USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 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 87 THR OG1 : rot -170:sc= 0.257 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -129:sc= 0.187 (180deg=0) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 29 ASN : amide:sc= -7.91! C(o=-7.9!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.181 (180deg=-0.183) USER MOD Single : A 4 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.66) USER MOD Single : A 7 ASN : amide:sc= -0.275 K(o=-0.27,f=-3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 80:sc= -1.54! USER MOD Single : A 19 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.39) USER MOD Single : A 20 GLN : amide:sc= -0.849! X(o=-0.85!,f=-1.2) USER MOD Single : A 24 TYR OH : rot 65:sc= -1.96! USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= -0.0643 (180deg=-0.872) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -3.54! C(o=-3.5!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= -0.127 (180deg=-1.01) USER MOD Single : A 52 MET CE :methyl -170:sc= -6.31! (180deg=-6.53!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.67) USER MOD Single : A 59 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.053) USER MOD Single : A 62 THR OG1 : rot -98:sc= -10.3! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.635 K(o=-0.63,f=-4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= -0.231 (180deg=-1.38!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.346 (180deg=-1.7!) USER MOD Single : A 80 MET CE :methyl 177:sc= -5.88! (180deg=-6.16!) USER MOD Single : A 83 SER OG : rot 43:sc= -3.32! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 27:sc= -1.12! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -118:sc= -0.0803 (180deg=-0.769) USER MOD Single : A 101 THR OG1 : rot 72:sc= 0.0362 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.727 -18.036 -1.578 1.00 0.00 N ATOM 2 CA MET A 1 -16.035 -18.921 -0.596 1.00 0.00 C ATOM 3 C MET A 1 -15.038 -19.833 -1.316 1.00 0.00 C ATOM 4 O MET A 1 -14.293 -20.565 -0.697 1.00 0.00 O ATOM 5 CB MET A 1 -17.150 -19.748 0.047 1.00 0.00 C ATOM 6 CG MET A 1 -17.409 -19.239 1.465 1.00 0.00 C ATOM 7 SD MET A 1 -15.946 -19.531 2.489 1.00 0.00 S ATOM 8 CE MET A 1 -16.650 -18.967 4.058 1.00 0.00 C ATOM 0 H1 MET A 1 -17.388 -17.410 -1.075 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.023 -17.461 -2.084 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.253 -18.619 -2.260 1.00 0.00 H new ATOM 0 HA MET A 1 -15.470 -18.354 0.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.060 -19.676 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.868 -20.801 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.644 -18.175 1.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.273 -19.748 1.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.903 -19.061 4.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.952 -17.924 3.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.519 -19.576 4.307 1.00 0.00 H new ATOM 20 N ALA A 2 -15.018 -19.792 -2.621 1.00 0.00 N ATOM 21 CA ALA A 2 -14.068 -20.656 -3.378 1.00 0.00 C ATOM 22 C ALA A 2 -12.765 -19.898 -3.650 1.00 0.00 C ATOM 23 O ALA A 2 -11.744 -20.164 -3.049 1.00 0.00 O ATOM 24 CB ALA A 2 -14.784 -20.978 -4.690 1.00 0.00 C ATOM 0 H ALA A 2 -15.617 -19.199 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.802 -21.558 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.147 -21.613 -5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.718 -21.498 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.998 -20.052 -5.224 1.00 0.00 H new ATOM 30 N GLU A 3 -12.794 -18.954 -4.552 1.00 0.00 N ATOM 31 CA GLU A 3 -11.558 -18.180 -4.860 1.00 0.00 C ATOM 32 C GLU A 3 -11.556 -16.858 -4.088 1.00 0.00 C ATOM 33 O GLU A 3 -10.524 -16.247 -3.887 1.00 0.00 O ATOM 34 CB GLU A 3 -11.618 -17.923 -6.367 1.00 0.00 C ATOM 35 CG GLU A 3 -12.751 -16.941 -6.672 1.00 0.00 C ATOM 36 CD GLU A 3 -13.287 -17.202 -8.081 1.00 0.00 C ATOM 37 OE1 GLU A 3 -12.480 -17.348 -8.983 1.00 0.00 O ATOM 38 OE2 GLU A 3 -14.497 -17.252 -8.232 1.00 0.00 O ATOM 0 H GLU A 3 -13.619 -18.686 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.652 -18.715 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.668 -17.518 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.781 -18.860 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.551 -17.054 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.389 -15.916 -6.593 1.00 0.00 H new ATOM 45 N ASN A 4 -12.703 -16.411 -3.656 1.00 0.00 N ATOM 46 CA ASN A 4 -12.766 -15.127 -2.897 1.00 0.00 C ATOM 47 C ASN A 4 -12.353 -15.355 -1.439 1.00 0.00 C ATOM 48 O ASN A 4 -11.246 -15.051 -1.043 1.00 0.00 O ATOM 49 CB ASN A 4 -14.228 -14.689 -2.979 1.00 0.00 C ATOM 50 CG ASN A 4 -14.329 -13.399 -3.794 1.00 0.00 C ATOM 51 OD1 ASN A 4 -13.511 -12.512 -3.655 1.00 0.00 O ATOM 52 ND2 ASN A 4 -15.307 -13.257 -4.648 1.00 0.00 N ATOM 0 H ASN A 4 -13.599 -16.878 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.092 -14.373 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -14.828 -15.472 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -14.628 -14.531 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.384 -12.401 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.994 -14.002 -4.765 1.00 0.00 H new ATOM 59 N GLY A 5 -13.236 -15.890 -0.640 1.00 0.00 N ATOM 60 CA GLY A 5 -12.892 -16.136 0.789 1.00 0.00 C ATOM 61 C GLY A 5 -13.558 -15.074 1.665 1.00 0.00 C ATOM 62 O GLY A 5 -14.172 -15.379 2.669 1.00 0.00 O ATOM 0 H GLY A 5 -14.179 -16.167 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.225 -17.130 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.811 -16.108 0.924 1.00 0.00 H new ATOM 66 N ASP A 6 -13.442 -13.829 1.295 1.00 0.00 N ATOM 67 CA ASP A 6 -14.067 -12.746 2.108 1.00 0.00 C ATOM 68 C ASP A 6 -13.808 -11.382 1.461 1.00 0.00 C ATOM 69 O ASP A 6 -12.785 -11.163 0.844 1.00 0.00 O ATOM 70 CB ASP A 6 -13.385 -12.830 3.473 1.00 0.00 C ATOM 71 CG ASP A 6 -14.446 -12.935 4.570 1.00 0.00 C ATOM 72 OD1 ASP A 6 -15.485 -12.313 4.422 1.00 0.00 O ATOM 73 OD2 ASP A 6 -14.200 -13.634 5.540 1.00 0.00 O ATOM 0 H ASP A 6 -12.941 -13.514 0.464 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.148 -12.860 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.724 -13.696 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.765 -11.949 3.636 1.00 0.00 H new ATOM 78 N ASN A 7 -14.727 -10.466 1.597 1.00 0.00 N ATOM 79 CA ASN A 7 -14.530 -9.119 0.989 1.00 0.00 C ATOM 80 C ASN A 7 -14.600 -8.035 2.068 1.00 0.00 C ATOM 81 O ASN A 7 -14.058 -6.959 1.916 1.00 0.00 O ATOM 82 CB ASN A 7 -15.681 -8.961 -0.006 1.00 0.00 C ATOM 83 CG ASN A 7 -15.177 -9.259 -1.419 1.00 0.00 C ATOM 84 OD1 ASN A 7 -14.013 -9.550 -1.614 1.00 0.00 O ATOM 85 ND2 ASN A 7 -16.010 -9.199 -2.422 1.00 0.00 N ATOM 0 H ASN A 7 -15.604 -10.591 2.102 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.558 -9.023 0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.495 -9.639 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.082 -7.949 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.684 -9.396 -3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.987 -8.955 -2.260 1.00 0.00 H new ATOM 92 N GLU A 8 -15.260 -8.312 3.159 1.00 0.00 N ATOM 93 CA GLU A 8 -15.361 -7.297 4.248 1.00 0.00 C ATOM 94 C GLU A 8 -13.970 -6.987 4.809 1.00 0.00 C ATOM 95 O GLU A 8 -13.574 -5.844 4.916 1.00 0.00 O ATOM 96 CB GLU A 8 -16.238 -7.949 5.318 1.00 0.00 C ATOM 97 CG GLU A 8 -17.399 -7.015 5.664 1.00 0.00 C ATOM 98 CD GLU A 8 -18.350 -6.918 4.469 1.00 0.00 C ATOM 99 OE1 GLU A 8 -18.150 -7.654 3.517 1.00 0.00 O ATOM 100 OE2 GLU A 8 -19.261 -6.109 4.526 1.00 0.00 O ATOM 0 H GLU A 8 -15.734 -9.196 3.344 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.781 -6.354 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.620 -8.904 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.647 -8.158 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.933 -7.389 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.020 -6.026 5.922 1.00 0.00 H new ATOM 107 N LYS A 9 -13.226 -7.998 5.166 1.00 0.00 N ATOM 108 CA LYS A 9 -11.861 -7.763 5.718 1.00 0.00 C ATOM 109 C LYS A 9 -10.976 -7.088 4.666 1.00 0.00 C ATOM 110 O LYS A 9 -10.072 -6.342 4.987 1.00 0.00 O ATOM 111 CB LYS A 9 -11.328 -9.157 6.057 1.00 0.00 C ATOM 112 CG LYS A 9 -9.805 -9.107 6.192 1.00 0.00 C ATOM 113 CD LYS A 9 -9.275 -10.506 6.514 1.00 0.00 C ATOM 114 CE LYS A 9 -8.790 -11.178 5.227 1.00 0.00 C ATOM 115 NZ LYS A 9 -7.324 -10.920 5.189 1.00 0.00 N ATOM 0 H LYS A 9 -13.504 -8.977 5.099 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.872 -7.108 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.774 -9.511 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.611 -9.865 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.359 -8.742 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.522 -8.409 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.458 -10.440 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.059 -11.106 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.003 -12.247 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.287 -10.760 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.918 -11.350 4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.152 -9.894 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.877 -11.335 6.031 1.00 0.00 H new ATOM 129 N MET A 10 -11.226 -7.348 3.412 1.00 0.00 N ATOM 130 CA MET A 10 -10.400 -6.726 2.340 1.00 0.00 C ATOM 131 C MET A 10 -10.481 -5.200 2.420 1.00 0.00 C ATOM 132 O MET A 10 -9.518 -4.504 2.180 1.00 0.00 O ATOM 133 CB MET A 10 -11.010 -7.226 1.030 1.00 0.00 C ATOM 134 CG MET A 10 -9.916 -7.839 0.156 1.00 0.00 C ATOM 135 SD MET A 10 -10.484 -7.906 -1.561 1.00 0.00 S ATOM 136 CE MET A 10 -9.468 -9.311 -2.081 1.00 0.00 C ATOM 0 H MET A 10 -11.968 -7.966 3.083 1.00 0.00 H new ATOM 0 HA MET A 10 -9.346 -6.990 2.429 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.782 -7.967 1.236 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.491 -6.402 0.503 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.004 -7.246 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.672 -8.841 0.509 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.662 -9.531 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.414 -9.066 -1.950 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.716 -10.183 -1.476 1.00 0.00 H new ATOM 146 N ALA A 11 -11.625 -4.680 2.754 1.00 0.00 N ATOM 147 CA ALA A 11 -11.774 -3.198 2.848 1.00 0.00 C ATOM 148 C ALA A 11 -10.782 -2.636 3.868 1.00 0.00 C ATOM 149 O ALA A 11 -10.090 -1.670 3.610 1.00 0.00 O ATOM 150 CB ALA A 11 -13.212 -2.972 3.315 1.00 0.00 C ATOM 0 H ALA A 11 -12.467 -5.215 2.967 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.573 -2.700 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.400 -1.902 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.902 -3.400 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.360 -3.453 4.282 1.00 0.00 H new ATOM 156 N ALA A 12 -10.702 -3.236 5.022 1.00 0.00 N ATOM 157 CA ALA A 12 -9.750 -2.740 6.056 1.00 0.00 C ATOM 158 C ALA A 12 -8.311 -3.036 5.627 1.00 0.00 C ATOM 159 O ALA A 12 -7.397 -2.295 5.930 1.00 0.00 O ATOM 160 CB ALA A 12 -10.101 -3.518 7.325 1.00 0.00 C ATOM 0 H ALA A 12 -11.255 -4.049 5.295 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.825 -1.663 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.441 -3.208 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.136 -3.315 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.976 -4.586 7.143 1.00 0.00 H new ATOM 166 N LEU A 13 -8.103 -4.118 4.927 1.00 0.00 N ATOM 167 CA LEU A 13 -6.723 -4.469 4.484 1.00 0.00 C ATOM 168 C LEU A 13 -6.144 -3.360 3.599 1.00 0.00 C ATOM 169 O LEU A 13 -5.008 -2.959 3.758 1.00 0.00 O ATOM 170 CB LEU A 13 -6.885 -5.760 3.683 1.00 0.00 C ATOM 171 CG LEU A 13 -5.521 -6.215 3.164 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.028 -7.402 3.994 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.649 -6.637 1.698 1.00 0.00 C ATOM 0 H LEU A 13 -8.830 -4.775 4.642 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.040 -4.588 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.324 -6.536 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.568 -5.599 2.849 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.809 -5.394 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.055 -7.726 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.937 -7.103 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.740 -8.224 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.677 -6.962 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.361 -7.458 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.000 -5.792 1.105 1.00 0.00 H new ATOM 185 N GLU A 14 -6.913 -2.858 2.672 1.00 0.00 N ATOM 186 CA GLU A 14 -6.393 -1.771 1.789 1.00 0.00 C ATOM 187 C