USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 692 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 72 CYS SG : rot 153:sc= 1.34 USER MOD Set 1.2: A 75 CYS SG : rot -65:sc= 0.353 USER MOD Set 1.3: A 79 TYR OH : rot 180:sc= -1.09 USER MOD Set 1.4: A 98 CYS SG : rot -131:sc= 0.644 USER MOD Set 1.5: A 101 CYS SG : rot 153:sc= -1.53 USER MOD Set 2.1: A 74 THR OG1 : rot -150:sc= 0 USER MOD Set 2.2: A 97 LYS NZ :NH3+ -171:sc= -0.106 (180deg=-0.189) USER MOD Set 3.1: A 57 CYS SG : rot 154:sc= 1.05 USER MOD Set 3.2: A 60 CYS SG : rot -68:sc= -0.313 USER MOD Set 3.3: A 80 HIS : no HE2:sc= -6.51! C(o=-6.5!,f=-4.9!) USER MOD Set 3.4: A 83 CYS SG : rot 53:sc= -0.772 USER MOD Set 4.1: A 25 CYS SG : rot 146:sc= 1.1 USER MOD Set 4.2: A 28 CYS SG : rot -50:sc= 0.544 USER MOD Set 4.3: A 51 CYS SG : rot -145:sc= -1.15 USER MOD Set 4.4: A 54 CYS SG : rot 121:sc= -1.88 USER MOD Set 5.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 10 CYS SG : rot -170:sc= 0.402 USER MOD Set 6.2: A 13 CYS SG : rot -119:sc= -3.66 USER MOD Set 6.3: A 33 HIS : no HD1:sc= -0.545 K(o=-3.7,f=-4.7) USER MOD Set 6.4: A 36 CYS SG : rot 121:sc= 0.111 USER MOD Single : A 9 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 15 SER OG : rot 180:sc= -0.975 USER MOD Single : A 22 GLN : amide:sc= -4.28 K(o=-4.3,f=-7.8!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.906 K(o=-0.91,f=-0.11) USER MOD Single : A 31 HIS : no HE2:sc= -2! C(o=-2!,f=-6.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -136:sc= -0.147 (180deg=-0.685) USER MOD Single : A 42 THR OG1 : rot 150:sc= -0.764 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 0.699 (180deg=0.26) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= -0.0947 (180deg=-0.237) USER MOD Single : A 58 GLN : amide:sc= 0.00717 X(o=0.0072,f=-0.065) USER MOD Single : A 59 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 63 SER OG : rot 2:sc= 0.941 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -152:sc= -0.0703 (180deg=-1.52) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 88 MET CE :methyl 142:sc= -1.78 (180deg=-4.56!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= -0.0828 (180deg=-0.485) USER MOD Single : A 100 ASN : amide:sc=-0.00787 K(o=-0.0079,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -17.701 3.569 -0.119 1.00 0.00 N ATOM 67 CA ALA A 8 -16.360 3.012 0.011 1.00 0.00 C ATOM 68 C ALA A 8 -16.127 2.460 1.413 1.00 0.00 C ATOM 69 O ALA A 8 -15.810 3.206 2.339 1.00 0.00 O ATOM 70 CB ALA A 8 -15.316 4.067 -0.323 1.00 0.00 C ATOM 0 HA ALA A 8 -16.267 2.187 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.319 3.637 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.461 4.411 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.419 4.910 0.360 1.00 0.00 H new ATOM 76 N ASN A 9 -16.289 1.149 1.563 1.00 0.00 N ATOM 77 CA ASN A 9 -16.098 0.498 2.853 1.00 0.00 C ATOM 78 C ASN A 9 -14.783 -0.275 2.883 1.00 0.00 C ATOM 79 O ASN A 9 -14.158 -0.500 1.846 1.00 0.00 O ATOM 80 CB ASN A 9 -17.265 -0.446 3.149 1.00 0.00 C ATOM 81 CG ASN A 9 -18.425 0.262 3.821 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.468 1.491 3.879 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.374 -0.513 4.334 1.00 0.00 N ATOM 0 H ASN A 9 -16.552 0.517 0.807 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.062 1.271 3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.608 -0.898 2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.919 -1.258 3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.179 -0.093 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.298 -1.528 4.263 1.00 0.00 H new ATOM 90 N CYS A 10 -14.368 -0.680 4.079 1.00 0.00 N ATOM 91 CA CYS A 10 -13.128 -1.429 4.246 1.00 0.00 C ATOM 92 C CYS A 10 -13.075 -2.614 3.286 1.00 0.00 C ATOM 93 O CYS A 10 -13.952 -3.478 3.302 1.00 0.00 O ATOM 94 CB CYS A 10 -12.994 -1.919 5.689 1.00 0.00 C ATOM 95 SG CYS A 10 -11.326 -2.509 6.122 1.00 0.00 S ATOM 0 H CYS A 10 -14.873 -0.502 4.947 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.296 -0.763 4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.267 -1.108 6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.708 -2.726 5.855 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.360 -3.093 7.283 1.00 0.00 H new ATOM 100 N ALA A 11 -12.040 -2.648 2.453 1.00 0.00 N ATOM 101 CA ALA A 11 -11.871 -3.728 1.489 1.00 0.00 C ATOM 102 C ALA A 11 -11.421 -5.013 2.176 1.00 0.00 C ATOM 103 O ALA A 11 -11.149 -6.018 1.520 1.00 0.00 O ATOM 104 CB ALA A 11 -10.872 -3.325 0.414 1.00 0.00 C ATOM 0 H ALA A 11 -11.306 -1.940 2.426 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.837 -3.917 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.756 -4.141 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.235 -2.438 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.909 -3.107 0.876 1.00 0.00 H new ATOM 110 N VAL A 12 -11.344 -4.973 3.503 1.00 0.00 N ATOM 111 CA VAL A 12 -10.927 -6.134 4.280 1.00 0.00 C ATOM 112 C VAL A 12 -12.058 -6.633 5.172 1.00 0.00 C ATOM 113 O VAL A 12 -12.173 -7.830 5.437 1.00 0.00 O ATOM 114 CB VAL A 12 -9.701 -5.813 5.155 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.092 -7.092 5.710 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.672 -5.024 4.360 1.00 0.00 C ATOM 0 H VAL A 12 -11.565 -4.149 4.062 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.660 -6.913 3.566 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.026 -5.199 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.227 -6.846 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.832 -7.614 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.780 -7.734 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.812 -4.806 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.349 -5.610 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.116 -4.090 4.016 1.00 0.00 H new ATOM 126 N CYS A 13 -12.893 -5.708 5.633 1.00 0.00 N ATOM 127 CA CYS A 13 -14.016 -6.052 6.496 1.00 0.00 C ATOM 128 C CYS A 13 -15.308 -5.420 5.986 1.00 0.00 C ATOM 129 O CYS A 13 -16.285 -5.296 6.725 1.00 0.00 O ATOM 130 CB CYS A 13 -13.744 -5.594 7.930 1.00 0.00 C ATOM 131 SG CYS A 13 -14.021 -3.816 8.209 1.00 0.00 S ATOM 0 H CYS A 13 -12.813 -4.713 5.423 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.132 -7.136 6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.382 -6.161 8.608 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.712 -5.835 8.187 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.908 -3.257 8.581 1.00 0.00 H new ATOM 136 N ASP A 14 -15.305 -5.024 4.718 1.00 0.00 N ATOM 137 CA ASP A 14 -16.477 -4.406 4.108 1.00 0.00 C ATOM 138 C ASP A 14 -17.263 -3.598 5.136 1.00 0.00 C ATOM 139 O ASP A 14 -18.490 -3.673 5.192 1.00 0.00 O ATOM 140 CB ASP A 14 -17.376 -5.474 3.484 1.00 0.00 C ATOM 141 CG ASP A 14 -16.747 -6.121 2.266 1.00 0.00 C ATOM 142 OD1 ASP A 14 -16.520 -5.408 1.265 1.00 0.00 O ATOM 143 OD2 ASP A 14 -16.482 -7.340 2.313 1.00 0.00 O ATOM 0 H ASP A 14 -14.505 -5.120 4.093 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.134 -3.728 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.594 -6.241 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.328 -5.024 3.202 1.00 0.00 H new ATOM 148 N SER A 15 -16.547 -2.827 5.948 1.00 0.00 N ATOM 149 CA SER A 15 -17.178 -2.009 6.977 1.00 0.00 C ATOM 150 C SER A 15 -16.634 -0.584 6.947 1.00 0.00 C ATOM 151 O SER A 15 -15.455 -0.347 6.683 1.00 0.00 O ATOM 152 CB SER A 15 -16.948 -2.625 8.359 1.00 0.00 C ATOM 153 OG SER A 15 -18.030 -2.341 9.229 1.00 0.00 O ATOM 0 H SER A 15 -15.530 -2.752 5.913 1.00 0.00 H new ATOM 0 HA SER A 15 -18.249 -1.975 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.827 -3.704 8.264 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.023 -2.236 8.785 1.00 0.00 H new ATOM 0 HG SER A 15 -17.861 -2.746 10.105 1.00 0.00 H new ATOM 159 N PRO A 16 -17.515 0.390 7.223 1.00 0.00 N ATOM 160 CA PRO A 16 -17.147 1.809 7.234 1.00 0.00 C ATOM 161 C PRO A 16 -16.239 2.164 8.406 1.00 0.00 C ATOM 162 O PRO A 16 -15.318 2.968 8.269 1.00 0.00 O ATOM 163 CB PRO A 16 -18.495 2.523 7.366 1.00 0.00 C ATOM 164 CG PRO A 16 -19.386 1.531 8.031 1.00 0.00 C ATOM 165 CD PRO A 16 -18.936 0.181 7.545 1.00 0.00 C ATOM 0 HA PRO A 16 -16.584 2.091 6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.404 3.433 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.886 2.815 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.308 1.601 9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.430 1.710 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.066 -0.585 8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.503 -0.141 6.671 1.00 0.00 H new ATOM 173 N GLY A 17 -16.505 1.558 9.560 1.00 0.00 N ATOM 174 CA GLY A 17 -15.702 1.823 10.739 1.00 0.00 C ATOM 175 C GLY A 17 -15.269 3.273 10.832 1.00 0.00 C ATOM 176 O GLY A 17 -16.103 4.178 10.822 1.00 0.00 O ATOM 0 H GLY A 17 -17.262 0.889 9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.272 1.559 11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.819 1.184 10.725 1.00 0.00 H new ATOM 180 N ASP A 18 -13.962 3.493 10.924 1.00 0.00 N ATOM 181 CA ASP A 18 -13.419 4.843 11.020 1.00 0.00 C ATOM 182 C ASP A 18 -12.989 5.354 9.649 1.00 0.00 C ATOM 183 O ASP A 18 -12.399 4.618 8.857 1.00 0.00 O ATOM 184 CB ASP A 18 -12.233 4.871 11.985 1.00 0.00 C ATOM 185 CG ASP A 18 -12.662 5.066 13.425 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.789 4.654 13.770 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.870 5.630 14.209 1.00 0.00 O ATOM 0 H ASP A 18 -13.259 2.754 10.934 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.203 5.498 11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.676 3.938 11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.555 5.675 11.699 1.00 0.00 H new ATOM 192 N LEU A 19 -13.288 6.619 9.374 1.00 0.00 N ATOM 193 CA LEU A 19 -12.933 7.229 8.098 1.00 0.00 C ATOM 194 C LEU A 19 -11.609 7.978 8.202 1.00 0.00 C ATOM 195 O LEU A 19 -10.944 8.230 7.196 1.00 0.00 O ATOM 196 CB LEU A 19 -14.038 8.185 7.642 1.00 0.00 C ATOM 197 CG LEU A 19 -15.153 7.567 6.797 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.602 7.064 5.472 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.835 6.439 7.557 1.00 0.00 C ATOM 0 H LEU A 19 -13.775 7.242 10.018 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.822 6.433 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.487 8.637 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.580 8.991 7.069 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.895 8.338 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.410 6.628 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.161 7.896 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.840 6.308 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.626 6.011 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.103 5.667 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.265 6.830 8.479 1.00 0.00 H new ATOM 211 N LEU A 20 -11.229 8.331 9.425 1.00 0.00 N ATOM 212 CA LEU A 20 -9.982 9.049 9.662 