USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 764 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 61 HIS : no HD1:sc=-0.00245 X(o=0.34,f=0.34) USER MOD Set 1.2: A 65 THR OG1 : rot 81:sc= 0.175 USER MOD Set 1.3: A 66 SER OG : rot 180:sc= 0.166 USER MOD Set 2.1: A 41 SER OG : rot -137:sc= 1.04 USER MOD Set 2.2: A 43 SER OG : rot 54:sc= 1.03 USER MOD Set 3.1: A 9 GLN : amide:sc= -1.88 K(o=-2,f=-7.8!) USER MOD Set 3.2: A 25 THR OG1 : rot 130:sc= -0.113 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0591) USER MOD Single : A 6 MET CE :methyl -171:sc= -0.0119 (180deg=-0.179) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -3.81! K(o=-3.8!,f=-0.49) USER MOD Single : A 11 ASN : amide:sc= 0.215 K(o=0.21,f=-0.34) USER MOD Single : A 17 THR OG1 : rot 69:sc= 1.43 USER MOD Single : A 18 ASN : amide:sc= -0.971 K(o=-0.97,f=-0.012) USER MOD Single : A 19 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.15) USER MOD Single : A 22 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.075) USER MOD Single : A 26 THR OG1 : rot -160:sc= 0.931 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= -0.0104 (180deg=-0.107) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 2.12 (180deg=2.1) USER MOD Single : A 50 GLN : amide:sc= 0.986 K(o=0.99,f=-0.71) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.122 (180deg=-0.208) USER MOD Single : A 54 SER OG : rot 180:sc= -0.3 USER MOD Single : A 58 GLN : amide:sc= -0.997 K(o=-1,f=-5.4!) USER MOD Single : A 60 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.014) USER MOD Single : A 67 CYS SG : rot 40:sc= -0.0619 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00512) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 90 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=-0.08) USER MOD Single : A 91 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.26) USER MOD Single : A 92 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-0.21) USER MOD Single : A 93 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.05) USER MOD Single : A 94 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.695 16.807 -6.854 1.00 0.00 N ATOM 2 CA MET A 1 -14.593 16.697 -5.872 1.00 0.00 C ATOM 3 C MET A 1 -13.501 17.711 -6.183 1.00 0.00 C ATOM 4 O MET A 1 -12.855 17.637 -7.226 1.00 0.00 O ATOM 5 CB MET A 1 -14.001 15.284 -5.879 1.00 0.00 C ATOM 6 CG MET A 1 -14.939 14.221 -5.335 1.00 0.00 C ATOM 7 SD MET A 1 -15.308 14.454 -3.587 1.00 0.00 S ATOM 8 CE MET A 1 -16.409 13.071 -3.295 1.00 0.00 C ATOM 0 H1 MET A 1 -16.490 16.207 -6.553 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.010 17.796 -6.912 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.360 16.495 -7.788 1.00 0.00 H new ATOM 0 HA MET A 1 -15.001 16.903 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.724 15.022 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.084 15.282 -5.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.868 14.236 -5.904 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.492 13.238 -5.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.728 13.074 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.282 13.158 -3.942 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.888 12.139 -3.512 1.00 0.00 H new ATOM 20 N PRO A 2 -13.291 18.685 -5.288 1.00 0.00 N ATOM 21 CA PRO A 2 -12.265 19.705 -5.473 1.00 0.00 C ATOM 22 C PRO A 2 -10.863 19.178 -5.178 1.00 0.00 C ATOM 23 O PRO A 2 -10.412 19.170 -4.028 1.00 0.00 O ATOM 24 CB PRO A 2 -12.656 20.790 -4.470 1.00 0.00 C ATOM 25 CG PRO A 2 -13.392 20.069 -3.391 1.00 0.00 C ATOM 26 CD PRO A 2 -14.044 18.874 -4.036 1.00 0.00 C ATOM 0 HA PRO A 2 -12.222 20.058 -6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.776 21.299 -4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.283 21.551 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.711 19.758 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.139 20.717 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.982 17.993 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.101 19.053 -4.230 1.00 0.00 H new ATOM 34 N ASP A 3 -10.195 18.698 -6.215 1.00 0.00 N ATOM 35 CA ASP A 3 -8.819 18.232 -6.088 1.00 0.00 C ATOM 36 C ASP A 3 -7.851 19.412 -6.100 1.00 0.00 C ATOM 37 O ASP A 3 -7.855 20.222 -7.025 1.00 0.00 O ATOM 38 CB ASP A 3 -8.466 17.221 -7.191 1.00 0.00 C ATOM 39 CG ASP A 3 -9.204 17.459 -8.496 1.00 0.00 C ATOM 40 OD1 ASP A 3 -8.789 18.338 -9.280 1.00 0.00 O ATOM 41 OD2 ASP A 3 -10.207 16.758 -8.745 1.00 0.00 O ATOM 0 H ASP A 3 -10.582 18.620 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.725 17.719 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.393 17.261 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.690 16.215 -6.835 1.00 0.00 H new ATOM 46 N PRO A 4 -7.011 19.518 -5.056 1.00 0.00 N ATOM 47 CA PRO A 4 -6.112 20.660 -4.862 1.00 0.00 C ATOM 48 C PRO A 4 -4.818 20.569 -5.673 1.00 0.00 C ATOM 49 O PRO A 4 -3.833 21.245 -5.362 1.00 0.00 O ATOM 50 CB PRO A 4 -5.810 20.591 -3.367 1.00 0.00 C ATOM 51 CG PRO A 4 -5.857 19.136 -3.044 1.00 0.00 C ATOM 52 CD PRO A 4 -6.880 18.529 -3.969 1.00 0.00 C ATOM 0 HA PRO A 4 -6.566 21.593 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.833 21.017 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -6.544 21.150 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.880 18.674 -3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -6.133 18.978 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.551 17.561 -4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -7.831 18.366 -3.461 1.00 0.00 H new ATOM 60 N LEU A 5 -4.819 19.747 -6.710 1.00 0.00 N ATOM 61 CA LEU A 5 -3.661 19.620 -7.581 1.00 0.00 C ATOM 62 C LEU A 5 -4.113 19.235 -8.981 1.00 0.00 C ATOM 63 O LEU A 5 -5.077 18.492 -9.138 1.00 0.00 O ATOM 64 CB LEU A 5 -2.643 18.602 -7.027 1.00 0.00 C ATOM 65 CG LEU A 5 -2.973 17.108 -7.197 1.00 0.00 C ATOM 66 CD1 LEU A 5 -1.810 16.264 -6.703 1.00 0.00 C ATOM 67 CD2 LEU A 5 -4.240 16.709 -6.453 1.00 0.00 C ATOM 0 H LEU A 5 -5.610 19.157 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.155 20.584 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.682 18.792 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.514 18.800 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.143 16.932 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.049 15.208 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.916 16.503 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.629 16.475 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.431 15.646 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.115 16.908 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.083 17.286 -6.834 1.00 0.00 H new ATOM 79 N MET A 6 -3.440 19.758 -9.993 1.00 0.00 N ATOM 80 CA MET A 6 -3.838 19.511 -11.376 1.00 0.00 C ATOM 81 C MET A 6 -3.248 18.201 -11.880 1.00 0.00 C ATOM 82 O MET A 6 -3.864 17.495 -12.680 1.00 0.00 O ATOM 83 CB MET A 6 -3.413 20.665 -12.287 1.00 0.00 C ATOM 84 CG MET A 6 -3.973 22.013 -11.861 1.00 0.00 C ATOM 85 SD MET A 6 -5.748 21.966 -11.550 1.00 0.00 S ATOM 86 CE MET A 6 -6.368 21.410 -13.140 1.00 0.00 C ATOM 0 H MET A 6 -2.619 20.354 -9.888 1.00 0.00 H new ATOM 0 HA MET A 6 -4.925 19.438 -11.400 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.325 20.722 -12.304 1.00 0.00 H new ATOM 0 HB3 MET A 6 -3.737 20.451 -13.306 1.00 0.00 H new ATOM 0 HG2 MET A 6 -3.460 22.346 -10.959 1.00 0.00 H new ATOM 0 HG3 MET A 6 -3.764 22.750 -12.637 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.455 21.486 -13.153 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.951 22.033 -13.931 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.075 20.373 -13.302 1.00 0.00 H new ATOM 96 N TYR A 7 -2.053 17.884 -11.408 1.00 0.00 N ATOM 97 CA TYR A 7 -1.425 16.613 -11.716 1.00 0.00 C ATOM 98 C TYR A 7 -1.538 15.693 -10.520 1.00 0.00 C ATOM 99 O TYR A 7 -0.765 15.782 -9.573 1.00 0.00 O ATOM 100 CB TYR A 7 0.035 16.806 -12.112 1.00 0.00 C ATOM 101 CG TYR A 7 0.236 17.088 -13.583 1.00 0.00 C ATOM 102 CD1 TYR A 7 -0.473 18.097 -14.229 1.00 0.00 C ATOM 103 CD2 TYR A 7 1.132 16.338 -14.328 1.00 0.00 C ATOM 104 CE1 TYR A 7 -0.291 18.345 -15.577 1.00 0.00 C ATOM 105 CE2 TYR A 7 1.322 16.581 -15.673 1.00 0.00 C ATOM 106 CZ TYR A 7 0.607 17.582 -16.294 1.00 0.00 C ATOM 107 OH TYR A 7 0.796 17.817 -17.638 1.00 0.00 O ATOM 0 H TYR A 7 -1.498 18.494 -10.808 1.00 0.00 H new ATOM 0 HA TYR A 7 -1.939 16.162 -12.565 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.453 17.630 -11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.596 15.911 -11.843 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.176 18.695 -13.669 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.692 15.549 -13.847 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.848 19.131 -16.065 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.028 15.989 -16.237 1.00 0.00 H new ATOM 0 HH TYR A 7 1.464 17.191 -17.989 1.00 0.00 H new ATOM 117 N GLN A 8 -2.535 14.831 -10.576 1.00 0.00 N ATOM 118 CA GLN A 8 -2.883 13.951 -9.463 1.00 0.00 C ATOM 119 C GLN A 8 -1.784 12.943 -9.170 1.00 0.00 C ATOM 120 O GLN A 8 -1.531 12.601 -8.016 1.00 0.00 O ATOM 121 CB GLN A 8 -4.176 13.190 -9.766 1.00 0.00 C ATOM 122 CG GLN A 8 -5.376 13.629 -8.941 1.00 0.00 C ATOM 123 CD GLN A 8 -6.054 14.881 -9.466 1.00 0.00 C ATOM 124 OE1 GLN A 8 -7.264 15.042 -9.322 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.295 15.775 -10.074 1.00 0.00 N ATOM 0 H GLN A 8 -3.132 14.716 -11.395 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.016 14.588 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.414 13.311 -10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.005 12.127 -9.597 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.103 12.817 -8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.055 13.804 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.294 15.609 -10.176 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.710 16.631 -10.441 1.00 0.00 H new ATOM 134 N GLN A 9 -1.137 12.462 -10.214 1.00 0.00 N ATOM 135 CA GLN A 9 -0.219 11.351 -10.066 1.00 0.00 C ATOM 136 C GLN A 9 1.234 11.781 -10.181 1.00 0.00 C ATOM 137 O GLN A 9 1.589 12.634 -10.992 1.00 0.00 O ATOM 138 CB GLN A 9 -0.513 10.274 -11.108 1.00 0.00 C ATOM 139 CG GLN A 9 -1.920 9.706 -11.020 1.00 0.00 C ATOM 140 CD GLN A 9 -2.177 8.623 -12.043 1.00 0.00 C ATOM 141 OE1 GLN A 9 -1.942 7.442 -11.785 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.661 9.015 -13.207 1.00 0.00 N ATOM 0 H GLN A 9 -1.229 12.819 -11.165 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.370 10.950 -9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.361 10.693 -12.103 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.205 9.462 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.083 9.302 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.642 10.511 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.841 10.004 -13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.855 8.328 -13.936 1.00 0.00 H new ATOM 151 N ASP A 10 2.063 11.176 -9.350 1.00 0.00 N ATOM 152 CA ASP A 10 3.509 11.297 -9.459 1.00 0.00 C ATOM 153 C ASP A 10 4.054 9.910 -9.786 1.00 0.00 C ATOM 154 O ASP A 10 3.269 8.987 -10.008 1.00 0.00 O ATOM 155 CB ASP A 10 4.111 11.823 -8.148 1.00 0.00 C ATOM 156 CG ASP A 10 5.457 12.494 -8.350 1.00 0.00 C ATOM 157 OD1 ASP A 10 6.482 11.783 -8.412 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.495 13.740 -8.444 1.00 0.00 O ATOM 0 H ASP A 10 1.754 10.585 -8.578 1.00 0.00 H new ATOM 0 HA ASP A 10 3.776 12.008 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.420 12.533 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.223 10.996 -7.447 1.00 0.00 H new ATOM 163 N ASN A 11 5.364 9.738 -9.806 1.00 0.00 N ATOM 164 CA ASN