GLU A 14 -6.206 -0.488 2.597 1.00 0.00 C ATOM 188 O GLU A 14 -5.196 0.180 2.504 1.00 0.00 O ATOM 189 CB GLU A 14 -7.458 -1.571 0.708 1.00 0.00 C ATOM 190 CG GLU A 14 -7.928 -2.930 0.190 1.00 0.00 C ATOM 191 CD GLU A 14 -6.813 -3.585 -0.626 1.00 0.00 C ATOM 192 OE1 GLU A 14 -5.966 -4.226 -0.026 1.00 0.00 O ATOM 193 OE2 GLU A 14 -6.824 -3.435 -1.837 1.00 0.00 O ATOM 0 H GLU A 14 -7.873 -3.150 2.487 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.426 -2.026 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.302 -1.014 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.051 -0.979 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.205 -3.572 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.818 -2.807 -0.426 1.00 0.00 H new ATOM 200 N ALA A 15 -7.182 -0.142 3.387 1.00 0.00 N ATOM 201 CA ALA A 15 -7.084 1.096 4.207 1.00 0.00 C ATOM 202 C ALA A 15 -5.856 1.034 5.122 1.00 0.00 C ATOM 203 O ALA A 15 -5.165 2.013 5.318 1.00 0.00 O ATOM 204 CB ALA A 15 -8.370 1.109 5.030 1.00 0.00 C ATOM 0 H ALA A 15 -8.049 -0.667 3.501 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.973 1.994 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.384 1.992 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.230 1.131 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.415 0.213 5.649 1.00 0.00 H new ATOM 210 N LYS A 16 -5.580 -0.113 5.681 1.00 0.00 N ATOM 211 CA LYS A 16 -4.399 -0.242 6.581 1.00 0.00 C ATOM 212 C LYS A 16 -3.102 -0.124 5.774 1.00 0.00 C ATOM 213 O LYS A 16 -2.141 0.479 6.208 1.00 0.00 O ATOM 214 CB LYS A 16 -4.522 -1.636 7.196 1.00 0.00 C ATOM 215 CG LYS A 16 -4.727 -1.512 8.708 1.00 0.00 C ATOM 216 CD LYS A 16 -6.216 -1.655 9.034 1.00 0.00 C ATOM 217 CE LYS A 16 -6.566 -0.751 10.218 1.00 0.00 C ATOM 218 NZ LYS A 16 -8.055 -0.731 10.257 1.00 0.00 N ATOM 0 H LYS A 16 -6.122 -0.967 5.553 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.372 0.539 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.360 -2.170 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.624 -2.218 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.154 -2.280 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.358 -0.548 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.817 -1.385 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.449 -2.693 9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.151 -1.140 11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.161 0.252 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.374 -0.131 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.421 -0.350 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.412 -1.698 10.393 1.00 0.00 H new ATOM 232 N ILE A 17 -3.070 -0.700 4.605 1.00 0.00 N ATOM 233 CA ILE A 17 -1.837 -0.628 3.770 1.00 0.00 C ATOM 234 C ILE A 17 -1.514 0.826 3.418 1.00 0.00 C ATOM 235 O ILE A 17 -0.374 1.246 3.460 1.00 0.00 O ATOM 236 CB ILE A 17 -2.173 -1.423 2.509 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.183 -2.917 2.840 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.123 -1.144 1.432 1.00 0.00 C ATOM 239 CD1 ILE A 17 -2.689 -3.705 1.630 1.00 0.00 C ATOM 0 H ILE A 17 -3.845 -1.218 4.191 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.964 -1.026 4.287 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.155 -1.124 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.180 -3.247 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.822 -3.105 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.364 -1.712 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.116 -0.079 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.140 -1.442 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.696 -4.769 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.700 -3.382 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.032 -3.526 0.779 1.00 0.00 H new ATOM 251 N CYS A 18 -2.506 1.599 3.070 1.00 0.00 N ATOM 252 CA CYS A 18 -2.248 3.026 2.715 1.00 0.00 C ATOM 253 C CYS A 18 -1.697 3.779 3.929 1.00 0.00 C ATOM 254 O CYS A 18 -0.744 4.526 3.829 1.00 0.00 O ATOM 255 CB CYS A 18 -3.613 3.584 2.309 1.00 0.00 C ATOM 256 SG CYS A 18 -4.390 2.470 1.113 1.00 0.00 S ATOM 0 H CYS A 18 -3.482 1.307 3.016 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.513 3.129 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.249 3.692 3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.497 4.577 1.875 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.929 1.467 1.741 1.00 0.00 H new ATOM 262 N HIS A 19 -2.288 3.584 5.076 1.00 0.00 N ATOM 263 CA HIS A 19 -1.799 4.281 6.301 1.00 0.00 C ATOM 264 C HIS A 19 -0.330 3.938 6.552 1.00 0.00 C ATOM 265 O HIS A 19 0.441 4.761 7.004 1.00 0.00 O ATOM 266 CB HIS A 19 -2.677 3.760 7.438 1.00 0.00 C ATOM 267 CG HIS A 19 -4.086 4.251 7.251 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.383 5.368 6.486 1.00 0.00 N ATOM 269 CD2 HIS A 19 -5.289 3.787 7.721 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.718 5.538 6.520 1.00 0.00 C ATOM 271 NE2 HIS A 19 -6.318 4.602 7.259 1.00 0.00 N ATOM 0 H HIS A 19 -3.090 2.971 5.219 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.860 5.365 6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.660 2.670 7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.287 4.100 8.397 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.418 2.921 8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.240 6.335 6.011 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.316 4.505 7.445 1.00 0.00 H new ATOM 279 N GLN A 20 0.068 2.728 6.267 1.00 0.00 N ATOM 280 CA GLN A 20 1.489 2.348 6.496 1.00 0.00 C ATOM 281 C GLN A 20 2.392 3.211 5.614 1.00 0.00 C ATOM 282 O GLN A 20 3.353 3.793 6.078 1.00 0.00 O ATOM 283 CB GLN A 20 1.580 0.878 6.087 1.00 0.00 C ATOM 284 CG GLN A 20 0.935 0.006 7.165 1.00 0.00 C ATOM 285 CD GLN A 20 1.879 -0.109 8.362 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.825 0.695 9.272 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.748 -1.081 8.403 1.00 0.00 N ATOM 0 H GLN A 20 -0.526 1.991 5.888 1.00 0.00 H new ATOM 0 HA GLN A 20 1.804 2.495 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.078 0.724 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.623 0.592 5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.015 0.440 7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.717 -0.984 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.794 -1.756 7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.381 -1.166 9.198 1.00 0.00 H new ATOM 296 N ILE A 21 2.075 3.324 4.353 1.00 0.00 N ATOM 297 CA ILE A 21 2.907 4.175 3.461 1.00 0.00 C ATOM 298 C ILE A 21 2.929 5.596 4.019 1.00 0.00 C ATOM 299 O ILE A 21 3.922 6.292 3.956 1.00 0.00 O ATOM 300 CB ILE A 21 2.211 4.139 2.102 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.176 2.699 1.585 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.985 5.014 1.117 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.601 2.233 1.281 1.00 0.00 C ATOM 0 H ILE A 21 1.281 2.866 3.906 1.00 0.00 H new ATOM 0 HA ILE A 21 3.938 3.830 3.383 1.00 0.00 H new ATOM 0 HB ILE A 21 1.192 4.513 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.719 2.045 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.562 2.639 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.492 4.992 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.014 6.039 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.002 4.636 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.578 1.207 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.042 2.881 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.200 2.278 2.190 1.00 0.00 H new ATOM 315 N GLU A 22 1.831 6.017 4.582 1.00 0.00 N ATOM 316 CA GLU A 22 1.761 7.380 5.172 1.00 0.00 C ATOM 317 C GLU A 22 2.808 7.527 6.280 1.00 0.00 C ATOM 318 O GLU A 22 3.367 8.585 6.487 1.00 0.00 O ATOM 319 CB GLU A 22 0.351 7.486 5.753 1.00 0.00 C ATOM 320 CG GLU A 22 -0.225 8.871 5.451 1.00 0.00 C ATOM 321 CD GLU A 22 -0.077 9.766 6.682 1.00 0.00 C ATOM 322 OE1 GLU A 22 1.045 10.139 6.988 1.00 0.00 O ATOM 323 OE2 GLU A 22 -1.086 10.063 7.300 1.00 0.00 O ATOM 0 H GLU A 22 0.973 5.470 4.659 1.00 0.00 H new ATOM 0 HA GLU A 22 1.960 8.161 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.289 6.714 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.377 7.318 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.294 9.315 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.276 8.787 5.174 1.00 0.00 H new ATOM 330 N TYR A 23 3.062 6.474 7.009 1.00 0.00 N ATOM 331 CA TYR A 23 4.055 6.551 8.120 1.00 0.00 C ATOM 332 C TYR A 23 5.471 6.830 7.592 1.00 0.00 C ATOM 333 O TYR A 23 6.181 7.654 8.134 1.00 0.00 O ATOM 334 CB TYR A 23 3.982 5.178 8.799 1.00 0.00 C ATOM 335 CG TYR A 23 5.335 4.801 9.360 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.105 5.749 10.045 1.00 0.00 C ATOM 337 CD2 TYR A 23 5.820 3.499 9.189 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.358 5.395 10.558 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.073 3.144 9.702 1.00 0.00 C ATOM 340 CZ TYR A 23 7.842 4.093 10.386 1.00 0.00 C ATOM 341 OH TYR A 23 9.078 3.744 10.891 1.00 0.00 O ATOM 0 H TYR A 23 2.624 5.562 6.883 1.00 0.00 H new ATOM 0 HA TYR A 23 3.833 7.367 8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.241 5.198 9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.655 4.426 8.081 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.732 6.754 10.177 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.227 2.768 8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.951 6.126 11.087 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.446 2.139 9.570 1.00 0.00 H new ATOM 0 HH TYR A 23 9.262 2.804 10.685 1.00 0.00 H new ATOM 351 N TYR A 24 5.901 6.162 6.553 1.00 0.00 N ATOM 352 CA TYR A 24 7.285 6.431 6.044 1.00 0.00 C ATOM 353 C TYR A 24 7.320 7.725 5.233 1.00 0.00 C ATOM 354 O TYR A 24 8.263 8.487 5.305 1.00 0.00 O ATOM 355 CB TYR A 24 7.681 5.260 5.138 1.00 0.00 C ATOM 356 CG TYR A 24 6.883 4.029 5.464 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.210 3.249 6.577 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.823 3.661 4.637 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.467 2.097 6.862 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.084 2.512 4.916 1.00 0.00 C ATOM 361 CZ TYR A 24 5.404 1.728 6.030 1.00 0.00 C ATOM 362 OH TYR A 24 4.673 0.591 6.307 1.00 0.00 O ATOM 0 H TYR A 24 5.370 5.457 6.042 1.00 0.00 H new ATOM 0 HA TYR A 24 7.973 6.534 6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.523 5.534 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.744 5.049 5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.033 3.534 7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.574 4.267 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.714 1.494 7.723 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.265 2.227 4.272 1.00 0.00 H new ATOM 0 HH TYR A 24 4.204 0.703 7.160 1.00 0.00 H new ATOM 372 N PHE A 25 6.318 7.968 4.435 1.00 0.00 N ATOM 373 CA PHE A 25 6.331 9.206 3.599 1.00 0.00 C ATOM 374 C PHE A 25 5.564 10.348 4.271 1.00 0.00 C ATOM 375 O PHE A 25 5.775 11.500 3.956 1.00 0.00 O ATOM 376 CB PHE A 25 5.639 8.804 2.297 1.00 0.00 C ATOM 377 CG PHE A 25 6.535 7.879 1.509 1.00 0.00 C ATOM 378 CD1 PHE A 25 6.729 6.560 1.936 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.171 8.339 0.349 1.00 0.00 C ATOM 380 CE1 PHE A 25 7.558 5.702 1.204 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.000 7.481 -0.383 1.00 0.00 C ATOM 382 CZ PHE A 25 8.193 6.162 0.044 1.00 0.00 C ATOM 0 H PHE A 25 5.498 7.372 4.324 1.00 0.00 H new ATOM 0 HA PHE A 25 7.346 9.571 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.692 8.310 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.408 9.691 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.239 6.204 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.022 9.356 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.708 4.685 1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.491 7.837 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.832 5.499 -0.521 1.00 0.00 H new ATOM 392 N GLY A 26 4.652 10.046 5.155 1.00 0.00 N ATOM 393 CA GLY A 26 3.841 11.117 5.818 1.00 0.00 C ATOM 394 C GLY A 26 4.728 12.231 6.393 1.00 0.00 C ATOM 395 O GLY A 26 4.509 12.701 7.491 1.00 0.00 O ATOM 0 H GLY A 26 4.430 9.096 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.144 11.543 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.244 10.678 6.618 1.00 0.00 H new ATOM 399 N ASP A 27 5.706 12.678 5.658 1.00 0.00 N ATOM 400 CA ASP A 27 6.584 13.781 6.149 1.00 0.00 C ATOM 401 C ASP A 27 7.279 13.428 7.472 1.00 0.00 C ATOM 402 O ASP A 27 8.228 14.075 7.860 1.00 0.00 O ATOM 403 CB ASP A 27 5.639 14.965 6.351 1.00 0.00 C ATOM 404 CG ASP A 27 6.155 16.172 5.568 1.00 0.00 C ATOM 405 OD1 ASP A 27 6.892 15.966 4.618 1.00 0.00 O ATOM 406 OD2 ASP A 27 5.805 17.284 5.931 1.00 