1.00 0.00 C ATOM 213 C LEU A 20 -8.836 8.078 9.928 1.00 0.00 C ATOM 214 O LEU A 20 -7.694 8.328 9.540 1.00 0.00 O ATOM 215 CB LEU A 20 -10.138 10.007 10.845 1.00 0.00 C ATOM 216 CG LEU A 20 -10.947 11.277 10.577 1.00 0.00 C ATOM 217 CD1 LEU A 20 -11.462 11.866 11.881 1.00 0.00 C ATOM 218 CD2 LEU A 20 -10.105 12.297 9.825 1.00 0.00 C ATOM 0 H LEU A 20 -11.767 8.131 10.268 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.747 9.623 8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.610 9.466 11.665 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.144 10.298 11.185 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.804 11.015 9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.035 12.769 11.671 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.101 11.139 12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.619 12.113 12.526 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.697 13.194 9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.229 12.555 10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.785 11.874 8.873 1.00 0.00 H new ATOM 230 N ASP A 21 -9.148 6.969 10.590 1.00 0.00 N ATOM 231 CA ASP A 21 -8.146 5.958 10.904 1.00 0.00 C ATOM 232 C ASP A 21 -7.667 5.255 9.638 1.00 0.00 C ATOM 233 O ASP A 21 -6.469 5.048 9.448 1.00 0.00 O ATOM 234 CB ASP A 21 -8.714 4.934 11.887 1.00 0.00 C ATOM 235 CG ASP A 21 -8.992 5.534 13.252 1.00 0.00 C ATOM 236 OD1 ASP A 21 -9.196 6.763 13.329 1.00 0.00 O ATOM 237 OD2 ASP A 21 -9.004 4.773 14.243 1.00 0.00 O ATOM 0 H ASP A 21 -10.088 6.748 10.920 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.294 6.458 11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.636 4.518 11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.011 4.108 11.993 1.00 0.00 H new ATOM 242 N GLN A 22 -8.611 4.890 8.777 1.00 0.00 N ATOM 243 CA GLN A 22 -8.285 4.209 7.530 1.00 0.00 C ATOM 244 C GLN A 22 -7.595 5.157 6.555 1.00 0.00 C ATOM 245 O GLN A 22 -7.713 6.377 6.671 1.00 0.00 O ATOM 246 CB GLN A 22 -9.551 3.635 6.891 1.00 0.00 C ATOM 247 CG GLN A 22 -10.622 4.679 6.619 1.00 0.00 C ATOM 248 CD GLN A 22 -10.465 5.336 5.261 1.00 0.00 C ATOM 249 OE1 GLN A 22 -9.619 4.937 4.461 1.00 0.00 O ATOM 250 NE2 GLN A 22 -11.281 6.349 4.995 1.00 0.00 N ATOM 0 H GLN A 22 -9.607 5.054 8.920 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.600 3.393 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.285 3.146 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.962 2.867 7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.604 4.211 6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.584 5.444 7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.968 6.646 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.221 6.830 4.097 1.00 0.00 H new ATOM 259 N PHE A 23 -6.874 4.589 5.595 1.00 0.00 N ATOM 260 CA PHE A 23 -6.163 5.384 4.600 1.00 0.00 C ATOM 261 C PHE A 23 -6.931 5.419 3.282 1.00 0.00 C ATOM 262 O PHE A 23 -7.679 4.496 2.962 1.00 0.00 O ATOM 263 CB PHE A 23 -4.760 4.817 4.371 1.00 0.00 C ATOM 264 CG PHE A 23 -3.989 4.593 5.641 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.185 3.446 6.392 1.00 0.00 C ATOM 266 CD2 PHE A 23 -3.069 5.530 6.083 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.478 3.237 7.561 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.358 5.327 7.251 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.562 4.179 7.991 1.00 0.00 C ATOM 0 H PHE A 23 -6.766 3.581 5.484 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.078 6.403 4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.842 3.872 3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.201 5.500 3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.899 2.706 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.905 6.430 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.641 2.339 8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.644 6.065 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.007 4.017 8.903 1.00 0.00 H new ATOM 279 N PHE A 24 -6.740 6.492 2.522 1.00 0.00 N ATOM 280 CA PHE A 24 -7.415 6.650 1.239 1.00 0.00 C ATOM 281 C PHE A 24 -6.419 6.564 0.086 1.00 0.00 C ATOM 282 O PHE A 24 -5.514 7.391 -0.031 1.00 0.00 O ATOM 283 CB PHE A 24 -8.155 7.988 1.190 1.00 0.00 C ATOM 284 CG PHE A 24 -8.595 8.379 -0.192 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.810 7.943 -0.696 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.794 9.182 -0.987 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.218 8.301 -1.968 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.196 9.544 -2.259 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.409 9.102 -2.750 1.00 0.00 C ATOM 0 H PHE A 24 -6.123 7.265 2.772 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.136 5.840 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.029 7.935 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.507 8.768 1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.446 7.316 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.844 9.529 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.167 7.955 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.562 10.172 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.724 9.382 -3.744 1.00 0.00 H new ATOM 299 N CYS A 25 -6.592 5.557 -0.764 1.00 0.00 N ATOM 300 CA CYS A 25 -5.709 5.361 -1.907 1.00 0.00 C ATOM 301 C CYS A 25 -5.908 6.463 -2.944 1.00 0.00 C ATOM 302 O CYS A 25 -6.996 7.026 -3.067 1.00 0.00 O ATOM 303 CB CYS A 25 -5.963 3.994 -2.545 1.00 0.00 C ATOM 304 SG CYS A 25 -4.831 3.590 -3.914 1.00 0.00 S ATOM 0 H CYS A 25 -7.336 4.864 -0.682 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.680 5.403 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.876 3.225 -1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.988 3.962 -2.914 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.590 2.312 -3.915 1.00 0.00 H new ATOM 309 N THR A 26 -4.849 6.767 -3.687 1.00 0.00 N ATOM 310 CA THR A 26 -4.906 7.802 -4.712 1.00 0.00 C ATOM 311 C THR A 26 -5.147 7.197 -6.091 1.00 0.00 C ATOM 312 O THR A 26 -5.667 7.860 -6.989 1.00 0.00 O ATOM 313 CB THR A 26 -3.608 8.630 -4.748 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.482 7.768 -4.953 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.427 9.408 -3.453 1.00 0.00 C ATOM 0 H THR A 26 -3.941 6.311 -3.598 1.00 0.00 H new ATOM 0 HA THR A 26 -5.739 8.456 -4.454 1.00 0.00 H new ATOM 0 HB THR A 26 -3.678 9.339 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.661 8.302 -4.976 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.504 9.985 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.271 10.084 -3.314 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.377 8.713 -2.615 1.00 0.00 H new ATOM 323 N THR A 27 -4.768 5.933 -6.253 1.00 0.00 N ATOM 324 CA THR A 27 -4.943 5.239 -7.522 1.00 0.00 C ATOM 325 C THR A 27 -6.381 4.767 -7.697 1.00 0.00 C ATOM 326 O THR A 27 -7.122 5.294 -8.528 1.00 0.00 O ATOM 327 CB THR A 27 -3.999 4.027 -7.634 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.636 4.457 -7.543 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.217 3.291 -8.948 1.00 0.00 C ATOM 0 H THR A 27 -4.338 5.369 -5.520 1.00 0.00 H new ATOM 0 HA THR A 27 -4.700 5.953 -8.309 1.00 0.00 H new ATOM 0 HB THR A 27 -4.220 3.345 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.043 3.680 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.539 2.439 -9.005 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.247 2.939 -9.001 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.021 3.967 -9.780 1.00 0.00 H new ATOM 337 N CYS A 28 -6.772 3.771 -6.909 1.00 0.00 N ATOM 338 CA CYS A 28 -8.123 3.227 -6.976 1.00 0.00 C ATOM 339 C CYS A 28 -9.090 4.070 -6.150 1.00 0.00 C ATOM 340 O CYS A 28 -10.188 4.394 -6.600 1.00 0.00 O ATOM 341 CB CYS A 28 -8.138 1.780 -6.480 1.00 0.00 C ATOM 342 SG CYS A 28 -7.789 1.601 -4.700 1.00 0.00 S ATOM 0 H CYS A 28 -6.172 3.324 -6.216 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.446 3.250 -8.017 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.114 1.344 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.402 1.206 -7.043 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.713 2.265 -4.400 1.00 0.00 H new ATOM 347 N GLY A 29 -8.673 4.421 -4.937 1.00 0.00 N ATOM 348 CA GLY A 29 -9.514 5.222 -4.067 1.00 0.00 C ATOM 349 C GLY A 29 -10.345 4.376 -3.123 1.00 0.00 C ATOM 350 O GLY A 29 -11.558 4.556 -3.023 1.00 0.00 O ATOM 0 H GLY A 29 -7.768 4.165 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.889 5.900 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.176 5.839 -4.674 1.00 0.00 H new ATOM 354 N GLN A 30 -9.690 3.450 -2.430 1.00 0.00 N ATOM 355 CA GLN A 30 -10.378 2.571 -1.491 1.00 0.00 C ATOM 356 C GLN A 30 -10.006 2.914 -0.052 1.00 0.00 C ATOM 357 O GLN A 30 -9.038 3.635 0.195 1.00 0.00 O ATOM 358 CB GLN A 30 -10.036 1.109 -1.784 1.00 0.00 C ATOM 359 CG GLN A 30 -10.841 0.514 -2.927 1.00 0.00 C ATOM 360 CD GLN A 30 -12.295 0.287 -2.562 1.00 0.00 C ATOM 361 OE1 GLN A 30 -13.199 0.797 -3.224 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.527 -0.481 -1.505 1.00 0.00 N ATOM 0 H GLN A 30 -8.685 3.289 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.451 2.718 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.975 1.033 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.206 0.517 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.787 1.179 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.394 -0.434 -3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.747 -0.883 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.486 -0.669 -1.212 1.00 0.00 H new ATOM 371 N HIS A 31 -10.781 2.394 0.895 1.00 0.00 N ATOM 372 CA HIS A 31 -10.532 2.645 2.310 1.00 0.00 C ATOM 373 C HIS A 31 -10.101 1.366 3.021 1.00 0.00 C ATOM 374 O HIS A 31 -10.693 0.305 2.825 1.00 0.00 O ATOM 375 CB HIS A 31 -11.785 3.215 2.976 1.00 0.00 C ATOM 376 CG HIS A 31 -12.303 4.455 2.315 1.00 0.00 C ATOM 377 ND1 HIS A 31 -13.642 4.782 2.272 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.653 5.452 1.670 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.794 5.925 1.627 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.602 6.353 1.252 1.00 0.00 N ATOM 0 H HIS A 31 -11.586 1.797 0.708 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.724 3.373 2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.567 2.456 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.563 3.435 4.020 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -14.397 4.228 2.675 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.587 5.525 1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.733 6.424 1.438 1.00 0.00 H new ATOM 389 N TYR A 32 -9.066 1.475 3.846 1.00 0.00 N ATOM 390 CA TYR A 32 -8.553 0.326 4.584 1.00 0.00 C ATOM 391 C TYR A 32 -8.256 0.699 6.033 1.00 0.00 C ATOM 392 O TYR A 32 -7.493 1.627 6.305 1.00 0.00 O ATOM 393 CB TYR A 32 -7.287 -0.213 3.915 1.00 0.00 C ATOM 394 CG TYR A 32 -7.540 -0.850 2.567 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.613 -0.077 1.414 