A 11 5.931 8.427 -10.109 1.00 0.00 C ATOM 165 C ASN A 11 6.649 7.837 -8.900 1.00 0.00 C ATOM 166 O ASN A 11 7.469 8.491 -8.254 1.00 0.00 O ATOM 167 CB ASN A 11 6.849 8.462 -11.353 1.00 0.00 C ATOM 168 CG ASN A 11 7.893 9.576 -11.367 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.251 10.080 -12.429 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.409 9.954 -10.213 1.00 0.00 N ATOM 0 H ASN A 11 6.048 10.472 -9.620 1.00 0.00 H new ATOM 0 HA ASN A 11 5.097 7.769 -10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.364 7.504 -11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.225 8.561 -12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.123 10.682 -10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.093 9.519 -9.346 1.00 0.00 H new ATOM 177 N PHE A 12 6.303 6.601 -8.580 1.00 0.00 N ATOM 178 CA PHE A 12 6.914 5.893 -7.466 1.00 0.00 C ATOM 179 C PHE A 12 7.412 4.536 -7.929 1.00 0.00 C ATOM 180 O PHE A 12 6.709 3.826 -8.650 1.00 0.00 O ATOM 181 CB PHE A 12 5.913 5.713 -6.318 1.00 0.00 C ATOM 182 CG PHE A 12 5.409 7.004 -5.740 1.00 0.00 C ATOM 183 CD1 PHE A 12 6.131 7.670 -4.763 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.212 7.552 -6.174 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.669 8.859 -4.229 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.746 8.740 -5.645 1.00 0.00 C ATOM 187 CZ PHE A 12 4.476 9.394 -4.671 1.00 0.00 C ATOM 0 H PHE A 12 5.596 6.063 -9.081 1.00 0.00 H new ATOM 0 HA PHE A 12 7.754 6.485 -7.102 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.064 5.132 -6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.385 5.132 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.065 7.256 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.637 7.044 -6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.241 9.368 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.812 9.157 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.113 10.323 -4.256 1.00 0.00 H new ATOM 197 N VAL A 13 8.624 4.181 -7.533 1.00 0.00 N ATOM 198 CA VAL A 13 9.185 2.892 -7.899 1.00 0.00 C ATOM 199 C VAL A 13 8.758 1.839 -6.886 1.00 0.00 C ATOM 200 O VAL A 13 9.024 1.955 -5.684 1.00 0.00 O ATOM 201 CB VAL A 13 10.728 2.943 -8.025 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.366 3.442 -6.743 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.289 1.577 -8.404 1.00 0.00 C ATOM 0 H VAL A 13 9.235 4.764 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 13 8.798 2.623 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 13 10.971 3.647 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.449 3.467 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.002 4.445 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.106 2.773 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.374 1.639 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.024 0.849 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.870 1.264 -9.360 1.00 0.00 H new ATOM 213 N VAL A 14 8.062 0.832 -7.374 1.00 0.00 N ATOM 214 CA VAL A 14 7.507 -0.192 -6.513 1.00 0.00 C ATOM 215 C VAL A 14 8.277 -1.492 -6.659 1.00 0.00 C ATOM 216 O VAL A 14 8.279 -2.113 -7.723 1.00 0.00 O ATOM 217 CB VAL A 14 6.017 -0.437 -6.822 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.428 -1.482 -5.885 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.239 0.866 -6.729 1.00 0.00 C ATOM 0 H VAL A 14 7.867 0.701 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 14 7.595 0.163 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 14 5.938 -0.819 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.376 -1.635 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.967 -2.422 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.518 -1.139 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.188 0.679 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.331 1.274 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.639 1.581 -7.448 1.00 0.00 H new ATOM 229 N LEU A 15 8.932 -1.894 -5.588 1.00 0.00 N ATOM 230 CA LEU A 15 9.690 -3.126 -5.586 1.00 0.00 C ATOM 231 C LEU A 15 8.808 -4.271 -5.111 1.00 0.00 C ATOM 232 O LEU A 15 8.536 -4.415 -3.916 1.00 0.00 O ATOM 233 CB LEU A 15 10.929 -3.001 -4.693 1.00 0.00 C ATOM 234 CG LEU A 15 11.883 -1.856 -5.055 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.084 -1.849 -4.124 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.335 -1.971 -6.504 1.00 0.00 C ATOM 0 H LEU A 15 8.953 -1.382 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 15 10.026 -3.332 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.602 -2.867 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.482 -3.939 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 15 11.347 -0.914 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.750 -1.030 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.747 -1.717 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.618 -2.795 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.011 -1.149 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.852 -2.920 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.466 -1.927 -7.161 1.00 0.00 H new ATOM 248 N GLU A 16 8.342 -5.057 -6.064 1.00 0.00 N ATOM 249 CA GLU A 16 7.479 -6.188 -5.778 1.00 0.00 C ATOM 250 C GLU A 16 8.297 -7.471 -5.896 1.00 0.00 C ATOM 251 O GLU A 16 9.339 -7.488 -6.558 1.00 0.00 O ATOM 252 CB GLU A 16 6.293 -6.174 -6.752 1.00 0.00 C ATOM 253 CG GLU A 16 5.018 -6.810 -6.211 1.00 0.00 C ATOM 254 CD GLU A 16 4.997 -8.317 -6.340 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.697 -8.813 -7.443 1.00 0.00 O ATOM 256 OE2 GLU A 16 5.283 -9.009 -5.345 1.00 0.00 O ATOM 0 H GLU A 16 8.550 -4.930 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 16 7.080 -6.130 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.079 -5.141 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.584 -6.694 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.904 -6.541 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.161 -6.395 -6.741 1.00 0.00 H new ATOM 263 N THR A 17 7.838 -8.532 -5.257 1.00 0.00 N ATOM 264 CA THR A 17 8.593 -9.770 -5.194 1.00 0.00 C ATOM 265 C THR A 17 8.306 -10.653 -6.405 1.00 0.00 C ATOM 266 O THR A 17 9.227 -11.191 -7.026 1.00 0.00 O ATOM 267 CB THR A 17 8.262 -10.542 -3.907 1.00 0.00 C ATOM 268 OG1 THR A 17 8.304 -9.643 -2.790 1.00 0.00 O ATOM 269 CG2 THR A 17 9.249 -11.679 -3.680 1.00 0.00 C ATOM 0 H THR A 17 6.941 -8.561 -4.772 1.00 0.00 H new ATOM 0 HA THR A 17 9.651 -9.509 -5.194 1.00 0.00 H new ATOM 0 HB THR A 17 7.264 -10.969 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.552 -9.017 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.990 -12.208 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.207 -12.371 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.257 -11.274 -3.593 1.00 0.00 H new ATOM 277 N ASN A 18 7.033 -10.785 -6.747 1.00 0.00 N ATOM 278 CA ASN A 18 6.620 -11.638 -7.856 1.00 0.00 C ATOM 279 C ASN A 18 6.839 -10.935 -9.189 1.00 0.00 C ATOM 280 O ASN A 18 7.460 -11.481 -10.100 1.00 0.00 O ATOM 281 CB ASN A 18 5.148 -12.034 -7.711 1.00 0.00 C ATOM 282 CG ASN A 18 4.884 -12.921 -6.507 1.00 0.00 C ATOM 283 OD1 ASN A 18 3.833 -12.828 -5.877 1.00 0.00 O ATOM 284 ND2 ASN A 18 5.819 -13.803 -6.194 1.00 0.00 N ATOM 0 H ASN A 18 6.265 -10.311 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 18 7.232 -12.540 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.542 -11.132 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.827 -12.553 -8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.680 -14.436 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.679 -13.850 -6.741 1.00 0.00 H new ATOM 291 N GLN A 19 6.323 -9.723 -9.300 1.00 0.00 N ATOM 292 CA GLN A 19 6.466 -8.939 -10.514 1.00 0.00 C ATOM 293 C GLN A 19 7.414 -7.765 -10.301 1.00 0.00 C ATOM 294 O GLN A 19 7.040 -6.762 -9.695 1.00 0.00 O ATOM 295 CB GLN A 19 5.103 -8.421 -10.975 1.00 0.00 C ATOM 296 CG GLN A 19 4.156 -9.516 -11.445 1.00 0.00 C ATOM 297 CD GLN A 19 4.694 -10.271 -12.645 1.00 0.00 C ATOM 298 OE1 GLN A 19 4.421 -11.455 -12.823 1.00 0.00 O ATOM 299 NE2 GLN A 19 5.449 -9.584 -13.487 1.00 0.00 N ATOM 0 H GLN A 19 5.798 -9.258 -8.559 1.00 0.00 H new ATOM 0 HA GLN A 19 6.885 -9.588 -11.283 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.635 -7.877 -10.155 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.251 -7.709 -11.787 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.980 -10.216 -10.628 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.192 -9.075 -11.699 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.653 -8.602 -13.304 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.827 -10.037 -14.319 1.00 0.00 H new ATOM 308 N PRO A 20 8.662 -7.879 -10.777 1.00 0.00 N ATOM 309 CA PRO A 20 9.617 -6.774 -10.723 1.00 0.00 C ATOM 310 C PRO A 20 9.159 -5.634 -11.622 1.00 0.00 C ATOM 311 O PRO A 20 8.892 -5.840 -12.806 1.00 0.00 O ATOM 312 CB PRO A 20 10.925 -7.383 -11.248 1.00 0.00 C ATOM 313 CG PRO A 20 10.714 -8.862 -11.225 1.00 0.00 C ATOM 314 CD PRO A 20 9.239 -9.072 -11.406 1.00 0.00 C ATOM 0 HA PRO A 20 9.723 -6.357 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.143 -7.033 -12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.770 -7.097 -10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.278 -9.349 -12.020 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.056 -9.290 -10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.967 -9.146 -12.459 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.899 -9.988 -10.924 1.00 0.00 H new ATOM 322 N GLU A 21 9.081 -4.435 -11.072 1.00 0.00 N ATOM 323 CA GLU A 21 8.523 -3.306 -11.800 1.00 0.00 C ATOM 324 C GLU A 21 9.364 -2.056 -11.569 1.00 0.00 C ATOM 325 O GLU A 21 10.180 -2.007 -10.648 1.00 0.00 O ATOM 326 CB GLU A 21 7.070 -3.079 -11.357 1.00 0.00 C ATOM 327 CG GLU A 21 6.308 -2.063 -12.193 1.00 0.00 C ATOM 328 CD GLU A 21 6.325 -2.397 -13.670 1.00 0.00 C ATOM 329 OE1 GLU A 21 5.591 -3.315 -14.086 1.00 0.00 O ATOM 330 OE2 GLU A 21 7.075 -1.738 -14.423 1.00 0.00 O ATOM 0 H GLU A 21 9.396 -4.217 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 21 8.535 -3.524 -12.868 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.540 -4.031 -11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.067 -2.751 -10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.276 -2.014 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.742 -1.075 -12.042 1.00 0.00 H new ATOM 337 N GLN A 22 9.183 -1.068 -12.429 1.00 0.00 N ATOM 338 CA GLN A 22 9.882 0.199 -12.304 1.00 0.00 C ATOM 339 C GLN A 22 8.997 1.215 -11.581 1.00 0.00 C ATOM 340 O GLN A 22 8.289 0.870 -10.633 1.00 0.00 O ATOM 341 CB GLN A 22 10.282 0.713 -13.691 1.00 0.00 C ATOM 342 CG GLN A 22 11.305 -0.167 -14.395 1.00 0.00 C ATOM 343 CD GLN A 22 12.620 -0.249 -13.643 1.00 0.00 C ATOM 344 OE1 GLN A 22 13.519 0.567 -13.846 1.00 0.00 O ATOM 345 NE2 GLN A 22 12.748 -1.240 -12.774 1.00 0.00 N ATOM 0 H GLN A 22 8.552 -1.121 -13.228 1.00 0.00 H new ATOM 0 HA GLN A 22 10.788 0.054 -11.716 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.390 0.788 -14.313 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.687 1.720 -13.593 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.895 -1.170 -14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.487 0.224 -15.396 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.981 -1.897 -12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.614 -1.346 -12.246 1.00 0.00 H new ATOM 354 N PHE A 23 9.049 2.464 -12.015 1.00 0.00 N ATOM 355 CA PHE A 23 8.252 3.511 -11.399 1.00 0.00 C ATOM 356 C PHE A 23 6.901 3.649 -12.095 1.00 0.00 C ATOM 357 O PHE A 23 6.827 3.785 -13.317 1.00 0.00 O ATOM 358 CB PHE A 23 9.012 4.849 -11.407 1.00 0.00 C ATOM 359 CG PHE A 23 9.521 