H new ATOM 0 HG2 GLU A 37 -4.301 -6.395 2.971 1.00 75.24 H new ATOM 0 HG3 GLU A 37 -5.902 -7.065 2.730 1.00 75.24 H new ATOM 569 N LYS A 38 -1.907 -9.013 -0.154 1.00 41.30 N ATOM 570 CA LYS A 38 -1.311 -9.702 -1.318 1.00 12.43 C ATOM 571 C LYS A 38 -0.059 -10.489 -0.878 1.00 63.22 C ATOM 572 O LYS A 38 0.166 -11.616 -1.323 1.00 65.14 O ATOM 573 CB LYS A 38 -0.955 -8.674 -2.434 1.00 13.54 C ATOM 574 CG LYS A 38 -2.016 -8.482 -3.536 1.00 2.21 C ATOM 575 CD LYS A 38 -3.372 -7.973 -3.043 1.00 24.33 C ATOM 576 CE LYS A 38 -4.365 -7.724 -4.201 1.00 23.03 C ATOM 577 NZ LYS A 38 -4.626 -8.944 -5.022 1.00 11.14 N ATOM 0 H LYS A 38 -1.851 -7.996 -0.210 1.00 41.30 H new ATOM 0 HA LYS A 38 -2.038 -10.405 -1.725 1.00 12.43 H new ATOM 0 HB2 LYS A 38 -0.767 -7.708 -1.965 1.00 13.54 H new ATOM 0 HB3 LYS A 38 -0.023 -8.986 -2.905 1.00 13.54 H new ATOM 0 HG2 LYS A 38 -1.628 -7.781 -4.275 1.00 2.21 H new ATOM 0 HG3 LYS A 38 -2.165 -9.434 -4.046 1.00 2.21 H new ATOM 0 HD2 LYS A 38 -3.800 -8.699 -2.351 1.00 24.33 H new ATOM 0 HD3 LYS A 38 -3.229 -7.047 -2.486 1.00 24.33 H new ATOM 0 HE2 LYS A 38 -5.308 -7.361 -3.792 1.00 23.03 H new ATOM 0 HE3 LYS A 38 -3.973 -6.937 -4.845 1.00 23.03 H new ATOM 0 HZ1 LYS A 38 -5.231 -8.695 -5.831 1.00 11.14 H new ATOM 0 HZ2 LYS A 38 -3.724 -9.328 -5.369 1.00 11.14 H new ATOM 0 HZ3 LYS A 38 -5.105 -9.659 -4.438 1.00 11.14 H new ATOM 591 N ASN A 39 0.717 -9.868 0.022 1.00 33.31 N ATOM 592 CA ASN A 39 1.988 -10.409 0.545 1.00 33.41 C ATOM 593 C ASN A 39 1.750 -11.738 1.294 1.00 53.33 C ATOM 594 O ASN A 39 2.474 -12.716 1.076 1.00 1.05 O ATOM 595 CB ASN A 39 2.655 -9.342 1.470 1.00 62.01 C ATOM 596 CG ASN A 39 4.105 -9.631 1.893 1.00 21.13 C ATOM 597 OD1 ASN A 39 4.540 -10.777 2.000 1.00 51.42 O ATOM 598 ND2 ASN A 39 4.863 -8.566 2.161 1.00 24.22 N ATOM 0 H ASN A 39 0.478 -8.958 0.417 1.00 33.31 H new ATOM 0 HA ASN A 39 2.662 -10.625 -0.284 1.00 33.41 H new ATOM 0 HB2 ASN A 39 2.631 -8.380 0.958 1.00 62.01 H new ATOM 0 HB3 ASN A 39 2.048 -9.239 2.370 1.00 62.01 H new ATOM 0 HD21 ASN A 39 5.829 -8.691 2.463 1.00 24.22 H new ATOM 0 HD22 ASN A 39 4.476 -7.627 2.064 1.00 24.22 H new ATOM 605 N LYS A 40 0.700 -11.768 2.144 1.00 74.40 N ATOM 606 CA LYS A 40 0.354 -12.966 2.951 1.00 43.44 C ATOM 607 C LYS A 40 -0.266 -14.089 2.084 1.00 61.05 C ATOM 608 O LYS A 40 -0.325 -15.248 2.511 1.00 33.42 O ATOM 609 CB LYS A 40 -0.591 -12.592 4.132 1.00 73.14 C ATOM 610 CG LYS A 40 -1.990 -12.118 3.714 1.00 1.43 C ATOM 611 CD LYS A 40 -2.901 -11.717 4.896 1.00 20.43 C ATOM 612 CE LYS A 40 -2.400 -10.492 5.670 1.00 65.42 C ATOM 613 NZ LYS A 40 -3.412 -10.009 6.657 1.00 4.43 N ATOM 0 H LYS A 40 0.074 -10.976 2.291 1.00 74.40 H new ATOM 0 HA LYS A 40 1.285 -13.352 3.366 1.00 43.44 H new ATOM 0 HB2 LYS A 40 -0.697 -13.460 4.783 1.00 73.14 H new ATOM 0 HB3 LYS A 40 -0.118 -11.807 4.722 1.00 73.14 H new ATOM 0 HG2 LYS A 40 -1.887 -11.265 3.043 1.00 1.43 H new ATOM 0 HG3 LYS A 40 -2.477 -12.912 3.148 1.00 1.43 H new ATOM 0 HD2 LYS A 40 -3.903 -11.513 4.518 1.00 20.43 H new ATOM 0 HD3 LYS A 40 -2.984 -12.560 5.582 1.00 20.43 H new ATOM 0 HE2 LYS A 40 -1.476 -10.743 6.190 1.00 65.42 H new ATOM 0 HE3 LYS A 40 -2.164 -9.691 4.970 1.00 65.42 H new ATOM 0 HZ1 LYS A 40 -3.676 -9.028 6.432 1.00 4.43 H new ATOM 0 HZ2 LYS A 40 -4.257 -10.614 6.612 1.00 4.43 H new ATOM 0 HZ3 LYS A 40 -3.009 -10.048 7.615 1.00 4.43 H new ATOM 627 N MET A 41 -0.742 -13.733 0.870 1.00 33.44 N ATOM 628 CA MET A 41 -1.262 -14.712 -0.116 1.00 75.32 C ATOM 629 C MET A 41 -0.151 -15.226 -1.052 1.00 21.44 C ATOM 630 O MET A 41 -0.385 -16.130 -1.864 1.00 42.43 O ATOM 631 CB MET A 41 -2.416 -14.089 -0.948 1.00 12.14 C ATOM 632 CG MET A 41 -3.709 -13.854 -0.167 1.00 3.35 C ATOM 633 SD MET A 41 -5.090 -13.290 -1.191 1.00 35.24 S ATOM 634 CE MET A 41 -4.513 -11.696 -1.779 1.00 40.03 C ATOM 0 H MET A 41 -0.777 -12.767 0.546 1.00 33.44 H new ATOM 0 HA MET A 41 -1.647 -15.564 0.444 1.00 75.32 H new ATOM 0 HB2 MET A 41 -2.077 -13.138 -1.359 1.00 12.14 H new ATOM 0 HB3 MET A 41 -2.631 -14.743 -1.793 1.00 12.14 H new ATOM 0 HG2 MET A 41 -3.994 -14.780 0.332 1.00 3.35 H new ATOM 0 HG3 MET A 41 -3.522 -13.116 0.613 1.00 3.35 H new ATOM 0 HE1 MET A 41 -5.258 -11.263 -2.447 1.00 40.03 H new ATOM 0 HE2 MET A 41 -4.357 -11.030 -0.930 1.00 40.03 H new ATOM 0 HE3 MET A 41 -3.574 -11.825 -2.317 1.00 40.03 H new ATOM 644 N GLY A 42 1.053 -14.643 -0.933 1.00 23.11 N ATOM 645 CA GLY A 42 2.179 -14.984 -1.810 1.00 4.54 C ATOM 646 C GLY A 42 2.116 -14.286 -3.164 1.00 3.35 C ATOM 647 O GLY A 42 2.948 -14.548 -4.042 1.00 2.33 O ATOM 0 H GLY A 42 1.269 -13.931 -0.235 1.00 23.11 H new ATOM 0 HA2 GLY A 42 3.112 -14.717 -1.314 1.00 4.54 H new ATOM 0 HA3 GLY A 42 2.197 -16.063 -1.965 1.00 4.54 H new ATOM 651 N LYS A 43 1.133 -13.376 -3.319 1.00 61.15 N ATOM 652 CA LYS A 43 0.964 -12.552 -4.526 1.00 42.33 C ATOM 653 C LYS A 43 1.847 -11.296 -4.404 1.00 51.01 C ATOM 654 O LYS A 43 1.364 -10.153 -4.405 1.00 4.40 O ATOM 655 CB LYS A 43 -0.536 -12.181 -4.722 1.00 62.25 C ATOM 656 CG LYS A 43 -1.496 -13.391 -4.754 1.00 51.45 C ATOM 657 CD LYS A 43 -2.941 -13.000 -5.128 1.00 12.44 C ATOM 658 CE LYS A 43 -3.906 -14.203 -5.160 1.00 5.31 C ATOM 659 NZ LYS A 43 -4.228 -14.715 -3.792 1.00 62.40 N ATOM 0 H LYS A 43 0.430 -13.193 -2.603 1.00 61.15 H new ATOM 0 HA LYS A 43 1.277 -13.114 -5.406 1.00 42.33 H new ATOM 0 HB2 LYS A 43 -0.840 -11.513 -3.916 1.00 62.25 H new ATOM 0 HB3 LYS A 43 -0.641 -11.625 -5.654 1.00 62.25 H new ATOM 0 HG2 LYS A 43 -1.126 -14.123 -5.471 1.00 51.45 H new ATOM 0 HG3 LYS A 43 -1.497 -13.874 -3.777 1.00 51.45 H new ATOM 0 HD2 LYS A 43 -3.309 -12.266 -4.411 1.00 12.44 H new ATOM 0 HD3 LYS A 43 -2.939 -12.518 -6.106 1.00 12.44 H new ATOM 0 HE2 LYS A 43 -4.829 -13.911 -5.662 1.00 5.31 H new ATOM 0 HE3 LYS A 43 -3.462 -15.005 -5.750 1.00 5.31 H new ATOM 0 HZ1 LYS A 43 -5.171 -15.155 -3.799 1.00 62.40 H new ATOM 0 HZ2 LYS A 43 -3.519 -15.421 -3.510 1.00 62.40 H new ATOM 0 HZ3 LYS A 43 -4.219 -13.926 -3.115 1.00 62.40 H new ATOM 673 N VAL A 44 3.161 -11.549 -4.290 1.00 20.44 N ATOM 674 CA VAL A 44 4.195 -10.518 -4.108 1.00 53.44 C ATOM 675 C VAL A 44 4.269 -9.601 -5.350 1.00 74.11 C ATOM 676 O VAL A 44 4.640 -8.432 -5.243 1.00 14.02 O ATOM 677 CB VAL A 44 5.588 -11.200 -3.819 1.00 15.30 C ATOM 678 CG1 VAL A 44 6.709 -10.169 -3.605 1.00 52.52 C ATOM 679 CG2 VAL A 44 5.501 -12.167 -2.609 1.00 32.33 C ATOM 0 H VAL A 44 3.541 -12.495 -4.322 1.00 20.44 H new ATOM 0 HA VAL A 44 3.932 -9.897 -3.252 1.00 53.44 H new ATOM 0 HB VAL A 44 5.842 -11.779 -4.707 1.00 15.30 H new ATOM 0 HG11 VAL A 44 7.648 -10.687 -3.410 1.00 52.52 H new ATOM 0 HG12 VAL A 44 6.813 -9.554 -4.499 1.00 52.52 H new ATOM 0 HG13 VAL A 44 6.462 -9.534 -2.755 1.00 52.52 H new ATOM 0 HG21 VAL A 44 6.477 -12.621 -2.435 1.00 32.33 H new ATOM 0 HG22 VAL A 44 5.195 -11.613 -1.722 1.00 32.33 H new ATOM 0 HG23 VAL A 44 4.770 -12.948 -2.819 1.00 32.33 H new ATOM 689 N LYS A 45 3.871 -10.166 -6.512 1.00 54.35 N ATOM 690 CA LYS A 45 3.723 -9.442 -7.793 1.00 1.43 C ATOM 691 C LYS A 45 2.893 -8.160 -7.612 1.00 3.10 C ATOM 692 