0.00 O ATOM 0 H ASP A 27 5.939 12.325 4.730 1.00 0.00 H new ATOM 0 HA ASP A 27 7.387 13.988 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.635 14.703 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.568 15.210 7.411 1.00 0.00 H new ATOM 411 N PHE A 28 6.823 12.430 8.180 1.00 0.00 N ATOM 412 CA PHE A 28 7.484 12.092 9.473 1.00 0.00 C ATOM 413 C PHE A 28 8.755 11.272 9.242 1.00 0.00 C ATOM 414 O PHE A 28 9.796 11.551 9.803 1.00 0.00 O ATOM 415 CB PHE A 28 6.450 11.271 10.244 1.00 0.00 C ATOM 416 CG PHE A 28 7.035 10.842 11.569 1.00 0.00 C ATOM 417 CD1 PHE A 28 7.883 9.731 11.633 1.00 0.00 C ATOM 418 CD2 PHE A 28 6.729 11.558 12.732 1.00 0.00 C ATOM 419 CE1 PHE A 28 8.425 9.333 12.861 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.272 11.161 13.961 1.00 0.00 C ATOM 421 CZ PHE A 28 8.119 10.049 14.025 1.00 0.00 C ATOM 0 H PHE A 28 6.031 11.841 7.923 1.00 0.00 H new ATOM 0 HA PHE A 28 7.789 12.986 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.548 11.862 10.406 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.158 10.396 9.663 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.120 9.180 10.735 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.075 12.416 12.682 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.078 8.475 12.911 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.037 11.713 14.859 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.537 9.743 14.973 1.00 0.00 H new ATOM 431 N ASN A 29 8.669 10.248 8.444 1.00 0.00 N ATOM 432 CA ASN A 29 9.862 9.385 8.192 1.00 0.00 C ATOM 433 C ASN A 29 10.846 10.023 7.200 1.00 0.00 C ATOM 434 O ASN A 29 12.038 9.823 7.291 1.00 0.00 O ATOM 435 CB ASN A 29 9.285 8.097 7.612 1.00 0.00 C ATOM 436 CG ASN A 29 9.483 6.955 8.610 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.430 7.161 9.806 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.710 5.749 8.165 1.00 0.00 N ATOM 0 H ASN A 29 7.821 9.967 7.951 1.00 0.00 H new ATOM 0 HA ASN A 29 10.434 9.226 9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.224 8.226 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.776 7.859 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.843 4.980 8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.755 5.576 7.161 1.00 0.00 H new ATOM 445 N LEU A 30 10.363 10.750 6.232 1.00 0.00 N ATOM 446 CA LEU A 30 11.282 11.350 5.213 1.00 0.00 C ATOM 447 C LEU A 30 12.347 12.255 5.853 1.00 0.00 C ATOM 448 O LEU A 30 13.486 12.256 5.426 1.00 0.00 O ATOM 449 CB LEU A 30 10.373 12.167 4.295 1.00 0.00 C ATOM 450 CG LEU A 30 9.341 11.245 3.646 1.00 0.00 C ATOM 451 CD1 LEU A 30 8.188 12.081 3.088 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.002 10.466 2.505 1.00 0.00 C ATOM 0 H LEU A 30 9.373 10.957 6.099 1.00 0.00 H new ATOM 0 HA LEU A 30 11.835 10.575 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.870 12.948 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.966 12.664 3.527 1.00 0.00 H new ATOM 0 HG LEU A 30 8.957 10.548 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.452 11.423 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.718 12.639 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.571 12.778 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.268 9.808 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.385 11.165 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.825 9.870 2.900 1.00 0.00 H new ATOM 464 N PRO A 31 11.951 13.001 6.844 1.00 0.00 N ATOM 465 CA PRO A 31 12.898 13.922 7.524 1.00 0.00 C ATOM 466 C PRO A 31 14.091 13.163 8.121 1.00 0.00 C ATOM 467 O PRO A 31 15.126 13.741 8.387 1.00 0.00 O ATOM 468 CB PRO A 31 12.067 14.561 8.637 1.00 0.00 C ATOM 469 CG PRO A 31 10.638 14.296 8.282 1.00 0.00 C ATOM 470 CD PRO A 31 10.607 13.067 7.414 1.00 0.00 C ATOM 0 HA PRO A 31 13.321 14.652 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.315 14.130 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.261 15.631 8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.041 14.145 9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.210 15.148 7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.376 12.174 7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.847 13.147 6.636 1.00 0.00 H new ATOM 478 N ARG A 32 13.964 11.882 8.349 1.00 0.00 N ATOM 479 CA ARG A 32 15.109 11.128 8.944 1.00 0.00 C ATOM 480 C ARG A 32 15.241 9.727 8.330 1.00 0.00 C ATOM 481 O ARG A 32 16.185 9.014 8.601 1.00 0.00 O ATOM 482 CB ARG A 32 14.778 11.026 10.432 1.00 0.00 C ATOM 483 CG ARG A 32 15.306 12.264 11.159 1.00 0.00 C ATOM 484 CD ARG A 32 16.480 11.869 12.056 1.00 0.00 C ATOM 485 NE ARG A 32 17.456 12.985 11.925 1.00 0.00 N ATOM 486 CZ ARG A 32 18.509 13.028 12.696 1.00 0.00 C ATOM 487 NH1 ARG A 32 18.708 12.092 13.584 1.00 0.00 N ATOM 488 NH2 ARG A 32 19.363 14.008 12.579 1.00 0.00 N ATOM 0 H ARG A 32 13.129 11.330 8.152 1.00 0.00 H new ATOM 0 HA ARG A 32 16.058 11.630 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.700 10.942 10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.225 10.126 10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.624 13.015 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.513 12.713 11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.161 11.743 13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.918 10.922 11.739 1.00 0.00 H new ATOM 0 HE ARG A 32 17.302 13.717 11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.041 11.326 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.531 12.127 14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.208 14.740 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.186 14.042 13.181 1.00 0.00 H new ATOM 502 N ASP A 33 14.300 9.315 7.528 1.00 0.00 N ATOM 503 CA ASP A 33 14.380 7.950 6.929 1.00 0.00 C ATOM 504 C ASP A 33 15.626 7.808 6.050 1.00 0.00 C ATOM 505 O ASP A 33 15.683 8.315 4.948 1.00 0.00 O ATOM 506 CB ASP A 33 13.116 7.814 6.081 1.00 0.00 C ATOM 507 CG ASP A 33 11.996 7.218 6.934 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.893 7.598 8.089 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.262 6.391 6.420 1.00 0.00 O ATOM 0 H ASP A 33 13.481 9.861 7.261 1.00 0.00 H new ATOM 0 HA ASP A 33 14.451 7.178 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.816 8.789 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.310 7.177 5.218 1.00 0.00 H new ATOM 514 N LYS A 34 16.620 7.112 6.533 1.00 0.00 N ATOM 515 CA LYS A 34 17.862 6.922 5.726 1.00 0.00 C ATOM 516 C LYS A 34 17.596 5.926 4.598 1.00 0.00 C ATOM 517 O LYS A 34 17.969 6.138 3.462 1.00 0.00 O ATOM 518 CB LYS A 34 18.902 6.354 6.697 1.00 0.00 C ATOM 519 CG LYS A 34 18.740 7.005 8.070 1.00 0.00 C ATOM 520 CD LYS A 34 18.697 8.526 7.912 1.00 0.00 C ATOM 521 CE LYS A 34 18.644 9.182 9.293 1.00 0.00 C ATOM 522 NZ LYS A 34 19.993 8.950 9.880 1.00 0.00 N ATOM 0 H LYS A 34 16.627 6.667 7.451 1.00 0.00 H new ATOM 0 HA LYS A 34 18.202 7.853 5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.783 5.274 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.907 6.535 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.825 6.652 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.567 6.719 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.576 8.871 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.825 8.817 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.424 10.247 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.863 8.739 9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.222 9.721 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.998 8.044 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.702 8.923 9.120 1.00 0.00 H new ATOM 536 N PHE A 35 16.948 4.843 4.914 1.00 0.00 N ATOM 537 CA PHE A 35 16.647 3.821 3.869 1.00 0.00 C ATOM 538 C PHE A 35 15.680 4.403 2.836 1.00 0.00 C ATOM 539 O PHE A 35 15.839 4.217 1.646 1.00 0.00 O ATOM 540 CB PHE A 35 15.998 2.659 4.622 1.00 0.00 C ATOM 541 CG PHE A 35 14.702 3.117 5.245 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.512 3.056 4.510 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.689 3.600 6.559 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.310 3.479 5.088 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.486 4.022 7.138 1.00 0.00 C ATOM 546 CZ PHE A 35 12.297 3.962 6.402 1.00 0.00 C ATOM 0 H PHE A 35 16.612 4.618 5.850 1.00 0.00 H new ATOM 0 HA PHE A 35 17.539 3.502 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.812 1.830 3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.674 2.291 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.522 2.682 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.607 3.647 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.392 3.433 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.476 4.394 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.369 4.288 6.848 1.00 0.00 H new ATOM 556 N LEU A 36 14.683 5.116 3.283 1.00 0.00 N ATOM 557 CA LEU A 36 13.712 5.722 2.330 1.00 0.00 C ATOM 558 C LEU A 36 14.393 6.843 1.544 1.00 0.00 C ATOM 559 O LEU A 36 14.131 7.048 0.376 1.00 0.00 O ATOM 560 CB LEU A 36 12.590 6.284 3.203 1.00 0.00 C ATOM 561 CG LEU A 36 11.254 6.153 2.471 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.409 6.636 1.026 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.811 4.687 2.474 1.00 0.00 C ATOM 0 H LEU A 36 14.499 5.305 4.268 1.00 0.00 H new ATOM 0 HA LEU A 36 13.334 5.001 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.550 5.748 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.787 7.330 3.436 1.00 0.00 H new ATOM 0 HG LEU A 36 10.504 6.761 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.455 6.542 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.722 7.680 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.160 6.031 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.859 4.594 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.562 4.079 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.697 4.344 3.502 1.00 0.00 H new ATOM 575 N LYS A 37 15.278 7.563 2.177 1.00 0.00 N ATOM 576 CA LYS A 37 15.987 8.664 1.469 1.00 0.00 C ATOM 577 C LYS A 37 16.850 8.087 0.345 1.00 0.00 C ATOM 578 O LYS A 37 17.118 8.737 -0.646 1.00 0.00 O ATOM 579 CB LYS A 37 16.862 9.325 2.534 1.00 0.00 C ATOM 580 CG LYS A 37 16.195 10.615 3.012 1.00 0.00 C ATOM 581 CD LYS A 37 15.972 11.546 1.819 1.00 0.00 C ATOM 582 CE LYS A 37 16.290 12.986 2.227 1.00 0.00 C ATOM 583 NZ LYS A 37 15.307 13.822 1.484 1.00 0.00 N ATOM 0 H LYS A 37 15.540 7.436 3.154 1.00 0.00 H new ATOM 0 HA LYS A 37 15.300 9.377 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.008 8.645 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.849 9.543 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.243 10.388 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.820 11.106 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.607 11.245 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.940 11.474 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.190 13.122 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.314 13.254 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.462 14.825 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.430 13.676 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.342 13.549 1.759 1.00 0.00 H new ATOM 597 N GLU A 38 17.282 6.863 0.492 1.00 0.00 N ATOM 598 CA GLU A 38 18.122 6.234 -0.566 1.00 0.00 C ATOM 599 C GLU A 38 17.270 5.935 -1.802 1.00 0.00 C ATOM 600 O GLU A 38 17.634 6.261 -2.914 1.00 0.00 O ATOM 601 CB GLU A 38 18.640 4.938 0.056 1.00 0.00 C ATOM 602 CG GLU A 38 19.997 4.585 -0.556 1.00 0.00 C ATOM 603 CD GLU A 38 21.068 4.599 0.535 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.902 5.337 1.492 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.038 3.872 0.396 1.00 0.00 O ATOM 0 H GLU A 38 17.089 6.272 1.300 1.00 0.00 H new ATOM 0 HA GLU A 38 18.937 6.882 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.735 5.053 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.930 4.130 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.952 3.601 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.251 5.299 -1.339 1.00 0.00 H new ATOM 612 N GLN A 39 16.134 5.317 -1.615 1.00 0.00 N ATOM 613 CA GLN A 39 15.256 4.998 -2.777 1.00 0.00 C ATOM 614 C GLN A 39 14.660 6.284 -3.355 1.00 0.00 C ATOM 615 O GLN A 39 14.508 6.428 -4.551 1.00 0.00 O ATOM 616 CB GLN A 39 14.155 4.103 -2.208 1.00 0.00 C ATOM 617 CG GLN A 39 14.572 2.636 -2.341 1.00 0.00 C ATOM 618 CD GLN A 39 15.741 2.349 -1.397 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.971 3.083 -0.456 1.00 0.00 O ATOM 620 NE2 GLN A 39 16.496 1.306 -1.609 1.00 0.00 N ATOM 0 H GLN A 39 15.777 5.019 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 39 15.800 4.509 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.977 4.348 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.219 4.276 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.731 1.985 