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.704 -2.224 2.446 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.845 -0.655 0.181 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.934 -2.811 1.216 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.004 -2.022 0.087 1.00 0.00 C ATOM 400 OH TYR A 32 -8.233 -2.601 -1.140 1.00 0.00 O ATOM 0 H TYR A 32 -8.566 2.346 4.021 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.318 -0.450 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.574 0.603 3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.822 -0.947 4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.486 0.993 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.651 -2.844 3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.902 -0.040 -0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.058 -3.881 1.139 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.321 -3.571 -1.033 1.00 0.00 H new ATOM 410 N HIS A 33 -8.863 -0.033 6.962 1.00 0.00 N ATOM 411 CA HIS A 33 -8.664 0.218 8.385 1.00 0.00 C ATOM 412 C HIS A 33 -7.217 -0.053 8.787 1.00 0.00 C ATOM 413 O HIS A 33 -6.602 -1.011 8.320 1.00 0.00 O ATOM 414 CB HIS A 33 -9.608 -0.653 9.215 1.00 0.00 C ATOM 415 CG HIS A 33 -11.037 -0.208 9.160 1.00 0.00 C ATOM 416 ND1 HIS A 33 -12.101 -1.082 9.234 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.575 1.029 9.040 1.00 0.00 C ATOM 418 CE1 HIS A 33 -13.232 -0.403 9.159 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.940 0.880 9.042 1.00 0.00 N ATOM 0 H HIS A 33 -9.497 -0.805 6.755 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.886 1.267 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.543 -1.683 8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.275 -0.649 10.253 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.032 1.959 8.958 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -14.226 -0.825 9.188 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.619 1.638 8.966 1.00 0.00 H new ATOM 427 N GLY A 34 -6.680 0.798 9.656 1.00 0.00 N ATOM 428 CA GLY A 34 -5.310 0.633 10.105 1.00 0.00 C ATOM 429 C GLY A 34 -5.100 -0.663 10.862 1.00 0.00 C ATOM 430 O GLY A 34 -3.969 -1.127 11.009 1.00 0.00 O ATOM 0 H GLY A 34 -7.169 1.598 10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.643 0.659 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.037 1.472 10.745 1.00 0.00 H new ATOM 434 N MET A 35 -6.191 -1.248 11.345 1.00 0.00 N ATOM 435 CA MET A 35 -6.120 -2.498 12.092 1.00 0.00 C ATOM 436 C MET A 35 -6.319 -3.695 11.168 1.00 0.00 C ATOM 437 O MET A 35 -5.514 -4.628 11.161 1.00 0.00 O ATOM 438 CB MET A 35 -7.174 -2.515 13.201 1.00 0.00 C ATOM 439 CG MET A 35 -6.847 -1.592 14.364 1.00 0.00 C ATOM 440 SD MET A 35 -5.406 -2.139 15.300 1.00 0.00 S ATOM 441 CE MET A 35 -5.999 -3.696 15.956 1.00 0.00 C ATOM 0 H MET A 35 -7.134 -0.877 11.232 1.00 0.00 H new ATOM 0 HA MET A 35 -5.129 -2.568 12.541 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.137 -2.228 12.780 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.280 -3.533 13.575 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.669 -0.586 13.985 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.708 -1.534 15.030 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.718 -3.779 17.006 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.084 -3.739 15.866 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.556 -4.519 15.396 1.00 0.00 H new ATOM 451 N CYS A 36 -7.395 -3.664 10.389 1.00 0.00 N ATOM 452 CA CYS A 36 -7.700 -4.746 9.461 1.00 0.00 C ATOM 453 C CYS A 36 -6.480 -5.098 8.615 1.00 0.00 C ATOM 454 O CYS A 36 -6.325 -6.237 8.172 1.00 0.00 O ATOM 455 CB CYS A 36 -8.868 -4.354 8.553 1.00 0.00 C ATOM 456 SG CYS A 36 -10.496 -4.417 9.367 1.00 0.00 S ATOM 0 H CYS A 36 -8.071 -2.900 10.382 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.981 -5.623 10.045 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.700 -3.344 8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.880 -5.017 7.688 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.051 -3.243 9.318 1.00 0.00 H new ATOM 461 N LEU A 37 -5.615 -4.114 8.396 1.00 0.00 N ATOM 462 CA LEU A 37 -4.407 -4.318 7.604 1.00 0.00 C ATOM 463 C LEU A 37 -3.197 -4.544 8.505 1.00 0.00 C ATOM 464 O LEU A 37 -2.199 -5.129 8.085 1.00 0.00 O ATOM 465 CB LEU A 37 -4.162 -3.115 6.693 1.00 0.00 C ATOM 466 CG LEU A 37 -4.811 -3.176 5.310 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.482 -1.926 4.509 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.359 -4.423 4.563 1.00 0.00 C ATOM 0 H LEU A 37 -5.728 -3.166 8.756 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.550 -5.207 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.522 -2.221 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.086 -2.997 6.562 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.892 -3.225 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.953 -1.988 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.855 -1.048 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.402 -1.845 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.831 -4.450 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.276 -4.404 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.646 -5.310 5.128 1.00 0.00 H new ATOM 480 N ASP A 38 -3.294 -4.079 9.745 1.00 0.00 N ATOM 481 CA ASP A 38 -2.209 -4.233 10.707 1.00 0.00 C ATOM 482 C ASP A 38 -1.048 -3.302 10.370 1.00 0.00 C ATOM 483 O ASP A 38 0.117 -3.685 10.472 1.00 0.00 O ATOM 484 CB ASP A 38 -1.725 -5.683 10.734 1.00 0.00 C ATOM 485 CG ASP A 38 -2.863 -6.676 10.608 1.00 0.00 C ATOM 486 OD1 ASP A 38 -3.712 -6.726 11.524 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.907 -7.403 9.594 1.00 0.00 O ATOM 0 H ASP A 38 -4.113 -3.592 10.108 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.590 -3.967 11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.017 -5.842 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.188 -5.866 11.665 1.00 0.00 H new ATOM 492 N ILE A 39 -1.375 -2.079 9.967 1.00 0.00 N ATOM 493 CA ILE A 39 -0.360 -1.094 9.615 1.00 0.00 C ATOM 494 C ILE A 39 -0.208 -0.045 10.711 1.00 0.00 C ATOM 495 O ILE A 39 -1.187 0.360 11.337 1.00 0.00 O ATOM 496 CB ILE A 39 -0.696 -0.388 8.288 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.915 -1.419 7.178 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.413 0.581 7.907 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.597 -0.851 5.953 1.00 0.00 C ATOM 0 H ILE A 39 -2.335 -1.746 9.876 1.00 0.00 H new ATOM 0 HA ILE A 39 0.579 -1.636 9.501 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.618 0.179 8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.048 -1.838 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.514 -2.241 7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.160 1.072 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.525 1.331 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.349 0.035 7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.720 -1.637 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.575 -0.458 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.988 -0.048 5.537 1.00 0.00 H new ATOM 511 N ALA A 40 1.027 0.391 10.937 1.00 0.00 N ATOM 512 CA ALA A 40 1.307 1.396 11.955 1.00 0.00 C ATOM 513 C ALA A 40 0.978 2.797 11.450 1.00 0.00 C ATOM 514 O ALA A 40 1.699 3.356 10.624 1.00 0.00 O ATOM 515 CB ALA A 40 2.764 1.318 12.387 1.00 0.00 C ATOM 0 H ALA A 40 1.849 0.064 10.429 1.00 0.00 H new ATOM 0 HA ALA A 40 0.672 1.190 12.817 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.959 2.074 13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.969 0.329 12.797 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.409 1.495 11.526 1.00 0.00 H new ATOM 521 N VAL A 41 -0.118 3.359 11.951 1.00 0.00 N ATOM 522 CA VAL A 41 -0.543 4.695 11.550 1.00 0.00 C ATOM 523 C VAL A 41 0.538 5.728 11.848 1.00 0.00 C ATOM 524 O VAL A 41 0.709 6.153 12.991 1.00 0.00 O ATOM 525 CB VAL A 41 -1.843 5.108 12.265 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.268 6.504 11.837 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.947 4.098 11.988 1.00 0.00 C ATOM 0 H VAL A 41 -0.727 2.910 12.635 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.723 4.661 10.475 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.657 5.124 13.339 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.188 6.778 12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.484 7.217 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.437 6.519 10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.858 4.405 12.501 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.134 4.048 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.641 3.116 12.349 1.00 0.00 H new ATOM 537 N THR A 42 1.267 6.130 10.811 1.00 0.00 N ATOM 538 CA THR A 42 2.332 7.113 10.961 1.00 0.00 C ATOM 539 C THR A 42 2.025 8.380 10.172 1.00 0.00 C ATOM 540 O THR A 42 1.304 8.360 9.174 1.00 0.00 O ATOM 541 CB THR A 42 3.687 6.548 10.495 1.00 0.00 C ATOM 542 OG1 THR A 42 3.575 6.042 9.160 1.00 0.00 O ATOM 543 CG2 THR A 42 4.160 5.440 11.425 1.00 0.00 C ATOM 0 H THR A 42 1.139 5.789 9.858 1.00 0.00 H new ATOM 0 HA THR A 42 2.393 7.354 12.022 1.00 0.00 H new ATOM 0 HB THR A 42 4.419 7.356 10.516 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.437 6.134 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.119 5.056 11.076 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.273 5.836 12.434 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.427 4.633 11.432 1.00 0.00 H new ATOM 551 N PRO A 43 2.585 9.511 10.627 1.00 0.00 N ATOM 552 CA PRO A 43 2.385 10.810 9.977 1.00 0.00 C ATOM 553 C PRO A 43 3.082 10.894 8.623 1.00 0.00 C ATOM 554 O PRO A 43 3.064 11.936 7.967 1.00 0.00 O ATOM 555 CB PRO A 43 3.011 11.800 10.962 1.00 0.00 C ATOM 556 CG PRO A 43 4.019 11.000 11.714 1.00 0.00 C ATOM 557 CD PRO A 43 3.455 9.609 11.810 1.00 0.00 C ATOM 0 HA PRO A 43 1.333 11.003 9.768 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.478 12.636 10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.260 12.221 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.979 10.997 11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.191 11.421 12.705 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.242 8.855 11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.895 9.466 12.734 1.00 0.00 H new ATOM 565 N LEU A 44 3.696 9.791 8.210 1.00 0.00 N ATOM 566 CA LEU A 44 4.400 9.739 6.933 1.00 0.00 C ATOM 567 C LEU A 44 3.519 9.122 5.851 1.00 0.00 C ATOM 568 O LEU A 44 3.543 9.550 4.696 1.00 0.00 O ATOM 569 CB LEU A 44 5.694 8.935 7.073 1.00 0.00 C ATOM 570 CG LEU A 44 6.761 9.190 6.008 1.00 0.00 C ATOM 571 CD1 LEU A 44 6.175 9.023 4.614 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.358 10.580 6.173 1.00 0.00 C ATOM 0 H LEU A 44 3.721 8.920 8.741 1.00 0.00 H new ATOM 0 HA LEU A 44 4.644 10.760 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.127 9.148 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.442 7.874 7.060 1.00 0.00 H new ATOM 