5.281 -12.760 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.716 4.780 -13.261 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.809 6.190 -13.527 1.00 0.00 C ATOM 362 CE1 PHE A 23 11.187 5.178 -14.498 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.277 6.592 -14.764 1.00 0.00 C ATOM 364 CZ PHE A 23 10.466 6.084 -15.251 1.00 0.00 C ATOM 0 H PHE A 23 9.634 2.777 -12.790 1.00 0.00 H new ATOM 0 HA PHE A 23 8.068 3.231 -10.362 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.355 5.626 -11.017 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.858 4.774 -10.723 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.284 4.071 -12.677 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.877 6.589 -13.154 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.118 4.781 -14.875 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.713 7.303 -15.350 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.831 6.395 -16.219 1.00 0.00 H new ATOM 374 N LEU A 24 5.837 3.589 -11.310 1.00 0.00 N ATOM 375 CA LEU A 24 4.487 3.749 -11.825 1.00 0.00 C ATOM 376 C LEU A 24 3.806 4.922 -11.132 1.00 0.00 C ATOM 377 O LEU A 24 4.350 5.491 -10.185 1.00 0.00 O ATOM 378 CB LEU A 24 3.660 2.463 -11.655 1.00 0.00 C ATOM 379 CG LEU A 24 3.700 1.803 -10.269 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.426 1.010 -10.026 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.904 0.881 -10.150 1.00 0.00 C ATOM 0 H LEU A 24 5.884 3.429 -10.304 1.00 0.00 H new ATOM 0 HA LEU A 24 4.552 3.953 -12.894 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.621 2.691 -11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.005 1.736 -12.390 1.00 0.00 H new ATOM 0 HG LEU A 24 3.782 2.590 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.468 0.547 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.566 1.678 -10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.329 0.235 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.915 0.423 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.842 0.102 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.819 1.456 -10.293 1.00 0.00 H new ATOM 393 N THR A 25 2.625 5.284 -11.605 1.00 0.00 N ATOM 394 CA THR A 25 1.935 6.460 -11.110 1.00 0.00 C ATOM 395 C THR A 25 1.180 6.185 -9.806 1.00 0.00 C ATOM 396 O THR A 25 0.909 5.034 -9.455 1.00 0.00 O ATOM 397 CB THR A 25 0.973 7.009 -12.175 1.00 0.00 C ATOM 398 OG1 THR A 25 0.248 5.932 -12.776 1.00 0.00 O ATOM 399 CG2 THR A 25 1.733 7.777 -13.246 1.00 0.00 C ATOM 0 H THR A 25 2.124 4.777 -12.334 1.00 0.00 H new ATOM 0 HA THR A 25 2.696 7.209 -10.893 1.00 0.00 H new ATOM 0 HB THR A 25 0.275 7.691 -11.689 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.709 6.141 -12.774 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.031 8.156 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.263 8.612 -12.788 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.450 7.114 -13.730 1.00 0.00 H new ATOM 407 N THR A 26 0.853 7.263 -9.100 1.00 0.00 N ATOM 408 CA THR A 26 0.233 7.197 -7.781 1.00 0.00 C ATOM 409 C THR A 26 -1.041 6.345 -7.757 1.00 0.00 C ATOM 410 O THR A 26 -1.228 5.538 -6.849 1.00 0.00 O ATOM 411 CB THR A 26 -0.093 8.613 -7.275 1.00 0.00 C ATOM 412 OG1 THR A 26 1.052 9.462 -7.449 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.491 8.596 -5.807 1.00 0.00 C ATOM 0 H THR A 26 1.012 8.215 -9.430 1.00 0.00 H new ATOM 0 HA THR A 26 0.958 6.716 -7.124 1.00 0.00 H new ATOM 0 HB THR A 26 -0.933 8.996 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.973 10.242 -6.861 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.715 9.611 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.373 7.969 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.330 8.195 -5.212 1.00 0.00 H new ATOM 421 N ILE A 27 -1.913 6.518 -8.747 1.00 0.00 N ATOM 422 CA ILE A 27 -3.179 5.785 -8.774 1.00 0.00 C ATOM 423 C ILE A 27 -2.937 4.292 -8.983 1.00 0.00 C ATOM 424 O ILE A 27 -3.588 3.451 -8.360 1.00 0.00 O ATOM 425 CB ILE A 27 -4.128 6.327 -9.866 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.538 7.768 -9.545 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.363 5.444 -10.010 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.236 7.922 -8.208 1.00 0.00 C ATOM 0 H ILE A 27 -1.770 7.152 -9.534 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.659 5.933 -7.807 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.593 6.315 -10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.650 8.400 -9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.197 8.132 -10.333 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.012 5.850 -10.786 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.058 4.434 -10.284 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.902 5.416 -9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.495 8.969 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.143 7.318 -8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.572 7.590 -7.410 1.00 0.00 H new ATOM 440 N GLU A 28 -1.979 3.972 -9.839 1.00 0.00 N ATOM 441 CA GLU A 28 -1.618 2.586 -10.100 1.00 0.00 C ATOM 442 C GLU A 28 -1.035 1.953 -8.839 1.00 0.00 C ATOM 443 O GLU A 28 -1.337 0.807 -8.506 1.00 0.00 O ATOM 444 CB GLU A 28 -0.609 2.522 -11.248 1.00 0.00 C ATOM 445 CG GLU A 28 -1.083 3.226 -12.509 1.00 0.00 C ATOM 446 CD GLU A 28 -2.302 2.581 -13.136 1.00 0.00 C ATOM 447 OE1 GLU A 28 -3.418 2.738 -12.596 1.00 0.00 O ATOM 448 OE2 GLU A 28 -2.149 1.919 -14.184 1.00 0.00 O ATOM 0 H GLU A 28 -1.436 4.655 -10.367 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.510 2.029 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.330 2.970 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.400 1.478 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.312 4.265 -12.272 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.272 3.237 -13.237 1.00 0.00 H new ATOM 455 N LEU A 29 -0.208 2.719 -8.137 1.00 0.00 N ATOM 456 CA LEU A 29 0.346 2.291 -6.860 1.00 0.00 C ATOM 457 C LEU A 29 -0.764 2.104 -5.834 1.00 0.00 C ATOM 458 O LEU A 29 -0.763 1.136 -5.073 1.00 0.00 O ATOM 459 CB LEU A 29 1.365 3.318 -6.353 1.00 0.00 C ATOM 460 CG LEU A 29 1.837 3.121 -4.908 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.532 1.781 -4.741 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.760 4.256 -4.498 1.00 0.00 C ATOM 0 H LEU A 29 0.095 3.646 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 29 0.851 1.336 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.236 3.294 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.927 4.312 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 29 0.962 3.129 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.857 1.666 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.840 0.978 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.398 1.736 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.088 4.105 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.628 4.275 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.227 5.204 -4.573 1.00 0.00 H new ATOM 474 N LEU A 30 -1.715 3.033 -5.835 1.00 0.00 N ATOM 475 CA LEU A 30 -2.837 2.998 -4.905 1.00 0.00 C ATOM 476 C LEU A 30 -3.593 1.680 -5.030 1.00 0.00 C ATOM 477 O LEU A 30 -3.825 0.995 -4.039 1.00 0.00 O ATOM 478 CB LEU A 30 -3.792 4.167 -5.182 1.00 0.00 C ATOM 479 CG LEU A 30 -4.285 4.941 -3.951 1.00 0.00 C ATOM 480 CD1 LEU A 30 -5.371 5.923 -4.351 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.796 3.999 -2.875 1.00 0.00 C ATOM 0 H LEU A 30 -1.730 3.826 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.445 3.087 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.292 4.868 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.661 3.782 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.440 5.493 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.713 6.466 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.973 6.628 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.208 5.381 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.138 4.578 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.625 3.411 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.993 3.331 -2.565 1.00 0.00 H new ATOM 493 N GLU A 31 -3.966 1.324 -6.254 1.00 0.00 N ATOM 494 CA GLU A 31 -4.723 0.104 -6.497 1.00 0.00 C ATOM 495 C GLU A 31 -3.908 -1.138 -6.159 1.00 0.00 C ATOM 496 O GLU A 31 -4.460 -2.140 -5.698 1.00 0.00 O ATOM 497 CB GLU A 31 -5.207 0.047 -7.944 1.00 0.00 C ATOM 498 CG GLU A 31 -6.085 1.222 -8.327 1.00 0.00 C ATOM 499 CD GLU A 31 -6.863 0.974 -9.598 1.00 0.00 C ATOM 500 OE1 GLU A 31 -6.237 0.726 -10.647 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.111 1.008 -9.548 1.00 0.00 O ATOM 0 H GLU A 31 -3.756 1.864 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.592 0.121 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.343 0.015 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.762 -0.878 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.781 1.432 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.464 2.109 -8.452 1.00 0.00 H new ATOM 508 N LYS A 32 -2.599 -1.083 -6.385 1.00 0.00 N ATOM 509 CA LYS A 32 -1.728 -2.173 -5.965 1.00 0.00 C ATOM 510 C LYS A 32 -1.774 -2.313 -4.451 1.00 0.00 C ATOM 511 O LYS A 32 -1.990 -3.401 -3.924 1.00 0.00 O ATOM 512 CB LYS A 32 -0.283 -1.952 -6.423 1.00 0.00 C ATOM 513 CG LYS A 32 -0.077 -2.116 -7.922 1.00 0.00 C ATOM 514 CD LYS A 32 1.401 -2.163 -8.285 1.00 0.00 C ATOM 515 CE LYS A 32 2.107 -3.344 -7.629 1.00 0.00 C ATOM 516 NZ LYS A 32 1.564 -4.652 -8.084 1.00 0.00 N ATOM 0 H LYS A 32 -2.125 -0.308 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.089 -3.089 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.031 -0.950 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.365 -2.654 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.564 -3.031 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.555 -1.289 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.508 -2.231 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.881 -1.235 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.173 -3.298 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.006 -3.268 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.170 -5.421 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.599 -4.775 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.543 -4.676 -9.123 1.00 0.00 H new ATOM 530 N LEU A 33 -1.594 -1.193 -3.759 1.00 0.00 N ATOM 531 CA LEU A 33 -1.649 -1.180 -2.305 1.00 0.00 C ATOM 532 C LEU A 33 -3.009 -1.639 -1.801 1.00 0.00 C ATOM 533 O LEU A 33 -3.083 -2.403 -0.851 1.00 0.00 O ATOM 534 CB LEU A 33 -1.327 0.209 -1.759 1.00 0.00 C ATOM 535 CG LEU A 33 0.152 0.589 -1.803 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.355 2.002 -1.282 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.977 -0.404 -0.994 1.00 0.00 C ATOM 0 H LEU A 33 -1.409 -0.284 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.896 -1.879 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.894 0.947 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.672 0.267 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 33 0.488 0.555 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.414 2.255 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.208 2.702 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.005 2.064 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.029 -0.121 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.639 -0.399 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.854 -1.404 -1.411 1.00 0.00 H new ATOM 549 N LYS A 34 -4.080 -1.176 -2.441 1.00 0.00 N ATOM 550 CA LYS A 34 -5.432 -1.610 -2.093 1.00 0.00 C ATOM 551 C LYS A 34 -5.544 -3.129 -2.170 1.00 0.00 C ATOM 552 O LYS A 34 -5.946 -3.778 -1.204 1.00 