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.861 2.421 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.304 0.689 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.278 1.107 -0.985 1.00 0.00 H new ATOM 629 N ILE A 40 14.323 7.219 -2.511 1.00 0.00 N ATOM 630 CA ILE A 40 13.737 8.498 -3.005 1.00 0.00 C ATOM 631 C ILE A 40 14.739 9.228 -3.904 1.00 0.00 C ATOM 632 O ILE A 40 14.382 9.793 -4.919 1.00 0.00 O ATOM 633 CB ILE A 40 13.454 9.310 -1.742 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.384 8.599 -0.914 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.952 10.701 -2.126 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.013 8.808 -1.558 1.00 0.00 C ATOM 0 H ILE A 40 14.428 7.153 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 40 12.838 8.341 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 40 14.370 9.404 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.608 7.534 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.381 8.987 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.751 11.277 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.711 11.210 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.036 10.609 -2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.252 8.300 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.789 9.874 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.019 8.399 -2.568 1.00 0.00 H new ATOM 648 N LYS A 41 15.992 9.222 -3.539 1.00 0.00 N ATOM 649 CA LYS A 41 17.016 9.916 -4.373 1.00 0.00 C ATOM 650 C LYS A 41 17.619 8.948 -5.397 1.00 0.00 C ATOM 651 O LYS A 41 18.001 9.340 -6.482 1.00 0.00 O ATOM 652 CB LYS A 41 18.083 10.382 -3.382 1.00 0.00 C ATOM 653 CG LYS A 41 19.223 11.063 -4.140 1.00 0.00 C ATOM 654 CD LYS A 41 20.540 10.832 -3.398 1.00 0.00 C ATOM 655 CE LYS A 41 20.672 11.846 -2.259 1.00 0.00 C ATOM 656 NZ LYS A 41 20.924 13.150 -2.934 1.00 0.00 N ATOM 0 H LYS A 41 16.351 8.767 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 41 16.592 10.746 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.647 11.074 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.465 9.532 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.289 10.665 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.027 12.131 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.572 9.817 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.379 10.932 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.765 11.882 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.491 11.583 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.531 13.741 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.397 12.984 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.020 13.637 -3.098 1.00 0.00 H new ATOM 670 N LEU A 42 17.721 7.692 -5.052 1.00 0.00 N ATOM 671 CA LEU A 42 18.311 6.691 -5.991 1.00 0.00 C ATOM 672 C LEU A 42 18.001 7.053 -7.446 1.00 0.00 C ATOM 673 O LEU A 42 18.849 7.538 -8.169 1.00 0.00 O ATOM 674 CB LEU A 42 17.652 5.363 -5.619 1.00 0.00 C ATOM 675 CG LEU A 42 18.731 4.333 -5.284 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.310 3.531 -4.051 1.00 0.00 C ATOM 677 CD2 LEU A 42 18.913 3.384 -6.470 1.00 0.00 C ATOM 0 H LEU A 42 17.419 7.313 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 42 19.397 6.651 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.989 5.501 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.038 5.006 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 42 19.670 4.846 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.080 2.797 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.179 4.206 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.370 3.018 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.682 2.649 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.972 2.872 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 42 19.214 3.954 -7.349 1.00 0.00 H new ATOM 689 N ASP A 43 16.796 6.812 -7.885 1.00 0.00 N ATOM 690 CA ASP A 43 16.446 7.136 -9.299 1.00 0.00 C ATOM 691 C ASP A 43 15.044 7.745 -9.382 1.00 0.00 C ATOM 692 O ASP A 43 14.054 7.043 -9.435 1.00 0.00 O ATOM 693 CB ASP A 43 16.493 5.797 -10.033 1.00 0.00 C ATOM 694 CG ASP A 43 16.754 6.039 -11.521 1.00 0.00 C ATOM 695 OD1 ASP A 43 17.633 6.828 -11.827 1.00 0.00 O ATOM 696 OD2 ASP A 43 16.070 5.432 -12.328 1.00 0.00 O ATOM 0 H ASP A 43 16.042 6.407 -7.330 1.00 0.00 H new ATOM 0 HA ASP A 43 17.129 7.867 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 43 17.278 5.167 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.551 5.264 -9.900 1.00 0.00 H new ATOM 701 N GLU A 44 14.955 9.047 -9.397 1.00 0.00 N ATOM 702 CA GLU A 44 13.624 9.719 -9.484 1.00 0.00 C ATOM 703 C GLU A 44 12.871 9.618 -8.153 1.00 0.00 C ATOM 704 O GLU A 44 12.051 10.455 -7.834 1.00 0.00 O ATOM 705 CB GLU A 44 12.865 8.981 -10.588 1.00 0.00 C ATOM 706 CG GLU A 44 12.406 9.985 -11.649 1.00 0.00 C ATOM 707 CD GLU A 44 10.880 10.095 -11.620 1.00 0.00 C ATOM 708 OE1 GLU A 44 10.372 10.781 -10.749 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.247 9.493 -12.472 1.00 0.00 O ATOM 0 H GLU A 44 15.753 9.680 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 44 13.727 10.782 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.505 8.224 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.004 8.461 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.855 10.960 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.740 9.665 -12.636 1.00 0.00 H new ATOM 716 N GLY A 45 13.135 8.606 -7.374 1.00 0.00 N ATOM 717 CA GLY A 45 12.425 8.468 -6.072 1.00 0.00 C ATOM 718 C GLY A 45 11.356 7.382 -6.187 1.00 0.00 C ATOM 719 O GLY A 45 10.861 6.879 -5.198 1.00 0.00 O ATOM 0 H GLY A 45 13.810 7.870 -7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.134 8.213 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.966 9.417 -5.793 1.00 0.00 H new ATOM 723 N TRP A 46 10.994 7.017 -7.386 1.00 0.00 N ATOM 724 CA TRP A 46 9.952 5.964 -7.559 1.00 0.00 C ATOM 725 C TRP A 46 10.393 4.659 -6.890 1.00 0.00 C ATOM 726 O TRP A 46 11.233 3.941 -7.397 1.00 0.00 O ATOM 727 CB TRP A 46 9.827 5.764 -9.069 1.00 0.00 C ATOM 728 CG TRP A 46 9.064 6.900 -9.672 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.549 7.749 -10.606 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.692 7.323 -9.408 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.566 8.664 -10.933 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.404 8.444 -10.222 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.681 6.849 -8.550 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.158 9.071 -10.190 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.426 7.479 -8.516 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.165 8.587 -9.335 1.00 0.00 C ATOM 0 H TRP A 46 11.373 7.401 -8.252 1.00 0.00 H new ATOM 0 HA TRP A 46 9.005 6.254 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.818 5.700 -9.519 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.320 4.822 -9.279 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.543 7.717 -11.028 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.685 9.411 -11.617 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.872 5.997 -7.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.963 9.925 -10.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.657 7.108 -7.855 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.197 9.066 -9.305 1.00 0.00 H new ATOM 747 N VAL A 47 9.822 4.341 -5.762 1.00 0.00 N ATOM 748 CA VAL A 47 10.194 3.075 -5.067 1.00 0.00 C ATOM 749 C VAL A 47 9.102 2.031 -5.314 1.00 0.00 C ATOM 750 O VAL A 47 7.939 2.366 -5.387 1.00 0.00 O ATOM 751 CB VAL A 47 10.268 3.437 -3.583 1.00 0.00 C ATOM 752 CG1 VAL A 47 11.064 2.367 -2.834 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.962 4.792 -3.420 1.00 0.00 C ATOM 0 H VAL A 47 9.113 4.903 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 47 11.137 2.659 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 47 9.259 3.493 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.116 2.626 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.571 1.401 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.072 2.310 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.014 5.049 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.970 4.736 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.396 5.557 -3.952 1.00 0.00 H new ATOM 763 N PRO A 48 9.505 0.798 -5.449 1.00 0.00 N ATOM 764 CA PRO A 48 8.544 -0.280 -5.703 1.00 0.00 C ATOM 765 C PRO A 48 8.074 -0.878 -4.380 1.00 0.00 C ATOM 766 O PRO A 48 8.826 -0.984 -3.432 1.00 0.00 O ATOM 767 CB PRO A 48 9.360 -1.293 -6.499 1.00 0.00 C ATOM 768 CG PRO A 48 10.802 -1.001 -6.184 1.00 0.00 C ATOM 769 CD PRO A 48 10.865 0.279 -5.379 1.00 0.00 C ATOM 0 HA PRO A 48 7.647 0.046 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.098 -2.313 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.167 -1.197 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.242 -1.825 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.378 -0.899 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.169 0.090 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.584 0.982 -5.800 1.00 0.00 H new ATOM 777 N LEU A 49 6.836 -1.263 -4.307 1.00 0.00 N ATOM 778 CA LEU A 49 6.313 -1.853 -3.039 1.00 0.00 C ATOM 779 C LEU A 49 7.202 -3.017 -2.592 1.00 0.00 C ATOM 780 O LEU A 49 6.976 -3.623 -1.566 1.00 0.00 O ATOM 781 CB LEU A 49 4.907 -2.347 -3.381 1.00 0.00 C ATOM 782 CG LEU A 49 4.089 -1.196 -3.967 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.231 -1.713 -5.122 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.181 -0.613 -2.881 1.00 0.00 C ATOM 0 H LEU A 49 6.159 -1.197 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 49 6.301 -1.132 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.963 -3.168 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.419 -2.735 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 49 4.763 -0.422 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.648 -0.891 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.876 -2.130 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.556 -2.487 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.597 0.208 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.508 -1.388 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.791 -0.243 -2.057 1.00 0.00 H new ATOM 796 N GLU A 50 8.235 -3.309 -3.338 1.00 0.00 N ATOM 797 CA GLU A 50 9.161 -4.402 -2.936 1.00 0.00 C ATOM 798 C GLU A 50 9.771 -4.036 -1.596 1.00 0.00 C ATOM 799 O GLU A 50 9.836 -4.823 -0.673 1.00 0.00 O ATOM 800 CB GLU A 50 10.241 -4.410 -4.010 1.00 0.00 C ATOM 801 CG GLU A 50 11.269 -5.494 -3.686 1.00 0.00 C ATOM 802 CD GLU A 50 12.383 -5.473 -4.734 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.182 -6.040 -5.795 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.418 -4.889 -4.458 1.00 0.00 O ATOM 0 H GLU A 50 8.475 -2.836 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 50 8.673 -5.372 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.796 -4.595 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.727 -3.436 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.687 -5.328 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.789 -6.472 -3.671 1.00 0.00 H new ATOM 811 N ILE A 51 10.210 -2.821 -1.500 1.00 0.00 N ATOM 812 CA ILE A 51 10.818 -2.333 -0.235 1.00 0.00 C ATOM 813 C ILE A 51 9.776 -2.357 0.882 1.00 0.00 C ATOM 814 O ILE A 51 10.046 -2.739 2.002 1.00 0.00 O ATOM 815 CB ILE A 51 11.216 -0.886 -0.519 1.00 0.00 C ATOM 816 CG1 ILE A 51 11.882 -0.759 -1.896 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.180 -0.422 0.561 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.591 -2.061 -2.269 1.00 0.00 C ATOM 0 H ILE A 51 10.175 -2.133 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 51 11.663 -2.947 0.076 1.00 0.00 H new ATOM 0 HB ILE A 51 10.320 -0.265 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.131 -0.518 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.599 0.062 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.472 0.611 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.694 -0.487 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.066 -1.057 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.058 -1.954 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.356 -2.285 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.866 -2.874 -2.300 1.00 0.00 H new ATOM 830 N MET A 52 8.586 -1.940 0.569 1.00 0.00 N ATOM 831 CA MET A 52 7.499 -1.917 1.589 1.00 0.00 C ATOM 832 C MET A 52 6.941 -3.326 1.829 1.00 0.00 C ATOM 833 O MET A 52 6.684 -3.716 2.951 1.00 0.00 O ATOM 834 CB MET A 52 6.426 -1.005 0.996 1.00 0.00 C ATOM 835 CG MET A 52 6.420 0.327 1.749 1.00 0.00 C ATOM 836 SD MET A 52 8.108 0.973 1.846 1.00 0.00 S ATOM 837 CE MET A 52 7.783 2.279 3.055 1.00 0.00 C ATOM 0 H MET A 52 8.314 -1.610 -0.357 1.00 0.00 H new