0 HG LEU A 44 7.557 8.456 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.949 9.208 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.796 8.008 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.360 9.733 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.115 10.744 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.572 11.328 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.815 10.665 7.159 1.00 0.00 H new ATOM 584 N LYS A 45 2.740 8.115 6.232 1.00 0.00 N ATOM 585 CA LYS A 45 1.848 7.441 5.296 1.00 0.00 C ATOM 586 C LYS A 45 0.607 8.284 5.024 1.00 0.00 C ATOM 587 O LYS A 45 0.253 8.531 3.870 1.00 0.00 O ATOM 588 CB LYS A 45 1.438 6.073 5.846 1.00 0.00 C ATOM 589 CG LYS A 45 2.580 5.073 5.904 1.00 0.00 C ATOM 590 CD LYS A 45 2.328 3.999 6.949 1.00 0.00 C ATOM 591 CE LYS A 45 3.630 3.389 7.446 1.00 0.00 C ATOM 592 NZ LYS A 45 3.434 2.005 7.960 1.00 0.00 N ATOM 0 H LYS A 45 2.708 7.748 7.183 1.00 0.00 H new ATOM 0 HA LYS A 45 2.384 7.303 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.028 6.202 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.640 5.665 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.708 4.608 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.510 5.594 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.782 4.428 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.697 3.218 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.358 3.375 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.046 4.014 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.355 1.528 8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.988 2.043 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.822 1.476 7.307 1.00 0.00 H new ATOM 606 N ARG A 46 -0.050 8.724 6.092 1.00 0.00 N ATOM 607 CA ARG A 46 -1.252 9.540 5.967 1.00 0.00 C ATOM 608 C ARG A 46 -1.139 10.497 4.784 1.00 0.00 C ATOM 609 O ARG A 46 -2.111 10.729 4.066 1.00 0.00 O ATOM 610 CB ARG A 46 -1.493 10.331 7.255 1.00 0.00 C ATOM 611 CG ARG A 46 -2.042 9.487 8.394 1.00 0.00 C ATOM 612 CD ARG A 46 -2.272 10.321 9.644 1.00 0.00 C ATOM 613 NE ARG A 46 -3.340 11.300 9.460 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.151 12.504 8.932 1.00 0.00 C ATOM 615 NH1 ARG A 46 -1.941 12.875 8.538 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.173 13.339 8.798 1.00 0.00 N ATOM 0 H ARG A 46 0.230 8.529 7.053 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.097 8.874 5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.555 10.788 7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.189 11.143 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.980 9.024 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.346 8.679 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.522 9.664 10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.349 10.837 9.910 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.283 11.045 9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.153 12.235 8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.798 13.800 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.105 13.057 9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.027 14.263 8.392 1.00 0.00 H new ATOM 630 N ALA A 47 0.054 11.050 4.588 1.00 0.00 N ATOM 631 CA ALA A 47 0.294 11.980 3.492 1.00 0.00 C ATOM 632 C ALA A 47 0.902 11.266 2.289 1.00 0.00 C ATOM 633 O ALA A 47 2.122 11.189 2.153 1.00 0.00 O ATOM 634 CB ALA A 47 1.201 13.112 3.950 1.00 0.00 C ATOM 0 H ALA A 47 0.869 10.870 5.174 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.665 12.398 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.372 13.799 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.728 13.647 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.154 12.702 4.284 1.00 0.00 H new ATOM 640 N GLY A 48 0.043 10.743 1.420 1.00 0.00 N ATOM 641 CA GLY A 48 0.515 10.041 0.241 1.00 0.00 C ATOM 642 C GLY A 48 0.571 8.540 0.443 1.00 0.00 C ATOM 643 O GLY A 48 1.570 7.900 0.115 1.00 0.00 O ATOM 0 H GLY A 48 -0.972 10.793 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.141 10.267 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.508 10.406 -0.022 1.00 0.00 H new ATOM 647 N TRP A 49 -0.503 7.978 0.986 1.00 0.00 N ATOM 648 CA TRP A 49 -0.571 6.542 1.234 1.00 0.00 C ATOM 649 C TRP A 49 -1.043 5.797 -0.010 1.00 0.00 C ATOM 650 O TRP A 49 -1.789 6.341 -0.823 1.00 0.00 O ATOM 651 CB TRP A 49 -1.509 6.249 2.406 1.00 0.00 C ATOM 652 CG TRP A 49 -1.630 4.789 2.719 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.723 4.015 3.384 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.722 3.927 2.379 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.184 2.724 3.477 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.409 2.644 2.869 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.934 4.115 1.709 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.264 1.558 2.708 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.782 3.035 1.550 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.444 1.770 2.049 1.00 0.00 C ATOM 0 H TRP A 49 -1.338 8.494 1.263 1.00 0.00 H new ATOM 0 HA TRP A 49 0.431 6.194 1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.149 6.774 3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.498 6.648 2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.219 4.366 3.779 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.694 1.950 3.926 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.203 5.087 1.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.005 0.582 3.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.721 3.168 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.128 0.946 1.911 1.00 0.00 H new ATOM 671 N GLN A 50 -0.603 4.550 -0.150 1.00 0.00 N ATOM 672 CA GLN A 50 -0.982 3.732 -1.296 1.00 0.00 C ATOM 673 C GLN A 50 -1.416 2.339 -0.850 1.00 0.00 C ATOM 674 O GLN A 50 -0.704 1.664 -0.107 1.00 0.00 O ATOM 675 CB GLN A 50 0.184 3.625 -2.281 1.00 0.00 C ATOM 676 CG GLN A 50 0.183 4.711 -3.344 1.00 0.00 C ATOM 677 CD GLN A 50 0.867 4.275 -4.625 1.00 0.00 C ATOM 678 OE1 GLN A 50 2.093 4.315 -4.732 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.077 3.854 -5.605 1.00 0.00 N ATOM 0 H GLN A 50 0.015 4.085 0.515 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.824 4.214 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.122 3.671 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.149 2.651 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.845 4.997 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.683 5.597 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.934 3.837 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.481 3.547 -6.490 1.00 0.00 H new ATOM 688 N CYS A 51 -2.589 1.915 -1.309 1.00 0.00 N ATOM 689 CA CYS A 51 -3.119 0.604 -0.958 1.00 0.00 C ATOM 690 C CYS A 51 -2.270 -0.508 -1.568 1.00 0.00 C ATOM 691 O CYS A 51 -1.569 -0.313 -2.561 1.00 0.00 O ATOM 692 CB CYS A 51 -4.568 0.472 -1.433 1.00 0.00 C ATOM 693 SG CYS A 51 -4.739 -0.161 -3.132 1.00 0.00 S ATOM 0 H CYS A 51 -3.191 2.461 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.089 0.507 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.103 -0.192 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.050 1.448 -1.370 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.760 0.405 -3.705 1.00 0.00 H new ATOM 698 N PRO A 52 -2.333 -1.702 -0.961 1.00 0.00 N ATOM 699 CA PRO A 52 -1.577 -2.868 -1.427 1.00 0.00 C ATOM 700 C PRO A 52 -2.102 -3.406 -2.754 1.00 0.00 C ATOM 701 O PRO A 52 -1.450 -4.223 -3.403 1.00 0.00 O ATOM 702 CB PRO A 52 -1.789 -3.896 -0.312 1.00 0.00 C ATOM 703 CG PRO A 52 -3.077 -3.504 0.325 1.00 0.00 C ATOM 704 CD PRO A 52 -3.148 -2.005 0.228 1.00 0.00 C ATOM 0 HA PRO A 52 -0.530 -2.628 -1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.837 -4.909 -0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.970 -3.875 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.921 -3.968 -0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.113 -3.830 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.175 -1.658 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.749 -1.525 1.122 1.00 0.00 H new ATOM 712 N GLU A 53 -3.283 -2.942 -3.150 1.00 0.00 N ATOM 713 CA GLU A 53 -3.893 -3.378 -4.401 1.00 0.00 C ATOM 714 C GLU A 53 -3.465 -2.479 -5.558 1.00 0.00 C ATOM 715 O GLU A 53 -3.763 -2.759 -6.719 1.00 0.00 O ATOM 716 CB GLU A 53 -5.418 -3.376 -4.277 1.00 0.00 C ATOM 717 CG GLU A 53 -5.947 -4.370 -3.256 1.00 0.00 C ATOM 718 CD GLU A 53 -7.441 -4.597 -3.383 1.00 0.00 C ATOM 719 OE1 GLU A 53 -8.139 -3.693 -3.887 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.912 -5.681 -2.978 1.00 0.00 O ATOM 0 H GLU A 53 -3.836 -2.265 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.553 -4.393 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.751 -2.375 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.854 -3.601 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.427 -5.320 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.722 -4.009 -2.252 1.00 0.00 H new ATOM 727 N CYS A 54 -2.765 -1.398 -5.231 1.00 0.00 N ATOM 728 CA CYS A 54 -2.295 -0.457 -6.241 1.00 0.00 C ATOM 729 C CYS A 54 -0.789 -0.243 -6.127 1.00 0.00 C ATOM 730 O CYS A 54 -0.052 -0.400 -7.100 1.00 0.00 O ATOM 731 CB CYS A 54 -3.024 0.881 -6.099 1.00 0.00 C ATOM 732 SG CYS A 54 -4.773 0.832 -6.608 1.00 0.00 S ATOM 0 H CYS A 54 -2.511 -1.152 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.510 -0.879 -7.223 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.968 1.205 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.504 1.631 -6.695 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.526 1.182 -5.608 1.00 0.00 H new ATOM 737 N LYS A 55 -0.337 0.117 -4.930 1.00 0.00 N ATOM 738 CA LYS A 55 1.081 0.352 -4.686 1.00 0.00 C ATOM 739 C LYS A 55 1.941 -0.515 -5.599 1.00 0.00 C ATOM 740 O LYS A 55 1.594 -1.659 -5.893 1.00 0.00 O ATOM 741 CB LYS A 55 1.422 0.064 -3.222 1.00 0.00 C ATOM 742 CG LYS A 55 1.614 -1.412 -2.921 1.00 0.00 C ATOM 743 CD LYS A 55 2.241 -1.626 -1.554 1.00 0.00 C ATOM 744 CE LYS A 55 2.876 -3.003 -1.441 1.00 0.00 C ATOM 745 NZ LYS A 55 1.984 -4.070 -1.975 1.00 0.00 N ATOM 0 H LYS A 55 -0.933 0.252 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 55 1.293 1.399 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.333 0.602 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.626 0.455 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.651 -1.921 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.247 -1.861 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.996 -0.860 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.481 -1.510 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.821 -3.013 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.107 -3.212 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.407 -5.002 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.056 -4.012 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.866 -3.943 -3.000 1.00 0.00 H new ATOM 759 N VAL A 56 3.066 0.036 -6.044 1.00 0.00 