O LYS A 45 3.354 -7.051 -7.905 1.00 71.43 O ATOM 693 CB LYS A 45 3.013 -10.374 -8.828 1.00 1.34 C ATOM 694 CG LYS A 45 3.851 -11.578 -9.294 1.00 54.33 C ATOM 695 CD LYS A 45 5.051 -11.137 -10.149 1.00 64.21 C ATOM 696 CE LYS A 45 5.926 -12.305 -10.619 1.00 22.51 C ATOM 697 NZ LYS A 45 6.983 -11.855 -11.567 1.00 4.01 N ATOM 0 H LYS A 45 3.640 -11.157 -6.586 1.00 54.35 H new ATOM 0 HA LYS A 45 4.714 -9.162 -8.150 1.00 1.43 H new ATOM 0 HB2 LYS A 45 2.086 -10.743 -8.388 1.00 1.34 H new ATOM 0 HB3 LYS A 45 2.738 -9.781 -9.700 1.00 1.34 H new ATOM 0 HG2 LYS A 45 4.207 -12.132 -8.425 1.00 54.33 H new ATOM 0 HG3 LYS A 45 3.223 -12.257 -9.870 1.00 54.33 H new ATOM 0 HD2 LYS A 45 4.686 -10.592 -11.020 1.00 64.21 H new ATOM 0 HD3 LYS A 45 5.663 -10.443 -9.573 1.00 64.21 H new ATOM 0 HE2 LYS A 45 6.390 -12.782 -9.756 1.00 22.51 H new ATOM 0 HE3 LYS A 45 5.301 -13.057 -11.101 1.00 22.51 H new ATOM 0 HZ1 LYS A 45 7.555 -12.672 -11.863 1.00 4.01 H new ATOM 0 HZ2 LYS A 45 6.539 -11.422 -12.402 1.00 4.01 H new ATOM 0 HZ3 LYS A 45 7.595 -11.156 -11.099 1.00 4.01 H new ATOM 711 N GLU A 46 1.683 -8.348 -7.078 1.00 4.12 N ATOM 712 CA GLU A 46 0.726 -7.257 -6.867 1.00 14.12 C ATOM 713 C GLU A 46 1.124 -6.398 -5.657 1.00 22.25 C ATOM 714 O GLU A 46 0.983 -5.172 -5.696 1.00 34.51 O ATOM 715 CB GLU A 46 -0.691 -7.821 -6.671 1.00 34.12 C ATOM 716 CG GLU A 46 -1.213 -8.718 -7.803 1.00 11.50 C ATOM 717 CD GLU A 46 -2.660 -9.150 -7.571 1.00 43.41 C ATOM 718 OE1 GLU A 46 -3.577 -8.338 -7.807 1.00 21.35 O ATOM 719 OE2 GLU A 46 -2.895 -10.274 -7.099 1.00 72.24 O ATOM 0 H GLU A 46 1.339 -9.261 -6.780 1.00 4.12 H new ATOM 0 HA GLU A 46 0.737 -6.623 -7.753 1.00 14.12 H new ATOM 0 HB2 GLU A 46 -0.710 -8.391 -5.742 1.00 34.12 H new ATOM 0 HB3 GLU A 46 -1.381 -6.986 -6.547 1.00 34.12 H new ATOM 0 HG2 GLU A 46 -1.142 -8.184 -8.751 1.00 11.50 H new ATOM 0 HG3 GLU A 46 -0.580 -9.601 -7.887 1.00 11.50 H new ATOM 726 N ALA A 47 1.652 -7.062 -4.601 1.00 14.34 N ATOM 727 CA ALA A 47 2.049 -6.410 -3.334 1.00 30.15 C ATOM 728 C ALA A 47 3.014 -5.240 -3.598 1.00 3.41 C ATOM 729 O ALA A 47 2.832 -4.147 -3.055 1.00 72.21 O ATOM 730 CB ALA A 47 2.691 -7.438 -2.383 1.00 31.32 C ATOM 0 H ALA A 47 1.814 -8.069 -4.606 1.00 14.34 H new ATOM 0 HA ALA A 47 1.154 -6.008 -2.860 1.00 30.15 H new ATOM 0 HB1 ALA A 47 2.978 -6.945 -1.454 1.00 31.32 H new ATOM 0 HB2 ALA A 47 1.974 -8.230 -2.166 1.00 31.32 H new ATOM 0 HB3 ALA A 47 3.575 -7.867 -2.854 1.00 31.32 H new ATOM 736 N ILE A 48 3.998 -5.500 -4.487 1.00 3.22 N ATOM 737 CA ILE A 48 4.963 -4.500 -4.979 1.00 33.41 C ATOM 738 C ILE A 48 4.248 -3.274 -5.585 1.00 21.23 C ATOM 739 O ILE A 48 4.543 -2.139 -5.204 1.00 13.25 O ATOM 740 CB ILE A 48 5.925 -5.144 -6.050 1.00 15.13 C ATOM 741 CG1 ILE A 48 6.865 -6.190 -5.386 1.00 41.53 C ATOM 742 CG2 ILE A 48 6.746 -4.086 -6.819 1.00 45.53 C ATOM 743 CD1 ILE A 48 7.747 -6.942 -6.359 1.00 44.20 C ATOM 0 H ILE A 48 4.144 -6.427 -4.887 1.00 3.22 H new ATOM 0 HA ILE A 48 5.550 -4.162 -4.125 1.00 33.41 H new ATOM 0 HB ILE A 48 5.293 -5.649 -6.780 1.00 15.13 H new ATOM 0 HG12 ILE A 48 7.498 -5.682 -4.658 1.00 41.53 H new ATOM 0 HG13 ILE A 48 6.258 -6.908 -4.834 1.00 41.53 H new ATOM 0 HG21 ILE A 48 7.392 -4.582 -7.543 1.00 45.53 H new ATOM 0 HG22 ILE A 48 6.069 -3.409 -7.340 1.00 45.53 H new ATOM 0 HG23 ILE A 48 7.357 -3.519 -6.117 1.00 45.53 H new ATOM 0 HD11 ILE A 48 8.370 -7.650 -5.813 1.00 44.20 H new ATOM 0 HD12 ILE A 48 7.124 -7.481 -7.073 1.00 44.20 H new ATOM 0 HD13 ILE A 48 8.383 -6.237 -6.893 1.00 44.20 H new ATOM 755 N GLU A 49 3.298 -3.540 -6.514 1.00 61.25 N ATOM 756 CA GLU A 49 2.552 -2.489 -7.247 1.00 24.20 C ATOM 757 C GLU A 49 1.876 -1.522 -6.268 1.00 22.42 C ATOM 758 O GLU A 49 1.967 -0.306 -6.426 1.00 43.31 O ATOM 759 CB GLU A 49 1.480 -3.111 -8.187 1.00 32.14 C ATOM 760 CG GLU A 49 2.029 -4.112 -9.217 1.00 72.02 C ATOM 761 CD GLU A 49 0.936 -4.705 -10.117 1.00 61.50 C ATOM 762 OE1 GLU A 49 0.458 -3.996 -11.026 1.00 21.15 O ATOM 763 OE2 GLU A 49 0.536 -5.869 -9.914 1.00 13.23 O ATOM 0 H GLU A 49 3.028 -4.488 -6.776 1.00 61.25 H new ATOM 0 HA GLU A 49 3.272 -1.940 -7.854 1.00 24.20 H new ATOM 0 HB2 GLU A 49 0.730 -3.614 -7.577 1.00 32.14 H new ATOM 0 HB3 GLU A 49 0.972 -2.306 -8.718 1.00 32.14 H new ATOM 0 HG2 GLU A 49 2.773 -3.614 -9.838 1.00 72.02 H new ATOM 0 HG3 GLU A 49 2.540 -4.920 -8.694 1.00 72.02 H new ATOM 770 N TYR A 50 1.262 -2.098 -5.226 1.00 21.24 N ATOM 771 CA TYR A 50 0.550 -1.350 -4.193 1.00 30.14 C ATOM 772 C TYR A 50 1.508 -0.533 -3.308 1.00 62.40 C ATOM 773 O TYR A 50 1.182 0.590 -2.956 1.00 24.03 O ATOM 774 CB TYR A 50 -0.299 -2.304 -3.327 1.00 1.40 C ATOM 775 CG TYR A 50 -1.500 -2.897 -4.062 1.00 31.42 C ATOM 776 CD1 TYR A 50 -2.596 -2.101 -4.393 1.00 72.43 C ATOM 777 CD2 TYR A 50 -1.532 -4.237 -4.434 1.00 71.21 C ATOM 778 CE1 TYR A 50 -3.675 -2.631 -5.071 1.00 23.14 C ATOM 779 CE2 TYR A 50 -2.601 -4.767 -5.115 1.00 63.12 C ATOM 780 CZ TYR A 50 -3.672 -3.967 -5.430 1.00 62.32 C ATOM 781 OH TYR A 50 -4.744 -4.507 -6.104 1.00 55.12 O ATOM 0 H TYR A 50 1.248 -3.107 -5.079 1.00 21.24 H new ATOM 0 HA TYR A 50 -0.109 -0.644 -4.698 1.00 30.14 H new ATOM 0 HB2 TYR A 50 0.334 -3.116 -2.970 1.00 1.40 H new ATOM 0 HB3 TYR A 50 -0.652 -1.765 -2.448 1.00 1.40 H new ATOM 0 HD1 TYR A 50 -2.601 -1.057 -4.115 1.00 72.43 H new ATOM 0 HD2 TYR A 50 -0.698 -4.875 -4.182 1.00 71.21 H new ATOM 0 HE1 TYR A 50 -4.519 -2.005 -5.320 1.00 23.14 H new ATOM 0 HE2 TYR A 50 -2.599 -5.808 -5.401 1.00 63.12 H new ATOM 0 HH TYR A 50 -4.488 -5.373 -6.485 1.00 55.12 H new ATOM 791 N PHE A 51 2.680 -1.110 -2.963 1.00 70.22 N ATOM 792 CA PHE A 51 3.703 -0.420 -2.139 1.00 4.45 C ATOM 793 C PHE A 51 4.365 0.732 -2.924 1.00 4.42 C ATOM 794 O PHE A 51 4.824 1.709 -2.330 1.00 11.13 O ATOM 795 CB PHE A 51 4.804 -1.398 -1.652 1.00 4.41 C ATOM 796 CG PHE A 51 4.354 -2.533 -0.735 1.00 2.12 C ATOM 797 CD1 PHE A 51 3.356 -2.341 0.222 1.00 62.31 C ATOM 798 CD2 PHE A 51 4.952 -3.794 -0.820 1.00 61.54 C ATOM 799 CE1 PHE A 51 2.970 -3.374 1.056 1.00 33.13 C ATOM 800 CE2 PHE A 51 4.561 -4.826 0.013 1.00 22.42 C ATOM 801 CZ PHE A 51 3.571 -4.616 0.951 1.00 54.34 C ATOM 0 H PHE A 51 2.944 -2.055 -3.242 1.00 70.22 H new ATOM 0 HA PHE A 51 3.183 -0.016 -1.271 1.00 4.45 H new ATOM 0 HB2 PHE A 51 5.281 -1.837 -2.528 1.00 4.41 H new ATOM 0 HB3 PHE A 51 5.566 -0.820 -1.130 1.00 4.41 H new ATOM 0 HD1 PHE A 51 2.880 -1.376 0.312 1.00 62.31 H new ATOM 0 HD2 PHE A 51 5.732 -3.965 -1.548 1.00 61.54 H new ATOM 0 HE1 PHE A 51 2.197 -3.211 1.792 1.00 33.13 H new ATOM 0 HE2 PHE A 51 5.030 -5.795 -0.070 1.00 22.42 H new ATOM 0 HZ PHE A 51 3.265 -5.421 1.603 1.00 54.34 H new ATOM 811 N LEU A 52 4.416 0.586 -4.262 1.00 72.44 N ATOM 812 CA LEU A 52 5.002 1.597 -5.171 1.00 61.52 C ATOM 813 C LEU A 52 4.069 2.813 -5.277 1.00 12.15 C ATOM 814 O LEU A 52 4.509 3.966 -5.174 1.00 72.14 O ATOM 815 CB LEU A 52 5.273 0.982 -6.581 1.00 23.35 C ATOM 816 CG LEU A 52 6.482 -0.001 -6.677 1.00 65.23 C ATOM 817 CD1 LEU A 52 6.586 -0.651 -8.069 1.00 12.13 C ATOM 818 CD2 LEU A 52 7.792 0.705 -6.316 1.00 10.20 C ATOM 0 H