ATOM 0 HA MET A 52 7.855 -1.561 2.556 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.621 -0.836 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.448 -1.481 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.774 1.042 1.239 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.014 0.189 2.751 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.656 2.927 3.134 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.923 2.867 2.734 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.574 1.831 4.027 1.00 0.00 H new ATOM 847 N ILE A 53 6.711 -4.077 0.784 1.00 0.00 N ATOM 848 CA ILE A 53 6.124 -5.439 0.968 1.00 0.00 C ATOM 849 C ILE A 53 7.047 -6.336 1.794 1.00 0.00 C ATOM 850 O ILE A 53 6.586 -7.109 2.610 1.00 0.00 O ATOM 851 CB ILE A 53 5.959 -6.009 -0.440 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.302 -7.391 -0.345 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.332 -6.134 -1.102 1.00 0.00 C ATOM 854 CD1 ILE A 53 5.744 -8.263 -1.523 1.00 0.00 C ATOM 0 H ILE A 53 6.902 -3.810 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 53 5.177 -5.388 1.506 1.00 0.00 H new ATOM 0 HB ILE A 53 5.333 -5.347 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.576 -7.869 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.217 -7.288 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.216 -6.541 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.799 -5.151 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.961 -6.800 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.273 -9.243 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.447 -7.789 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.828 -8.379 -1.503 1.00 0.00 H new ATOM 866 N LYS A 54 8.337 -6.256 1.611 1.00 0.00 N ATOM 867 CA LYS A 54 9.241 -7.125 2.417 1.00 0.00 C ATOM 868 C LYS A 54 9.408 -6.541 3.821 1.00 0.00 C ATOM 869 O LYS A 54 9.642 -7.254 4.777 1.00 0.00 O ATOM 870 CB LYS A 54 10.575 -7.118 1.668 1.00 0.00 C ATOM 871 CG LYS A 54 11.180 -5.713 1.709 1.00 0.00 C ATOM 872 CD LYS A 54 12.422 -5.665 0.817 1.00 0.00 C ATOM 873 CE LYS A 54 13.667 -5.472 1.687 1.00 0.00 C ATOM 874 NZ LYS A 54 14.763 -6.159 0.949 1.00 0.00 N ATOM 0 H LYS A 54 8.800 -5.635 0.947 1.00 0.00 H new ATOM 0 HA LYS A 54 8.850 -8.136 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.261 -7.834 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.425 -7.430 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.448 -4.980 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.444 -5.449 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.506 -6.587 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.336 -4.849 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.889 -4.414 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.527 -5.904 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.651 -6.070 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.527 -7.165 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.878 -5.722 0.012 1.00 0.00 H new ATOM 888 N PHE A 55 9.280 -5.251 3.952 1.00 0.00 N ATOM 889 CA PHE A 55 9.423 -4.620 5.293 1.00 0.00 C ATOM 890 C PHE A 55 8.484 -5.304 6.291 1.00 0.00 C ATOM 891 O PHE A 55 7.323 -5.527 6.013 1.00 0.00 O ATOM 892 CB PHE A 55 9.021 -3.158 5.087 1.00 0.00 C ATOM 893 CG PHE A 55 10.260 -2.310 4.917 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.348 -2.795 4.178 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.323 -1.039 5.500 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.496 -2.008 4.024 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.471 -0.252 5.346 1.00 0.00 C ATOM 898 CZ PHE A 55 12.558 -0.737 4.608 1.00 0.00 C ATOM 0 H PHE A 55 9.082 -4.605 3.188 1.00 0.00 H new ATOM 0 HA PHE A 55 10.434 -4.708 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.382 -3.066 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.442 -2.806 5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.301 -3.775 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.485 -0.665 6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.334 -2.382 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.518 0.729 5.796 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.444 -0.131 4.489 1.00 0.00 H new ATOM 908 N ASN A 56 8.978 -5.645 7.450 1.00 0.00 N ATOM 909 CA ASN A 56 8.113 -6.320 8.461 1.00 0.00 C ATOM 910 C ASN A 56 6.879 -5.466 8.765 1.00 0.00 C ATOM 911 O ASN A 56 5.873 -5.958 9.235 1.00 0.00 O ATOM 912 CB ASN A 56 8.991 -6.455 9.705 1.00 0.00 C ATOM 913 CG ASN A 56 9.186 -5.079 10.343 1.00 0.00 C ATOM 914 OD1 ASN A 56 10.013 -4.304 9.905 1.00 0.00 O ATOM 915 ND2 ASN A 56 8.454 -4.740 11.370 1.00 0.00 N ATOM 0 H ASN A 56 9.943 -5.486 7.741 1.00 0.00 H new ATOM 0 HA ASN A 56 7.748 -7.285 8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.527 -7.136 10.418 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.957 -6.884 9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.577 -3.825 11.804 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.760 -5.390 11.738 1.00 0.00 H new ATOM 922 N ARG A 57 6.950 -4.189 8.507 1.00 0.00 N ATOM 923 CA ARG A 57 5.781 -3.306 8.786 1.00 0.00 C ATOM 924 C ARG A 57 4.627 -3.627 7.833 1.00 0.00 C ATOM 925 O ARG A 57 3.470 -3.486 8.176 1.00 0.00 O ATOM 926 CB ARG A 57 6.294 -1.887 8.546 1.00 0.00 C ATOM 927 CG ARG A 57 7.096 -1.421 9.763 1.00 0.00 C ATOM 928 CD ARG A 57 6.316 -0.331 10.501 1.00 0.00 C ATOM 929 NE ARG A 57 7.255 0.173 11.541 1.00 0.00 N ATOM 930 CZ ARG A 57 6.886 1.134 12.345 1.00 0.00 C ATOM 931 NH1 ARG A 57 5.694 1.655 12.236 1.00 0.00 N ATOM 932 NH2 ARG A 57 7.709 1.574 13.256 1.00 0.00 N ATOM 0 H ARG A 57 7.766 -3.719 8.115 1.00 0.00 H new ATOM 0 HA ARG A 57 5.398 -3.439 9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.919 -1.861 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.457 -1.212 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.286 -2.262 10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.067 -1.038 9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.013 0.466 9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.407 -0.731 10.950 1.00 0.00 H new ATOM 0 HE ARG A 57 8.187 -0.233 11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.051 1.312 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.406 2.405 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.641 1.168 13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.421 2.324 13.884 1.00 0.00 H new ATOM 946 N LEU A 58 4.930 -4.053 6.636 1.00 0.00 N ATOM 947 CA LEU A 58 3.843 -4.374 5.666 1.00 0.00 C ATOM 948 C LEU A 58 3.798 -5.880 5.389 1.00 0.00 C ATOM 949 O LEU A 58 2.743 -6.454 5.207 1.00 0.00 O ATOM 950 CB LEU A 58 4.208 -3.605 4.396 1.00 0.00 C ATOM 951 CG LEU A 58 3.147 -2.539 4.123 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.621 -1.623 2.994 1.00 0.00 C ATOM 953 CD2 LEU A 58 1.838 -3.217 3.711 1.00 0.00 C ATOM 0 H LEU A 58 5.879 -4.192 6.289 1.00 0.00 H new ATOM 0 HA LEU A 58 2.859 -4.096 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.187 -3.139 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.277 -4.290 3.551 1.00 0.00 H new ATOM 0 HG LEU A 58 2.985 -1.950 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.864 -0.863 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.554 -1.140 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.784 -2.212 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.081 -2.458 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.002 -3.806 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.498 -3.871 4.514 1.00 0.00 H new ATOM 965 N ASN A 59 4.933 -6.524 5.350 1.00 0.00 N ATOM 966 CA ASN A 59 4.943 -7.992 5.080 1.00 0.00 C ATOM 967 C ASN A 59 4.067 -8.724 6.102 1.00 0.00 C ATOM 968 O ASN A 59 3.609 -9.823 5.864 1.00 0.00 O ATOM 969 CB ASN A 59 6.410 -8.411 5.207 1.00 0.00 C ATOM 970 CG ASN A 59 6.495 -9.852 5.719 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.957 -10.093 6.818 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.066 -10.825 4.965 1.00 0.00 N ATOM 0 H ASN A 59 5.850 -6.101 5.493 1.00 0.00 H new ATOM 0 HA ASN A 59 4.542 -8.237 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.906 -8.329 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.931 -7.741 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.118 -11.788 5.297 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.678 -10.623 4.043 1.00 0.00 H new ATOM 979 N ARG A 60 3.831 -8.123 7.236 1.00 0.00 N ATOM 980 CA ARG A 60 2.986 -8.789 8.267 1.00 0.00 C ATOM 981 C ARG A 60 1.556 -8.972 7.747 1.00 0.00 C ATOM 982 O ARG A 60 0.743 -9.632 8.362 1.00 0.00 O ATOM 983 CB ARG A 60 3.003 -7.842 9.466 1.00 0.00 C ATOM 984 CG ARG A 60 3.981 -8.369 10.519 1.00 0.00 C ATOM 985 CD ARG A 60 3.280 -8.448 11.878 1.00 0.00 C ATOM 986 NE ARG A 60 3.006 -7.031 12.251 1.00 0.00 N ATOM 987 CZ ARG A 60 1.805 -6.529 12.115 1.00 0.00 C ATOM 988 NH1 ARG A 60 0.830 -7.263 11.647 1.00 0.00 N ATOM 989 NH2 ARG A 60 1.580 -5.288 12.447 1.00 0.00 N ATOM 0 H ARG A 60 4.186 -7.202 7.493 1.00 0.00 H new ATOM 0 HA ARG A 60 3.358 -9.781 8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.298 -6.842 9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.003 -7.759 9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.347 -9.354 10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.849 -7.713 10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.358 -9.025 11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.911 -8.937 12.620 1.00 0.00 H new ATOM 0 HE ARG A 60 3.760 -6.448 12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.003 -8.234 11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.104 -6.865 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.339 -4.712 12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.645 -4.894 12.342 1.00 0.00 H new ATOM 1003 N LEU A 61 1.243 -8.393 6.618 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.136 -8.539 6.065 1.00 0.00 C ATOM 1005 C LEU A 61 -0.085 -8.683 4.540 1.00 0.00 C ATOM 1006 O LEU A 61 0.896 -9.136 3.983 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.859 -7.251 6.459 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.104 -7.598 7.277 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -2.866 -6.317 7.619 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.008 -8.525 6.460 1.00 0.00 C ATOM 0 H LEU A 61 1.880 -7.827 6.057 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.642 -9.425 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.195 -6.611 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.141 -6.691 5.567 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.804 -8.098 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.753 -6.566 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.224 -5.656 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.166 -5.815 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.896 -8.773 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.306 -8.024 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.467 -9.439 6.216 1.00 0.00 H new ATOM 1022 N THR A 62 -1.135 -8.304 3.863 1.00 0.00 N ATOM 1023 CA THR A 62 -1.147 -8.422 2.375 1.00 0.00 C ATOM 1024 C THR A 62 0.191 -7.959 1.793 1.00 0.00 C ATOM 1025 O THR A 62 0.706 -6.917 2.147 1.00 0.00 O ATOM 1026 CB THR A 62 -2.282 -7.503 1.914 1.00 0.00 C ATOM 1027 OG1 THR A 62 -3.523 -8.178 2.061 1.00 0.00 O ATOM 1028 CG2 THR A 62 -2.076 -7.125 0.445 1.00 0.00 C ATOM 0 H THR A 62 -1.985 -7.918 4.275 1.00 0.00 H new ATOM 0 HA THR A 62 -1.295 -9.450 2.044 1.00 0.00 H new ATOM 0 HB THR A 62 -2.284 -6.598 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.793 -8.558 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.886 -6.471 0.121 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.124 -6.607 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.072 -8.028 -0.166 1.00 0.00 H new ATOM 1036 N THR A 63 0.756 -8.727 0.902 1.00 0.00 N ATOM 1037 CA THR A 63 2.059 -8.330 0.296 1.00 0.00 C ATOM 1038 C THR A 63 2.017 -8.507 -1.224 1.00 0.00 C ATOM 1039 O THR A 63 2.941 -8.144 -1.925 1.00 0.00 O ATOM 1040 CB THR A 63 3.091 -9.270 0.918 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.428 -10.385 1.496 1.00 0.00 O ATOM 1042 CG2 THR A 63 3.871 -8.520 1.998 1.00 0.00 C ATOM 0 H THR A 63 0.373 -9.611 0.568 1.00 0.00 H new ATOM 0 HA THR A 63 2.296 -7.283 0.484 1.00 0.00 H new ATOM 0 HB THR A 63 3.779 -9.619 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.090 -10.989 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.608 -9.187 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.379 -7.665 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.183 -8.172 2.769 1.00 0.00 H new ATOM 1050 N ASP A 64 0.952 -9.054 -1.742 1.00 0.00 N ATOM 1051 CA ASP A 64 0.859 -9.242 -3.217 1.00 0.00 C ATOM 1052 C ASP A 64 0.905 -7.881 -3.913 1.00 0.00 C ATOM 1053 O ASP A 64 -0.029 -7.108 -3.842 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.492 -9.921 -3.448 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.317 -11.440 -3.397 1.00 0.00 C ATOM 1056 OD1 ASP A 64 0.412 -11.904 -2.535 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -0.914 -12.114 -4.220 1.00 0.00 O ATOM 0 H ASP A 64 0.145 -9.378 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 64 1.681 -9.837 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.206 -9.601 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.900 -9.624 -4.414 1.00 0.00 H new ATOM 1062 N PHE A 65 1.989 -7.580 -4.575 1.00 0.00 N ATOM 1063 CA PHE A 65 2.104 -6.264 -5.267 1.00 0.00 C ATOM 1064 C PHE A 65 0.754 -5.838 -5.849 1.00 0.00 C ATOM 1065 O PHE A 65 0.373 -4.688 -5.768 1.00 0.00 O ATOM 1066 CB PHE A 65 3.121 -6.487 -6.387 1.00 0.00 C ATOM 1067 CG PHE A 65 4.523 -6.469 -5.820 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.831 -5.658 -4.718 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.520 -7.265 -6.400 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.132 -5.647 -4.199 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.819 -7.252 -5.881 1.00 0.00 C ATOM 1072 CZ PHE A 65 7.125 -6.443 -4.782 1.00 0.00 C ATOM 0 H PHE A 65 2.802 -8.190 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 65 2.414 -5.474 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.930 -7.441 -6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.016 -5.711 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.065 -5.042 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.285 -7.890 -7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.369 -5.024 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.586 -7.867 -6.329 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.128 -6.432 -4.383 1.00 0.00 H new ATOM 1082 N ASN A 66 0.027 -6.749 -6.436 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.295 -6.375 -7.019 1.00 0.00 C ATOM 1084 C ASN A 66 -2.308 -6.089 -5.907 1.00 0.00 C ATOM 1085 O ASN A 66 -3.053 -5.132 -5.968 1.00 0.00 O ATOM 1086 CB ASN A 66 -1.724 -7.593 -7.837 1.00 0.00 C ATOM 1087 CG ASN A 66 -0.717 -7.834 -8.963 1.00 0.00 C ATOM 1088 OD1 ASN A 66 0.456 -8.019 -8.712 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -1.129 -7.838 -10.201 1.00 0.00 N ATOM 0 H ASN A 66 0.288 -7.730 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.236 -5.473 -7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.785 -8.472 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.719 -7.433 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.465 -7.997 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.115 -7.682 -10.411 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.338 -6.905 -4.887 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.301 -6.668 -3.772 1.00 0.00 C ATOM 1098 C VAL A 67 -2.867 -5.451 -2.949 1.00 0.00 C ATOM 1099 O VAL A 67 -3.665 -4.605 -2.599 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.244 -7.938 -2.923 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.311 -7.869 -1.828 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.504 -9.156 -3.810 1.00 0.00 C ATOM 0 H VAL A 67 -1.739 -7.723 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.309 -6.464 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.258 -8.024 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.270 -8.775 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.127 -7.001 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.297 -7.782 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.463 -10.062 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.489 -9.069 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.745 -9.207 -4.590 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.604 -5.367 -2.634 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.100 -4.218 -1.828 1.00 0.00 C ATOM 1114 C ILE A 68 -1.232 -2.916 -2.609 1.00 0.00 C ATOM 1115 O ILE A 68 -1.694 -1.911 -2.103 1.00 0.00 O ATOM 1116 CB ILE A 68 0.374 -4.539 -1.595 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.977 -3.514 -0.627 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.133 -4.511 -2.924 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.543 -2.328 -1.416 1.00 0.00 C ATOM 0 H ILE A 68 -0.894 -6.049 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.657 -4.088 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 68 0.459 -5.536 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.216 -3.168 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.765 -3.979 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.184 -4.741 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.708 -5.252 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.049 -3.520 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.971 -1.602 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.318 -2.680 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.744 -1.857 -1.988 1.00 0.00 H new ATOM 1131 N VAL A 69 -0.822 -2.933 -3.836 1.00 0.00 N ATOM 1132 CA VAL A 69 -0.903 -1.703 -4.670 1.00 0.00 C ATOM 1133 C VAL A 69 -2.366 -1.329 -4.923 1.00 0.00 C ATOM 1134 O VAL A 69 -2.715 -0.166 -4.993 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.201 -2.069 -5.972 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.125 -2.942 -6.823 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.149 -0.790 -6.733 1.00 0.00 C ATOM 0 H VAL A 69 -0.430 -3.749 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.441 -0.841 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 69 0.713 -2.622 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.623 -3.204 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.372 -3.852 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.040 -2.393 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.652 -1.047 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.764 -0.237 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.809 -0.173 -6.123 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.225 -2.301 -5.059 1.00 0.00 N ATOM 1148 CA GLU A 70 -4.662 -1.988 -5.304 1.00 0.00 C ATOM 1149 C GLU A 70 -5.205 -1.126 -4.163 1.00 0.00 C ATOM 1150 O GLU A 70 -6.032 -0.258 -4.366 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.367 -3.343 -5.336 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.773 -3.174 -5.913 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.699 -4.239 -5.323 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.516 -4.579 -4.166 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.575 -4.696 -6.038 1.00 0.00 O ATOM 0 H GLU A 70 -2.996 -3.294 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.815 -1.433 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.796 -4.047 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.423 -3.759 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.154 -2.179 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.745 -3.263 -6.999 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.741 -1.351 -2.964 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.225 -0.535 -1.815 1.00 0.00 C ATOM 1164 C ALA A 71 -4.734 0.906 -1.959 1.00 0.00 C ATOM 1165 O ALA A 71 -5.459 1.848 -1.708 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.615 -1.190 -0.577 1.00 0.00 C ATOM 0 H ALA A 71 -4.049 -2.063 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.313 -0.500 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.926 -0.644 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.955 -2.223 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.528 -1.170 -0.653 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.506 1.085 -2.365 1.00 0.00 N ATOM 1173 CA LEU A 72 -2.971 2.468 -2.530 1.00 0.00 C ATOM 1174 C LEU A 72 -3.769 3.215 -3.602 1.00 0.00 C ATOM 1175 O LEU A 72 -3.972 4.409 -3.518 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.519 2.283 -2.975 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.790 1.367 -1.989 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.720 1.467 -2.222 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.112 1.799 -0.556 1.00 0.00 C ATOM 0 H LEU A 72 -2.851 0.336 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.043 3.052 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.487 1.854 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.018 3.250 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.116 0.338 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.240 0.815 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.952 1.161 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.044 2.496 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.593 1.147 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.786 2.828 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.187 1.730 -0.388 1.00 0.00 H new ATOM 1191 N SER A 73 -4.225 2.518 -4.607 1.00 0.00 N ATOM 1192 CA SER A 73 -5.011 3.186 -5.685 1.00 0.00 C ATOM 1193 C SER A 73 -6.163 3.990 -5.078 1.00 0.00 C ATOM 1194 O SER A 73 -6.568 5.008 -5.603 1.00 0.00 O ATOM 1195 CB SER A 73 -5.550 2.045 -6.547 1.00 0.00 C ATOM 1196 OG SER A 73 -6.086 2.579 -7.751 1.00 0.00 O ATOM 0 H SER A 73 -4.088 1.515 -4.729 1.00 0.00 H new ATOM 0 HA SER A 73 -4.407 3.884 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.753 1.337 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.320 1.496 -6.004 1.00 0.00 H new ATOM 0 HG SER A 73 -6.431 1.850 -8.307 1.00 0.00 H new ATOM 1202 N LYS A 74 -6.694 3.541 -3.974 1.00 0.00 N ATOM 1203 CA LYS A 74 -7.820 4.280 -3.334 1.00 0.00 C ATOM 1204 C LYS A 74 -7.278 5.286 -2.315 1.00 0.00 C ATOM 1205 O LYS A 74 -7.951 6.224 -1.936 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.653 3.203 -2.635 1.00 0.00 C ATOM 1207 CG LYS A 74 -9.940 2.961 -3.425 1.00 0.00 C ATOM 1208 CD LYS A 74 -10.812 4.217 -3.379 1.00 0.00 C ATOM 1209 CE LYS A 74 -11.311 4.441 -1.950 1.00 0.00 C ATOM 1210 NZ LYS A 74 -12.195 3.275 -1.665 1.00 0.00 N ATOM 0 H LYS A 74 -6.397 2.695 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.409 4.845 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.081 2.278 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.891 3.515 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.703 2.708 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.482 2.113 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.240 5.082 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.658 4.110 -4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.481 4.489 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.857 5.381 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.907 3.544 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.672 2.979 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.623 2.487 -1.299 1.00 0.00 H new ATOM 1224 N SER A 75 -6.074 5.086 -1.854 1.00 0.00 N ATOM 1225 CA SER A 75 -5.493 6.014 -0.842 1.00 0.00 C ATOM 1226 C SER A 75 -5.508 7.458 -1.351 1.00 0.00 C ATOM 1227 O SER A 75 -5.527 7.715 -2.538 1.00 0.00 O ATOM 1228 CB SER A 75 -4.056 5.535 -0.650 1.00 0.00 C ATOM 1229 OG SER A 75 -3.299 6.558 -0.015 1.00 0.00 O ATOM 0 H SER A 75 -5.465 4.317 -2.135 1.00 0.00 H new ATOM 0 HA SER A 75 -6.062 6.007 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.041 4.628 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.613 5.284 -1.614 1.00 0.00 H new ATOM 0 HG SER A 75 -2.377 6.252 0.111 1.00 0.00 H new ATOM 1235 N LYS A 76 -5.499 8.398 -0.447 1.00 0.00 N ATOM 1236 CA LYS A 76 -5.512 9.833 -0.850 1.00 0.00 C ATOM 1237 C LYS A 76 -4.913 10.698 0.263 1.00 0.00 C ATOM 1238 O LYS A 76 -5.502 11.672 0.690 1.00 0.00 O ATOM 1239 CB LYS A 76 -6.988 10.173 -1.058 1.00 0.00 C ATOM 1240 CG LYS A 76 -7.124 11.650 -1.433 1.00 0.00 C ATOM 1241 CD LYS A 76 -7.481 11.769 -2.916 1.00 0.00 C ATOM 1242 CE LYS A 76 -7.646 13.245 -3.284 1.00 0.00 C ATOM 1243 NZ LYS A 76 -6.453 13.922 -2.704 1.00 0.00 N ATOM 0 H LYS A 76 -5.483 8.233 0.559 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.922 10.016 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.409 9.547 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.552 9.964 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.895 12.121 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.191 12.175 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.700 11.316 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.403 11.226 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.690 13.380 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.570 13.653 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.246 14.785 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.644 14.172 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.635 13.282 -2.748 1.00 0.00 H new ATOM 1257 N ALA A 77 -3.749 10.347 0.738 1.00 0.00 N ATOM 1258 CA ALA A 77 -3.114 11.149 1.824 1.00 0.00 C ATOM 1259 C ALA A 77 -2.249 12.243 1.230 1.00 0.00 C ATOM 1260 O ALA A 77 -1.418 12.837 1.890 1.00 0.00 O ATOM 1261 CB ALA A 77 -2.273 10.163 2.635 