N ATOM 760 CA VAL A 56 3.977 -0.688 -6.922 1.00 0.00 C ATOM 761 C VAL A 56 5.426 -0.294 -6.656 1.00 0.00 C ATOM 762 O VAL A 56 5.702 0.587 -5.841 1.00 0.00 O ATOM 763 CB VAL A 56 3.651 -0.431 -8.405 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.193 -0.753 -8.695 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.972 1.008 -8.779 1.00 0.00 C ATOM 0 H VAL A 56 3.368 0.982 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 56 3.846 -1.749 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 56 4.271 -1.088 -9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.981 -0.565 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.000 -1.801 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.552 -0.123 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.736 1.172 -9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.379 1.685 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.032 1.200 -8.611 1.00 0.00 H new ATOM 775 N CYS A 57 6.349 -0.953 -7.348 1.00 0.00 N ATOM 776 CA CYS A 57 7.771 -0.672 -7.188 1.00 0.00 C ATOM 777 C CYS A 57 8.098 0.751 -7.631 1.00 0.00 C ATOM 778 O CYS A 57 7.397 1.329 -8.461 1.00 0.00 O ATOM 779 CB CYS A 57 8.603 -1.673 -7.992 1.00 0.00 C ATOM 780 SG CYS A 57 10.395 -1.572 -7.678 1.00 0.00 S ATOM 0 H CYS A 57 6.138 -1.686 -8.025 1.00 0.00 H new ATOM 0 HA CYS A 57 8.019 -0.770 -6.131 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.261 -2.682 -7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.421 -1.510 -9.054 1.00 0.00 H new ATOM 0 HG CYS A 57 10.945 -2.722 -7.931 1.00 0.00 H new ATOM 785 N GLN A 58 9.167 1.308 -7.072 1.00 0.00 N ATOM 786 CA GLN A 58 9.587 2.663 -7.409 1.00 0.00 C ATOM 787 C GLN A 58 10.841 2.644 -8.276 1.00 0.00 C ATOM 788 O GLN A 58 11.149 3.620 -8.959 1.00 0.00 O ATOM 789 CB GLN A 58 9.844 3.471 -6.136 1.00 0.00 C ATOM 790 CG GLN A 58 8.624 3.600 -5.239 1.00 0.00 C ATOM 791 CD GLN A 58 7.488 4.352 -5.904 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.652 5.494 -6.334 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.326 3.715 -5.992 1.00 0.00 N ATOM 0 H GLN A 58 9.758 0.842 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 58 8.784 3.136 -7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.650 3.000 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.188 4.468 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.279 2.606 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.906 4.114 -4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.234 2.769 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.526 4.172 -6.429 1.00 0.00 H new ATOM 802 N ASN A 59 11.561 1.527 -8.244 1.00 0.00 N ATOM 803 CA ASN A 59 12.783 1.382 -9.027 1.00 0.00 C ATOM 804 C ASN A 59 12.466 0.944 -10.453 1.00 0.00 C ATOM 805 O ASN A 59 12.971 1.520 -11.418 1.00 0.00 O ATOM 806 CB ASN A 59 13.719 0.368 -8.366 1.00 0.00 C ATOM 807 CG ASN A 59 14.545 0.984 -7.253 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.703 1.351 -7.455 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.952 1.100 -6.071 1.00 0.00 N ATOM 0 H ASN A 59 11.319 0.709 -7.684 1.00 0.00 H new ATOM 0 HA ASN A 59 13.278 2.352 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.131 -0.457 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.385 -0.052 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.458 1.507 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.990 0.782 -5.949 1.00 0.00 H new ATOM 816 N CYS A 60 11.625 -0.077 -10.580 1.00 0.00 N ATOM 817 CA CYS A 60 11.240 -0.593 -11.888 1.00 0.00 C ATOM 818 C CYS A 60 9.824 -0.154 -12.250 1.00 0.00 C ATOM 819 O CYS A 60 9.501 0.033 -13.423 1.00 0.00 O ATOM 820 CB CYS A 60 11.332 -2.120 -11.904 1.00 0.00 C ATOM 821 SG CYS A 60 9.974 -2.957 -11.024 1.00 0.00 S ATOM 0 H CYS A 60 11.197 -0.564 -9.792 1.00 0.00 H new ATOM 0 HA CYS A 60 11.928 -0.186 -12.629 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.345 -2.462 -12.939 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.280 -2.421 -11.457 1.00 0.00 H new ATOM 0 HG CYS A 60 10.079 -2.731 -9.748 1.00 0.00 H new ATOM 826 N LYS A 61 8.983 0.008 -11.234 1.00 0.00 N ATOM 827 CA LYS A 61 7.602 0.427 -11.443 1.00 0.00 C ATOM 828 C LYS A 61 6.821 -0.636 -12.209 1.00 0.00 C ATOM 829 O LYS A 61 6.118 -0.329 -13.171 1.00 0.00 O ATOM 830 CB LYS A 61 7.559 1.754 -12.204 1.00 0.00 C ATOM 831 CG LYS A 61 8.275 2.888 -11.491 1.00 0.00 C ATOM 832 CD LYS A 61 7.349 3.615 -10.530 1.00 0.00 C ATOM 833 CE LYS A 61 6.571 4.717 -11.233 1.00 0.00 C ATOM 834 NZ LYS A 61 5.827 5.572 -10.267 1.00 0.00 N ATOM 0 H LYS A 61 9.234 -0.145 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 61 7.138 0.561 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.008 1.614 -13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.519 2.037 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.131 2.492 -10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.664 3.593 -12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.653 2.904 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.932 4.043 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.258 5.335 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.870 4.273 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.310 6.311 -10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.153 4.987 -9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.498 6.016 -9.608 1.00 0.00 H new ATOM 848 N GLN A 62 6.950 -1.886 -11.775 1.00 0.00 N ATOM 849 CA GLN A 62 6.256 -2.994 -12.421 1.00 0.00 C ATOM 850 C GLN A 62 5.568 -3.881 -11.388 1.00 0.00 C ATOM 851 O GLN A 62 6.227 -4.602 -10.639 1.00 0.00 O ATOM 852 CB GLN A 62 7.236 -3.823 -13.252 1.00 0.00 C ATOM 853 CG GLN A 62 7.731 -3.110 -14.500 1.00 0.00 C ATOM 854 CD GLN A 62 8.755 -3.921 -15.268 1.00 0.00 C ATOM 855 OE1 GLN A 62 9.834 -4.225 -14.757 1.00 0.00 O ATOM 856 NE2 GLN A 62 8.424 -4.277 -16.504 1.00 0.00 N ATOM 0 H GLN A 62 7.528 -2.156 -10.979 1.00 0.00 H new ATOM 0 HA GLN A 62 5.494 -2.578 -13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.092 -4.088 -12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.753 -4.756 -13.544 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.883 -2.893 -15.150 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.169 -2.153 -14.217 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.520 -4.004 -16.888 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.074 -4.823 -17.069 1.00 0.00 H new ATOM 865 N SER A 63 4.241 -3.822 -11.355 1.00 0.00 N ATOM 866 CA SER A 63 3.464 -4.618 -10.411 1.00 0.00 C ATOM 867 C SER A 63 3.384 -6.073 -10.863 1.00 0.00 C ATOM 868 O SER A 63 2.859 -6.373 -11.935 1.00 0.00 O ATOM 869 CB SER A 63 2.056 -4.040 -10.262 1.00 0.00 C ATOM 870 OG SER A 63 1.246 -4.377 -11.375 1.00 0.00 O ATOM 0 H SER A 63 3.681 -3.232 -11.970 1.00 0.00 H new ATOM 0 HA SER A 63 3.967 -4.584 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.599 -4.419 -9.348 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.113 -2.956 -10.165 1.00 0.00 H new ATOM 0 HG SER A 63 1.759 -4.936 -11.995 1.00 0.00 H new ATOM 876 N GLY A 64 3.910 -6.973 -10.038 1.00 0.00 N ATOM 877 CA GLY A 64 3.888 -8.385 -10.369 1.00 0.00 C ATOM 878 C GLY A 64 4.406 -9.254 -9.240 1.00 0.00 C ATOM 879 O GLY A 64 3.673 -10.081 -8.699 1.00 0.00 O ATOM 0 H GLY A 64 4.351 -6.749 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.868 -8.682 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.491 -8.555 -11.261 1.00 0.00 H new ATOM 883 N GLU A 65 5.674 -9.067 -8.886 1.00 0.00 N ATOM 884 CA GLU A 65 6.289 -9.843 -7.815 1.00 0.00 C ATOM 885 C GLU A 65 5.925 -9.269 -6.449 1.00 0.00 C ATOM 886 O GLU A 65 6.535 -8.304 -5.986 1.00 0.00 O ATOM 887 CB GLU A 65 7.810 -9.867 -7.982 1.00 0.00 C ATOM 888 CG GLU A 65 8.267 -10.424 -9.319 1.00 0.00 C ATOM 889 CD GLU A 65 8.393 -9.353 -10.385 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.780 -8.277 -10.221 1.00 0.00 O ATOM 891 OE2 GLU A 65 9.105 -9.590 -11.383 1.00 0.00 O ATOM 0 H GLU A 65 6.294 -8.386 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 65 5.908 -10.862 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.195 -8.854 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.246 -10.464 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.229 -10.920 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.559 -11.183 -9.653 1.00 0.00 H new ATOM 898 N ASP A 66 4.927 -9.868 -5.809 1.00 0.00 N ATOM 899 CA ASP A 66 4.482 -9.418 -4.495 1.00 0.00 C ATOM 900 C ASP A 66 5.389 -9.964 -3.397 1.00 0.00 C ATOM 901 O ASP A 66 5.896 -9.211 -2.566 1.00 0.00 O ATOM 902 CB ASP A 66 3.037 -9.855 -4.246 1.00 0.00 C ATOM 903 CG ASP A 66 2.779 -11.281 -4.692 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.525 -11.489 -5.897 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.832 -12.189 -3.837 1.00 0.00 O ATOM 0 H ASP A 66 4.411 -10.666 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 66 4.533 -8.329 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.810 -9.763 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.361 -9.184 -4.776 1.00 0.00 H new ATOM 910 N SER A 67 5.587 -11.278 -3.399 1.00 0.00 N ATOM 911 CA SER A 67 6.429 -11.925 -2.400 1.00 0.00 C ATOM 912 C SER A 67 7.809 -11.277 -2.350 1.00 0.00 C ATOM 913 O SER A 67 8.332 -10.985 -1.274 1.00 0.00 O ATOM 914 CB SER A 67 6.565 -13.418 -2.706 1.00 0.00 C ATOM 915 OG SER A 67 6.992 -13.628 -4.041 1.00 0.00 O ATOM 0 H SER A 67 5.176 -11.915 -4.081 1.00 0.00 H new ATOM 0 HA SER A 67 5.954 -11.803 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.279 -13.870 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.608 -13.914 -2.545 1.00 0.00 H new ATOM 0 HG SER A 67 7.073 -14.590 -4.211 1.00 0.00 H new ATOM 921 N LYS A 68 8.394 -11.056 -3.522 1.00 0.00 N ATOM 922 CA LYS A 68 9.713 -10.441 -3.615 1.00 0.00 C ATOM 923 C LYS A 68 9.603 -8.920 -3.654 1.00 0.00 C ATOM 924 O LYS A 68 10.244 -8.264 -4.475 1.00 0.00 O ATOM 925 CB LYS A 68 10.445 -10.943 -4.862 1.00 0.00 C ATOM 926 CG LYS A 68 10.547 -12.456 -4.940 1.00 0.00 C ATOM 927 CD LYS A 68 11.000 -12.914 -6.316 1.00 0.00 C ATOM 928 CE LYS A 68 10.627 -14.367 -6.570 1.00 0.00 C ATOM 929 NZ LYS A 68 9.214 -14.507 -7.020 1.00 0.00 N ATOM 0 H LYS A 68 7.975 -11.294 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 68 10.282 -10.723 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.928 -10.576 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.449 -10.518 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.249 -12.814 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.578 -12.899 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.546 -12.282 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.080 -12.794 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.292 -14.786 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.777 -14.945 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.999 -15.512 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.578 -14.131 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.077 -13.977 -7.904 1.00 0.00 H new ATOM 943 N