LEU A 52 4.053 -0.235 -4.746 1.00 72.44 H new ATOM 0 HA LEU A 52 5.957 1.925 -4.759 1.00 61.52 H new ATOM 0 HB2 LEU A 52 4.375 0.455 -6.905 1.00 23.35 H new ATOM 0 HB3 LEU A 52 5.436 1.797 -7.286 1.00 23.35 H new ATOM 0 HG LEU A 52 6.305 -0.797 -5.954 1.00 65.23 H new ATOM 0 HD11 LEU A 52 7.440 -1.327 -8.092 1.00 12.13 H new ATOM 0 HD12 LEU A 52 5.674 -1.211 -8.278 1.00 12.13 H new ATOM 0 HD13 LEU A 52 6.717 0.124 -8.824 1.00 12.13 H new ATOM 0 HD21 LEU A 52 8.619 -0.002 -6.391 1.00 10.20 H new ATOM 0 HD22 LEU A 52 7.960 1.534 -7.003 1.00 10.20 H new ATOM 0 HD23 LEU A 52 7.731 1.086 -5.296 1.00 10.20 H new ATOM 830 N ARG A 53 2.770 2.520 -5.462 1.00 63.03 N ATOM 831 CA ARG A 53 1.705 3.536 -5.509 1.00 75.24 C ATOM 832 C ARG A 53 1.520 4.188 -4.128 1.00 72.13 C ATOM 833 O ARG A 53 1.273 5.386 -4.039 1.00 61.11 O ATOM 834 CB ARG A 53 0.375 2.893 -5.970 1.00 13.44 C ATOM 835 CG ARG A 53 0.400 2.292 -7.388 1.00 24.43 C ATOM 836 CD ARG A 53 -0.903 1.551 -7.724 1.00 22.42 C ATOM 837 NE ARG A 53 -0.842 0.866 -9.027 1.00 60.44 N ATOM 838 CZ ARG A 53 -1.873 0.215 -9.593 1.00 44.40 C ATOM 839 NH1 ARG A 53 -3.061 0.162 -8.995 1.00 23.11 N ATOM 840 NH2 ARG A 53 -1.702 -0.386 -10.760 1.00 63.15 N ATOM 0 H ARG A 53 2.428 1.567 -5.584 1.00 63.03 H new ATOM 0 HA ARG A 53 1.995 4.307 -6.223 1.00 75.24 H new ATOM 0 HB2 ARG A 53 0.104 2.108 -5.264 1.00 13.44 H new ATOM 0 HB3 ARG A 53 -0.411 3.647 -5.925 1.00 13.44 H new ATOM 0 HG2 ARG A 53 0.562 3.087 -8.116 1.00 24.43 H new ATOM 0 HG3 ARG A 53 1.241 1.604 -7.475 1.00 24.43 H new ATOM 0 HD2 ARG A 53 -1.114 0.821 -6.943 1.00 22.42 H new ATOM 0 HD3 ARG A 53 -1.730 2.261 -7.729 1.00 22.42 H new ATOM 0 HE ARG A 53 0.043 0.887 -9.534 1.00 60.44 H new ATOM 0 HH11 ARG A 53 -3.199 0.620 -8.094 1.00 23.11 H new ATOM 0 HH12 ARG A 53 -3.833 -0.336 -9.438 1.00 23.11 H new ATOM 0 HH21 ARG A 53 -0.793 -0.353 -11.222 1.00 63.15 H new ATOM 0 HH22 ARG A 53 -2.479 -0.882 -11.197 1.00 63.15 H new ATOM 854 N ALA A 54 1.668 3.366 -3.065 1.00 72.41 N ATOM 855 CA ALA A 54 1.532 3.806 -1.666 1.00 41.41 C ATOM 856 C ALA A 54 2.600 4.840 -1.328 1.00 43.53 C ATOM 857 O ALA A 54 2.291 5.932 -0.834 1.00 11.45 O ATOM 858 CB ALA A 54 1.654 2.604 -0.716 1.00 32.43 C ATOM 0 H ALA A 54 1.886 2.374 -3.158 1.00 72.41 H new ATOM 0 HA ALA A 54 0.549 4.260 -1.542 1.00 41.41 H new ATOM 0 HB1 ALA A 54 1.552 2.943 0.315 1.00 32.43 H new ATOM 0 HB2 ALA A 54 0.869 1.882 -0.940 1.00 32.43 H new ATOM 0 HB3 ALA A 54 2.628 2.133 -0.848 1.00 32.43 H new ATOM 864 N LYS A 55 3.851 4.468 -1.651 1.00 13.34 N ATOM 865 CA LYS A 55 5.032 5.298 -1.437 1.00 73.22 C ATOM 866 C LYS A 55 4.906 6.630 -2.191 1.00 35.10 C ATOM 867 O LYS A 55 5.205 7.687 -1.637 1.00 23.45 O ATOM 868 CB LYS A 55 6.305 4.542 -1.904 1.00 23.15 C ATOM 869 CG LYS A 55 7.592 5.362 -1.753 1.00 61.25 C ATOM 870 CD LYS A 55 8.847 4.683 -2.311 1.00 50.35 C ATOM 871 CE LYS A 55 10.084 5.569 -2.117 1.00 70.30 C ATOM 872 NZ LYS A 55 9.880 6.956 -2.641 1.00 1.23 N ATOM 0 H LYS A 55 4.065 3.565 -2.075 1.00 13.34 H new ATOM 0 HA LYS A 55 5.113 5.512 -0.371 1.00 73.22 H new ATOM 0 HB2 LYS A 55 6.401 3.620 -1.331 1.00 23.15 H new ATOM 0 HB3 LYS A 55 6.186 4.256 -2.949 1.00 23.15 H new ATOM 0 HG2 LYS A 55 7.459 6.320 -2.256 1.00 61.25 H new ATOM 0 HG3 LYS A 55 7.750 5.576 -0.696 1.00 61.25 H new ATOM 0 HD2 LYS A 55 8.999 3.726 -1.812 1.00 50.35 H new ATOM 0 HD3 LYS A 55 8.709 4.472 -3.371 1.00 50.35 H new ATOM 0 HE2 LYS A 55 10.331 5.617 -1.056 1.00 70.30 H new ATOM 0 HE3 LYS A 55 10.936 5.114 -2.622 1.00 70.30 H new ATOM 0 HZ1 LYS A 55 10.802 7.423 -2.755 1.00 1.23 H new ATOM 0 HZ2 LYS A 55 9.398 6.912 -3.561 1.00 1.23 H new ATOM 0 HZ3 LYS A 55 9.298 7.498 -1.971 1.00 1.23 H new ATOM 886 N LYS A 56 4.411 6.539 -3.444 1.00 51.44 N ATOM 887 CA LYS A 56 4.271 7.678 -4.370 1.00 43.54 C ATOM 888 C LYS A 56 3.386 8.782 -3.754 1.00 61.15 C ATOM 889 O LYS A 56 3.676 9.980 -3.882 1.00 64.30 O ATOM 890 CB LYS A 56 3.667 7.193 -5.726 1.00 13.13 C ATOM 891 CG LYS A 56 3.869 8.173 -6.910 1.00 13.34 C ATOM 892 CD LYS A 56 5.357 8.286 -7.323 1.00 1.13 C ATOM 893 CE LYS A 56 5.591 9.250 -8.501 1.00 22.24 C ATOM 894 NZ LYS A 56 5.261 10.660 -8.153 1.00 42.42 N ATOM 0 H LYS A 56 4.093 5.657 -3.845 1.00 51.44 H new ATOM 0 HA LYS A 56 5.260 8.098 -4.552 1.00 43.54 H new ATOM 0 HB2 LYS A 56 4.114 6.233 -5.985 1.00 13.13 H new ATOM 0 HB3 LYS A 56 2.599 7.021 -5.592 1.00 13.13 H new ATOM 0 HG2 LYS A 56 3.281 7.836 -7.764 1.00 13.34 H new ATOM 0 HG3 LYS A 56 3.494 9.158 -6.633 1.00 13.34 H new ATOM 0 HD2 LYS A 56 5.940 8.623 -6.466 1.00 1.13 H new ATOM 0 HD3 LYS A 56 5.728 7.297 -7.593 1.00 1.13 H new ATOM 0 HE2 LYS A 56 6.633 9.190 -8.815 1.00 22.24 H new ATOM 0 HE3 LYS A 56 4.984 8.936 -9.350 1.00 22.24 H new ATOM 0 HZ1 LYS A 56 5.450 11.273 -8.971 1.00 42.42 H new ATOM 0 HZ2 LYS A 56 4.256 10.728 -7.895 1.00 42.42 H new ATOM 0 HZ3 LYS A 56 5.846 10.965 -7.349 1.00 42.42 H new ATOM 908 N VAL A 57 2.320 8.350 -3.063 1.00 40.43 N ATOM 909 CA VAL A 57 1.363 9.254 -2.414 1.00 41.31 C ATOM 910 C VAL A 57 1.961 9.839 -1.118 1.00 4.41 C ATOM 911 O VAL A 57 1.744 11.013 -0.813 1.00 14.12 O ATOM 912 CB VAL A 57 -0.002 8.535 -2.116 1.00 45.11 C ATOM 913 CG1 VAL A 57 -1.036 9.514 -1.545 1.00 24.24 C ATOM 914 CG2 VAL A 57 -0.549 7.858 -3.385 1.00 11.42 C ATOM 0 H VAL A 57 2.099 7.362 -2.939 1.00 40.43 H new ATOM 0 HA VAL A 57 1.162 10.072 -3.106 1.00 41.31 H new ATOM 0 HB VAL A 57 0.186 7.768 -1.365 1.00 45.11 H new ATOM 0 HG11 VAL A 57 -1.969 8.985 -1.350 1.00 24.24 H new ATOM 0 HG12 VAL A 57 -0.659 9.940 -0.615 1.00 24.24 H new ATOM 0 HG13 VAL A 57 -1.216 10.314 -2.264 1.00 24.24 H new ATOM 0 HG21 VAL A 57 -1.494 7.366 -3.156 1.00 11.42 H new ATOM 0 HG22 VAL A 57 -0.709 8.609 -4.158 1.00 11.42 H new ATOM 0 HG23 VAL A 57 0.168 7.118 -3.741 1.00 11.42 H new ATOM 924 N PHE A 58 2.736 9.016 -0.377 1.00 21.42 N ATOM 925 CA PHE A 58 3.463 9.473 0.835 1.00 23.05 C ATOM 926 C PHE A 58 4.555 10.505 0.472 1.00 31.54 C ATOM 927 O PHE A 58 4.885 11.373 1.278 1.00 52.31 O ATOM 928 CB PHE A 58 4.079 8.278 1.619 1.00 52.42 C ATOM 929 CG PHE A 58 3.064 7.388 2.340 1.00 40.24 C ATOM 930 CD1 PHE A 58 2.148 7.942 3.240 1.00 54.24 C ATOM 931 CD2 PHE A 58 3.029 6.007 2.137 1.00 74.53 C ATOM 932 CE1 PHE A 58 1.234 7.141 3.902 1.00 34.33 C ATOM 933 CE2 PHE A 58 2.113 5.210 2.803 1.00 23.30 C ATOM 934 CZ PHE A 58 1.219 5.780 3.685 1.00 24.44 C ATOM 0 H PHE A 58 2.876 8.030 -0.595 1.00 21.42 H new ATOM 0 HA PHE A 58 2.735 9.958 1.485 1.00 23.05 H new ATOM 0 HB2 PHE A 58 4.651 7.663 0.924 1.00 52.42 H new ATOM 0 HB3 PHE A 58 4.784 8.669 2.353 1.00 52.42 H new ATOM 0 HD1 PHE A 58 2.154 9.007 3.420 1.00 54.24 H new ATOM 0 HD2 PHE A 58 3.727 5.553 1.450 1.00 74.53 H new ATOM 0 HE1 PHE A 58 0.530 7.584 4.591 1.00 34.33 H new ATOM 0 HE2 PHE A 58 2.099 4.144 2.632 1.00 23.30 H new ATOM 0 HZ PHE A 58 0.506 5.159 4.207 1.00 24.44 H new ATOM 944 N ASP A 59 5.087 10.408 -0.760 1.00 20.21 N ATOM 945 CA ASP A 59 6.042 11.391 -1.312 1.00 61.05 C ATOM 946 C ASP A 59 5.338 12.751 -1.546 1.00 42.04 C ATOM 947 O ASP A 59 5.918 13.820 -1.309 1.00 15.34 O ATOM 948 CB ASP A 59 6.670 10.880 -2.643 1.00 71.30 C ATOM 949 CG ASP A 59 7.533 9.601 -2.514 1.00 22.43 C ATOM 950 OD1 ASP A 59 8.298 9.471 -1.532 1.00 61.54 O ATOM 951 OD2 ASP A 59 7.492 8.744 -3.421 1.00 42.03 O ATOM 0 H ASP A 59 4.868 9.646 -1.402 1.00 20.21 H new ATOM 0 HA ASP A 59 6.844 11.524 -0.586 1.00 61.05 H new ATOM 0 HB2 ASP A 59 5.867 10.688 -3.355 1.00 71.30 H new ATOM 0 HB3 ASP A 59 7.286 11.674 -3.064 1.00 71.30 H new ATOM 956 N ALA A 60 4.071 12.683 -2.004 1.00 22.22 N ATOM 957 CA ALA A 60 3.214 13.863 -2.245 1.00 35.10 C ATOM 958 C ALA A 60 2.762 14.512 -0.919 1.00 62.32 C ATOM 959 O ALA A 60 2.587 15.735 -0.833 1.00 20.21 O ATOM 960 CB ALA A 60 2.004 13.464 -3.112 1.00 34.14 C ATOM 0 H ALA A 60 3.609 11.799 -2.219 1.00 22.22 H new ATOM 0 HA ALA A 60 3.798 14.610 -2.783 1.00 35.10 H new ATOM 0 HB1 ALA A 60 1.377 14.338 -3.286 1.00 34.14 H new ATOM 0 HB2 ALA A 60 2.354 13.073 -4.067 1.00 34.14 H new ATOM 0 HB3 ALA A 60 1.424 12.698 -2.597 1.00 34.14 H new ATOM 966 N GLU A 61 2.587 13.665 0.107 1.00 75.30 N ATOM 967 CA GLU A 61 2.267 14.090 1.486 1.00 21.33 C ATOM 968 C GLU A 61 3.519 14.597 2.222 1.00 25.12 C ATOM 969 O GLU A 61 3.410 15.210 3.295 1.00 51.43 O ATOM 970 CB GLU A 61 1.665 12.897 2.271 1.00 44.02 C ATOM 971 CG GLU A 61 0.329 12.381 1.730 1.00 13.44 C ATOM 972 CD GLU A 61 -0.805 13.407 1.848 1.00 64.13 C ATOM 973 OE1 GLU A 61 -1.433 13.495 2.929 1.00 23.22 O ATOM 974 OE2 GLU A 61 -1.082 14.133 0.870 1.00 21.21 O ATOM 0 H GLU A 61 2.664 12.653 0.005 1.00 75.30 H new ATOM 0 HA GLU A 61 1.547 14.906 1.428 1.00 21.33 H new ATOM 0 HB2 GLU A 61 2.384 12.078 2.266 1.00 44.02 H new ATOM 0 HB3 GLU A 61 1.529 13.196 3.310 1.00 44.02 H new ATOM 0 HG2 GLU A 61 0.451 12.102 0.683 1.00 13.44 H new ATOM 0 HG3 GLU A 61 0.050 11.476 2.270 1.00 13.44 H new ATOM 981 N HIS A 62 4.698 14.304 1.635 1.00 64.42 N ATOM 982 CA HIS A 62 6.023 14.601 2.207 1.00 24.25 C ATOM 983 C HIS A 62 6.306 13.757 3.472 1.00 22.14 C ATOM 984 O HIS A 62 7.206 14.081 4.250 1.00 32.53 O ATOM 985 CB HIS A 62 6.220 16.132 2.460 1.00 31.45 C ATOM 986 CG HIS A 62 6.136 16.985 1.214 1.00 3.30 C ATOM 987 ND1 HIS A 62 5.367 18.125 1.131 1.00 70.40 N ATOM 988 CD2 HIS A 62 6.763 16.879 0.014 1.00 5.43 C ATOM 989 CE1 HIS A 62 5.512 18.666 -0.061 1.00 63.11 C ATOM 990 NE2 HIS A 62 6.350 17.933 -0.756 1.00 70.33 N ATOM 0 H HIS A 62 4.754 13.843 0.727 1.00 64.42 H new ATOM 0 HA HIS A 62 6.765 14.310 1.464 1.00 24.25 H new ATOM 0 HB2 HIS A 62 5.465 16.471 3.170 1.00 31.45 H new ATOM 0 HB3 HIS A 62 7.192 16.289 2.929 1.00 31.45 H new ATOM 0 HD2 HIS A 62 7.459 16.106 -0.279 1.00 5.43 H new ATOM 0 HE1 HIS A 62 5.023 19.564 -0.409 1.00 63.11 H new ATOM 0 HE2 HIS A 62 6.646 18.119 -1.714 1.00 70.33 H new ATOM 999 N ASP A 63 5.567 12.631 3.631 1.00 32.42 N ATOM 1000 CA ASP A 63 5.870 11.599 4.639 1.00 61.11 C ATOM 1001 C ASP A 63 6.942 10.664 4.073 1.00 62.23 C ATOM 1002 O ASP A 63 6.626 9.610 3.495 1.00 32.51 O ATOM 1003 CB ASP A 63 4.611 10.772 5.033 1.00 60.45 C ATOM 1004 CG ASP A 63 3.566 11.564 5.829 1.00 34.42 C ATOM 1005 OD1 ASP A 63 3.834 11.893 7.006 1.00 74.14 O ATOM 1006 OD2 ASP A 63 2.476 11.859 5.300 1.00 31.01 O ATOM 0 H ASP A 63 4.747 12.418 3.063 1.00 32.42 H new ATOM 0 HA ASP A 63 6.224 12.097 5.542 1.00 61.11 H new ATOM 0 HB2 ASP A 63 4.145 10.385 4.127 1.00 60.45 H new ATOM 0 HB3 ASP A 63 4.925 9.911 5.623 1.00 60.45 H new ATOM 1011 N THR A 64 8.214 11.081 4.181 1.00 12.13 N ATOM 1012 CA THR A 64 9.342 10.248 3.749 1.00 63.34 C ATOM 1013 C THR A 64 9.445 8.985 4.625 1.00 51.34 C ATOM 1014 O THR A 64 9.895 7.956 4.159 1.00 45.02 O ATOM 1015 CB THR A 64 10.703 11.029 3.732 1.00 1.33 C ATOM 1016 OG1 THR A 64 11.767 10.185 3.242 1.00 2.04 O ATOM 1017 CG2 THR A 64 11.085 11.584 5.110 1.00 42.11 C ATOM 0 H THR A 64 8.484 11.988 4.563 1.00 12.13 H new ATOM 0 HA THR A 64 9.142 9.951 2.719 1.00 63.34 H new ATOM 0 HB THR A 64 10.563 11.877 3.061 1.00 1.33 H new ATOM 0 HG1 THR A 64 12.608 10.688 3.237 1.00 2.04 H new ATOM 0 HG21 THR A 64 12.035 12.114 5.038 1.00 42.11 H new ATOM 0 HG22 THR A 64 10.311 12.271 5.453 1.00 42.11 H new ATOM 0 HG23 THR A 64 11.181 10.762 5.819 1.00 42.11 H new ATOM 1025 N ASP A 65 8.974 9.084 5.880 1.00 24.15 N ATOM 1026 CA ASP A 65 8.968 7.970 6.851 1.00 75.54 C ATOM 1027 C ASP A 65 8.034 6.839 6.370 1.00 71.43 C ATOM 1028 O ASP A 65 8.422 5.667 6.332 1.00 25.24 O ATOM 1029 CB ASP A 65 8.512 8.481 8.247 1.00 33.12 C ATOM 1030 CG ASP A 65 9.271 9.735 8.705 1.00 41.22 C ATOM 1031 OD1 ASP A 65 8.899 10.848 8.274 1.00 5.04 O ATOM 1032 OD2 ASP A 65 10.251 9.624 9.469 1.00 73.34 O ATOM 0 H ASP A 65 8.582 9.948 6.255 1.00 24.15 H new ATOM 0 HA ASP A 65 9.980 7.574 6.931 1.00 75.54 H new ATOM 0 HB2 ASP A 65 7.445 8.700 8.217 1.00 33.12 H new ATOM 0 HB3 ASP A 65 8.654 7.689 8.982 1.00 33.12 H new ATOM 1037 N GLY A 66 6.799 7.228 5.998 1.00 31.35 N ATOM 1038 CA GLY A 66 5.807 6.298 5.451 1.00 15.12 C ATOM 1039 C GLY A 66 6.208 5.730 4.095 1.00 54.11 C ATOM 1040 O GLY A 66 5.870 4.585 3.761 1.00 50.34 O ATOM 0 H GLY A 66 6.468 8.190 6.070 1.00 31.35 H new ATOM 0 HA2 GLY A 66 5.660 5.478 6.153 1.00 15.12 H new ATOM 0 HA3 GLY A 66 4.850 6.811 5.355 1.00 15.12 H new ATOM 1044 N ALA A 67 6.925 6.555 3.316 1.00 22.20 N ATOM 1045 CA ALA A 67 7.432 6.195 1.986 1.00 10.43 C ATOM 1046 C ALA A 67 8.586 5.176 2.084 1.00 3.44 C ATOM 1047 O ALA A 67 8.668 4.251 1.278 1.00 14.34 O ATOM 1048 CB ALA A 67 7.877 7.459 1.245 1.00 20.41 C ATOM 0 H ALA A 67 7.171 7.504 3.598 1.00 22.20 H new ATOM 0 HA ALA A 67 6.628 5.720 1.423 1.00 10.43 H new ATOM 0 HB1 ALA A 67 8.253 7.189 0.258 1.00 20.41 H new ATOM 0 HB2 ALA A 67 7.029 8.135 1.138 1.00 20.41 H new ATOM 0 HB3 ALA A 67 8.666 7.954 1.811 1.00 20.41 H new ATOM 1054 N ARG A 68 9.461 5.360 3.095 1.00 75.13 N ATOM 1055 CA ARG A 68 10.606 4.460 3.368 1.00 74.14 C ATOM 1056 C ARG A 68 10.111 3.129 3.951 1.00 21.15 C ATOM 1057 O ARG A 68 10.754 2.098 3.781 1.00 21.03 O ATOM 1058 CB ARG A 68 11.626 5.127 4.337 1.00 51.15 C ATOM 1059 CG ARG A 68 12.407 6.324 3.739 1.00 53.42 C ATOM 1060 CD ARG A 68 13.286 7.041 4.778 1.00 30.34 C ATOM 1061 NE ARG A 68 14.354 6.174 5.301 1.00 54.44 N ATOM 1062 CZ ARG A 68 15.041 6.387 6.437 1.00 34.24 C ATOM 1063 NH1 ARG A 68 14.796 7.447 7.213 1.00 33.35 N ATOM 1064 NH2 ARG A 68 15.985 5.524 6.788 1.00 10.44 N ATOM 0 H ARG A 68 9.394 6.140 3.749 1.00 75.13 H new ATOM 0 HA ARG A 68 11.114 4.265 2.424 1.00 74.14 H new ATOM 0 HB2 ARG A 68 11.093 5.467 5.225 1.00 51.15 H new ATOM 0 HB3 ARG A 68 12.341 4.372 4.664 1.00 51.15 H new ATOM 0 HG2 ARG A 68 13.035 5.970 2.921 1.00 53.42 H new ATOM 0 HG3 ARG A 68 11.701 7.037 3.314 1.00 53.42 H new ATOM 0 HD2 ARG A 68 13.730 7.927 4.325 1.00 30.34 H new ATOM 0 HD3 ARG A 68 12.662 7.383 5.604 1.00 30.34 H new ATOM 0 HE ARG A 68 14.592 5.344 4.758 1.00 54.44 H new ATOM 0 HH11 ARG A 68 14.074 8.117 6.948 1.00 33.35 H new ATOM 0 HH12 ARG A 68 15.331 7.586 8.070 1.00 33.35 H new ATOM 0 HH21 ARG A 68 16.180 4.714 6.199 1.00 10.44 H new ATOM 0 HH22 ARG A 68 16.516 5.670 7.647 1.00 10.44 H new ATOM 