1.00 0.00 C ATOM 0 H ALA A 77 -3.210 9.541 0.422 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.856 11.641 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.779 10.691 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.918 9.385 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.522 9.709 1.989 1.00 0.00 H new ATOM 1267 N GLU A 78 -2.443 12.500 -0.014 1.00 0.00 N ATOM 1268 CA GLU A 78 -1.642 13.549 -0.696 1.00 0.00 C ATOM 1269 C GLU A 78 -0.166 13.387 -0.330 1.00 0.00 C ATOM 1270 O GLU A 78 0.215 12.442 0.332 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.187 14.876 -0.166 1.00 0.00 C ATOM 1272 CG GLU A 78 -3.709 14.904 -0.327 1.00 0.00 C ATOM 1273 CD GLU A 78 -4.079 15.781 -1.524 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -3.234 15.965 -2.384 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -5.204 16.256 -1.560 1.00 0.00 O ATOM 0 H GLU A 78 -3.128 12.028 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.714 13.491 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.919 14.998 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.738 15.708 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.089 13.893 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.174 15.292 0.579 1.00 0.00 H new ATOM 1282 N LEU A 79 0.670 14.296 -0.752 1.00 0.00 N ATOM 1283 CA LEU A 79 2.120 14.183 -0.415 1.00 0.00 C ATOM 1284 C LEU A 79 2.711 12.897 -1.016 1.00 0.00 C ATOM 1285 O LEU A 79 3.894 12.644 -0.922 1.00 0.00 O ATOM 1286 CB LEU A 79 2.148 14.163 1.123 1.00 0.00 C ATOM 1287 CG LEU A 79 3.414 13.474 1.646 1.00 0.00 C ATOM 1288 CD1 LEU A 79 3.292 11.959 1.463 1.00 0.00 C ATOM 1289 CD2 LEU A 79 4.643 13.995 0.893 1.00 0.00 C ATOM 0 H LEU A 79 0.415 15.109 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 79 2.720 14.999 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.103 15.183 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.267 13.643 1.499 1.00 0.00 H new ATOM 0 HG LEU A 79 3.529 13.697 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.194 11.474 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.428 11.594 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.168 11.729 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.538 13.500 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.534 13.785 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.732 15.071 1.043 1.00 0.00 H new ATOM 1301 N MET A 80 1.904 12.085 -1.645 1.00 0.00 N ATOM 1302 CA MET A 80 2.441 10.830 -2.246 1.00 0.00 C ATOM 1303 C MET A 80 1.945 10.676 -3.686 1.00 0.00 C ATOM 1304 O MET A 80 0.927 11.220 -4.065 1.00 0.00 O ATOM 1305 CB MET A 80 1.894 9.705 -1.368 1.00 0.00 C ATOM 1306 CG MET A 80 3.008 9.173 -0.464 1.00 0.00 C ATOM 1307 SD MET A 80 4.408 8.638 -1.480 1.00 0.00 S ATOM 1308 CE MET A 80 4.155 6.856 -1.298 1.00 0.00 C ATOM 0 H MET A 80 0.903 12.235 -1.768 1.00 0.00 H new ATOM 0 HA MET A 80 3.530 10.825 -2.284 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.065 10.072 -0.763 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.502 8.901 -1.991 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.326 9.948 0.233 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.639 8.339 0.133 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.891 6.321 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.270 6.577 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.152 6.595 -1.635 1.00 0.00 H new ATOM 1318 N GLU A 81 2.658 9.936 -4.489 1.00 0.00 N ATOM 1319 CA GLU A 81 2.230 9.744 -5.904 1.00 0.00 C ATOM 1320 C GLU A 81 2.613 8.342 -6.385 1.00 0.00 C ATOM 1321 O GLU A 81 3.718 7.884 -6.174 1.00 0.00 O ATOM 1322 CB GLU A 81 2.988 10.809 -6.697 1.00 0.00 C ATOM 1323 CG GLU A 81 2.295 12.162 -6.526 1.00 0.00 C ATOM 1324 CD GLU A 81 1.980 12.753 -7.902 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.895 13.263 -8.529 1.00 0.00 O ATOM 1326 OE2 GLU A 81 0.831 12.685 -8.305 1.00 0.00 O ATOM 0 H GLU A 81 3.519 9.456 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 81 1.151 9.838 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.020 10.870 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.022 10.537 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.377 12.042 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.936 12.842 -5.965 1.00 0.00 H new ATOM 1333 N ILE A 82 1.709 7.659 -7.030 1.00 0.00 N ATOM 1334 CA ILE A 82 2.023 6.287 -7.524 1.00 0.00 C ATOM 1335 C ILE A 82 2.031 6.268 -9.055 1.00 0.00 C ATOM 1336 O ILE A 82 1.245 6.935 -9.697 1.00 0.00 O ATOM 1337 CB ILE A 82 0.899 5.402 -6.986 1.00 0.00 C ATOM 1338 CG1 ILE A 82 1.026 5.287 -5.465 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.003 4.011 -7.612 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.044 4.331 -4.934 1.00 0.00 C ATOM 0 H ILE A 82 0.767 7.990 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 82 3.004 5.945 -7.194 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.065 5.843 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.018 4.923 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.912 6.269 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.202 3.379 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.915 4.092 -8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.967 3.569 -7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.046 4.249 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.032 4.714 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.091 3.348 -5.385 1.00 0.00 H new ATOM 1352 N SER A 83 2.914 5.510 -9.644 1.00 0.00 N ATOM 1353 CA SER A 83 2.971 5.453 -11.131 1.00 0.00 C ATOM 1354 C SER A 83 1.626 4.991 -11.697 1.00 0.00 C ATOM 1355 O SER A 83 0.706 4.682 -10.965 1.00 0.00 O ATOM 1356 CB SER A 83 4.065 4.437 -11.449 1.00 0.00 C ATOM 1357 OG SER A 83 5.336 5.048 -11.275 1.00 0.00 O ATOM 0 H SER A 83 3.598 4.928 -9.160 1.00 0.00 H new ATOM 0 HA SER A 83 3.181 6.427 -11.572 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.973 3.569 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.958 4.078 -12.473 1.00 0.00 H new ATOM 0 HG SER A 83 5.331 5.585 -10.455 1.00 0.00 H new ATOM 1363 N GLU A 84 1.504 4.947 -12.995 1.00 0.00 N ATOM 1364 CA GLU A 84 0.217 4.512 -13.611 1.00 0.00 C ATOM 1365 C GLU A 84 0.136 2.983 -13.682 1.00 0.00 C ATOM 1366 O GLU A 84 -0.913 2.424 -13.932 1.00 0.00 O ATOM 1367 CB GLU A 84 0.232 5.111 -15.017 1.00 0.00 C ATOM 1368 CG GLU A 84 0.559 6.602 -14.935 1.00 0.00 C ATOM 1369 CD GLU A 84 -0.625 7.353 -14.325 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -1.710 7.254 -14.875 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -0.430 8.014 -13.319 1.00 0.00 O ATOM 0 H GLU A 84 2.240 5.193 -13.657 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.644 4.842 -13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.971 4.600 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.737 4.966 -15.495 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.452 6.756 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.777 6.992 -15.929 1.00 0.00 H new ATOM 1378 N ASP A 85 1.230 2.299 -13.478 1.00 0.00 N ATOM 1379 CA ASP A 85 1.189 0.809 -13.553 1.00 0.00 C ATOM 1380 C ASP A 85 0.724 0.212 -12.220 1.00 0.00 C ATOM 1381 O ASP A 85 0.388 -0.952 -12.139 1.00 0.00 O ATOM 1382 CB ASP A 85 2.628 0.389 -13.852 1.00 0.00 C ATOM 1383 CG ASP A 85 2.624 -0.813 -14.799 1.00 0.00 C ATOM 1384 OD1 ASP A 85 1.818 -1.705 -14.588 1.00 0.00 O ATOM 1385 OD2 ASP A 85 3.424 -0.821 -15.720 1.00 0.00 O ATOM 0 H ASP A 85 2.142 2.702 -13.265 1.00 0.00 H new ATOM 0 HA ASP A 85 0.491 0.458 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.174 1.218 -14.302 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.143 0.134 -12.926 1.00 0.00 H new ATOM 1390 N LYS A 86 0.701 0.994 -11.175 1.00 0.00 N ATOM 1391 CA LYS A 86 0.256 0.458 -9.854 1.00 0.00 C ATOM 1392 C LYS A 86 1.279 -0.548 -9.315 1.00 0.00 C ATOM 1393 O LYS A 86 0.950 -1.676 -9.004 1.00 0.00 O ATOM 1394 CB LYS A 86 -1.079 -0.235 -10.133 1.00 0.00 C ATOM 1395 CG LYS A 86 -2.174 0.396 -9.269 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.542 -0.106 -9.731 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.560 -1.638 -9.708 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.818 -2.018 -10.409 1.00 0.00 N ATOM 0 H LYS A 86 0.970 1.978 -11.177 1.00 0.00 H new ATOM 0 HA LYS A 86 0.159 1.244 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.335 -0.142 -11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.000 -1.300 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.017 0.142 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.130 1.483 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.324 0.287 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.753 0.255 -10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.687 -2.051 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.547 -2.018 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.902 -3.054 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.633 -1.617 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.799 -1.649 -11.381 1.00 0.00 H new ATOM 1412 N THR A 87 2.518 -0.149 -9.201 1.00 0.00 N ATOM 1413 CA THR A 87 3.558 -1.086 -8.682 1.00 0.00 C ATOM 1414 C THR A 87 4.730 -0.303 -8.079 1.00 0.00 C ATOM 1415 O THR A 87 5.805 -0.832 -7.878 1.00 0.00 O ATOM 1416 CB THR A 87 4.019 -1.881 -9.906 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.140 -1.005 -11.018 1.00 0.00 O ATOM 1418 CG2 THR A 87 2.997 -2.972 -10.222 1.00 0.00 C ATOM 0 H THR A 87 2.855 0.783 -9.444 1.00 0.00 H new ATOM 0 HA THR A 87 3.172 -1.733 -7.894 1.00 0.00 H new ATOM 0 HB THR A 87 4.985 -2.342 -9.699 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.280 -1.530 -11.834 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.326 -3.537 -11.094 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.905 -3.643 -9.368 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.030 -2.515 -10.430 1.00 0.00 H new ATOM 1426 N LYS A 88 4.529 0.953 -7.792 1.00 0.00 N ATOM 1427 CA LYS A 88 5.629 1.773 -7.205 1.00 0.00 C ATOM 1428 C LYS A 88 5.052 3.027 -6.541 1.00 0.00 C ATOM 1429 O LYS A 88 3.971 3.473 -6.869 1.00 0.00 O ATOM 1430 CB LYS A 88 6.543 2.135 -8.377 1.00 0.00 C ATOM 1431 CG LYS A 88 5.743 2.855 -9.462 1.00 0.00 C ATOM 1432 CD LYS A 88 6.407 2.618 -10.821 1.00 0.00 C ATOM 1433 CE LYS A 88 5.398 1.988 -11.783 1.00 0.00 C ATOM 1434 NZ LYS A 88 6.100 0.804 -12.352 1.00 0.00 N ATOM 0 H LYS A 88 3.650 1.449 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 88 6.178 1.235 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.357 2.772 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.997 1.233 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.717 2.488 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.697 3.923 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.772 3.561 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.272 1.964 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.486 1.695 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.107 2.689 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.035 0.828 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.100 0.823 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.655 -0.067 -11.997 1.00 0.00 H new ATOM 1448 N ILE A 89 5.771 3.608 -5.618 1.00 0.00 N ATOM 1449 CA ILE A 89 5.275 4.839 -4.942 1.00 0.00 C ATOM 1450 C ILE A 89 6.386 5.893 -4.934 1.00 0.00 C ATOM 1451 O ILE A 89 7.551 5.572 -5.050 1.00 0.00 O ATOM 1452 CB ILE A 89 4.936 4.401 -3.518 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.217 3.979 -2.796 1.00 0.00 C ATOM 1454 CG2 ILE A 89 3.968 3.219 -3.571 1.00 0.00 C ATOM 1455 CD1 ILE A 89 5.877 3.529 -1.374 1.00 0.00 C ATOM 0 H ILE A 89 6.684 3.281 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 89 4.411 5.278 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 89 4.473 5.229 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.703 3.168 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.921 4.810 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.723 2.903 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.056 3.518 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.433 2.391 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.790 3.228 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.410 4.353 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.188 2.685 -1.414 1.00 0.00 H new ATOM 1467 N ARG A 90 6.043 7.144 -4.813 1.00 0.00 N ATOM 1468 CA ARG A 90 7.100 8.195 -4.818 1.00 0.00 C ATOM 1469 C ARG A 90 6.667 9.411 -3.990 1.00 0.00 C ATOM 1470 O ARG A 90 5.494 9.660 -3.800 1.00 0.00 O ATOM 1471 CB ARG A 90 7.253 8.567 -6.294 1.00 0.00 C ATOM 1472 CG ARG A 90 7.995 9.895 -6.423 1.00 0.00 C ATOM 1473 CD ARG A 90 6.996 11.008 -6.748 1.00 0.00 C ATOM 1474 NE ARG A 90 7.720 11.911 -7.685 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.052 12.685 -8.498 1.00 0.00 C ATOM 1476 NH1 