0.00 O ATOM 553 CB LYS A 34 -6.465 -0.975 -3.032 1.00 0.00 C ATOM 554 CG LYS A 34 -6.638 0.526 -2.856 1.00 0.00 C ATOM 555 CD LYS A 34 -7.570 1.101 -3.918 1.00 0.00 C ATOM 556 CE LYS A 34 -8.922 0.403 -3.908 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.829 0.902 -4.975 1.00 0.00 N ATOM 0 H LYS A 34 -4.039 -0.500 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.634 -1.287 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.173 -1.176 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.428 -1.460 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.039 0.735 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.666 1.017 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.709 2.168 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.112 0.996 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.774 -0.670 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.395 0.548 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.736 0.395 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.994 1.920 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.393 0.740 -5.905 1.00 0.00 H new ATOM 571 N GLY A 35 -5.157 -3.687 -3.311 1.00 0.00 N ATOM 572 CA GLY A 35 -5.252 -5.121 -3.508 1.00 0.00 C ATOM 573 C GLY A 35 -4.337 -5.895 -2.582 1.00 0.00 C ATOM 574 O GLY A 35 -4.730 -6.915 -2.006 1.00 0.00 O ATOM 0 H GLY A 35 -4.778 -3.171 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.282 -5.439 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.004 -5.360 -4.542 1.00 0.00 H new ATOM 578 N GLU A 36 -3.112 -5.414 -2.433 1.00 0.00 N ATOM 579 CA GLU A 36 -2.134 -6.062 -1.573 1.00 0.00 C ATOM 580 C GLU A 36 -2.486 -5.886 -0.099 1.00 0.00 C ATOM 581 O GLU A 36 -2.016 -6.635 0.750 1.00 0.00 O ATOM 582 CB GLU A 36 -0.727 -5.529 -1.858 1.00 0.00 C ATOM 583 CG GLU A 36 0.033 -6.329 -2.910 1.00 0.00 C ATOM 584 CD GLU A 36 -0.628 -6.328 -4.273 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.632 -7.047 -4.451 1.00 0.00 O ATOM 586 OE2 GLU A 36 -0.125 -5.636 -5.183 1.00 0.00 O ATOM 0 H GLU A 36 -2.771 -4.573 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.152 -7.129 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.801 -4.492 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.154 -5.529 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.040 -5.923 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.135 -7.358 -2.567 1.00 0.00 H new ATOM 593 N LEU A 37 -3.315 -4.902 0.204 1.00 0.00 N ATOM 594 CA LEU A 37 -3.753 -4.670 1.571 1.00 0.00 C ATOM 595 C LEU A 37 -4.976 -5.524 1.905 1.00 0.00 C ATOM 596 O LEU A 37 -5.081 -6.066 3.005 1.00 0.00 O ATOM 597 CB LEU A 37 -4.060 -3.185 1.777 1.00 0.00 C ATOM 598 CG LEU A 37 -4.517 -2.786 3.179 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.527 -3.264 4.227 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.690 -1.279 3.261 1.00 0.00 C ATOM 0 H LEU A 37 -3.699 -4.249 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.948 -4.960 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.166 -2.612 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.833 -2.892 1.067 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.477 -3.263 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.874 -2.968 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.444 -4.350 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.551 -2.818 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.016 -1.004 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.740 -0.791 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.438 -0.959 2.536 1.00 0.00 H new ATOM 612 N GLU A 38 -5.890 -5.664 0.950 1.00 0.00 N ATOM 613 CA GLU A 38 -7.106 -6.438 1.181 1.00 0.00 C ATOM 614 C GLU A 38 -6.822 -7.937 1.209 1.00 0.00 C ATOM 615 O GLU A 38 -7.616 -8.712 1.742 1.00 0.00 O ATOM 616 CB GLU A 38 -8.180 -6.116 0.137 1.00 0.00 C ATOM 617 CG GLU A 38 -7.782 -6.422 -1.296 1.00 0.00 C ATOM 618 CD GLU A 38 -8.847 -6.004 -2.284 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.807 -6.775 -2.491 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.745 -4.893 -2.845 1.00 0.00 O ATOM 0 H GLU A 38 -5.814 -5.257 0.018 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.486 -6.149 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.082 -6.679 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.435 -5.059 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.849 -5.909 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.592 -7.490 -1.399 1.00 0.00 H new ATOM 627 N LYS A 39 -5.692 -8.354 0.639 1.00 0.00 N ATOM 628 CA LYS A 39 -5.289 -9.755 0.729 1.00 0.00 C ATOM 629 C LYS A 39 -4.642 -10.041 2.084 1.00 0.00 C ATOM 630 O LYS A 39 -4.313 -11.185 2.401 1.00 0.00 O ATOM 631 CB LYS A 39 -4.352 -10.150 -0.418 1.00 0.00 C ATOM 632 CG LYS A 39 -3.110 -9.283 -0.546 1.00 0.00 C ATOM 633 CD LYS A 39 -2.156 -9.818 -1.609 1.00 0.00 C ATOM 634 CE LYS A 39 -2.851 -10.035 -2.949 1.00 0.00 C ATOM 635 NZ LYS A 39 -3.358 -8.768 -3.536 1.00 0.00 N ATOM 0 H LYS A 39 -5.051 -7.754 0.120 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.188 -10.365 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.043 -11.186 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.907 -10.107 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.402 -8.264 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.597 -9.238 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.330 -9.119 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.726 -10.760 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.154 -10.501 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.681 -10.729 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.837 -8.970 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.031 -8.325 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.562 -8.120 -3.705 1.00 0.00 H new ATOM 649 N ILE A 40 -4.464 -8.991 2.872 1.00 0.00 N ATOM 650 CA ILE A 40 -4.014 -9.123 4.249 1.00 0.00 C ATOM 651 C ILE A 40 -5.225 -9.036 5.180 1.00 0.00 C ATOM 652 O ILE A 40 -6.183 -8.320 4.885 1.00 0.00 O ATOM 653 CB ILE A 40 -2.958 -8.035 4.613 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.539 -8.516 4.288 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.037 -7.627 6.080 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.270 -8.721 2.815 1.00 0.00 C ATOM 0 H ILE A 40 -4.627 -8.028 2.577 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.529 -10.092 4.369 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.189 -7.160 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.825 -7.791 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.358 -9.455 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.283 -6.868 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.027 -7.223 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.857 -8.498 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.244 -9.061 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.957 -9.470 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.415 -7.780 2.284 1.00 0.00 H new ATOM 668 N SER A 41 -5.193 -9.789 6.275 1.00 0.00 N ATOM 669 CA SER A 41 -6.290 -9.795 7.236 1.00 0.00 C ATOM 670 C SER A 41 -6.578 -8.381 7.747 1.00 0.00 C ATOM 671 O SER A 41 -5.666 -7.638 8.125 1.00 0.00 O ATOM 672 CB SER A 41 -5.954 -10.721 8.404 1.00 0.00 C ATOM 673 OG SER A 41 -7.054 -10.876 9.279 1.00 0.00 O ATOM 0 H SER A 41 -4.417 -10.404 6.519 1.00 0.00 H new ATOM 0 HA SER A 41 -7.185 -10.162 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.653 -11.696 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.104 -10.319 8.955 1.00 0.00 H new ATOM 0 HG SER A 41 -6.742 -10.837 10.207 1.00 0.00 H new ATOM 679 N PHE A 42 -7.854 -8.025 7.776 1.00 0.00 N ATOM 680 CA PHE A 42 -8.274 -6.678 8.142 1.00 0.00 C ATOM 681 C PHE A 42 -8.030 -6.416 9.626 1.00 0.00 C ATOM 682 O PHE A 42 -7.967 -5.268 10.065 1.00 0.00 O ATOM 683 CB PHE A 42 -9.757 -6.485 7.799 1.00 0.00 C ATOM 684 CG PHE A 42 -10.242 -5.064 7.901 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.958 -4.148 6.900 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.995 -4.651 8.989 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.417 -2.847 6.985 1.00 0.00 C ATOM 688 CE2 PHE A 42 -11.454 -3.351 9.079 1.00 0.00 C ATOM 689 CZ PHE A 42 -11.164 -2.448 8.076 1.00 0.00 C ATOM 0 H PHE A 42 -8.623 -8.655 7.549 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.681 -5.962 7.573 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.932 -6.843 6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.355 -7.108 8.464 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.373 -4.454 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.226 -5.354 9.776 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.191 -2.142 6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.039 -3.042 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.521 -1.431 8.144 1.00 0.00 H new ATOM 699 N SER A 43 -7.877 -7.484 10.393 1.00 0.00 N ATOM 700 CA SER A 43 -7.640 -7.364 11.821 1.00 0.00 C ATOM 701 C SER A 43 -6.149 -7.383 12.130 1.00 0.00 C ATOM 702 O SER A 43 -5.735 -7.131 13.263 1.00 0.00 O ATOM 703 CB SER A 43 -8.340 -8.508 12.554 1.00 0.00 C ATOM 704 OG SER A 43 -8.001 -9.761 11.975 1.00 0.00 O ATOM 0 H SER A 43 -7.913 -8.444 10.049 1.00 0.00 H new ATOM 0 HA SER A 43 -8.045 -6.411 12.161 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.056 -8.500 13.606 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.420 -8.364 12.515 1.00 0.00 H new ATOM 0 HG SER A 43 -7.026 -9.857 11.950 1.00 0.00 H new ATOM 710 N ASP A 44 -5.347 -7.672 11.114 1.00 0.00 N ATOM 711 CA ASP A 44 -3.919 -7.884 11.309 1.00 0.00 C ATOM 712 C ASP A 44 -3.086 -6.825 10.598 1.00 0.00 C ATOM 713 O ASP A 44 -1.874 -6.742 10.798 1.00 0.00 O ATOM 714 CB ASP A 44 -3.535 -9.285 10.829 1.00 0.00 C ATOM 715 CG ASP A 44 -4.208 -10.375 11.644 1.00 0.00 C ATOM 716 OD1 ASP A 44 -5.426 -10.608 11.460 1.00 0.00 O ATOM 717 OD2 ASP A 44 -3.522 -11.004 12.474 1.00 0.00 O ATOM 0 H ASP A 44 -5.660 -7.765 10.148 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.706 -7.797 12.374 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.810 -9.396 9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.453 -9.404 10.889 1.00 0.00 H new ATOM 722 N LEU A 45 -3.738 -6.016 9.769 1.00 0.00 N ATOM 723 CA LEU A 45 -3.068 -4.908 9.102 1.00 0.00 C ATOM 724 C LEU A 45 -2.667 -3.833 10.118 1.00 0.00 C ATOM 725 O LEU A 45 -3.231 -3.779 11.214 1.00 0.00 O ATOM 726 CB LEU A 45 -3.955 -4.338 7.978 1.00 0.00 C ATOM 727 CG LEU A 45 -5.436 -4.109 8.315 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.622 -2.900 9.223 1.00 0.00 C ATOM 729 CD2 LEU A 45 -6.246 -3.944 7.035 1.00 0.00 C ATOM 0 H LEU A 45 -4.729 -6.108 9.544 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.152 -5.275 8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.528 -3.388 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.901 -5.015 7.126 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.797 -4.985 8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.682 -2.768 9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.077 -3.057 10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.240 -2.009 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.294 -3.782 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.871 -3.088 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.153 -4.844 6.427 1.00 0.00 H new ATOM 741 N PRO A 46 -1.674 -2.987 9.770 1.00 0.00 N ATOM 742 CA PRO A 46 -1.124 -1.962 10.673 1.00 0.00 C ATOM 743 C PRO A 46 -2.183 -1.178 11.453 1.00 0.00 C ATOM 744 O PRO A 46 -3.253 -0.856 10.937 1.00 0.00 O ATOM 745 CB PRO A 46 -0.372 -1.037 9.719 1.00 0.00 C ATOM 746 CG PRO A 46 0.092 -1.938 8.630 1.00 0.00 C ATOM 747 CD PRO A 46 -0.989 -2.974 8.459 1.00 0.00 C ATOM 0 HA PRO A 46 -0.511 -2.414 11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.019 -0.249 9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.466 -0.548 10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.250 -1.383 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.043 -2.405 8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.673 -2.709 7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.572 -3.951 8.216 1.00 0.00 H new ATOM 755 N LEU A 47 -1.847 -0.858 12.696 1.00 0.00 N ATOM 756 CA LEU A 47 -2.752 -0.182 13.618 1.00 0.00 C ATOM 757 C LEU A 47 -3.210 1.177 13.079 1.00 0.00 C ATOM 758 O LEU A 47 -4.315 1.633 13.376 1.00 0.00 O ATOM 759 CB LEU A 47 -2.057 -0.016 14.972 1.00 0.00 C ATOM 760 CG LEU A 47 -2.914 0.579 16.089 1.00 0.00 C ATOM 761 CD1 LEU A 47 -4.149 -0.274 16.339 1.00 0.00 C ATOM 762 CD2 LEU A 47 -2.096 0.711 17.362 1.00 0.00 C ATOM 0 H LEU A 47 -0.931 -1.062 13.096 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.646 -0.795 13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.697 -0.992 15.297 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.181 0.618 14.835 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.244 1.570 15.