1078 N ARG A 69 8.988 3.191 4.684 1.00 61.25 N ATOM 1079 CA ARG A 69 8.304 2.009 5.232 1.00 51.33 C ATOM 1080 C ARG A 69 7.738 1.138 4.089 1.00 30.15 C ATOM 1081 O ARG A 69 7.846 -0.097 4.116 1.00 52.22 O ATOM 1082 CB ARG A 69 7.166 2.475 6.175 1.00 74.13 C ATOM 1083 CG ARG A 69 6.363 1.339 6.844 1.00 1.13 C ATOM 1084 CD ARG A 69 5.107 1.853 7.560 1.00 73.54 C ATOM 1085 NE ARG A 69 4.213 2.556 6.619 1.00 43.33 N ATOM 1086 CZ ARG A 69 3.477 3.640 6.910 1.00 44.44 C ATOM 1087 NH1 ARG A 69 3.491 4.176 8.128 1.00 53.54 N ATOM 1088 NH2 ARG A 69 2.724 4.177 5.966 1.00 63.10 N ATOM 0 H ARG A 69 8.525 4.070 4.915 1.00 61.25 H new ATOM 0 HA ARG A 69 9.015 1.405 5.796 1.00 51.33 H new ATOM 0 HB2 ARG A 69 7.596 3.103 6.955 1.00 74.13 H new ATOM 0 HB3 ARG A 69 6.477 3.100 5.606 1.00 74.13 H new ATOM 0 HG2 ARG A 69 6.074 0.609 6.088 1.00 1.13 H new ATOM 0 HG3 ARG A 69 7.000 0.821 7.561 1.00 1.13 H new ATOM 0 HD2 ARG A 69 4.576 1.017 8.016 1.00 73.54 H new ATOM 0 HD3 ARG A 69 5.394 2.527 8.367 1.00 73.54 H new ATOM 0 HE ARG A 69 4.149 2.188 5.670 1.00 43.33 H new ATOM 0 HH11 ARG A 69 4.068 3.763 8.860 1.00 53.54 H new ATOM 0 HH12 ARG A 69 2.924 5.000 8.329 1.00 53.54 H new ATOM 0 HH21 ARG A 69 2.708 3.767 5.032 1.00 63.10 H new ATOM 0 HH22 ARG A 69 2.159 5.001 6.171 1.00 63.10 H new ATOM 1102 N ALA A 70 7.138 1.809 3.082 1.00 34.34 N ATOM 1103 CA ALA A 70 6.624 1.151 1.866 1.00 54.04 C ATOM 1104 C ALA A 70 7.781 0.575 1.037 1.00 53.40 C ATOM 1105 O ALA A 70 7.678 -0.525 0.488 1.00 35.30 O ATOM 1106 CB ALA A 70 5.776 2.128 1.041 1.00 55.41 C ATOM 0 H ALA A 70 6.998 2.819 3.091 1.00 34.34 H new ATOM 0 HA ALA A 70 5.981 0.322 2.162 1.00 54.04 H new ATOM 0 HB1 ALA A 70 5.406 1.624 0.148 1.00 55.41 H new ATOM 0 HB2 ALA A 70 4.932 2.472 1.639 1.00 55.41 H new ATOM 0 HB3 ALA A 70 6.386 2.982 0.749 1.00 55.41 H new ATOM 1112 N ALA A 71 8.895 1.334 0.989 1.00 73.51 N ATOM 1113 CA ALA A 71 10.136 0.927 0.303 1.00 42.41 C ATOM 1114 C ALA A 71 10.839 -0.232 1.039 1.00 65.12 C ATOM 1115 O ALA A 71 11.550 -1.025 0.416 1.00 45.54 O ATOM 1116 CB ALA A 71 11.080 2.126 0.150 1.00 60.51 C ATOM 0 H ALA A 71 8.958 2.252 1.428 1.00 73.51 H new ATOM 0 HA ALA A 71 9.865 0.566 -0.689 1.00 42.41 H new ATOM 0 HB1 ALA A 71 11.991 1.809 -0.358 1.00 60.51 H new ATOM 0 HB2 ALA A 71 10.589 2.903 -0.436 1.00 60.51 H new ATOM 0 HB3 ALA A 71 11.332 2.519 1.135 1.00 60.51 H new ATOM 1122 N LYS A 72 10.634 -0.313 2.366 1.00 54.44 N ATOM 1123 CA LYS A 72 11.155 -1.411 3.203 1.00 23.13 C ATOM 1124 C LYS A 72 10.397 -2.713 2.901 1.00 21.40 C ATOM 1125 O LYS A 72 11.010 -3.770 2.743 1.00 71.12 O ATOM 1126 CB LYS A 72 11.043 -1.048 4.711 1.00 11.33 C ATOM 1127 CG LYS A 72 11.415 -2.199 5.673 1.00 32.43 C ATOM 1128 CD LYS A 72 11.373 -1.804 7.160 1.00 2.54 C ATOM 1129 CE LYS A 72 11.576 -3.015 8.088 1.00 51.23 C ATOM 1130 NZ LYS A 72 12.880 -3.707 7.846 1.00 2.20 N ATOM 0 H LYS A 72 10.102 0.382 2.890 1.00 54.44 H new ATOM 0 HA LYS A 72 12.209 -1.560 2.967 1.00 23.13 H new ATOM 0 HB2 LYS A 72 11.690 -0.195 4.916 1.00 11.33 H new ATOM 0 HB3 LYS A 72 10.022 -0.731 4.921 1.00 11.33 H new ATOM 0 HG2 LYS A 72 10.732 -3.032 5.509 1.00 32.43 H new ATOM 0 HG3 LYS A 72 12.416 -2.555 5.429 1.00 32.43 H new ATOM 0 HD2 LYS A 72 12.146 -1.062 7.359 1.00 2.54 H new ATOM 0 HD3 LYS A 72 10.415 -1.334 7.383 1.00 2.54 H new ATOM 0 HE2 LYS A 72 11.530 -2.686 9.126 1.00 51.23 H new ATOM 0 HE3 LYS A 72 10.760 -3.722 7.941 1.00 51.23 H new ATOM 0 HZ1 LYS A 72 13.000 -4.473 8.539 1.00 2.20 H new ATOM 0 HZ2 LYS A 72 12.889 -4.105 6.885 1.00 2.20 H new ATOM 0 HZ3 LYS A 72 13.659 -3.025 7.945 1.00 2.20 H new ATOM 1144 N SER A 73 9.061 -2.607 2.805 1.00 74.33 N ATOM 1145 CA SER A 73 8.185 -3.734 2.438 1.00 74.54 C ATOM 1146 C SER A 73 8.519 -4.255 1.023 1.00 33.41 C ATOM 1147 O SER A 73 8.432 -5.458 0.753 1.00 0.44 O ATOM 1148 CB SER A 73 6.718 -3.281 2.528 1.00 72.12 C ATOM 1149 OG SER A 73 6.386 -2.902 3.849 1.00 13.31 O ATOM 0 H SER A 73 8.557 -1.737 2.980 1.00 74.33 H new ATOM 0 HA SER A 73 8.348 -4.558 3.133 1.00 74.54 H new ATOM 0 HB2 SER A 73 6.550 -2.443 1.852 1.00 72.12 H new ATOM 0 HB3 SER A 73 6.063 -4.089 2.202 1.00 72.12 H new ATOM 0 HG SER A 73 6.904 -2.109 4.102 1.00 13.31 H new ATOM 1155 N LEU A 74 8.906 -3.317 0.134 1.00 12.33 N ATOM 1156 CA LEU A 74 9.439 -3.618 -1.205 1.00 75.34 C ATOM 1157 C LEU A 74 10.776 -4.371 -1.115 1.00 42.43 C ATOM 1158 O LEU A 74 10.978 -5.372 -1.800 1.00 24.31 O ATOM 1159 CB LEU A 74 9.597 -2.294 -2.010 1.00 74.20 C ATOM 1160 CG LEU A 74 8.266 -1.673 -2.510 1.00 53.23 C ATOM 1161 CD1 LEU A 74 8.427 -0.211 -2.939 1.00 5.02 C ATOM 1162 CD2 LEU A 74 7.677 -2.515 -3.642 1.00 3.31 C ATOM 0 H LEU A 74 8.855 -2.318 0.331 1.00 12.33 H new ATOM 0 HA LEU A 74 8.736 -4.269 -1.725 1.00 75.34 H new ATOM 0 HB2 LEU A 74 10.110 -1.564 -1.384 1.00 74.20 H new ATOM 0 HB3 LEU A 74 10.239 -2.483 -2.870 1.00 74.20 H new ATOM 0 HG LEU A 74 7.571 -1.677 -1.670 1.00 53.23 H new ATOM 0 HD11 LEU A 74 7.467 0.176 -3.280 1.00 5.02 H new ATOM 0 HD12 LEU A 74 8.776 0.380 -2.093 1.00 5.02 H new ATOM 0 HD13 LEU A 74 9.153 -0.148 -3.750 1.00 5.02 H new ATOM 0 HD21 LEU A 74 6.744 -2.066 -3.982 1.00 3.31 H new ATOM 0 HD22 LEU A 74 8.383 -2.555 -4.471 1.00 3.31 H new ATOM 0 HD23 LEU A 74 7.484 -3.525 -3.281 1.00 3.31 H new ATOM 1174 N SER A 75 11.659 -3.899 -0.223 1.00 44.42 N ATOM 1175 CA SER A 75 13.015 -4.453 -0.034 1.00 12.52 C ATOM 1176 C SER A 75 12.961 -5.937 0.412 1.00 60.40 C ATOM 1177 O SER A 75 13.823 -6.735 0.037 1.00 24.34 O ATOM 1178 CB SER A 75 13.780 -3.584 1.001 1.00 45.43 C ATOM 1179 OG SER A 75 15.137 -3.974 1.151 1.00 33.25 O ATOM 0 H SER A 75 11.453 -3.114 0.395 1.00 44.42 H new ATOM 0 HA SER A 75 13.545 -4.427 -0.986 1.00 12.52 H new ATOM 0 HB2 SER A 75 13.739 -2.539 0.693 1.00 45.43 H new ATOM 0 HB3 SER A 75 13.279 -3.651 1.966 1.00 45.43 H new ATOM 0 HG SER A 75 15.573 -3.395 1.811 1.00 33.25 H new ATOM 1185 N GLU A 76 11.930 -6.281 1.202 1.00 44.31 N ATOM 1186 CA GLU A 76 11.663 -7.664 1.640 1.00 54.14 C ATOM 1187 C GLU A 76 11.041 -8.488 0.485 1.00 54.02 C ATOM 1188 O GLU A 76 11.360 -9.670 0.297 1.00 0.32 O ATOM 1189 CB GLU A 76 10.693 -7.645 2.854 1.00 71.32 C ATOM 1190 CG GLU A 76 11.125 -6.742 4.034 1.00 53.13 C ATOM 1191 CD GLU A 76 12.389 -7.221 4.769 1.00 0.14 C ATOM 1192 OE1 GLU A 76 13.514 -6.843 4.375 1.00 73.25 O ATOM 1193 OE2 GLU A 76 12.263 -7.979 5.754 1.00 74.43 O ATOM 0 H GLU A 76 11.254 -5.605 1.557 1.00 44.31 H new ATOM 0 HA GLU A 76 12.604 -8.130 1.931 1.00 54.14 H new ATOM 0 HB2 GLU A 76 9.712 -7.318 2.509 1.00 71.32 H new ATOM 0 HB3 GLU A 76 10.578 -8.665 3.222 1.00 71.32 H new ATOM 0 HG2 GLU A 76 11.297 -5.733 3.660 1.00 53.13 H new ATOM 0 HG3 GLU A 76 10.304 -6.681 4.749 1.00 53.13 H new ATOM 1200 N ALA A 77 10.161 -7.825 -0.288 1.00 65.43 N ATOM 1201 CA ALA A 77 9.344 -8.457 -1.340 1.00 74.51 C ATOM 1202 C ALA A 77 10.193 -8.907 -2.550 1.00 42.31 C ATOM 1203 O ALA A 77 10.054 -10.039 -3.012 1.00 43.34 O ATOM 1204 CB ALA A 77 8.248 -7.466 -1.778 1.00 30.05 C ATOM 0 H ALA A 77 9.995 -6.823 -0.198 1.00 65.43 H new ATOM 0 HA