MET A 69 8.789 -8.367 -2.762 1.00 0.00 N ATOM 944 CA MET A 69 8.598 -6.923 -2.694 1.00 0.00 C ATOM 945 C MET A 69 8.691 -6.429 -1.254 1.00 0.00 C ATOM 946 O MET A 69 7.732 -6.537 -0.487 1.00 0.00 O ATOM 947 CB MET A 69 7.244 -6.537 -3.291 1.00 0.00 C ATOM 948 CG MET A 69 6.964 -5.043 -3.250 1.00 0.00 C ATOM 949 SD MET A 69 7.494 -4.196 -4.751 1.00 0.00 S ATOM 950 CE MET A 69 5.934 -3.539 -5.338 1.00 0.00 C ATOM 0 H MET A 69 8.251 -8.897 -2.076 1.00 0.00 H new ATOM 0 HA MET A 69 9.391 -6.450 -3.274 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.202 -6.878 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.456 -7.061 -2.751 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.896 -4.881 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.473 -4.605 -2.391 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.966 -3.439 -6.423 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.126 -4.216 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.759 -2.561 -4.889 1.00 0.00 H new ATOM 960 N LEU A 70 9.849 -5.889 -0.891 1.00 0.00 N ATOM 961 CA LEU A 70 10.067 -5.379 0.458 1.00 0.00 C ATOM 962 C LEU A 70 9.223 -4.134 0.712 1.00 0.00 C ATOM 963 O LEU A 70 9.601 -3.026 0.328 1.00 0.00 O ATOM 964 CB LEU A 70 11.547 -5.058 0.671 1.00 0.00 C ATOM 965 CG LEU A 70 12.453 -6.248 0.990 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.911 -5.888 0.754 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.240 -6.711 2.424 1.00 0.00 C ATOM 0 H LEU A 70 10.652 -5.793 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 70 9.764 -6.151 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.925 -4.570 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.628 -4.337 1.484 1.00 0.00 H new ATOM 0 HG LEU A 70 12.191 -7.069 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.540 -6.747 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.052 -5.607 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.188 -5.052 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.893 -7.558 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.473 -5.895 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.201 -7.011 2.559 1.00 0.00 H new ATOM 979 N VAL A 71 8.080 -4.322 1.364 1.00 0.00 N ATOM 980 CA VAL A 71 7.184 -3.214 1.673 1.00 0.00 C ATOM 981 C VAL A 71 7.698 -2.406 2.859 1.00 0.00 C ATOM 982 O VAL A 71 7.576 -2.827 4.010 1.00 0.00 O ATOM 983 CB VAL A 71 5.761 -3.713 1.983 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.852 -2.546 2.339 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.202 -4.494 0.804 1.00 0.00 C ATOM 0 H VAL A 71 7.753 -5.232 1.689 1.00 0.00 H new ATOM 0 HA VAL A 71 7.152 -2.576 0.790 1.00 0.00 H new ATOM 0 HB VAL A 71 5.808 -4.382 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.850 -2.918 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.246 -2.033 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.808 -1.850 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.196 -4.839 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.168 -3.851 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.842 -5.353 0.600 1.00 0.00 H new ATOM 995 N CYS A 72 8.273 -1.243 2.572 1.00 0.00 N ATOM 996 CA CYS A 72 8.806 -0.375 3.615 1.00 0.00 C ATOM 997 C CYS A 72 7.794 -0.194 4.742 1.00 0.00 C ATOM 998 O CYS A 72 6.596 -0.404 4.554 1.00 0.00 O ATOM 999 CB CYS A 72 9.183 0.987 3.030 1.00 0.00 C ATOM 1000 SG CYS A 72 10.363 1.933 4.046 1.00 0.00 S ATOM 0 H CYS A 72 8.382 -0.880 1.625 1.00 0.00 H new ATOM 0 HA CYS A 72 9.699 -0.847 4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.611 0.839 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.276 1.578 2.900 1.00 0.00 H new ATOM 0 HG CYS A 72 11.041 2.740 3.285 1.00 0.00 H new ATOM 1005 N ASP A 73 8.285 0.195 5.914 1.00 0.00 N ATOM 1006 CA ASP A 73 7.424 0.406 7.072 1.00 0.00 C ATOM 1007 C ASP A 73 7.123 1.889 7.263 1.00 0.00 C ATOM 1008 O ASP A 73 5.994 2.270 7.572 1.00 0.00 O ATOM 1009 CB ASP A 73 8.081 -0.161 8.332 1.00 0.00 C ATOM 1010 CG ASP A 73 7.566 0.496 9.598 1.00 0.00 C ATOM 1011 OD1 ASP A 73 7.898 1.677 9.831 1.00 0.00 O ATOM 1012 OD2 ASP A 73 6.831 -0.171 10.355 1.00 0.00 O ATOM 0 H ASP A 73 9.275 0.371 6.087 1.00 0.00 H new ATOM 0 HA ASP A 73 6.484 -0.116 6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.898 -1.234 8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.161 -0.025 8.268 1.00 0.00 H new ATOM 1017 N THR A 74 8.142 2.723 7.078 1.00 0.00 N ATOM 1018 CA THR A 74 7.988 4.164 7.232 1.00 0.00 C ATOM 1019 C THR A 74 7.101 4.742 6.135 1.00 0.00 C ATOM 1020 O THR A 74 5.976 5.171 6.394 1.00 0.00 O ATOM 1021 CB THR A 74 9.351 4.881 7.206 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.130 4.493 8.343 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.168 6.391 7.201 1.00 0.00 C ATOM 0 H THR A 74 9.083 2.425 6.821 1.00 0.00 H new ATOM 0 HA THR A 74 7.518 4.330 8.201 1.00 0.00 H new ATOM 0 HB THR A 74 9.872 4.591 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.725 5.229 8.599 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.144 6.876 7.183 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.600 6.686 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.629 6.695 8.098 1.00 0.00 H new ATOM 1031 N CYS A 75 7.614 4.752 4.910 1.00 0.00 N ATOM 1032 CA CYS A 75 6.869 5.277 3.772 1.00 0.00 C ATOM 1033 C CYS A 75 5.812 4.280 3.307 1.00 0.00 C ATOM 1034 O CYS A 75 4.715 4.666 2.902 1.00 0.00 O ATOM 1035 CB CYS A 75 7.821 5.603 2.619 1.00 0.00 C ATOM 1036 SG CYS A 75 8.521 4.137 1.795 1.00 0.00 S ATOM 0 H CYS A 75 8.544 4.402 4.679 1.00 0.00 H new ATOM 0 HA CYS A 75 6.366 6.191 4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.288 6.202 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.637 6.217 2.999 1.00 0.00 H new ATOM 0 HG CYS A 75 9.280 3.491 2.630 1.00 0.00 H new ATOM 1041 N ASP A 76 6.149 2.997 3.368 1.00 0.00 N ATOM 1042 CA ASP A 76 5.229 1.944 2.955 1.00 0.00 C ATOM 1043 C ASP A 76 4.847 2.102 1.486 1.00 0.00 C ATOM 1044 O ASP A 76 3.666 2.165 1.144 1.00 0.00 O ATOM 1045 CB ASP A 76 3.973 1.963 3.827 1.00 0.00 C ATOM 1046 CG ASP A 76 3.098 0.745 3.608 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.349 -0.290 4.260 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.162 0.826 2.785 1.00 0.00 O ATOM 0 H ASP A 76 7.053 2.661 3.700 1.00 0.00 H new ATOM 0 HA ASP A 76 5.733 0.986 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.263 2.014 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.398 2.863 3.611 1.00 0.00 H new ATOM 1053 N LYS A 77 5.854 2.166 0.621 1.00 0.00 N ATOM 1054 CA LYS A 77 5.624 2.317 -0.811 1.00 0.00 C ATOM 1055 C LYS A 77 5.682 0.966 -1.516 1.00 0.00 C ATOM 1056 O LYS A 77 4.661 0.440 -1.956 1.00 0.00 O ATOM 1057 CB LYS A 77 6.661 3.266 -1.417 1.00 0.00 C ATOM 1058 CG LYS A 77 6.293 4.733 -1.285 1.00 0.00 C ATOM 1059 CD LYS A 77 7.278 5.624 -2.023 1.00 0.00 C ATOM 1060 CE LYS A 77 6.889 7.091 -1.921 1.00 0.00 C ATOM 1061 NZ LYS A 77 5.947 7.491 -3.003 1.00 0.00 N ATOM 0 H LYS A 77 6.837 2.116 0.887 1.00 0.00 H new ATOM 0 HA LYS A 77 4.629 2.738 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.623 3.096 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.788 3.026 -2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.290 4.894 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.270 5.010 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.277 5.482 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.321 5.330 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.429 7.278 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.785 7.709 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.706 8.497 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.396 7.336 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.081 6.919 -2.938 1.00 0.00 H new ATOM 1075 N GLY A 78 6.885 0.408 -1.618 1.00 0.00 N ATOM 1076 CA GLY A 78 7.053 -0.878 -2.270 1.00 0.00 C ATOM 1077 C GLY A 78 8.302 -0.935 -3.127 1.00 0.00 C ATOM 1078 O GLY A 78 8.463 -0.143 -4.056 1.00 0.00 O ATOM 0 H GLY A 78 7.745 0.823 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.099 -1.662 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.181 -1.084 -2.890 1.00 0.00 H new ATOM 1082 N TYR A 79 9.190 -1.873 -2.814 1.00 0.00 N ATOM 1083 CA TYR A 79 10.433 -2.027 -3.559 1.00 0.00 C ATOM 1084 C TYR A 79 10.854 -3.492 -3.620 1.00 0.00 C ATOM 1085 O TYR A 79 10.918 -4.175 -2.597 1.00 0.00 O ATOM 1086 CB TYR A 79 11.543 -1.192 -2.919 1.00 0.00 C ATOM 1087 CG TYR A 79 11.145 0.241 -2.651 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.315 0.565 -1.585 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.598 1.273 -3.464 1.00 0.00 C ATOM 1090 CE1 TYR A 79 9.948 1.873 -1.336 1.00 0.00 C ATOM 1091 CE2 TYR A 79 11.238 2.584 -3.223 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.412 2.879 -2.158 1.00 0.00 C ATOM 1093 OH TYR A 79 10.049 4.184 -1.915 1.00 0.00 O ATOM 0 H TYR A 79 9.071 -2.538 -2.049 1.00 0.00 H new ATOM 0 HA TYR A 79 10.263 -1.674 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.842 -1.659 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.416 -1.202 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.950 -0.220 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.243 1.045 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.302 2.107 -0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.601 3.374 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 79 10.462 4.768 -2.585 1.00 0.00 H new ATOM 1103 N HIS A 80 11.140 -3.970 -4.827 1.00 0.00 N ATOM 1104 CA HIS A 80 11.556 -5.354 -5.023 1.00 0.00 C ATOM 1105 C HIS A 80 12.996 -5.559 -4.560 1.00 0.00 C ATOM 1106 O HIS A 80 13.869 -4.732 -4.825 1.00 0.00 O ATOM 1107 CB HIS A 80 11.420 -5.746 -6.494 1.00 0.00 C ATOM 1108 CG HIS A 80 10.021 -5.635 -7.017 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.704 -4.970 -8.182 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.852 -6.110 -6.526 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.400 -5.039 -8.385 1.00 0.00 C ATOM 1112 NE2 HIS A 80 7.860 -5.726 -7.395 1.00 0.00 N ATOM 0 H HIS A 80 11.091 -3.419 -5.684 1.00 0.00 H new ATOM 0 HA HIS A 80 10.906 -5.992 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.074 -5.112 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.766 -6.772 -6.622 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.372 -4.498 -8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.724 -6.684 -5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.867 -4.607 -9.219 1.00 0.00 H new ATOM 1120 N THR A 81 13.237 -6.667 -3.867 1.00 0.00 N ATOM 1121 CA THR A 81 14.570 -6.981 -3.366 1.00 0.00 C ATOM 1122 C THR A 81 15.601 -6.949 -4.489 1.00 0.00 C ATOM 1123 O THR A 81 16.715 -6.457 -4.308 1.00 0.00 O ATOM 1124 CB THR A 81 14.605 -8.365 -2.691 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.004 -9.343 -3.547 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.877 -8.334 -1.356 1.00 0.00 C ATOM 0 H THR A 81 12.526 -7.363 -3.640 1.00 0.00 H new ATOM 0 HA THR A 81 14.818 -6.219 -2.627 1.00 