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.742 0.170 17.138 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.746 -0.325 15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.844 -1.279 16.630 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.717 1.136 18.151 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.741 -0.272 17.670 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.243 1.364 17.180 1.00 0.00 H new ATOM 774 N GLU A 48 -2.367 1.823 12.286 1.00 0.00 N ATOM 775 CA GLU A 48 -2.737 3.096 11.676 1.00 0.00 C ATOM 776 C GLU A 48 -3.872 2.904 10.676 1.00 0.00 C ATOM 777 O GLU A 48 -4.762 3.748 10.544 1.00 0.00 O ATOM 778 CB GLU A 48 -1.533 3.733 10.985 1.00 0.00 C ATOM 779 CG GLU A 48 -0.418 4.091 11.947 1.00 0.00 C ATOM 780 CD GLU A 48 -0.922 4.897 13.123 1.00 0.00 C ATOM 781 OE1 GLU A 48 -1.093 6.123 12.979 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.163 4.302 14.195 1.00 0.00 O ATOM 0 H GLU A 48 -1.431 1.493 12.050 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.078 3.763 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.148 3.046 10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.856 4.633 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.055 3.178 12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.348 4.660 11.419 1.00 0.00 H new ATOM 789 N LEU A 49 -3.846 1.770 9.996 1.00 0.00 N ATOM 790 CA LEU A 49 -4.868 1.444 9.017 1.00 0.00 C ATOM 791 C LEU A 49 -6.143 1.022 9.729 1.00 0.00 C ATOM 792 O LEU A 49 -7.227 1.070 9.161 1.00 0.00 O ATOM 793 CB LEU A 49 -4.381 0.331 8.085 1.00 0.00 C ATOM 794 CG LEU A 49 -3.010 0.565 7.447 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.711 -0.518 6.428 1.00 0.00 C ATOM 796 CD2 LEU A 49 -2.937 1.940 6.799 1.00 0.00 C ATOM 0 H LEU A 49 -3.125 1.057 10.105 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.075 2.327 8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.347 -0.602 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.115 0.198 7.290 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.257 0.523 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.733 -0.338 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.713 -1.491 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.473 -0.504 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.952 2.080 6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.700 2.018 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.106 2.708 7.554 1.00 0.00 H new ATOM 808 N GLN A 50 -6.002 0.619 10.985 1.00 0.00 N ATOM 809 CA GLN A 50 -7.150 0.283 11.815 1.00 0.00 C ATOM 810 C GLN A 50 -7.839 1.554 12.299 1.00 0.00 C ATOM 811 O GLN A 50 -9.031 1.546 12.614 1.00 0.00 O ATOM 812 CB GLN A 50 -6.715 -0.570 13.007 1.00 0.00 C ATOM 813 CG GLN A 50 -6.110 -1.902 12.607 1.00 0.00 C ATOM 814 CD GLN A 50 -5.624 -2.703 13.795 1.00 0.00 C ATOM 815 OE1 GLN A 50 -6.155 -2.590 14.899 1.00 0.00 O ATOM 816 NE2 GLN A 50 -4.604 -3.514 13.580 1.00 0.00 N ATOM 0 H GLN A 50 -5.101 0.517 11.452 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.856 -0.293 11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.988 -0.012 13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.577 -0.749 13.650 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.852 -2.484 12.061 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.277 -1.728 11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.192 -3.579 12.649 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.229 -4.075 14.345 1.00 0.00 H new ATOM 825 N LYS A 51 -7.076 2.643 12.375 1.00 0.00 N ATOM 826 CA LYS A 51 -7.638 3.949 12.699 1.00 0.00 C ATOM 827 C LYS A 51 -8.443 4.477 11.520 1.00 0.00 C ATOM 828 O LYS A 51 -9.455 5.156 11.691 1.00 0.00 O ATOM 829 CB LYS A 51 -6.529 4.941 13.050 1.00 0.00 C ATOM 830 CG LYS A 51 -5.745 4.577 14.300 1.00 0.00 C ATOM 831 CD LYS A 51 -4.647 5.591 14.575 1.00 0.00 C ATOM 832 CE LYS A 51 -3.925 5.304 15.883 1.00 0.00 C ATOM 833 NZ LYS A 51 -3.232 3.991 15.868 1.00 0.00 N ATOM 0 H LYS A 51 -6.068 2.645 12.217 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.293 3.836 13.563 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.839 5.011 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.969 5.929 13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.420 4.528 15.154 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.307 3.586 14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.930 5.581 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.077 6.592 14.610 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.199 6.094 16.075 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.642 5.324 16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.594 3.926 16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.936 3.227 15.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.681 3.900 14.991 1.00 0.00 H new ATOM 847 N LEU A 52 -7.976 4.169 10.322 1.00 0.00 N ATOM 848 CA LEU A 52 -8.695 4.532 9.111 1.00 0.00 C ATOM 849 C LEU A 52 -9.833 3.548 8.857 1.00 0.00 C ATOM 850 O LEU A 52 -9.669 2.340 9.014 1.00 0.00 O ATOM 851 CB LEU A 52 -7.735 4.557 7.930 1.00 0.00 C ATOM 852 CG LEU A 52 -6.563 5.527 8.091 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.497 5.258 7.051 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.046 6.964 7.988 1.00 0.00 C ATOM 0 H LEU A 52 -7.102 3.668 10.161 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.124 5.526 9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.341 3.552 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.291 4.823 7.031 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.127 5.373 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.673 5.959 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.128 4.239 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.921 5.382 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.200 7.641 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.507 7.124 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.778 7.159 8.772 1.00 0.00 H new ATOM 866 N ASP A 53 -10.984 4.066 8.465 1.00 0.00 N ATOM 867 CA ASP A 53 -12.177 3.248 8.324 1.00 0.00 C ATOM 868 C ASP A 53 -12.226 2.577 6.960 1.00 0.00 C ATOM 869 O ASP A 53 -12.652 1.428 6.834 1.00 0.00 O ATOM 870 CB ASP A 53 -13.430 4.105 8.502 1.00 0.00 C ATOM 871 CG ASP A 53 -13.435 4.883 9.801 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.769 4.297 10.854 1.00 0.00 O ATOM 873 OD2 ASP A 53 -13.105 6.090 9.772 1.00 0.00 O ATOM 0 H ASP A 53 -11.118 5.051 8.238 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.142 2.478 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.509 4.802 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.310 3.463 8.466 1.00 0.00 H new ATOM 878 N SER A 54 -11.791 3.296 5.938 1.00 0.00 N ATOM 879 CA SER A 54 -11.910 2.815 4.574 1.00 0.00 C ATOM 880 C SER A 54 -10.575 2.290 4.057 1.00 0.00 C ATOM 881 O SER A 54 -9.516 2.832 4.374 1.00 0.00 O ATOM 882 CB SER A 54 -12.433 3.934 3.670 1.00 0.00 C ATOM 883 OG SER A 54 -12.854 3.425 2.415 1.00 0.00 O ATOM 0 H SER A 54 -11.353 4.213 6.028 1.00 0.00 H new ATOM 0 HA SER A 54 -12.619 1.988 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.266 4.440 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.652 4.679 3.520 1.00 0.00 H new ATOM 0 HG SER A 54 -13.185 4.160 1.858 1.00 0.00 H new ATOM 889 N LEU A 55 -10.647 1.239 3.250 1.00 0.00 N ATOM 890 CA LEU A 55 -9.463 0.575 2.713 1.00 0.00 C ATOM 891 C LEU A 55 -8.632 1.505 1.812 1.00 0.00 C ATOM 892 O LEU A 55 -7.420 1.606 1.995 1.00 0.00 O ATOM 893 CB LEU A 55 -9.868 -0.687 1.942 1.00 0.00 C ATOM 894 CG LEU A 55 -8.713 -1.589 1.508 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.093 -2.269 2.717 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.192 -2.619 0.499 1.00 0.00 C ATOM 0 H LEU A 55 -11.528 0.822 2.948 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.835 0.298 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.548 -1.270 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.426 -0.387 1.055 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.951 -0.974 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.272 -2.908 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.715 -1.513 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.847 -2.874 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.356 -3.252 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.971 -3.234 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.592 -2.110 -0.378 1.00 0.00 H new ATOM 908 N PRO A 56 -9.248 2.192 0.815 1.00 0.00 N ATOM 909 CA PRO A 56 -8.522 3.131 -0.050 1.00 0.00 C ATOM 910 C PRO A 56 -7.791 4.208 0.750 1.00 0.00 C ATOM 911 O PRO A 56 -6.664 4.580 0.419 1.00 0.00 O ATOM 912 CB PRO A 56 -9.613 3.761 -0.928 1.00 0.00 C ATOM 913 CG PRO A 56 -10.909 3.387 -0.295 1.00 0.00 C ATOM 914 CD PRO A 56 -10.665 2.093 0.423 1.00 0.00 C ATOM 0 HA PRO A 56 -7.748 2.624 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.499 4.844 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.555 3.389 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.241 4.160 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.691 3.274 -1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.317 1.984 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.846 1.233 -0.222 1.00 0.00 H new ATOM 922 N ALA A 57 -8.430 4.693 1.809 1.00 0.00 N ATOM 923 CA ALA A 57 -7.825 5.694 2.678 1.00 0.00 C ATOM 924 C ALA A 57 -6.588 5.129 3.372 1.00 0.00 C ATOM 925 O ALA A 57 -5.594 5.832 3.567 1.00 0.00 O ATOM 926 CB ALA A 57 -8.837 6.186 3.703 1.00 0.00 C ATOM 0 H ALA A 57 -9.369 4.408 2.086 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.514 6.540 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.371 6.933 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.689 6.630 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.177 5.347 4.310 1.00 0.00 H new ATOM 932 N GLN A 58 -6.653 3.851 3.726 1.00 0.00 N ATOM 933 CA GLN A 58 -5.533 3.168 4.362 1.00 0.00 C ATOM 934 C GLN A 58 -4.325 3.139 3.435 1.00 0.00 C ATOM 935 O GLN A 58 -3.227 3.543 3.819 1.00 0.00 O ATOM 936 CB GLN A 58 -5.929 1.744 4.752 1.00 0.00 C ATOM 937 CG GLN A 58 -7.002 1.680 5.822 1.00 0.00 C ATOM 938 CD GLN A 58 -7.472 0.264 6.093 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.725 -0.696 5.922 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.710 0.124 6.533 1.00 0.00 N ATOM 0 H GLN A 58 -7.475 3.264 3.582 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.266 3.719 