ARG A 90 5.747 12.678 -8.486 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.691 13.467 -9.324 1.00 0.00 N ATOM 0 H ARG A 90 5.086 7.483 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 90 8.034 7.848 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.798 7.784 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.272 8.642 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.520 10.122 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.749 9.828 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.092 10.606 -7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.688 11.538 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 90 8.740 11.925 -7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.246 12.067 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.228 13.283 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.711 13.473 -9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.171 14.072 -9.959 1.00 0.00 H new ATOM 1491 N ARG A 91 7.612 10.176 -3.511 1.00 0.00 N ATOM 1492 CA ARG A 91 7.269 11.387 -2.708 1.00 0.00 C ATOM 1493 C ARG A 91 7.054 12.574 -3.650 1.00 0.00 C ATOM 1494 O ARG A 91 7.803 12.776 -4.583 1.00 0.00 O ATOM 1495 CB ARG A 91 8.479 11.627 -1.802 1.00 0.00 C ATOM 1496 CG ARG A 91 8.457 13.070 -1.293 1.00 0.00 C ATOM 1497 CD ARG A 91 8.868 13.102 0.180 1.00 0.00 C ATOM 1498 NE ARG A 91 7.980 14.121 0.807 1.00 0.00 N ATOM 1499 CZ ARG A 91 8.123 15.384 0.510 1.00 0.00 C ATOM 1500 NH1 ARG A 91 9.045 15.758 -0.335 1.00 0.00 N ATOM 1501 NH2 ARG A 91 7.345 16.276 1.062 1.00 0.00 N ATOM 0 H ARG A 91 8.611 10.014 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 91 6.356 11.261 -2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.461 10.933 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.401 11.438 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.136 13.685 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.459 13.493 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.739 12.126 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.918 13.372 0.291 1.00 0.00 H new ATOM 0 HE ARG A 91 7.260 13.831 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.655 15.063 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.155 16.745 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.626 15.986 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.456 17.263 0.830 1.00 0.00 H new ATOM 1515 N SER A 92 6.038 13.358 -3.420 1.00 0.00 N ATOM 1516 CA SER A 92 5.784 14.519 -4.315 1.00 0.00 C ATOM 1517 C SER A 92 6.928 15.527 -4.206 1.00 0.00 C ATOM 1518 O SER A 92 7.059 16.212 -3.211 1.00 0.00 O ATOM 1519 CB SER A 92 4.479 15.131 -3.807 1.00 0.00 C ATOM 1520 OG SER A 92 4.680 15.636 -2.494 1.00 0.00 O ATOM 0 H SER A 92 5.375 13.245 -2.653 1.00 0.00 H new ATOM 0 HA SER A 92 5.716 14.228 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.156 15.932 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.688 14.381 -3.804 1.00 0.00 H new ATOM 0 HG SER A 92 5.624 15.872 -2.375 1.00 0.00 H new ATOM 1526 N PRO A 93 7.717 15.587 -5.244 1.00 0.00 N ATOM 1527 CA PRO A 93 8.861 16.529 -5.273 1.00 0.00 C ATOM 1528 C PRO A 93 8.330 17.958 -5.242 1.00 0.00 C ATOM 1529 O PRO A 93 9.017 18.887 -4.867 1.00 0.00 O ATOM 1530 CB PRO A 93 9.548 16.232 -6.605 1.00 0.00 C ATOM 1531 CG PRO A 93 8.507 15.548 -7.432 1.00 0.00 C ATOM 1532 CD PRO A 93 7.618 14.803 -6.476 1.00 0.00 C ATOM 0 HA PRO A 93 9.542 16.420 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.894 17.148 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.422 15.596 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.933 16.273 -8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.967 14.864 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.591 14.751 -6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.956 13.777 -6.328 1.00 0.00 H new ATOM 1540 N SER A 94 7.099 18.132 -5.635 1.00 0.00 N ATOM 1541 CA SER A 94 6.498 19.489 -5.632 1.00 0.00 C ATOM 1542 C SER A 94 6.110 19.882 -4.207 1.00 0.00 C ATOM 1543 O SER A 94 5.727 21.006 -3.949 1.00 0.00 O ATOM 1544 CB SER A 94 5.257 19.376 -6.515 1.00 0.00 C ATOM 1545 OG SER A 94 5.656 19.214 -7.869 1.00 0.00 O ATOM 0 H SER A 94 6.483 17.387 -5.959 1.00 0.00 H new ATOM 0 HA SER A 94 7.187 20.250 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.648 18.529 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.640 20.268 -6.410 1.00 0.00 H new ATOM 0 HG SER A 94 4.861 19.139 -8.438 1.00 0.00 H new ATOM 1551 N LYS A 95 6.217 18.974 -3.271 1.00 0.00 N ATOM 1552 CA LYS A 95 5.866 19.320 -1.864 1.00 0.00 C ATOM 1553 C LYS A 95 7.100 19.164 -0.969 1.00 0.00 C ATOM 1554 O LYS A 95 7.700 18.108 -0.921 1.00 0.00 O ATOM 1555 CB LYS A 95 4.781 18.320 -1.467 1.00 0.00 C ATOM 1556 CG LYS A 95 3.539 19.075 -0.988 1.00 0.00 C ATOM 1557 CD LYS A 95 2.690 18.156 -0.108 1.00 0.00 C ATOM 1558 CE LYS A 95 3.245 18.161 1.318 1.00 0.00 C ATOM 1559 NZ LYS A 95 2.849 19.483 1.880 1.00 0.00 N ATOM 0 H LYS A 95 6.530 18.015 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 95 5.522 20.349 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.528 17.685 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.148 17.664 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.834 19.962 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.956 19.417 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.653 18.492 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.697 17.142 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.831 17.342 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.328 18.039 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.702 20.028 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.290 20.006 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.278 19.339 2.737 1.00 0.00 H new ATOM 1573 N PRO A 96 7.443 20.226 -0.292 1.00 0.00 N ATOM 1574 CA PRO A 96 8.621 20.211 0.606 1.00 0.00 C ATOM 1575 C PRO A 96 8.341 19.391 1.864 1.00 0.00 C ATOM 1576 O PRO A 96 7.230 19.337 2.354 1.00 0.00 O ATOM 1577 CB PRO A 96 8.838 21.668 0.967 1.00 0.00 C ATOM 1578 CG PRO A 96 7.514 22.332 0.745 1.00 0.00 C ATOM 1579 CD PRO A 96 6.775 21.532 -0.300 1.00 0.00 C ATOM 0 HA PRO A 96 9.492 19.759 0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.162 21.773 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.612 22.116 0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.944 22.370 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.652 23.361 0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.717 21.440 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.836 22.005 -1.280 1.00 0.00 H new ATOM 1587 N LEU A 97 9.354 18.782 2.403 1.00 0.00 N ATOM 1588 CA LEU A 97 9.182 17.992 3.647 1.00 0.00 C ATOM 1589 C LEU A 97 10.118 18.551 4.707 1.00 0.00 C ATOM 1590 O LEU A 97 11.322 18.563 4.544 1.00 0.00 O ATOM 1591 CB LEU A 97 9.511 16.538 3.303 1.00 0.00 C ATOM 1592 CG LEU A 97 10.957 16.204 3.680 1.00 0.00 C ATOM 1593 CD1 LEU A 97 11.055 16.013 5.195 1.00 0.00 C ATOM 1594 CD2 LEU A 97 11.379 14.910 2.980 1.00 0.00 C ATOM 0 H LEU A 97 10.304 18.798 2.031 1.00 0.00 H new ATOM 0 HA LEU A 97 8.167 18.046 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.829 15.871 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.360 16.369 2.237 1.00 0.00 H new ATOM 0 HG LEU A 97 11.612 17.018 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.084 15.775 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.750 16.931 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.401 15.197 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.408 14.671 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.724 14.097 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.305 15.040 1.900 1.00 0.00 H new ATOM 1606 N PRO A 98 9.523 19.030 5.739 1.00 0.00 N ATOM 1607 CA PRO A 98 10.270 19.645 6.841 1.00 0.00 C ATOM 1608 C PRO A 98 10.585 18.631 7.939 1.00 0.00 C ATOM 1609 O PRO A 98 9.920 17.626 8.089 1.00 0.00 O ATOM 1610 CB PRO A 98 9.280 20.671 7.319 1.00 0.00 C ATOM 1611 CG PRO A 98 7.958 19.978 7.177 1.00 0.00 C ATOM 1612 CD PRO A 98 8.083 19.057 5.991 1.00 0.00 C ATOM 0 HA PRO A 98 11.240 20.050 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 98 9.471 20.962 8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 98 9.323 21.580 6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 98 7.715 19.417 8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.156 20.700 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.694 18.063 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 98 7.530 19.432 5.130 1.00 0.00 H new ATOM 1620 N GLU A 99 11.601 18.897 8.706 1.00 0.00 N ATOM 1621 CA GLU A 99 11.982 17.963 9.805 1.00 0.00 C ATOM 1622 C GLU A 99 11.815 18.650 11.163 1.00 0.00 C ATOM 1623 O GLU A 99 12.640 19.442 11.573 1.00 0.00 O ATOM 1624 CB GLU A 99 13.453 17.631 9.549 1.00 0.00 C ATOM 1625 CG GLU A 99 14.067 17.018 10.809 1.00 0.00 C ATOM 1626 CD GLU A 99 15.154 17.948 11.352 1.00 0.00 C ATOM 1627 OE1 GLU A 99 14.962 19.151 11.288 1.00 0.00 O ATOM 1628 OE2 GLU A 99 16.160 17.440 11.822 1.00 0.00 O ATOM 0 H GLU A 99 12.190 19.726 8.621 1.00 0.00 H new ATOM 0 HA GLU A 99 11.359 17.069 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.539 16.935 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.997 18.533 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.296 16.863 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.491 16.040 10.581 1.00 0.00 H new ATOM 1635 N VAL A 100 10.754 18.356 11.863 1.00 0.00 N ATOM 1636 CA VAL A 100 10.540 18.996 13.193 1.00 0.00 C ATOM 1637 C VAL A 100 11.223 18.178 14.293 1.00 0.00 C ATOM 1638 O VAL A 100 11.091 16.971 14.355 1.00 0.00 O ATOM 1639 CB VAL A 100 9.025 19.003 13.393 1.00 0.00 C ATOM 1640 CG1 VAL A 100 8.344 19.501 12.118 1.00 0.00 C ATOM 1641 CG2 VAL A 100 8.546 17.583 13.704 1.00 0.00 C ATOM 0 H VAL A 100 10.027 17.702 11.573 1.00 0.00 H new ATOM 0 HA VAL A 100 10.961 20.000 13.238 1.00 0.00 H new ATOM 0 HB VAL A 100 8.771 19.663 14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.263 19.506 12.261 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.685 20.512 11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.597 18.841 11.289 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.465 17.587 13.847 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.800 16.923 12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.031 17.226 14.613 1.00 0.00 H new ATOM 1651 N THR A 101 11.953 18.825 15.159 1.00 0.00 N ATOM 1652 CA THR A 101 12.644 18.084 16.254 1.00 0.00 C ATOM 1653 C THR A 101 12.021 18.441 17.606 1.00 0.00 C ATOM 1654 O THR A 101 11.771 19.593 17.901 1.00 0.00 O ATOM 1655 CB THR A 101 14.100 18.551 16.194 1.00 0.00 C ATOM 1656 OG1 THR A 101 14.180 19.746 15.430 1.00 0.00 O ATOM 1657 CG2 THR A 101 14.959 17.467 15.541 1.00 0.00 C ATOM 0 H THR A 101 12.101 19.834 15.157 1.00 0.00 H new ATOM 0 HA THR A 101 12.559 17.003 16.139 1.00 0.00 H new ATOM 0 HB THR A 101 14.464 18.739 17.204 1.00 0.00 H new ATOM 0 HG1 THR A 101 13.793 20.487 15.941 1.00 0.00 H new ATOM 0 HG21 THR A 101 15.996 17.801 15.499 1.00 0.00 H new ATOM 0 HG22 THR A 101 14.896 16.551 16.128 1.00 0.00 H new ATOM 0 HG23 THR A 101 14.598 17.276 14.530 1.00 0.00 H new ATOM 1665 N ASP A 102 11.768 17.461 18.431 1.00 0.00 N ATOM 1666 CA ASP A 102 11.160 17.746 19.763 1.00 0.00 C ATOM 1667 C ASP A 102 12.155 18.502 20.648 1.00 0.00 C ATOM 1668 O ASP A 102 13.333 18.207 20.665 1.00 0.00 O ATOM 1669 CB ASP A 102 10.849 16.372 20.357 1.00 0.00 C ATOM 1670 CG ASP A 102 12.089 15.481 20.262 1.00 0.00 C ATOM 1671 OD1 ASP A 102 12.955 15.613 21.110 1.00 0.00 O ATOM 1672 OD2 ASP A 102 12.150 14.682 19.342 1.00 0.00 O ATOM 0 H ASP A 102 11.956 16.477 18.241 1.00 0.00 H new ATOM 0 HA ASP A 102 10.268 18.368 19.686 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.542 16.475 21.398 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.017 15.913 19.823 1.00 0.00 H new ATOM 1677 N GLU A 103 11.690 19.476 21.382 1.00 0.00 N ATOM 1678 CA GLU A 103 12.609 20.250 22.264 1.00 0.00 C ATOM 1679 C GLU A 103 11.886 20.666 23.547 1.00 0.00 C ATOM 1680 O GLU A 103 11.219 21.688 23.524 1.00 0.00 O ATOM 1681 CB GLU A 103 13.001 21.481 21.446 1.00 0.00 C ATOM 1682 CG GLU A 103 14.514 21.692 21.532 1.00 0.00 C ATOM 1683 CD GLU A 103 15.199 20.946 20.386 1.00 0.00 C ATOM 1684 OE1 GLU A 103 14.513 20.591 19.442 1.00 0.00 O ATOM 1685 OE2 GLU A 103 16.399 20.742 20.472 1.00 0.00 O ATOM 1686 OXT GLU A 103 12.010 19.955 24.531 1.00 0.00 O ATOM 0 H GLU A 103 10.713 19.769 21.409 1.00 0.00 H new ATOM 0 HA GLU A 103 13.479 19.667 22.565 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.700 21.351 20.407 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.479 22.361 21.821 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.747 22.755 21.479 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.888 21.331 22.490 1.00 0.00 H new TER 1693 GLU A 103