0.00 H new ATOM 0 HB THR A 81 15.647 -8.632 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.032 -10.220 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.915 -9.322 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.356 -7.610 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.837 -8.047 -1.515 1.00 0.00 H new ATOM 1134 N PHE A 82 15.222 -7.476 -5.648 1.00 0.00 N ATOM 1135 CA PHE A 82 16.115 -7.508 -6.801 1.00 0.00 C ATOM 1136 C PHE A 82 16.137 -6.156 -7.509 1.00 0.00 C ATOM 1137 O PHE A 82 16.738 -6.010 -8.574 1.00 0.00 O ATOM 1138 CB PHE A 82 15.680 -8.601 -7.779 1.00 0.00 C ATOM 1139 CG PHE A 82 14.322 -8.367 -8.375 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.170 -7.561 -9.491 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.196 -8.954 -7.820 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.921 -7.343 -10.041 1.00 0.00 C ATOM 1143 CE2 PHE A 82 11.944 -8.741 -8.365 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.807 -7.935 -9.478 1.00 0.00 C ATOM 0 H PHE A 82 14.303 -7.887 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 82 17.121 -7.728 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.413 -8.671 -8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.681 -9.561 -7.262 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.038 -7.097 -9.937 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.298 -9.586 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.816 -6.710 -10.910 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.075 -9.204 -7.922 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.830 -7.768 -9.908 1.00 0.00 H new ATOM 1154 N CYS A 83 15.478 -5.170 -6.910 1.00 0.00 N ATOM 1155 CA CYS A 83 15.420 -3.830 -7.482 1.00 0.00 C ATOM 1156 C CYS A 83 16.229 -2.846 -6.643 1.00 0.00 C ATOM 1157 O CYS A 83 16.325 -1.663 -6.974 1.00 0.00 O ATOM 1158 CB CYS A 83 13.968 -3.359 -7.583 1.00 0.00 C ATOM 1159 SG CYS A 83 13.118 -3.892 -9.104 1.00 0.00 S ATOM 0 H CYS A 83 14.976 -5.274 -6.028 1.00 0.00 H new ATOM 0 HA CYS A 83 15.852 -3.869 -8.482 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.415 -3.732 -6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.946 -2.271 -7.529 1.00 0.00 H new ATOM 0 HG CYS A 83 13.228 -5.181 -9.234 1.00 0.00 H new ATOM 1164 N LEU A 84 16.808 -3.341 -5.555 1.00 0.00 N ATOM 1165 CA LEU A 84 17.610 -2.505 -4.667 1.00 0.00 C ATOM 1166 C LEU A 84 19.081 -2.541 -5.067 1.00 0.00 C ATOM 1167 O LEU A 84 19.543 -3.501 -5.682 1.00 0.00 O ATOM 1168 CB LEU A 84 17.452 -2.969 -3.218 1.00 0.00 C ATOM 1169 CG LEU A 84 16.043 -2.874 -2.632 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.932 -3.713 -1.369 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.681 -1.424 -2.345 1.00 0.00 C ATOM 0 H LEU A 84 16.738 -4.317 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 84 17.254 -1.478 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.782 -4.006 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.124 -2.380 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 84 15.338 -3.265 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.922 -3.633 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.147 -4.755 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.647 -3.353 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.675 -1.376 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.390 -1.007 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.718 -0.850 -3.271 1.00 0.00 H new ATOM 1183 N GLN A 85 19.811 -1.488 -4.712 1.00 0.00 N ATOM 1184 CA GLN A 85 21.231 -1.400 -5.034 1.00 0.00 C ATOM 1185 C GLN A 85 22.056 -1.124 -3.781 1.00 0.00 C ATOM 1186 O GLN A 85 22.099 -0.005 -3.270 1.00 0.00 O ATOM 1187 CB GLN A 85 21.474 -0.303 -6.071 1.00 0.00 C ATOM 1188 CG GLN A 85 22.945 -0.002 -6.305 1.00 0.00 C ATOM 1189 CD GLN A 85 23.576 -0.930 -7.324 1.00 0.00 C ATOM 1190 OE1 GLN A 85 23.684 -2.135 -7.100 1.00 0.00 O ATOM 1191 NE2 GLN A 85 23.996 -0.371 -8.453 1.00 0.00 N ATOM 0 H GLN A 85 19.443 -0.685 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 85 21.544 -2.358 -5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.018 -0.600 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.972 0.609 -5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 85 23.052 1.029 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 85 23.484 -0.085 -5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 85 23.886 0.633 -8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 85 24.428 -0.946 -9.177 1.00 0.00 H new ATOM 1200 N PRO A 86 22.728 -2.168 -3.273 1.00 0.00 N ATOM 1201 CA PRO A 86 22.684 -3.505 -3.872 1.00 0.00 C ATOM 1202 C PRO A 86 21.324 -4.173 -3.701 1.00 0.00 C ATOM 1203 O PRO A 86 20.395 -3.580 -3.152 1.00 0.00 O ATOM 1204 CB PRO A 86 23.758 -4.275 -3.099 1.00 0.00 C ATOM 1205 CG PRO A 86 23.859 -3.574 -1.789 1.00 0.00 C ATOM 1206 CD PRO A 86 23.582 -2.123 -2.074 1.00 0.00 C ATOM 0 HA PRO A 86 22.852 -3.475 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.478 -5.320 -2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.711 -4.264 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 86 23.140 -3.976 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.849 -3.704 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.076 -1.639 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.501 -1.567 -2.256 1.00 0.00 H new ATOM 1214 N VAL A 87 21.213 -5.410 -4.175 1.00 0.00 N ATOM 1215 CA VAL A 87 19.966 -6.158 -4.073 1.00 0.00 C ATOM 1216 C VAL A 87 19.983 -7.093 -2.869 1.00 0.00 C ATOM 1217 O VAL A 87 21.019 -7.660 -2.526 1.00 0.00 O ATOM 1218 CB VAL A 87 19.701 -6.984 -5.347 1.00 0.00 C ATOM 1219 CG1 VAL A 87 20.999 -7.232 -6.101 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.018 -8.297 -4.997 1.00 0.00 C ATOM 0 H VAL A 87 21.972 -5.915 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 87 19.167 -5.427 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 87 19.034 -6.416 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.793 -7.817 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 87 21.443 -6.278 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 87 21.692 -7.780 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.838 -8.868 -5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 87 19.658 -8.873 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.068 -8.093 -4.503 1.00 0.00 H new ATOM 1230 N MET A 88 18.827 -7.250 -2.232 1.00 0.00 N ATOM 1231 CA MET A 88 18.708 -8.118 -1.067 1.00 0.00 C ATOM 1232 C MET A 88 18.577 -9.578 -1.488 1.00 0.00 C ATOM 1233 O MET A 88 17.472 -10.075 -1.707 1.00 0.00 O ATOM 1234 CB MET A 88 17.502 -7.709 -0.220 1.00 0.00 C ATOM 1235 CG MET A 88 17.744 -6.466 0.622 1.00 0.00 C ATOM 1236 SD MET A 88 18.487 -6.844 2.220 1.00 0.00 S ATOM 1237 CE MET A 88 17.242 -6.198 3.334 1.00 0.00 C ATOM 0 H MET A 88 17.960 -6.787 -2.503 1.00 0.00 H new ATOM 0 HA MET A 88 19.614 -8.010 -0.471 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.650 -7.533 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.232 -8.536 0.437 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.394 -5.783 0.076 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.798 -5.948 0.779 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.147 -6.858 4.196 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.535 -5.203 3.669 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.285 -6.139 2.815 1.00 0.00 H new ATOM 1247 N LYS A 89 19.711 -10.262 -1.600 1.00 0.00 N ATOM 1248 CA LYS A 89 19.723 -11.665 -1.993 1.00 0.00 C ATOM 1249 C LYS A 89 18.562 -12.420 -1.355 1.00 0.00 C ATOM 1250 O LYS A 89 17.943 -13.276 -1.987 1.00 0.00 O ATOM 1251 CB LYS A 89 21.049 -12.317 -1.594 1.00 0.00 C ATOM 1252 CG LYS A 89 22.121 -12.221 -2.666 1.00 0.00 C ATOM 1253 CD LYS A 89 23.515 -12.192 -2.060 1.00 0.00 C ATOM 1254 CE LYS A 89 24.497 -11.454 -2.956 1.00 0.00 C ATOM 1255 NZ LYS A 89 25.729 -11.056 -2.220 1.00 0.00 N ATOM 0 H LYS A 89 20.634 -9.866 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 89 19.613 -11.713 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.416 -11.846 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.872 -13.367 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.036 -13.070 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.963 -11.321 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 89 23.478 -11.709 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 89 23.864 -13.212 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 89 24.767 -12.089 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 89 24.017 -10.566 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 26.373 -10.556 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 25.474 -10.429 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 26.201 -11.905 -1.849 1.00 0.00 H new ATOM 1269 N SER A 90 18.270 -12.095 -0.099 1.00 0.00 N ATOM 1270 CA SER A 90 17.183 -12.744 0.625 1.00 0.00 C ATOM 1271 C SER A 90 16.306 -11.712 1.327 1.00 0.00 C ATOM 1272 O SER A 90 16.610 -10.519 1.328 1.00 0.00 O ATOM 1273 CB SER A 90 17.744 -13.734 1.648 1.00 0.00 C ATOM 1274 OG SER A 90 18.381 -14.825 1.007 1.00 0.00 O ATOM 0 H SER A 90 18.771 -11.387 0.438 1.00 0.00 H new ATOM 0 HA SER A 90 16.571 -13.285 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.455 -13.225 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.938 -14.102 2.283 1.00 0.00 H new ATOM 0 HG SER A 90 18.732 -15.442 1.683 1.00 0.00 H new ATOM 1280 N VAL A 91 15.214 -12.181 1.923 1.00 0.00 N ATOM 1281 CA VAL A 91 14.291 -11.300 2.629 1.00 0.00 C ATOM 1282 C VAL A 91 14.458 -11.427 4.139 1.00 0.00 C ATOM 1283 O VAL A 91 14.424 -12.520 4.703 1.00 0.00 O ATOM 1284 CB VAL A 91 12.828 -11.607 2.259 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.881 -10.684 3.011 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.623 -11.484 0.756 1.00 0.00 C ATOM 0 H VAL A 91 14.947 -13.165 1.931 1.00 0.00 H new ATOM 0 HA VAL A 91 14.529 -10.281 2.323 1.00 0.00 H new ATOM 0 HB VAL A 91 12.605 -12.633 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.852 -10.916 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.011 -10.825 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.101 -9.648 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.584 -11.704 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.864 -10.470 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.274 -12.190 0.241 1.00 0.00 H new ATOM 1296 N PRO A 92 14.643 -10.281 4.812 1.00 0.00 N ATOM 1297 CA PRO A 92 14.818 -10.237 6.267 1.00 0.00 C ATOM 1298 C PRO A 92 13.536 -10.584 7.016 1.00 0.00 C ATOM 1299 O PRO A 92 12.531 -10.957 6.409 1.00 0.00 O ATOM 1300 CB PRO A 92 15.215 -8.782 6.532 1.00 0.00 C ATOM 1301 CG PRO A 92 14.639 -8.018 5.391 1.00 0.00 C ATOM 1302 CD PRO A 92 14.694 -8.941 4.205 1.00 0.00 C ATOM 0 HA PRO A 92 15.554 -10.964 6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.818 -8.431 7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.298 -8.669 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.614 -7.715 