ALA A 77 8.890 -9.360 -0.931 1.00 74.51 H new ATOM 0 HB1 ALA A 77 7.636 -7.921 -2.557 1.00 30.05 H new ATOM 0 HB2 ALA A 77 7.620 -7.216 -0.923 1.00 30.05 H new ATOM 0 HB3 ALA A 77 8.712 -6.559 -2.165 1.00 30.05 H new ATOM 1210 N TYR A 78 11.088 -8.012 -3.021 1.00 74.34 N ATOM 1211 CA TYR A 78 11.918 -8.215 -4.236 1.00 12.34 C ATOM 1212 C TYR A 78 12.844 -9.451 -4.126 1.00 33.14 C ATOM 1213 O TYR A 78 13.153 -10.089 -5.139 1.00 11.20 O ATOM 1214 CB TYR A 78 12.749 -6.932 -4.540 1.00 55.32 C ATOM 1215 CG TYR A 78 11.976 -5.812 -5.252 1.00 44.12 C ATOM 1216 CD1 TYR A 78 11.519 -5.976 -6.564 1.00 61.22 C ATOM 1217 CD2 TYR A 78 11.715 -4.597 -4.628 1.00 45.43 C ATOM 1218 CE1 TYR A 78 10.831 -4.966 -7.211 1.00 44.23 C ATOM 1219 CE2 TYR A 78 11.031 -3.586 -5.267 1.00 62.15 C ATOM 1220 CZ TYR A 78 10.588 -3.773 -6.558 1.00 14.11 C ATOM 1221 OH TYR A 78 9.905 -2.762 -7.203 1.00 43.21 O ATOM 0 H TYR A 78 11.259 -7.116 -2.565 1.00 74.34 H new ATOM 0 HA TYR A 78 11.235 -8.408 -5.064 1.00 12.34 H new ATOM 0 HB2 TYR A 78 13.143 -6.541 -3.602 1.00 55.32 H new ATOM 0 HB3 TYR A 78 13.606 -7.209 -5.154 1.00 55.32 H new ATOM 0 HD1 TYR A 78 11.707 -6.906 -7.080 1.00 61.22 H new ATOM 0 HD2 TYR A 78 12.058 -4.442 -3.616 1.00 45.43 H new ATOM 0 HE1 TYR A 78 10.485 -5.109 -8.224 1.00 44.23 H new ATOM 0 HE2 TYR A 78 10.843 -2.652 -4.759 1.00 62.15 H new ATOM 0 HH TYR A 78 9.818 -1.992 -6.603 1.00 43.21 H new ATOM 1231 N GLN A 79 13.274 -9.761 -2.891 1.00 34.41 N ATOM 1232 CA GLN A 79 14.096 -10.953 -2.585 1.00 61.41 C ATOM 1233 C GLN A 79 13.329 -12.241 -2.958 1.00 2.51 C ATOM 1234 O GLN A 79 13.885 -13.175 -3.554 1.00 52.32 O ATOM 1235 CB GLN A 79 14.447 -10.967 -1.071 1.00 4.43 C ATOM 1236 CG GLN A 79 15.164 -9.695 -0.560 1.00 41.13 C ATOM 1237 CD GLN A 79 15.231 -9.605 0.972 1.00 41.12 C ATOM 1238 OE1 GLN A 79 14.348 -10.102 1.674 1.00 24.34 O ATOM 1239 NE2 GLN A 79 16.259 -8.959 1.510 1.00 52.21 N ATOM 0 H GLN A 79 13.062 -9.192 -2.071 1.00 34.41 H new ATOM 0 HA GLN A 79 15.015 -10.911 -3.170 1.00 61.41 H new ATOM 0 HB2 GLN A 79 13.528 -11.103 -0.501 1.00 4.43 H new ATOM 0 HB3 GLN A 79 15.080 -11.831 -0.867 1.00 4.43 H new ATOM 0 HG2 GLN A 79 16.177 -9.672 -0.962 1.00 41.13 H new ATOM 0 HG3 GLN A 79 14.647 -8.816 -0.946 1.00 41.13 H new ATOM 0 HE21 GLN A 79 16.978 -8.556 0.910 1.00 52.21 H new ATOM 0 HE22 GLN A 79 16.329 -8.866 2.523 1.00 52.21 H new ATOM 1248 N LYS A 80 12.030 -12.237 -2.621 1.00 0.13 N ATOM 1249 CA LYS A 80 11.118 -13.381 -2.793 1.00 3.13 C ATOM 1250 C LYS A 80 10.691 -13.555 -4.260 1.00 3.30 C ATOM 1251 O LYS A 80 10.380 -14.670 -4.697 1.00 72.24 O ATOM 1252 CB LYS A 80 9.885 -13.172 -1.876 1.00 33.03 C ATOM 1253 CG LYS A 80 10.267 -13.013 -0.386 1.00 71.23 C ATOM 1254 CD LYS A 80 9.071 -12.688 0.524 1.00 64.32 C ATOM 1255 CE LYS A 80 9.482 -12.546 1.999 1.00 44.15 C ATOM 1256 NZ LYS A 80 10.468 -11.444 2.215 1.00 51.32 N ATOM 0 H LYS A 80 11.574 -11.421 -2.212 1.00 0.13 H new ATOM 0 HA LYS A 80 11.638 -14.296 -2.511 1.00 3.13 H new ATOM 0 HB2 LYS A 80 9.340 -12.286 -2.203 1.00 33.03 H new ATOM 0 HB3 LYS A 80 9.209 -14.020 -1.985 1.00 33.03 H new ATOM 0 HG2 LYS A 80 10.737 -13.934 -0.040 1.00 71.23 H new ATOM 0 HG3 LYS A 80 11.010 -12.221 -0.292 1.00 71.23 H new ATOM 0 HD2 LYS A 80 8.603 -11.762 0.189 1.00 64.32 H new ATOM 0 HD3 LYS A 80 8.323 -13.475 0.432 1.00 64.32 H new ATOM 0 HE2 LYS A 80 8.595 -12.359 2.604 1.00 44.15 H new ATOM 0 HE3 LYS A 80 9.911 -13.486 2.345 1.00 44.15 H new ATOM 0 HZ1 LYS A 80 11.390 -11.849 2.474 1.00 51.32 H new ATOM 0 HZ2 LYS A 80 10.566 -10.890 1.340 1.00 51.32 H new ATOM 0 HZ3 LYS A 80 10.134 -10.825 2.981 1.00 51.32 H new ATOM 1270 N VAL A 81 10.668 -12.431 -5.009 1.00 34.12 N ATOM 1271 CA VAL A 81 10.367 -12.419 -6.464 1.00 75.52 C ATOM 1272 C VAL A 81 11.434 -13.205 -7.247 1.00 32.44 C ATOM 1273 O VAL A 81 11.136 -13.875 -8.248 1.00 22.43 O ATOM 1274 CB VAL A 81 10.277 -10.942 -7.014 1.00 2.45 C ATOM 1275 CG1 VAL A 81 9.968 -10.889 -8.532 1.00 10.34 C ATOM 1276 CG2 VAL A 81 9.232 -10.143 -6.226 1.00 43.12 C ATOM 0 H VAL A 81 10.857 -11.505 -4.625 1.00 34.12 H new ATOM 0 HA VAL A 81 9.399 -12.900 -6.605 1.00 75.52 H new ATOM 0 HB VAL A 81 11.258 -10.489 -6.875 1.00 2.45 H new ATOM 0 HG11 VAL A 81 9.917 -9.850 -8.857 1.00 10.34 H new ATOM 0 HG12 VAL A 81 10.756 -11.403 -9.082 1.00 10.34 H new ATOM 0 HG13 VAL A 81 9.013 -11.377 -8.726 1.00 10.34 H new ATOM 0 HG21 VAL A 81 9.181 -9.127 -6.616 1.00 43.12 H new ATOM 0 HG22 VAL A 81 8.257 -10.620 -6.327 1.00 43.12 H new ATOM 0 HG23 VAL A 81 9.514 -10.114 -5.174 1.00 43.12 H new ATOM 1286 N GLU A 82 12.680 -13.118 -6.763 1.00 30.41 N ATOM 1287 CA GLU A 82 13.817 -13.850 -7.335 1.00 14.15 C ATOM 1288 C GLU A 82 13.851 -15.295 -6.779 1.00 42.10 C ATOM 1289 O GLU A 82 14.768 -15.672 -6.030 1.00 14.31 O ATOM 1290 CB GLU A 82 15.141 -13.106 -7.012 1.00 55.15 C ATOM 1291 CG GLU A 82 15.225 -11.648 -7.494 1.00 23.00 C ATOM 1292 CD GLU A 82 16.508 -10.953 -7.016 1.00 33.42 C ATOM 1293 OE1 GLU A 82 16.637 -10.728 -5.795 1.00 74.33 O ATOM 1294 OE2 GLU A 82 17.404 -10.663 -7.839 1.00 62.03 O ATOM 0 H GLU A 82 12.928 -12.537 -5.962 1.00 30.41 H new ATOM 0 HA GLU A 82 13.703 -13.901 -8.418 1.00 14.15 H new ATOM 0 HB2 GLU A 82 15.290 -13.121 -5.932 1.00 55.15 H new ATOM 0 HB3 GLU A 82 15.966 -13.663 -7.455 1.00 55.15 H new ATOM 0 HG2 GLU A 82 15.185 -11.624 -8.583 1.00 23.00 H new ATOM 0 HG3 GLU A 82 14.358 -11.096 -7.131 1.00 23.00 H new ATOM 1301 N GLY A 83 12.842 -16.103 -7.160 1.00 53.41 N ATOM 1302 CA GLY A 83 12.738 -17.505 -6.730 1.00 24.10 C ATOM 1303 C GLY A 83 13.521 -18.448 -7.640 1.00 35.21 C ATOM 1304 O GLY A 83 13.052 -19.542 -7.964 1.00 42.41 O ATOM 0 H GLY A 83 12.083 -15.802 -7.770 1.00 53.41 H new ATOM 0 HA2 GLY A 83 13.108 -17.598 -5.709 1.00 24.10 H new ATOM 0 HA3 GLY A 83 11.689 -17.802 -6.718 1.00 24.10 H new ATOM 1308 N SER A 84 14.726 -18.010 -8.046 1.00 61.14 N ATOM 1309 CA SER A 84 15.597 -18.744 -8.987 1.00 54.05 C ATOM 1310 C SER A 84 16.304 -19.919 -8.287 1.00 32.42 C ATOM 1311 O SER A 84 16.405 -19.950 -7.051 1.00 45.34 O ATOM 1312 CB SER A 84 16.629 -17.763 -9.587 1.00 61.34 C ATOM 1313 OG SER A 84 17.362 -17.101 -8.571 1.00 33.04 O ATOM 0 H SER A 84 15.128 -17.128 -7.728 1.00 61.14 H new ATOM 0 HA SER A 84 14.986 -19.163 -9.786 1.00 54.05 H new ATOM 0 HB2 SER A 84 17.314 -18.306 -10.238 1.00 61.34 H new ATOM 0 HB3 SER A 84 16.117 -17.027 -10.207 1.00 61.34 H new ATOM 0 HG SER A 84 18.008 -16.488 -8.980 1.00 33.04 H new ATOM 1319 N GLY A 85 16.805 -20.869 -9.094 1.00 74.32 N ATOM 1320 CA GLY A 85 17.417 -22.103 -8.587 1.00 52.40 C ATOM 1321 C GLY A 85 16.355 -23.126 -8.228 1.00 12.42 C ATOM 1322 O GLY A 85 16.312 -24.218 -8.807 1.00 61.33 O ATOM 0 H GLY A 85 16.796 -20.801 -10.112 1.00 74.32 H new ATOM 0 HA2 GLY A 85 18.087 -22.517 -9.340 1.00 52.40 H new ATOM 0 HA3 GLY A 85 18.023 -21.879 -7.709 1.00 52.40 H new ATOM 1326 N ASP A 86 15.489 -22.756 -7.269 1.00 25.15 N ATOM 1327 CA ASP A 86 14.300 -23.531 -6.911 1.00 22.30 C ATOM 1328 C ASP A 86 13.308 -23.502 -8.084 1.00 72.31 C ATOM 1329 O ASP A 86 