5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.282 1.219 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.044 1.214 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.616 2.114 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.853 2.289 5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.301 0.945 6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.075 -0.805 6.743 1.00 0.00 H new ATOM 949 N ALA A 59 -4.545 2.682 2.211 1.00 0.00 N ATOM 950 CA ALA A 59 -3.480 2.595 1.223 1.00 0.00 C ATOM 951 C ALA A 59 -2.912 3.975 0.898 1.00 0.00 C ATOM 952 O ALA A 59 -1.705 4.132 0.706 1.00 0.00 O ATOM 953 CB ALA A 59 -3.996 1.918 -0.035 1.00 0.00 C ATOM 0 H ALA A 59 -5.455 2.365 1.877 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.671 1.996 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.194 1.856 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.343 0.914 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.822 2.497 -0.447 1.00 0.00 H new ATOM 959 N GLN A 60 -3.785 4.971 0.851 1.00 0.00 N ATOM 960 CA GLN A 60 -3.371 6.338 0.566 1.00 0.00 C ATOM 961 C GLN A 60 -2.477 6.863 1.688 1.00 0.00 C ATOM 962 O GLN A 60 -1.419 7.435 1.435 1.00 0.00 O ATOM 963 CB GLN A 60 -4.601 7.236 0.402 1.00 0.00 C ATOM 964 CG GLN A 60 -4.462 8.318 -0.663 1.00 0.00 C ATOM 965 CD GLN A 60 -3.420 9.373 -0.335 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.725 10.383 0.302 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.197 9.164 -0.797 1.00 0.00 N ATOM 0 H GLN A 60 -4.787 4.858 1.007 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.803 6.348 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.460 6.611 0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.817 7.712 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.204 7.849 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.427 8.805 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.988 8.314 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.464 9.853 -0.630 1.00 0.00 H new ATOM 976 N HIS A 61 -2.894 6.630 2.928 1.00 0.00 N ATOM 977 CA HIS A 61 -2.138 7.091 4.092 1.00 0.00 C ATOM 978 C HIS A 61 -0.759 6.439 4.138 1.00 0.00 C ATOM 979 O HIS A 61 0.181 7.000 4.704 1.00 0.00 O ATOM 980 CB HIS A 61 -2.908 6.807 5.383 1.00 0.00 C ATOM 981 CG HIS A 61 -2.268 7.388 6.611 1.00 0.00 C ATOM 982 ND1 HIS A 61 -2.252 8.737 6.883 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.618 6.794 7.641 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.622 8.949 8.021 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.229 7.788 8.500 1.00 0.00 N ATOM 0 H HIS A 61 -3.751 6.125 3.155 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.003 8.169 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.918 7.206 5.288 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.002 5.728 5.509 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.440 5.736 7.762 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.456 9.912 8.482 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.717 7.650 9.371 1.00 0.00 H new ATOM 994 N LEU A 62 -0.641 5.255 3.551 1.00 0.00 N ATOM 995 CA LEU A 62 0.655 4.611 3.412 1.00 0.00 C ATOM 996 C LEU A 62 1.546 5.460 2.517 1.00 0.00 C ATOM 997 O LEU A 62 2.668 5.806 2.883 1.00 0.00 O ATOM 998 CB LEU A 62 0.507 3.204 2.830 1.00 0.00 C ATOM 999 CG LEU A 62 -0.248 2.209 3.715 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.440 0.883 2.995 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.489 1.998 5.030 1.00 0.00 C ATOM 0 H LEU A 62 -1.423 4.725 3.166 1.00 0.00 H new ATOM 0 HA LEU A 62 1.110 4.519 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.008 3.277 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.501 2.805 2.629 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.232 2.626 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.979 0.192 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.012 1.045 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.533 0.461 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.062 1.288 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.486 1.607 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.571 2.948 5.557 1.00 0.00 H new ATOM 1013 N ILE A 63 1.016 5.826 1.356 1.00 0.00 N ATOM 1014 CA ILE A 63 1.725 6.695 0.421 1.00 0.00 C ATOM 1015 C ILE A 63 2.124 8.007 1.104 1.00 0.00 C ATOM 1016 O ILE A 63 3.168 8.591 0.797 1.00 0.00 O ATOM 1017 CB ILE A 63 0.857 7.002 -0.825 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.400 5.699 -1.491 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.625 7.863 -1.822 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.615 5.901 -2.600 1.00 0.00 C ATOM 0 H ILE A 63 0.092 5.533 1.037 1.00 0.00 H new ATOM 0 HA ILE A 63 2.624 6.169 0.098 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.022 7.557 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.271 5.185 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.030 5.046 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.995 8.066 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.906 8.804 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.524 7.335 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.890 4.934 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.504 6.386 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.182 6.528 -3.380 1.00 0.00 H new ATOM 1032 N ASP A 64 1.296 8.453 2.043 1.00 0.00 N ATOM 1033 CA ASP A 64 1.580 9.660 2.811 1.00 0.00 C ATOM 1034 C ASP A 64 2.759 9.463 3.756 1.00 0.00 C ATOM 1035 O ASP A 64 3.836 10.014 3.538 1.00 0.00 O ATOM 1036 CB ASP A 64 0.362 10.105 3.629 1.00 0.00 C ATOM 1037 CG ASP A 64 -0.723 10.745 2.791 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -0.438 11.750 2.101 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -1.872 10.269 2.843 1.00 0.00 O ATOM 0 H ASP A 64 0.419 7.994 2.291 1.00 0.00 H new ATOM 0 HA ASP A 64 1.830 10.433 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.053 9.241 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.685 10.812 4.393 1.00 0.00 H new ATOM 1044 N THR A 65 2.561 8.664 4.796 1.00 0.00 N ATOM 1045 CA THR A 65 3.512 8.620 5.899 1.00 0.00 C ATOM 1046 C THR A 65 4.413 7.387 5.893 1.00 0.00 C ATOM 1047 O THR A 65 5.611 7.497 6.155 1.00 0.00 O ATOM 1048 CB THR A 65 2.778 8.685 7.254 1.00 0.00 C ATOM 1049 OG1 THR A 65 1.782 7.658 7.324 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.124 10.043 7.454 1.00 0.00 C ATOM 0 H THR A 65 1.758 8.043 4.899 1.00 0.00 H new ATOM 0 HA THR A 65 4.151 9.492 5.760 1.00 0.00 H new ATOM 0 HB THR A 65 3.513 8.533 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.205 6.808 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.613 10.063 8.417 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.887 10.821 7.432 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.402 10.220 6.657 1.00 0.00 H new ATOM 1058 N SER A 66 3.860 6.223 5.590 1.00 0.00 N ATOM 1059 CA SER A 66 4.563 4.978 5.880 1.00 0.00 C ATOM 1060 C SER A 66 4.672 4.064 4.663 1.00 0.00 C ATOM 1061 O SER A 66 3.667 3.682 4.068 1.00 0.00 O ATOM 1062 CB SER A 66 3.822 4.250 7.003 1.00 0.00 C ATOM 1063 OG SER A 66 3.510 5.143 8.065 1.00 0.00 O ATOM 0 H SER A 66 2.945 6.111 5.152 1.00 0.00 H new ATOM 0 HA SER A 66 5.581 5.230 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.905 3.808 6.613 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.436 3.431 7.379 1.00 0.00 H new ATOM 0 HG SER A 66 3.035 4.658 8.772 1.00 0.00 H new ATOM 1069 N CYS A 67 5.890 3.671 4.325 1.00 0.00 N ATOM 1070 CA CYS A 67 6.094 2.727 3.242 1.00 0.00 C ATOM 1071 C CYS A 67 6.669 1.427 3.789 1.00 0.00 C ATOM 1072 O CYS A 67 7.859 1.339 4.095 1.00 0.00 O ATOM 1073 CB CYS A 67 7.020 3.330 2.179 1.00 0.00 C ATOM 1074 SG CYS A 67 8.585 3.955 2.834 1.00 0.00 S ATOM 0 H CYS A 67 6.745 3.989 4.782 1.00 0.00 H new ATOM 0 HA CYS A 67 5.135 2.510 2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.231 2.573 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 67 6.497 4.144 1.677 1.00 0.00 H new ATOM 0 HG CYS A 67 9.028 3.143 3.747 1.00 0.00 H new ATOM 1080 N GLU A 68 5.801 0.434 3.936 1.00 0.00 N ATOM 1081 CA GLU A 68 6.182 -0.871 4.460 1.00 0.00 C ATOM 1082 C GLU A 68 5.010 -1.840 4.361 1.00 0.00 C ATOM 1083 O GLU A 68 3.916 -1.547 4.848 1.00 0.00 O ATOM 1084 CB GLU A 68 6.658 -0.749 5.914 1.00 0.00 C ATOM 1085 CG GLU A 68 5.694 0.003 6.816 1.00 0.00 C ATOM 1086 CD GLU A 68 6.259 0.234 8.196 1.00 0.00 C ATOM 1087 OE1 GLU A 68 6.913 1.277 8.408 1.00 0.00 O ATOM 1088 OE2 GLU A 68 6.049 -0.629 9.078 1.00 0.00 O ATOM 0 H GLU A 68 4.813 0.511 3.695 1.00 0.00 H new ATOM 0 HA GLU A 68 7.006 -1.259 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.815 -1.748 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.624 -0.243 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.449 0.963 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.763 -0.558 6.897 1.00 0.00 H new ATOM 1095 N LEU A 69 5.226 -2.979 3.719 1.00 0.00 N ATOM 1096 CA LEU A 69 4.179 -3.980 3.576 1.00 0.00 C ATOM 1097 C LEU A 69 4.748 -5.302 3.077 1.00 0.00 C ATOM 1098 O LEU A 69 5.532 -5.333 2.132 1.00 0.00 O ATOM 1099 CB LEU A 69 3.091 -3.488 2.609 1.00 0.00 C ATOM 1100 CG LEU A 69 1.886 -4.421 2.444 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.134 -4.564 3.761 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.964 -3.908 1.344 1.00 0.00 C ATOM 0 H LEU A 69 6.116 -3.233 3.289 1.00 0.00 H new ATOM 0 HA LEU A 69 3.738 -4.140 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.733 -2.518 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.543 -3.330 1.630 1.00 0.00 H new ATOM 0 HG LEU A 69 2.248 -5.407 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.282 -5.230 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.800 -4.979 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.781 -3.586 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.113 -4.581 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.608 -2.911 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.511 -3.864 0.402 1.00 0.00 H new ATOM 1114 N ASP A 70 4.379 -6.390 3.733 1.00 0.00 N ATOM 1115 CA ASP A 70 4.648 -7.717 3.200 1.00 0.00 C ATOM 1116 C ASP A 70 3.327 -8.342 2.784 1.00 0.00 C ATOM 1117 O ASP A 70 2.290 -8.068 3.388 1.00 0.00 O ATOM 1118 CB ASP A 70 5.385 -8.614 4.205 1.00 0.00 C ATOM 1119 CG ASP A 70 4.500 -9.138 5.317 1.00 0.00 C ATOM 1120 OD1 ASP A 70 3.848 -10.184 5.120 1.00 0.00 O ATOM 1121 OD2 ASP A 70 4.477 -8.526 6.405 1.00 0.00 O ATOM 0 H ASP A 70 3.895 -6.382 4.631 1.00 0.00 H new ATOM 0 HA ASP A 70 5.310 -7.621 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.822 -9.458 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.210 -8.052 4.643 1.00 0.00 H new ATOM 1126 N VAL A 71 3.355 -9.170 1.754 1.00 0.00 N ATOM 1127 CA VAL A 71 2.121 -9.682 1.173 1.00 0.00 C ATOM 1128 C VAL A 71 2.050 -11.200 1.243 1.00 0.00 C ATOM 1129 O VAL A 71 1.275 -11.829 0.520 1.00 0.00 O ATOM 1130 CB VAL A 71 1.965 -9.218 -0.292 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.839 -7.706 -0.349 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.135 -9.688 -1.146 1.00 0.00 C ATOM 0 H VAL A 71 4.209 -9.501 1.305 1.00 0.00 H new ATOM 0 HA VAL A 71 1.300 -9.276 1.764 1.00 0.00 H new ATOM 0 HB VAL A 71 1.057 -9.665 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.730 -7.389 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.964 -7.392 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.733 -7.250 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.997 -9.346 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.063 -9.278 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.183 -10.777 -1.130 1.00 0.00 H new ATOM 1142 N GLY A 72 2.843 -11.784 2.125 1.00 0.00 N ATOM 1143 