5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.208 -7.108 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.856 -8.775 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.606 -8.797 3.626 1.00 0.00 H new ATOM 1310 N THR A 93 13.577 -10.460 8.339 1.00 0.00 N ATOM 1311 CA THR A 93 12.419 -10.761 9.171 1.00 0.00 C ATOM 1312 C THR A 93 11.597 -9.507 9.446 1.00 0.00 C ATOM 1313 O THR A 93 10.393 -9.476 9.197 1.00 0.00 O ATOM 1314 CB THR A 93 12.840 -11.389 10.513 1.00 0.00 C ATOM 1315 OG1 THR A 93 13.632 -12.559 10.280 1.00 0.00 O ATOM 1316 CG2 THR A 93 11.620 -11.754 11.346 1.00 0.00 C ATOM 0 H THR A 93 14.400 -10.153 8.857 1.00 0.00 H new ATOM 0 HA THR A 93 11.810 -11.476 8.618 1.00 0.00 H new ATOM 0 HB THR A 93 13.430 -10.655 11.063 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.897 -12.951 11.138 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.942 -12.196 12.289 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.035 -10.857 11.547 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.008 -12.472 10.800 1.00 0.00 H new ATOM 1324 N ASN A 94 12.257 -8.474 9.959 1.00 0.00 N ATOM 1325 CA ASN A 94 11.587 -7.216 10.267 1.00 0.00 C ATOM 1326 C ASN A 94 12.602 -6.122 10.587 1.00 0.00 C ATOM 1327 O ASN A 94 13.657 -6.389 11.160 1.00 0.00 O ATOM 1328 CB ASN A 94 10.630 -7.399 11.447 1.00 0.00 C ATOM 1329 CG ASN A 94 11.335 -7.908 12.689 1.00 0.00 C ATOM 1330 OD1 ASN A 94 12.303 -7.308 13.157 1.00 0.00 O ATOM 1331 ND2 ASN A 94 10.852 -9.021 13.230 1.00 0.00 N ATOM 0 H ASN A 94 13.255 -8.483 10.170 1.00 0.00 H new ATOM 0 HA ASN A 94 11.017 -6.913 9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.147 -6.448 11.671 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.842 -8.098 11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.286 -9.411 14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.048 -9.485 12.809 1.00 0.00 H new ATOM 1338 N GLY A 95 12.274 -4.890 10.212 1.00 0.00 N ATOM 1339 CA GLY A 95 13.166 -3.774 10.467 1.00 0.00 C ATOM 1340 C GLY A 95 13.913 -3.333 9.223 1.00 0.00 C ATOM 1341 O GLY A 95 15.139 -3.225 9.233 1.00 0.00 O ATOM 0 H GLY A 95 11.406 -4.644 9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.591 -2.935 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.884 -4.055 11.238 1.00 0.00 H new ATOM 1345 N TRP A 96 13.172 -3.078 8.151 1.00 0.00 N ATOM 1346 CA TRP A 96 13.772 -2.647 6.893 1.00 0.00 C ATOM 1347 C TRP A 96 13.408 -1.199 6.583 1.00 0.00 C ATOM 1348 O TRP A 96 12.353 -0.713 6.992 1.00 0.00 O ATOM 1349 CB TRP A 96 13.318 -3.556 5.750 1.00 0.00 C ATOM 1350 CG TRP A 96 14.070 -3.327 4.474 1.00 0.00 C ATOM 1351 CD1 TRP A 96 15.280 -3.860 4.129 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.664 -2.505 3.375 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.650 -3.418 2.882 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.675 -2.586 2.397 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.543 -1.710 3.120 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.597 -1.901 1.188 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.468 -1.030 1.919 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.489 -1.130 0.965 1.00 0.00 C ATOM 0 H TRP A 96 12.156 -3.162 8.127 1.00 0.00 H new ATOM 0 HA TRP A 96 14.855 -2.715 6.994 1.00 0.00 H new ATOM 0 HB2 TRP A 96 13.439 -4.596 6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 96 12.255 -3.398 5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.860 -4.530 4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.511 -3.669 2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.750 -1.629 3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.384 -1.975 0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.607 -0.411 1.712 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.400 -0.588 0.035 1.00 0.00 H new ATOM 1369 N LYS A 97 14.287 -0.514 5.860 1.00 0.00 N ATOM 1370 CA LYS A 97 14.057 0.878 5.494 1.00 0.00 C ATOM 1371 C LYS A 97 14.586 1.167 4.092 1.00 0.00 C ATOM 1372 O LYS A 97 15.755 0.920 3.796 1.00 0.00 O ATOM 1373 CB LYS A 97 14.728 1.810 6.505 1.00 0.00 C ATOM 1374 CG LYS A 97 14.090 3.186 6.581 1.00 0.00 C ATOM 1375 CD LYS A 97 14.488 3.916 7.853 1.00 0.00 C ATOM 1376 CE LYS A 97 14.433 5.425 7.670 1.00 0.00 C ATOM 1377 NZ LYS A 97 13.087 5.974 7.995 1.00 0.00 N ATOM 0 H LYS A 97 15.166 -0.901 5.516 1.00 0.00 H new ATOM 0 HA LYS A 97 12.982 1.056 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.693 1.348 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.780 1.921 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.389 3.775 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.005 3.088 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.823 3.622 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.496 3.620 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.181 5.896 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.689 5.676 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.043 6.975 7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.360 5.438 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.917 5.893 9.018 1.00 0.00 H new ATOM 1391 N CYS A 98 13.718 1.691 3.234 1.00 0.00 N ATOM 1392 CA CYS A 98 14.097 2.015 1.864 1.00 0.00 C ATOM 1393 C CYS A 98 15.007 3.240 1.826 1.00 0.00 C ATOM 1394 O CYS A 98 14.985 4.072 2.733 1.00 0.00 O ATOM 1395 CB CYS A 98 12.851 2.265 1.013 1.00 0.00 C ATOM 1396 SG CYS A 98 12.119 3.919 1.233 1.00 0.00 S ATOM 0 H CYS A 98 12.746 1.901 3.463 1.00 0.00 H new ATOM 0 HA CYS A 98 14.644 1.165 1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.109 2.130 -0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.101 1.512 1.256 1.00 0.00 H new ATOM 0 HG CYS A 98 10.841 3.804 1.440 1.00 0.00 H new ATOM 1401 N LYS A 99 15.805 3.344 0.769 1.00 0.00 N ATOM 1402 CA LYS A 99 16.722 4.467 0.610 1.00 0.00 C ATOM 1403 C LYS A 99 16.003 5.793 0.840 1.00 0.00 C ATOM 1404 O LYS A 99 16.384 6.573 1.710 1.00 0.00 O ATOM 1405 CB LYS A 99 17.346 4.448 -0.787 1.00 0.00 C ATOM 1406 CG LYS A 99 18.195 5.671 -1.090 1.00 0.00 C ATOM 1407 CD LYS A 99 17.349 6.823 -1.607 1.00 0.00 C ATOM 1408 CE LYS A 99 18.189 7.828 -2.380 1.00 0.00 C ATOM 1409 NZ LYS A 99 18.743 7.242 -3.632 1.00 0.00 N ATOM 0 H LYS A 99 15.835 2.664 0.009 1.00 0.00 H new ATOM 0 HA LYS A 99 17.511 4.368 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.962 3.554 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.552 4.374 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.722 5.982 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.953 5.415 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.559 6.436 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.861 7.322 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.580 8.698 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.007 8.178 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.963 8.004 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.611 6.713 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.043 6.599 -4.054 1.00 0.00 H new ATOM 1423 N ASN A 100 14.960 6.039 0.053 1.00 0.00 N ATOM 1424 CA ASN A 100 14.187 7.270 0.172 1.00 0.00 C ATOM 1425 C ASN A 100 13.874 7.577 1.633 1.00 0.00 C ATOM 1426 O ASN A 100 13.598 8.722 1.993 1.00 0.00 O ATOM 1427 CB ASN A 100 12.888 7.160 -0.627 1.00 0.00 C ATOM 1428 CG ASN A 100 13.136 6.922 -2.104 1.00 0.00 C ATOM 1429 OD1 ASN A 100 14.073 6.220 -2.483 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.293 7.509 -2.947 1.00 0.00 N ATOM 0 H ASN A 100 14.631 5.403 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 100 14.786 8.086 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.286 6.344 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.309 8.075 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.409 7.386 -3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.530 8.083 -2.588 1.00 0.00 H new ATOM 1437 N CYS A 101 13.921 6.547 2.472 1.00 0.00 N ATOM 1438 CA CYS A 101 13.643 6.705 3.894 1.00 0.00 C ATOM 1439 C CYS A 101 14.936 6.880 4.685 1.00 0.00 C ATOM 1440 O CYS A 101 15.025 7.734 5.567 1.00 0.00 O ATOM 1441 CB CYS A 101 12.869 5.495 4.421 1.00 0.00 C ATOM 1442 SG CYS A 101 11.060 5.643 4.266 1.00 0.00 S ATOM 0 H CYS A 101 14.149 5.593 2.191 1.00 0.00 H new ATOM 0 HA CYS A 101 13.035 7.601 4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.197 4.605 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.122 5.345 5.471 1.00 0.00 H new ATOM 0 HG CYS A 101 10.535 4.458 4.166 1.00 0.00 H new ATOM 1447 N ARG A 102 15.935 6.066 4.362 1.00 0.00 N ATOM 1448 CA ARG A 102 17.223 6.130 5.042 1.00 0.00 C ATOM 1449 C ARG A 102 17.787 7.548 5.006 1.00 0.00 C ATOM 1450 O ARG A 102 18.635 7.910 5.822 1.00 0.00 O ATOM 1451 CB ARG A 102 18.214 5.159 4.397 1.00 0.00 C ATOM 1452 CG ARG A 102 18.987 5.761 3.235 1.00 0.00 C ATOM 1453 CD ARG A 102 20.172 4.891 2.844 1.00 0.00 C ATOM 1454 NE ARG A 102 21.381 5.249 3.582 1.00 0.00 N ATOM 1455 CZ ARG A 102 22.388 4.410 3.793 1.00 0.00 C ATOM 1456 NH1 ARG A 102 22.332 3.171 3.326 1.00 0.00 N ATOM 1457 NH2 ARG A 102 23.455 4.810 4.474 1.00 0.00 N ATOM 0 H ARG A 102 15.877 5.354 3.634 1.00 0.00 H new ATOM 0 HA ARG A 102 17.070 5.844 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.920 4.817 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.673 4.280 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.324 5.881 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.339 6.756 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.930 3.844 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.357 4.990 1.774 1.00 0.00 H new ATOM 0 HE ARG A 102 21.455 6.195 3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.514 2.860 2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.107 2.529 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.502 5.763 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.228 4.165 4.636 1.00 0.00 H new ATOM 1471 N ILE A 103 17.311 8.344 4.055 1.00 0.00 N ATOM 1472 CA ILE A 103 17.767 9.721 3.914 1.00 0.00 C ATOM 1473 C ILE A 103 17.896 10.400 5.273 1.00 0.00 C ATOM 1474 O ILE A 103 17.026 10.259 6.134 1.00 0.00 O ATOM 1475 CB ILE A 103 16.811 10.544 3.030 1.00 0.00 C ATOM 1476 CG1 ILE A 103 16.694 9.912 1.641 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.292 11.983 2.925 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.027 9.714 0.954 1.00 0.00 C ATOM 0 H ILE A 103 16.610 8.059 3.371 1.00 0.00 H new ATOM 0 HA ILE A 103 18.746 9.681 3.436 1.00 0.00 H new ATOM 0 HB ILE A 103 15.824 10.545 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.193 8.948 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.062 10.543 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.606 12.551 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.327 12.428 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.288 12.002 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.868 9.262 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 103 18.521 10.678 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 103 18.654 9.059 1.559 1.00 0.00 H new