12.756 -22.444 -8.408 1.00 1.34 O ATOM 1330 CB ASP A 86 13.639 -22.952 -5.627 1.00 34.12 C ATOM 1331 CG ASP A 86 12.414 -23.761 -5.163 1.00 60.43 C ATOM 1332 OD1 ASP A 86 12.587 -24.925 -4.750 1.00 73.30 O ATOM 1333 OD2 ASP A 86 11.278 -23.243 -5.202 1.00 20.34 O ATOM 0 H ASP A 86 15.600 -21.904 -6.720 1.00 25.15 H new ATOM 0 HA ASP A 86 14.589 -24.562 -6.706 1.00 22.30 H new ATOM 0 HB2 ASP A 86 14.377 -22.928 -4.825 1.00 34.12 H new ATOM 0 HB3 ASP A 86 13.337 -21.921 -5.814 1.00 34.12 H new ATOM 1338 N LYS A 87 13.135 -24.652 -8.750 1.00 43.01 N ATOM 1339 CA LYS A 87 12.178 -24.797 -9.852 1.00 63.11 C ATOM 1340 C LYS A 87 10.773 -25.049 -9.271 1.00 42.11 C ATOM 1341 O LYS A 87 10.533 -26.085 -8.629 1.00 1.43 O ATOM 1342 CB LYS A 87 12.617 -25.947 -10.804 1.00 22.32 C ATOM 1343 CG LYS A 87 11.668 -26.198 -12.003 1.00 32.32 C ATOM 1344 CD LYS A 87 11.547 -24.975 -12.941 1.00 23.43 C ATOM 1345 CE LYS A 87 10.533 -25.192 -14.069 1.00 45.24 C ATOM 1346 NZ LYS A 87 10.459 -24.014 -14.976 1.00 51.31 N ATOM 0 H LYS A 87 13.654 -25.505 -8.540 1.00 43.01 H new ATOM 0 HA LYS A 87 12.152 -23.880 -10.441 1.00 63.11 H new ATOM 0 HB2 LYS A 87 13.612 -25.722 -11.188 1.00 22.32 H new ATOM 0 HB3 LYS A 87 12.699 -26.867 -10.225 1.00 22.32 H new ATOM 0 HG2 LYS A 87 12.030 -27.053 -12.574 1.00 32.32 H new ATOM 0 HG3 LYS A 87 10.679 -26.461 -11.628 1.00 32.32 H new ATOM 0 HD2 LYS A 87 11.254 -24.102 -12.357 1.00 23.43 H new ATOM 0 HD3 LYS A 87 12.523 -24.756 -13.373 1.00 23.43 H new ATOM 0 HE2 LYS A 87 10.810 -26.076 -14.643 1.00 45.24 H new ATOM 0 HE3 LYS A 87 9.549 -25.385 -13.642 1.00 45.24 H new ATOM 0 HZ1 LYS A 87 9.763 -24.197 -15.727 1.00 51.31 H new ATOM 0 HZ2 LYS A 87 10.170 -23.175 -14.433 1.00 51.31 H new ATOM 0 HZ3 LYS A 87 11.392 -23.845 -15.403 1.00 51.31 H new ATOM 1360 N GLY A 88 9.874 -24.069 -9.462 1.00 62.34 N ATOM 1361 CA GLY A 88 8.488 -24.177 -9.028 1.00 51.14 C ATOM 1362 C GLY A 88 7.709 -25.129 -9.925 1.00 24.01 C ATOM 1363 O GLY A 88 7.729 -24.979 -11.156 1.00 2.24 O ATOM 0 H GLY A 88 10.096 -23.186 -9.921 1.00 62.34 H new ATOM 0 HA2 GLY A 88 8.452 -24.531 -7.998 1.00 51.14 H new ATOM 0 HA3 GLY A 88 8.020 -23.192 -9.043 1.00 51.14 H new ATOM 1367 N LYS A 89 7.043 -26.121 -9.312 1.00 71.22 N ATOM 1368 CA LYS A 89 6.290 -27.152 -10.035 1.00 35.02 C ATOM 1369 C LYS A 89 4.968 -26.563 -10.559 1.00 44.24 C ATOM 1370 O LYS A 89 4.067 -26.236 -9.782 1.00 35.51 O ATOM 1371 CB LYS A 89 6.026 -28.412 -9.151 1.00 11.41 C ATOM 1372 CG LYS A 89 7.296 -29.213 -8.748 1.00 13.14 C ATOM 1373 CD LYS A 89 8.090 -28.582 -7.580 1.00 75.12 C ATOM 1374 CE LYS A 89 7.326 -28.649 -6.247 1.00 63.12 C ATOM 1375 NZ LYS A 89 8.017 -27.889 -5.164 1.00 65.22 N ATOM 0 H LYS A 89 7.013 -26.228 -8.298 1.00 71.22 H new ATOM 0 HA LYS A 89 6.895 -27.480 -10.880 1.00 35.02 H new ATOM 0 HB2 LYS A 89 5.510 -28.098 -8.243 1.00 11.41 H new ATOM 0 HB3 LYS A 89 5.350 -29.078 -9.688 1.00 11.41 H new ATOM 0 HG2 LYS A 89 7.002 -30.225 -8.470 1.00 13.14 H new ATOM 0 HG3 LYS A 89 7.951 -29.298 -9.615 1.00 13.14 H new ATOM 0 HD2 LYS A 89 9.045 -29.096 -7.474 1.00 75.12 H new ATOM 0 HD3 LYS A 89 8.313 -27.541 -7.816 1.00 75.12 H new ATOM 0 HE2 LYS A 89 6.321 -28.249 -6.385 1.00 63.12 H new ATOM 0 HE3 LYS A 89 7.216 -29.690 -5.945 1.00 63.12 H new ATOM 0 HZ1 LYS A 89 7.467 -27.961 -4.284 1.00 65.22 H new ATOM 0 HZ2 LYS A 89 8.966 -28.286 -5.013 1.00 65.22 H new ATOM 0 HZ3 LYS A 89 8.099 -26.890 -5.439 1.00 65.22 H new ATOM 1389 N ILE A 90 4.889 -26.420 -11.889 1.00 14.23 N ATOM 1390 CA ILE A 90 3.685 -25.935 -12.605 1.00 21.34 C ATOM 1391 C ILE A 90 2.608 -27.039 -12.730 1.00 22.45 C ATOM 1392 O ILE A 90 1.595 -26.856 -13.417 1.00 32.22 O ATOM 1393 CB ILE A 90 4.089 -25.378 -14.026 1.00 31.05 C ATOM 1394 CG1 ILE A 90 4.833 -26.475 -14.861 1.00 45.01 C ATOM 1395 CG2 ILE A 90 4.946 -24.101 -13.887 1.00 2.32 C ATOM 1396 CD1 ILE A 90 5.377 -26.022 -16.218 1.00 35.24 C ATOM 0 H ILE A 90 5.666 -26.639 -12.513 1.00 14.23 H new ATOM 0 HA ILE A 90 3.248 -25.126 -12.020 1.00 21.34 H new ATOM 0 HB ILE A 90 3.179 -25.112 -14.563 1.00 31.05 H new ATOM 0 HG12 ILE A 90 5.663 -26.857 -14.267 1.00 45.01 H new ATOM 0 HG13 ILE A 90 4.149 -27.307 -15.024 1.00 45.01 H new ATOM 0 HG21 ILE A 90 5.214 -23.733 -14.877 1.00 2.32 H new ATOM 0 HG22 ILE A 90 4.377 -23.337 -13.358 1.00 2.32 H new ATOM 0 HG23 ILE A 90 5.853 -24.331 -13.328 1.00 2.32 H new ATOM 0 HD11 ILE A 90 5.872 -26.860 -16.710 1.00 35.24 H new ATOM 0 HD12 ILE A 90 4.554 -25.670 -16.841 1.00 35.24 H new ATOM 0 HD13 ILE A 90 6.093 -25.213 -16.071 1.00 35.24 H new ATOM 1408 N PHE A 91 2.850 -28.183 -12.060 1.00 33.14 N ATOM 1409 CA PHE A 91 1.883 -29.277 -11.925 1.00 55.04 C ATOM 1410 C PHE A 91 0.720 -28.832 -10.995 1.00 23.31 C ATOM 1411 O PHE A 91 0.795 -28.950 -9.766 1.00 61.21 O ATOM 1412 CB PHE A 91 2.597 -30.546 -11.390 1.00 22.35 C ATOM 1413 CG PHE A 91 3.732 -31.033 -12.288 1.00 10.23 C ATOM 1414 CD1 PHE A 91 3.460 -31.757 -13.444 1.00 33.22 C ATOM 1415 CD2 PHE A 91 5.065 -30.747 -11.988 1.00 1.01 C ATOM 1416 CE1 PHE A 91 4.479 -32.182 -14.272 1.00 20.04 C ATOM 1417 CE2 PHE A 91 6.084 -31.169 -12.815 1.00 74.24 C ATOM 1418 CZ PHE A 91 5.793 -31.886 -13.958 1.00 51.42 C ATOM 0 H PHE A 91 3.737 -28.370 -11.593 1.00 33.14 H new ATOM 0 HA PHE A 91 1.458 -29.522 -12.898 1.00 55.04 H new ATOM 0 HB2 PHE A 91 2.995 -30.338 -10.397 1.00 22.35 H new ATOM 0 HB3 PHE A 91 1.864 -31.345 -11.279 1.00 22.35 H new ATOM 0 HD1 PHE A 91 2.436 -31.990 -13.697 1.00 33.22 H new ATOM 0 HD2 PHE A 91 5.301 -30.187 -11.095 1.00 1.01 H new ATOM 0 HE1 PHE A 91 4.250 -32.745 -15.165 1.00 20.04 H new ATOM 0 HE2 PHE A 91 7.110 -30.939 -12.569 1.00 74.24 H new ATOM 0 HZ PHE A 91 6.591 -32.216 -14.607 1.00 51.42 H new ATOM 1428 N GLN A 92 -0.310 -28.252 -11.613 1.00 3.00 N ATOM 1429 CA GLN A 92 -1.486 -27.668 -10.930 1.00 32.42 C ATOM 1430 C GLN A 92 -2.770 -28.466 -11.251 1.00 33.32 C ATOM 1431 O GLN A 92 -3.885 -27.969 -11.021 1.00 22.52 O ATOM 1432 CB GLN A 92 -1.629 -26.184 -11.375 1.00 22.13 C ATOM 1433 CG GLN A 92 -1.629 -25.979 -12.908 1.00 52.43 C ATOM 1434 CD GLN A 92 -1.840 -24.520 -13.321 1.00 3.05 C ATOM 1435 OE1 GLN A 92 -0.893 -23.738 -13.421 1.00 33.03 O ATOM 1436 NE2 GLN A 92 -3.083 -24.147 -13.594 1.00 51.31 N ATOM 0 H GLN A 92 -0.359 -28.169 -12.628 1.00 3.00 H new ATOM 0 HA GLN A 92 -1.341 -27.716 -9.851 1.00 32.42 H new ATOM 0 HB2 GLN A 92 -2.556 -25.781 -10.966 1.00 22.13 H new ATOM 0 HB3 GLN A 92 -0.812 -25.606 -10.942 1.00 22.13 H new ATOM 0 HG2 GLN A 92 -0.682 -26.332 -13.315 1.00 52.43 H new ATOM 0 HG3 GLN A 92 -2.414 -26.592 -13.350 1.00 52.43 H new ATOM 0 HE21 GLN A 92 -3.848 -24.816 -13.503 1.00 51.31 H new ATOM 0 HE22 GLN A 92 -3.274 -23.192 -13.895 1.00 51.31 H new ATOM 1445 N LYS A 93 -2.582 -29.712 -11.743 1.00 33.50 N ATOM 1446 CA LYS A 93 -3.666 -30.589 -12.231 1.00 71.32 C ATOM 1447 C LYS A 93 -4.305 -29.966 -13.488 1.00 0.41 C ATOM 1448 O LYS A 93 -5.308 -29.245 -13.408 1.00 2.11 O ATOM 1449 CB LYS A 93 -4.726 -30.907 -11.117 1.00 4.21 C ATOM 1450 CG LYS A 93 -5.902 -31.815 -11.560 1.00 22.52 C