CA GLY A 72 2.830 -13.221 2.286 1.00 0.00 C ATOM 1144 C GLY A 72 4.143 -13.749 2.805 1.00 0.00 C ATOM 1145 O GLY A 72 5.036 -12.976 3.162 1.00 0.00 O ATOM 0 H GLY A 72 3.496 -11.289 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.031 -13.500 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.605 -13.690 1.328 1.00 0.00 H new ATOM 1149 N ALA A 73 4.265 -15.065 2.827 1.00 0.00 N ATOM 1150 CA ALA A 73 5.459 -15.721 3.327 1.00 0.00 C ATOM 1151 C ALA A 73 6.575 -15.671 2.291 1.00 0.00 C ATOM 1152 O ALA A 73 6.596 -16.460 1.341 1.00 0.00 O ATOM 1153 CB ALA A 73 5.149 -17.159 3.711 1.00 0.00 C ATOM 0 H ALA A 73 3.542 -15.706 2.500 1.00 0.00 H new ATOM 0 HA ALA A 73 5.798 -15.190 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.054 -17.639 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.385 -17.171 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.786 -17.699 2.836 1.00 0.00 H new ATOM 1159 N GLY A 74 7.469 -14.708 2.456 1.00 0.00 N ATOM 1160 CA GLY A 74 8.630 -14.613 1.592 1.00 0.00 C ATOM 1161 C GLY A 74 8.465 -13.589 0.489 1.00 0.00 C ATOM 1162 O GLY A 74 9.344 -13.439 -0.356 1.00 0.00 O ATOM 0 H GLY A 74 7.412 -13.987 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.502 -14.355 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.826 -15.589 1.148 1.00 0.00 H new ATOM 1166 N LYS A 75 7.342 -12.882 0.490 1.00 0.00 N ATOM 1167 CA LYS A 75 7.106 -11.842 -0.497 1.00 0.00 C ATOM 1168 C LYS A 75 6.623 -10.557 0.166 1.00 0.00 C ATOM 1169 O LYS A 75 5.835 -10.584 1.116 1.00 0.00 O ATOM 1170 CB LYS A 75 6.116 -12.315 -1.566 1.00 0.00 C ATOM 1171 CG LYS A 75 4.841 -12.923 -1.014 1.00 0.00 C ATOM 1172 CD LYS A 75 3.908 -13.341 -2.139 1.00 0.00 C ATOM 1173 CE LYS A 75 2.698 -14.090 -1.605 1.00 0.00 C ATOM 1174 NZ LYS A 75 1.787 -14.544 -2.687 1.00 0.00 N ATOM 0 H LYS A 75 6.585 -13.011 1.161 1.00 0.00 H new ATOM 0 HA LYS A 75 8.054 -11.627 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.855 -11.469 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.610 -13.051 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.083 -13.788 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.339 -12.202 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.579 -12.459 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.447 -13.973 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.034 -14.954 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.149 -13.445 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.978 -15.049 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.443 -13.720 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.300 -15.182 -3.328 1.00 0.00 H new ATOM 1188 N TYR A 76 7.104 -9.437 -0.342 1.00 0.00 N ATOM 1189 CA TYR A 76 6.821 -8.136 0.242 1.00 0.00 C ATOM 1190 C TYR A 76 6.528 -7.107 -0.845 1.00 0.00 C ATOM 1191 O TYR A 76 6.726 -7.371 -2.034 1.00 0.00 O ATOM 1192 CB TYR A 76 8.012 -7.673 1.090 1.00 0.00 C ATOM 1193 CG TYR A 76 9.282 -7.446 0.293 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.091 -8.511 -0.089 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.665 -6.165 -0.089 1.00 0.00 C ATOM 1196 CE1 TYR A 76 11.246 -8.305 -0.821 1.00 0.00 C ATOM 1197 CE2 TYR A 76 10.817 -5.953 -0.823 1.00 0.00 C ATOM 1198 CZ TYR A 76 11.603 -7.024 -1.188 1.00 0.00 C ATOM 1199 OH TYR A 76 12.750 -6.814 -1.919 1.00 0.00 O ATOM 0 H TYR A 76 7.700 -9.402 -1.169 1.00 0.00 H new ATOM 0 HA TYR A 76 5.940 -8.228 0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.744 -6.748 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.207 -8.417 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.812 -9.516 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.052 -5.321 0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.866 -9.143 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.100 -4.951 -1.109 1.00 0.00 H new ATOM 0 HH TYR A 76 12.855 -5.856 -2.095 1.00 0.00 H new ATOM 1209 N LEU A 77 6.063 -5.942 -0.426 1.00 0.00 N ATOM 1210 CA LEU A 77 5.792 -4.845 -1.338 1.00 0.00 C ATOM 1211 C LEU A 77 6.310 -3.541 -0.738 1.00 0.00 C ATOM 1212 O LEU A 77 5.789 -3.063 0.269 1.00 0.00 O ATOM 1213 CB LEU A 77 4.287 -4.731 -1.599 1.00 0.00 C ATOM 1214 CG LEU A 77 3.883 -3.681 -2.632 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.295 -4.119 -4.024 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.387 -3.416 -2.574 1.00 0.00 C ATOM 0 H LEU A 77 5.864 -5.731 0.552 1.00 0.00 H new ATOM 0 HA LEU A 77 6.299 -5.038 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.917 -5.702 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.788 -4.502 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 77 4.402 -2.752 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.999 -3.359 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.376 -4.251 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.806 -5.062 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.121 -2.665 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.846 -4.339 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.120 -3.053 -1.581 1.00 0.00 H new ATOM 1228 N GLN A 78 7.339 -2.970 -1.347 1.00 0.00 N ATOM 1229 CA GLN A 78 7.923 -1.736 -0.843 1.00 0.00 C ATOM 1230 C GLN A 78 8.111 -0.723 -1.960 1.00 0.00 C ATOM 1231 O GLN A 78 8.505 -1.071 -3.071 1.00 0.00 O ATOM 1232 CB GLN A 78 9.258 -2.010 -0.149 1.00 0.00 C ATOM 1233 CG GLN A 78 9.110 -2.780 1.154 1.00 0.00 C ATOM 1234 CD GLN A 78 10.431 -3.026 1.855 1.00 0.00 C ATOM 1235 OE1 GLN A 78 10.590 -4.017 2.569 1.00 0.00 O ATOM 1236 NE2 GLN A 78 11.385 -2.127 1.668 1.00 0.00 N ATOM 0 H GLN A 78 7.785 -3.339 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 78 7.231 -1.317 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.902 -2.573 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.757 -1.062 0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.449 -2.228 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.630 -3.737 0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.214 -1.319 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.291 -2.242 2.123 1.00 0.00 H new ATOM 1245 N TRP A 79 7.824 0.527 -1.648 1.00 0.00 N ATOM 1246 CA TRP A 79 7.905 1.603 -2.617 1.00 0.00 C ATOM 1247 C TRP A 79 8.586 2.809 -1.988 1.00 0.00 C ATOM 1248 O TRP A 79 8.454 3.045 -0.786 1.00 0.00 O ATOM 1249 CB TRP A 79 6.497 1.985 -3.109 1.00 0.00 C ATOM 1250 CG TRP A 79 5.611 2.577 -2.042 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.278 3.895 -1.893 1.00 0.00 C ATOM 1252 CD2 TRP A 79 4.951 1.877 -0.976 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.456 4.055 -0.804 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.242 2.834 -0.223 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.892 0.538 -0.581 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.486 2.494 0.894 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.141 0.202 0.530 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.448 1.177 1.257 1.00 0.00 C ATOM 0 H TRP A 79 7.529 0.824 -0.718 1.00 0.00 H new ATOM 0 HA TRP A 79 8.492 1.267 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.591 2.700 -3.926 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.013 1.097 -3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.613 4.694 -2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.068 4.941 -0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.424 -0.222 -1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.948 3.244 1.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.088 -0.830 0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.872 0.883 2.122 1.00 0.00 H new ATOM 1269 N TYR A 80 9.327 3.558 -2.787 1.00 0.00 N ATOM 1270 CA TYR A 80 9.934 4.790 -2.310 1.00 0.00 C ATOM 1271 C TYR A 80 9.855 5.871 -3.379 1.00 0.00 C ATOM 1272 O TYR A 80 9.817 5.575 -4.578 1.00 0.00 O ATOM 1273 CB TYR A 80 11.383 4.571 -1.834 1.00 0.00 C ATOM 1274 CG TYR A 80 12.333 4.006 -2.869 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.445 2.634 -3.064 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.136 4.843 -3.633 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.328 2.114 -3.992 1.00 0.00 C ATOM 1278 CE2 TYR A 80 14.018 4.332 -4.564 1.00 0.00 C ATOM 1279 CZ TYR A 80 14.112 2.968 -4.741 1.00 0.00 C ATOM 1280 OH TYR A 80 14.990 2.457 -5.673 1.00 0.00 O ATOM 0 H TYR A 80 9.522 3.337 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 80 9.367 5.126 -1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.780 5.524 -1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.367 3.899 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.832 1.963 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.069 5.912 -3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.404 1.046 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.632 4.998 -5.152 1.00 0.00 H new ATOM 0 HH TYR A 80 15.464 3.193 -6.114 1.00 0.00 H new ATOM 1290 N ALA A 81 9.803 7.121 -2.938 1.00 0.00 N ATOM 1291 CA ALA A 81 9.610 8.250 -3.835 1.00 0.00 C ATOM 1292 C ALA A 81 10.862 8.537 -4.650 1.00 0.00 C ATOM 1293 O ALA A 81 11.925 8.840 -4.104 1.00 0.00 O ATOM 1294 CB ALA A 81 9.191 9.485 -3.048 1.00 0.00 C ATOM 0 H ALA A 81 9.893 7.379 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 81 8.815 7.989 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.050 10.322 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.257 9.283 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.966 9.735 -2.324 1.00 0.00 H new ATOM 1300 N VAL A 82 10.733 8.418 -5.962 1.00 0.00 N ATOM 1301 CA VAL A 82 11.809 8.770 -6.869 1.00 0.00 C ATOM 1302 C VAL A 82 11.514 10.094 -7.557 1.00 0.00 C ATOM 1303 O VAL A 82 10.659 10.184 -8.436 1.00 0.00 O ATOM 1304 CB VAL A 82 12.071 7.675 -7.928 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.895 6.549 -7.326 1.00 0.00 C ATOM 1306 CG2 VAL A 82 10.766 7.133 -8.500 1.00 0.00 C ATOM 0 H VAL A 82 9.889 8.078 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 82 12.712 8.865 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 82 12.632 8.125 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.073 5.784 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.849 6.943 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.355 6.111 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.985 6.365 -9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.168 6.702 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.210 7.944 -8.971 1.00 0.00 H new ATOM 1316 N ARG A 83 12.204 11.130 -7.124 1.00 0.00 N ATOM 1317 CA ARG A 83 12.042 12.444 -7.708 1.00 0.00 C ATOM 1318 C ARG A 83 13.318 12.833 -8.434 1.00 0.00 C ATOM 1319 O ARG A 83 14.389 12.905 -7.829 1.00 0.00 O ATOM 1320 CB ARG A 83 11.684 13.463 -6.619 1.00 0.00 C ATOM 1321 CG ARG A 83 10.310 13.211 -6.004 1.00 0.00 C ATOM 1322 CD ARG A 83 10.031 14.105 -4.805 1.00 0.00 C ATOM 1323 NE ARG A 83 10.802 13.707 -3.628 1.00 0.00 N ATOM 1324 CZ ARG A 83 10.282 13.594 -2.405 1.00 0.00 C ATOM 1325 NH1 ARG A 83 8.982 13.786 -2.207 1.00 0.00 N ATOM 1326 NH2 ARG A 83 11.054 13.256 -1.378 1.00 0.00 N ATOM 0 H ARG A 83 12.885 11.085 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 83 11.226 12.430 -8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.440 13.431 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.709 14.466 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.542 13.374 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.239 12.167 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.269 15.138 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.967 14.072 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 83 11.794 13.504 -3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.376 14.021 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.591 13.698 -1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.048 13.082 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.652 13.171 -0.444 1.00 0.00 H new ATOM 1340 N LEU A 84 13.201 13.076 -9.733 1.00 0.00 N ATOM 1341 CA LEU A 84 14.359 13.340 -10.577 1.00 0.00 C ATOM 1342 C LEU A 84 14.797 14.799 -10.457 1.00 0.00 C ATOM 1343 O LEU A 84 14.866 15.529 -11.449 1.00 0.00 O ATOM 1344 CB LEU A 84 14.024 12.993 -12.033 1.00 0.00 C ATOM 1345 CG LEU A 84 15.199 13.043 -13.012 1.00 0.00 C ATOM 1346 CD1 LEU A 84 16.271 12.040 -12.620 1.00 0.00 C ATOM 1347 CD2 LEU A 84 14.715 12.779 -14.429 1.00 0.00 C ATOM 0 H LEU A 84 12.309 13.096 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 84 15.188 12.715 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.595 11.991 -12.059 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.253 13.680 -12.383 1.00 0.00 H new ATOM 0 HG LEU A 84 15.637 14.040 -12.973 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.096 12.093 -13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.637 12.271 -11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.849 11.035 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.561 12.817 -15.115 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.253 11.793 -14.478 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.984 13.537 -14.711 1.00 0.00 H new ATOM 1359 N GLU A 85 15.077 15.219 -9.233 1.00 0.00 N ATOM 1360 CA GLU A 85 15.545 16.568 -8.971 1.00 0.00 C ATOM 1361 C GLU A 85 16.055 16.681 -7.543 1.00 0.00 C ATOM 1362 O GLU A 85 15.519 16.054 -6.631 1.00 0.00 O ATOM 1363 CB GLU A 85 14.421 17.583 -9.207 1.00 0.00 C ATOM 1364 CG GLU A 85 14.862 19.032 -9.059 1.00 0.00 C ATOM 1365 CD GLU A 85 15.986 19.393 -10.008 1.00 0.00 C ATOM 1366 OE1 GLU A 85 17.163 19.192 -9.645 1.00 0.00 O ATOM 1367 OE2 GLU A 85 15.696 19.875 -11.123 1.00 0.00 O ATOM 0 H GLU A 85 14.987 14.638 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 85 16.363 16.787 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.016 17.437 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.612 17.385 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.011 19.688 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.186 19.207 -8.033 1.00 0.00 H new ATOM 1374 N LYS A 86 17.098 17.469 -7.368 1.00 0.00 N ATOM 1375 CA LYS A 86 17.628 17.753 -6.051 1.00 0.00 C ATOM 1376 C LYS A 86 17.998 19.229 -5.949 1.00 0.00 C ATOM 1377 O LYS A 86 19.107 19.635 -6.280 1.00 0.00 O ATOM 1378 CB LYS A 86 18.816 16.829 -5.703 1.00 0.00 C ATOM 1379 CG LYS A 86 19.703 16.423 -6.885 1.00 0.00 C ATOM 1380 CD LYS A 86 20.697 17.507 -7.271 1.00 0.00 C ATOM 1381 CE LYS A 86 21.549 17.100 -8.458 1.00 0.00 C ATOM 1382 NZ LYS A 86 22.543 16.056 -8.109 1.00 0.00 N ATOM 0 H LYS A 86 17.598 17.927 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 86 16.855 17.545 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 86 19.437 17.329 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 86 18.426 15.925 -5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 86 20.245 15.512 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.073 16.190 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.159 18.424 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 86 21.342 17.727 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.904 16.731 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 86 22.068 17.976 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 23.123 15.836 -8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 23.156 16.402 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.048 15.197 -7.795 1.00 0.00 H new ATOM 1396 N LEU A 87 17.033 20.035 -5.527 1.00 0.00 N ATOM 1397 CA LEU A 87 17.228 21.475 -5.425 1.00 0.00 C ATOM 1398 C LEU A 87 18.298 21.804 -4.384 1.00 0.00 C ATOM 1399 O LEU A 87 19.490 21.805 -4.704 1.00 0.00 O ATOM 1400 CB LEU A 87 15.905 22.212 -5.125 1.00 0.00 C ATOM 1401 CG LEU A 87 15.054 21.665 -3.964 1.00 0.00 C ATOM 1402 CD1 LEU A 87 14.108 22.740 -3.456 1.00 0.00 C ATOM 1403 CD2 LEU A 87 14.253 20.445 -4.398 1.00 0.00 C ATOM 0 H LEU A 87 16.105 19.715 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 87 17.578 21.831 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 87 16.138 23.256 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 87 15.296 22.198 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 87 15.731 21.368 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.512 22.342 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.685 23.595 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.448 23.056 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.662 20.080 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.589 20.719 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.934 19.661 -4.729 1.00 0.00 H new ATOM 1415 N GLU A 88 17.880 22.056 -3.145 1.00 0.00 N ATOM 1416 CA GLU A 88 18.806 22.327 -2.046 1.00 0.00 C ATOM 1417 C GLU A 88 19.791 23.444 -2.399 1.00 0.00 C ATOM 1418 O GLU A 88 19.591 24.194 -3.360 1.00 0.00 O ATOM 1419 CB GLU A 88 19.582 21.053 -1.692 1.00 0.00 C ATOM 1420 CG GLU A 88 18.701 19.910 -1.220 1.00 0.00 C ATOM 1421 CD GLU A 88 17.897 20.280 0.005 1.00 0.00 C ATOM 1422 OE1 GLU A 88 18.486 20.346 1.103 1.00 0.00 O ATOM 1423 OE2 GLU A 88 16.678 20.509 -0.125 1.00 0.00 O ATOM 0 H GLU A 88 16.897 22.078 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 88 18.217 22.654 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.146 20.728 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.308 21.286 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.024 19.619 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.322 19.042 -0.997 1.00 0.00 H new ATOM 1430 N HIS A 89 20.832 23.562 -1.580 1.00 0.00 N ATOM 1431 CA HIS A 89 22.006 24.383 -1.894 1.00 0.00 C ATOM 1432 C HIS A 89 21.655 25.857 -2.076 1.00 0.00 C ATOM 1433 O HIS A 89 22.440 26.615 -2.646 1.00 0.00 O ATOM 1434 CB HIS A 89 22.698 23.860 -3.162 1.00 0.00 C ATOM 1435 CG HIS A 89 22.940 22.379 -3.154 1.00 0.00 C ATOM 1436 ND1 HIS A 89 22.492 21.542 -4.152 1.00 0.00 N ATOM 1437 CD2 HIS A 89 23.577 21.586 -2.260 1.00 0.00 C ATOM 1438 CE1 HIS A 89 22.841 20.301 -3.871 1.00 0.00 C ATOM 1439 NE2 HIS A 89 23.499 20.299 -2.729 1.00 0.00 N ATOM 0 H HIS A 89 20.889 23.091 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 89 22.682 24.306 -1.042 1.00 0.00 H new ATOM 0 HB2 HIS A 89 22.088 24.114 -4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 89 23.652 24.374 -3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 89 24.057 21.907 -1.347 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.624 19.433 -4.475 1.00 0.00 H new ATOM 0 HE2 HIS A 89 23.887 19.475 -2.269 1.00 0.00 H new ATOM 1448 N HIS A 90 20.498 26.274 -1.573 1.00 0.00 N ATOM 1449 CA HIS A 90 20.069 27.660 -1.726 1.00 0.00 C ATOM 1450 C HIS A 90 20.713 28.543 -0.661 1.00 0.00 C ATOM 1451 O HIS A 90 20.036 29.147 0.171 1.00 0.00 O ATOM 1452 CB HIS A 90 18.543 27.777 -1.680 1.00 0.00 C ATOM 1453 CG HIS A 90 18.048 29.145 -2.045 1.00 0.00 C ATOM 1454 ND1 HIS A 90 17.375 29.964 -1.167 1.00 0.00 N ATOM 1455 CD2 HIS A 90 18.146 29.841 -3.203 1.00 0.00 C ATOM 1456 CE1 HIS A 90 17.082 31.101 -1.766 1.00 0.00 C ATOM 1457 NE2 HIS A 90 17.539 31.054 -3.002 1.00 0.00 N ATOM 0 H HIS A 90 19.846 25.680 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 90 20.399 28.007 -2.705 1.00 0.00 H new ATOM 0 HB2 HIS A 90 18.108 27.046 -2.361 1.00 0.00 H new ATOM 0 HB3 HIS A 90 18.195 27.526 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 90 18.615 29.503 -4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 90 16.556 31.932 -1.319 1.00 0.00 H new ATOM 0 HE2 HIS A 90 17.455 31.798 -3.695 1.00 0.00 H new ATOM 1466 N HIS A 91 22.032 28.587 -0.706 1.00 0.00 N ATOM 1467 CA HIS A 91 22.852 29.373 0.204 1.00 0.00 C ATOM 1468 C HIS A 91 24.220 29.532 -0.432 1.00 0.00 C ATOM 1469 O HIS A 91 24.421 29.090 -1.566 1.00 0.00 O ATOM 1470 CB HIS A 91 23.004 28.671 1.563 1.00 0.00 C ATOM 1471 CG HIS A 91 21.862 28.884 2.511 1.00 0.00 C ATOM 1472 ND1 HIS A 91 20.904 27.930 2.769 1.00 0.00 N ATOM 1473 CD2 HIS A 91 21.548 29.943 3.290 1.00 0.00 C ATOM 1474 CE1 HIS A 91 20.052 28.393 3.660 1.00 0.00 C ATOM 1475 NE2 HIS A 91 20.419 29.614 3.997 1.00 0.00 N ATOM 0 H HIS A 91 22.578 28.065 -1.392 1.00 0.00 H new ATOM 0 HA HIS A 91 22.378 30.339 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 91 23.122 27.601 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 91 23.921 29.021 2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 91 22.087 30.877 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 91 19.196 27.862 4.049 1.00 0.00 H new ATOM 0 HE2 HIS A 91 19.943 30.214 4.671 1.00 0.00 H new ATOM 1484 N HIS A 92 25.161 30.152 0.266 1.00 0.00 N ATOM 1485 CA HIS A 92 26.536 30.128 -0.200 1.00 0.00 C ATOM 1486 C HIS A 92 27.150 28.775 0.146 1.00 0.00 C ATOM 1487 O HIS A 92 27.695 28.573 1.227 1.00 0.00 O ATOM 1488 CB HIS A 92 27.377 31.313 0.333 1.00 0.00 C ATOM 1489 CG HIS A 92 27.407 31.503 1.827 1.00 0.00 C ATOM 1490 ND1 HIS A 92 26.647 32.451 2.478 1.00 0.00 N ATOM 1491 CD2 HIS A 92 28.153 30.904 2.790 1.00 0.00 C ATOM 1492 CE1 HIS A 92 26.924 32.426 3.769 1.00 0.00 C ATOM 1493 NE2 HIS A 92 27.834 31.498 3.984 1.00 0.00 N ATOM 0 H HIS A 92 25.003 30.664 1.134 1.00 0.00 H new ATOM 0 HA HIS A 92 26.537 30.255 -1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 92 28.402 31.186 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 92 26.998 32.230 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 92 28.866 30.107 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 92 26.479 33.060 4.522 1.00 0.00 H new ATOM 0 HE2 HIS A 92 28.236 31.260 4.891 1.00 0.00 H new ATOM 1502 N HIS A 93 26.995 27.830 -0.776 1.00 0.00 N ATOM 1503 CA HIS A 93 27.427 26.452 -0.553 1.00 0.00 C ATOM 1504 C HIS A 93 28.916 26.385 -0.218 1.00 0.00 C ATOM 1505 O HIS A 93 29.324 25.588 0.617 1.00 0.00 O ATOM 1506 CB HIS A 93 27.095 25.562 -1.769 1.00 0.00 C ATOM 1507 CG HIS A 93 27.793 25.952 -3.043 1.00 0.00 C ATOM 1508 ND1 HIS A 93 27.230 26.782 -3.988 1.00 0.00 N ATOM 1509 CD2 HIS A 93 29.015 25.620 -3.522 1.00 0.00 C ATOM 1510 CE1 HIS A 93 28.075 26.948 -4.986 1.00 0.00 C ATOM 1511 NE2 HIS A 93 29.167 26.252 -4.729 1.00 0.00 N ATOM 0 H HIS A 93 26.571 27.993 -1.689 1.00 0.00 H new ATOM 0 HA HIS A 93 26.875 26.068 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 93 27.355 24.531 -1.529 1.00 0.00 H new ATOM 0 HB3 HIS A 93 26.018 25.588 -1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 93 29.737 24.976 -3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 93 27.903 27.551 -5.865 1.00 0.00 H new ATOM 0 HE2 HIS A 93 29.989 26.194 -5.330 1.00 0.00 H new ATOM 1520 N HIS A 94 29.703 27.236 -0.869 1.00 0.00 N ATOM 1521 CA HIS A 94 31.142 27.323 -0.639 1.00 0.00 C ATOM 1522 C HIS A 94 31.713 28.473 -1.447 1.00 0.00 C ATOM 1523 O HIS A 94 31.556 28.455 -2.682 1.00 0.00 O ATOM 1524 CB HIS A 94 31.867 26.021 -1.005 1.00 0.00 C ATOM 1525 CG HIS A 94 32.272 25.207 0.189 1.00 0.00 C ATOM 1526 ND1 HIS A 94 33.202 25.636 1.111 1.00 0.00 N ATOM 1527 CD2 HIS A 94 31.856 23.993 0.619 1.00 0.00 C ATOM 1528 CE1 HIS A 94 33.341 24.723 2.054 1.00 0.00 C ATOM 1529 NE2 HIS A 94 32.534 23.717 1.780 1.00 0.00 N ATOM 1530 OXT HIS A 94 32.306 29.391 -0.845 1.00 0.00 O ATOM 0 H HIS A 94 29.359 27.888 -1.574 1.00 0.00 H new ATOM 0 HA HIS A 94 31.299 27.495 0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 94 31.218 25.420 -1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 94 32.755 26.261 -1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 94 31.126 23.359 0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 94 34.003 24.789 2.905 1.00 0.00 H new ATOM 0 HE2 HIS A 94 32.430 22.871 2.340 1.00 0.00 H new TER 1539 HIS A 94