ATOM 1451 CD LYS A 93 -6.977 -31.993 -10.458 1.00 41.51 C ATOM 1452 CE LYS A 93 -8.189 -32.811 -10.933 1.00 40.45 C ATOM 1453 NZ LYS A 93 -7.830 -34.210 -11.293 1.00 71.04 N ATOM 0 H LYS A 93 -1.659 -30.141 -11.812 1.00 33.50 H new ATOM 0 HA LYS A 93 -3.235 -31.553 -12.503 1.00 71.32 H new ATOM 0 HB2 LYS A 93 -4.216 -31.383 -10.279 1.00 4.21 H new ATOM 0 HB3 LYS A 93 -5.134 -29.966 -10.748 1.00 4.21 H new ATOM 0 HG2 LYS A 93 -6.368 -31.389 -12.449 1.00 22.52 H new ATOM 0 HG3 LYS A 93 -5.513 -32.793 -11.842 1.00 22.52 H new ATOM 0 HD2 LYS A 93 -6.528 -32.485 -9.595 1.00 41.51 H new ATOM 0 HD3 LYS A 93 -7.315 -31.012 -10.125 1.00 41.51 H new ATOM 0 HE2 LYS A 93 -8.944 -32.824 -10.147 1.00 40.45 H new ATOM 0 HE3 LYS A 93 -8.637 -32.321 -11.797 1.00 40.45 H new ATOM 0 HZ1 LYS A 93 -8.685 -34.722 -11.590 1.00 71.04 H new ATOM 0 HZ2 LYS A 93 -7.142 -34.202 -12.073 1.00 71.04 H new ATOM 0 HZ3 LYS A 93 -7.412 -34.684 -10.468 1.00 71.04 H new ATOM 1467 N GLU A 94 -3.672 -30.215 -14.647 1.00 34.11 N ATOM 1468 CA GLU A 94 -4.111 -29.671 -15.947 1.00 31.23 C ATOM 1469 C GLU A 94 -5.337 -30.465 -16.447 1.00 43.45 C ATOM 1470 O GLU A 94 -5.209 -31.401 -17.252 1.00 34.12 O ATOM 1471 CB GLU A 94 -2.951 -29.691 -16.998 1.00 22.30 C ATOM 1472 CG GLU A 94 -1.654 -28.932 -16.606 1.00 11.31 C ATOM 1473 CD GLU A 94 -0.807 -29.645 -15.535 1.00 42.15 C ATOM 1474 OE1 GLU A 94 -0.194 -30.688 -15.851 1.00 41.45 O ATOM 1475 OE2 GLU A 94 -0.784 -29.201 -14.371 1.00 71.44 O ATOM 0 H GLU A 94 -2.839 -30.800 -14.711 1.00 34.11 H new ATOM 0 HA GLU A 94 -4.396 -28.627 -15.814 1.00 31.23 H new ATOM 0 HB2 GLU A 94 -2.691 -30.730 -17.201 1.00 22.30 H new ATOM 0 HB3 GLU A 94 -3.326 -29.268 -17.930 1.00 22.30 H new ATOM 0 HG2 GLU A 94 -1.046 -28.789 -17.499 1.00 11.31 H new ATOM 0 HG3 GLU A 94 -1.922 -27.941 -16.241 1.00 11.31 H new ATOM 1482 N GLY A 95 -6.517 -30.107 -15.914 1.00 10.32 N ATOM 1483 CA GLY A 95 -7.759 -30.812 -16.196 1.00 63.40 C ATOM 1484 C GLY A 95 -8.317 -30.504 -17.585 1.00 20.51 C ATOM 1485 O GLY A 95 -8.700 -29.365 -17.870 1.00 1.33 O ATOM 0 H GLY A 95 -6.627 -29.319 -15.276 1.00 10.32 H new ATOM 0 HA2 GLY A 95 -7.589 -31.885 -16.108 1.00 63.40 H new ATOM 0 HA3 GLY A 95 -8.501 -30.544 -15.444 1.00 63.40 H new ATOM 1489 N GLU A 96 -8.346 -31.528 -18.451 1.00 24.13 N ATOM 1490 CA GLU A 96 -8.835 -31.427 -19.841 1.00 63.22 C ATOM 1491 C GLU A 96 -10.066 -32.334 -20.054 1.00 53.11 C ATOM 1492 O GLU A 96 -10.387 -32.714 -21.187 1.00 73.11 O ATOM 1493 CB GLU A 96 -7.686 -31.814 -20.809 1.00 34.42 C ATOM 1494 CG GLU A 96 -6.430 -30.923 -20.705 1.00 71.35 C ATOM 1495 CD GLU A 96 -5.279 -31.426 -21.570 1.00 25.14 C ATOM 1496 OE1 GLU A 96 -5.213 -31.062 -22.762 1.00 50.11 O ATOM 1497 OE2 GLU A 96 -4.454 -32.222 -21.080 1.00 63.54 O ATOM 0 H GLU A 96 -8.026 -32.465 -18.205 1.00 24.13 H new ATOM 0 HA GLU A 96 -9.146 -30.402 -20.044 1.00 63.22 H new ATOM 0 HB2 GLU A 96 -7.399 -32.848 -20.616 1.00 34.42 H new ATOM 0 HB3 GLU A 96 -8.061 -31.773 -21.832 1.00 34.42 H new ATOM 0 HG2 GLU A 96 -6.685 -29.906 -21.003 1.00 71.35 H new ATOM 0 HG3 GLU A 96 -6.106 -30.879 -19.665 1.00 71.35 H new ATOM 1504 N SER A 97 -10.793 -32.615 -18.963 1.00 3.14 N ATOM 1505 CA SER A 97 -11.979 -33.501 -18.975 1.00 42.04 C ATOM 1506 C SER A 97 -13.253 -32.792 -19.510 1.00 21.40 C ATOM 1507 O SER A 97 -14.347 -33.366 -19.467 1.00 24.25 O ATOM 1508 CB SER A 97 -12.217 -34.040 -17.544 1.00 2.24 C ATOM 1509 OG SER A 97 -11.129 -34.820 -17.086 1.00 53.31 O ATOM 0 H SER A 97 -10.579 -32.235 -18.041 1.00 3.14 H new ATOM 0 HA SER A 97 -11.777 -34.324 -19.660 1.00 42.04 H new ATOM 0 HB2 SER A 97 -12.376 -33.204 -16.863 1.00 2.24 H new ATOM 0 HB3 SER A 97 -13.126 -34.641 -17.529 1.00 2.24 H new ATOM 0 HG SER A 97 -11.315 -35.141 -16.179 1.00 53.31 H new ATOM 1515 N ILE A 98 -13.104 -31.555 -20.018 1.00 70.35 N ATOM 1516 CA ILE A 98 -14.222 -30.770 -20.585 1.00 63.51 C ATOM 1517 C ILE A 98 -14.116 -30.696 -22.127 1.00 32.42 C ATOM 1518 O ILE A 98 -13.014 -30.722 -22.692 1.00 52.30 O ATOM 1519 CB ILE A 98 -14.278 -29.317 -19.973 1.00 25.24 C ATOM 1520 CG1 ILE A 98 -12.981 -28.504 -20.286 1.00 32.40 C ATOM 1521 CG2 ILE A 98 -14.539 -29.377 -18.446 1.00 50.31 C ATOM 1522 CD1 ILE A 98 -12.985 -27.062 -19.787 1.00 52.53 C ATOM 0 H ILE A 98 -12.207 -31.070 -20.048 1.00 70.35 H new ATOM 0 HA ILE A 98 -15.147 -31.283 -20.321 1.00 63.51 H new ATOM 0 HB ILE A 98 -15.109 -28.793 -20.446 1.00 25.24 H new ATOM 0 HG12 ILE A 98 -12.130 -29.023 -19.844 1.00 32.40 H new ATOM 0 HG13 ILE A 98 -12.826 -28.498 -21.365 1.00 32.40 H new ATOM 0 HG21 ILE A 98 -14.574 -28.365 -18.043 1.00 50.31 H new ATOM 0 HG22 ILE A 98 -15.490 -29.875 -18.259 1.00 50.31 H new ATOM 0 HG23 ILE A 98 -13.737 -29.933 -17.961 1.00 50.31 H new ATOM 0 HD11 ILE A 98 -12.043 -26.582 -20.053 1.00 52.53 H new ATOM 0 HD12 ILE A 98 -13.811 -26.520 -20.248 1.00 52.53 H new ATOM 0 HD13 ILE A 98 -13.104 -27.052 -18.704 1.00 52.53 H new ATOM 1534 N LEU A 99 -15.283 -30.649 -22.787 1.00 52.23 N ATOM 1535 CA LEU A 99 -15.404 -30.395 -24.239 1.00 22.34 C ATOM 1536 C LEU A 99 -15.794 -28.927 -24.507 1.00 4.44 C ATOM 1537 O LEU A 99 -15.846 -28.491 -25.663 1.00 54.23 O ATOM 1538 CB LEU A 99 -16.405 -31.412 -24.886 1.00 45.03 C ATOM 1539 CG LEU A 99 -17.816 -31.600 -24.198 1.00 21.44 C ATOM 1540 CD1 LEU A 99 -18.784 -30.424 -24.456 1.00 24.21 C ATOM 1541 CD2 LEU A 99 -18.468 -32.941 -24.609 1.00 64.23 C ATOM 0 H LEU A 99 -16.182 -30.787 -22.326 1.00 52.23 H new ATOM 0 HA LEU A 99 -14.435 -30.552 -24.712 1.00 22.34 H new ATOM 0 HB2 LEU A 99 -16.574 -31.104 -25.918 1.00 45.03 H new ATOM 0 HB3 LEU A 99 -15.917 -32.386 -24.920 1.00 45.03 H new ATOM 0 HG LEU A 99 -17.624 -31.616 -23.125 1.00 21.44 H new ATOM 0 HD11 LEU A 99 -19.733 -30.617 -23.956 1.00 24.21 H new ATOM 0 HD12 LEU A 99 -18.350 -29.503 -24.067 1.00 24.21 H new ATOM 0 HD13 LEU A 99 -18.953 -30.321 -25.528 1.00 24.21 H new ATOM 0 HD21 LEU A 99 -19.437 -33.040 -24.119 1.00 64.23 H new ATOM 0 HD22 LEU A 99 -18.604 -32.963 -25.690 1.00 64.23 H new ATOM 0 HD23 LEU A 99 -17.823 -33.767 -24.308 1.00 64.23 H new ATOM 1553 N GLU A 100 -16.098 -28.185 -23.421 1.00 55.25 N ATOM 1554 CA GLU A 100 -16.415 -26.743 -23.465 1.00 4.25 C ATOM 1555 C GLU A 100 -15.132 -25.905 -23.698 1.00 11.41 C ATOM 1556 O GLU A 100 -14.253 -25.898 -22.812 1.00 2.03 O ATOM 1557 CB GLU A 100 -17.133 -26.306 -22.148 1.00 34.54 C ATOM 1558 CG GLU A 100 -18.590 -26.789 -22.011 1.00 2.01 C ATOM 1559 CD GLU A 100 -19.523 -26.213 -23.100 1.00 14.41 C ATOM 1560 OE1 GLU A 100 -19.816 -24.995 -23.059 1.00 71.01 O ATOM 1561 OE2 GLU A 100 -19.970 -26.968 -23.991 1.00 25.22 O ATOM 1562 OXT GLU A 100 -15.007 -25.261 -24.760 1.00 37.50 O ATOM 0 H GLU A 100 -16.130 -28.575 -22.479 1.00 55.25 H new ATOM 0 HA GLU A 100 -17.090 -26.562 -24.302 1.00 4.25 H new ATOM 0 HB2 GLU A 100 -16.561 -26.679 -21.299 1.00 34.54 H new ATOM 0 HB3 GLU A 100 -17.119 -25.218 -22.088 1.00 34.54 H new ATOM 0 HG2 GLU A 100 -18.612 -27.878 -22.060 1.00 2.01 H new ATOM 0 HG3 GLU A 100 -18.970 -26.507 -21.029 1.00 2.01 H new TER 1569 GLU A 100