USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot -52:sc= 0.664 USER MOD Set 1.2: A 80 TYR OH : rot -36:sc= 1.05 USER MOD Set 2.1: A 26 THR OG1 : rot -47:sc= 1.27 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 1.05 K(o=2.3,f=-5.4!) USER MOD Single : A 12 MET CE :methyl -172:sc= -0.332 (180deg=-0.489) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.544 K(o=-0.54,f=-2.7!) USER MOD Single : A 17 TYR OH : rot 50:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -127:sc=-0.00103 (180deg=-0.629) USER MOD Single : A 28 THR OG1 : rot 28:sc= 0.139 USER MOD Single : A 29 CYS SG : rot 10:sc= 0.158 USER MOD Single : A 34 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0.983 (180deg=0.921) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.8 (180deg=1.69) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.585 USER MOD Single : A 54 HIS : no HD1:sc= -0.0589 K(o=-0.059,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00355 X(o=-0.0036,f=-0.073) USER MOD Single : A 64 THR OG1 : rot 140:sc= 0.654 USER MOD Single : A 65 CYS SG : rot 170:sc= 0.789 USER MOD Single : A 66 SER OG : rot 35:sc= 0.0513 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -55:sc= 0.851 USER MOD Single : A 79 ASN : amide:sc= -0.0234 K(o=-0.023,f=-2.2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -124:sc= -0.0544 (180deg=-0.267) USER MOD Single : A 86 ASN : amide:sc= -0.397! C(o=-0.4!,f=-10!) USER MOD Single : A 88 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.13) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -163:sc= -0.0384 (180deg=-0.37) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.887 10.028 3.690 1.00 0.00 N ATOM 67 CA ALA A 7 -3.272 10.357 3.376 1.00 0.00 C ATOM 68 C ALA A 7 -3.838 11.368 4.366 1.00 0.00 C ATOM 69 O ALA A 7 -3.493 11.350 5.550 1.00 0.00 O ATOM 70 CB ALA A 7 -4.128 9.097 3.359 1.00 0.00 C ATOM 0 HA ALA A 7 -3.291 10.809 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.159 9.361 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.748 8.409 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.091 8.619 4.338 1.00 0.00 H new ATOM 76 N PRO A 8 -4.702 12.249 3.876 1.00 0.00 N ATOM 77 CA PRO A 8 -5.313 13.270 4.717 1.00 0.00 C ATOM 78 C PRO A 8 -5.987 12.647 5.937 1.00 0.00 C ATOM 79 O PRO A 8 -6.734 11.674 5.818 1.00 0.00 O ATOM 80 CB PRO A 8 -6.321 13.962 3.792 1.00 0.00 C ATOM 81 CG PRO A 8 -5.763 13.765 2.423 1.00 0.00 C ATOM 82 CD PRO A 8 -5.128 12.401 2.443 1.00 0.00 C ATOM 0 HA PRO A 8 -4.586 13.973 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.313 13.520 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.420 15.021 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.546 13.823 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.031 14.536 2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.832 11.623 2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.280 12.340 1.761 1.00 0.00 H new ATOM 90 N PHE A 9 -5.716 13.210 7.109 1.00 0.00 N ATOM 91 CA PHE A 9 -6.340 12.752 8.342 1.00 0.00 C ATOM 92 C PHE A 9 -6.498 13.894 9.337 1.00 0.00 C ATOM 93 O PHE A 9 -5.533 14.586 9.662 1.00 0.00 O ATOM 94 CB PHE A 9 -5.520 11.620 8.964 1.00 0.00 C ATOM 95 CG PHE A 9 -6.020 11.179 10.311 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.094 10.309 10.416 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.417 11.634 11.474 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.556 9.903 11.655 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.875 11.229 12.712 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.945 10.363 12.802 1.00 0.00 C ATOM 0 H PHE A 9 -5.066 13.987 7.230 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.334 12.377 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.525 10.766 8.287 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.484 11.944 9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.575 9.944 9.521 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.580 12.313 11.411 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.395 9.226 11.724 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.396 11.590 13.610 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.304 10.046 13.770 1.00 0.00 H new ATOM 110 N PHE A 10 -7.720 14.086 9.823 1.00 0.00 N ATOM 111 CA PHE A 10 -8.006 15.141 10.786 1.00 0.00 C ATOM 112 C PHE A 10 -7.385 14.830 12.144 1.00 0.00 C ATOM 113 O PHE A 10 -8.034 14.246 13.012 1.00 0.00 O ATOM 114 CB PHE A 10 -9.516 15.338 10.928 1.00 0.00 C ATOM 115 CG PHE A 10 -10.176 15.879 9.691 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.935 17.178 9.271 1.00 0.00 C ATOM 117 CD2 PHE A 10 -11.037 15.089 8.946 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.542 17.678 8.134 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.645 15.585 7.807 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.397 16.879 7.402 1.00 0.00 C ATOM 0 H PHE A 10 -8.530 13.522 9.564 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.562 16.065 10.414 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.975 14.383 11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.708 16.018 11.758 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.265 17.807 9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.236 14.074 9.258 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.347 18.693 7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.314 14.959 7.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.871 17.267 6.513 1.00 0.00 H new ATOM 130 N GLU A 11 -6.129 15.224 12.317 1.00 0.00 N ATOM 131 CA GLU A 11 -5.469 15.129 13.611 1.00 0.00 C ATOM 132 C GLU A 11 -6.147 16.027 14.643 1.00 0.00 C ATOM 133 O GLU A 11 -5.992 15.834 15.847 1.00 0.00 O ATOM 134 CB GLU A 11 -3.988 15.495 13.485 1.00 0.00 C ATOM 135 CG GLU A 11 -3.728 16.962 13.172 1.00 0.00 C ATOM 136 CD GLU A 11 -2.255 17.250 13.086 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.571 17.045 14.059 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.795 17.568 12.015 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.547 15.613 11.575 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.550 14.097 13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.482 15.239 14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.540 14.884 12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.208 17.225 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.178 17.586 13.944 1.00 0.00 H new ATOM 145 N MET A 12 -6.895 17.013 14.158 1.00 0.00 N ATOM 146 CA MET A 12 -7.806 17.771 15.006 1.00 0.00 C ATOM 147 C MET A 12 -9.150 17.980 14.323 1.00 0.00 C ATOM 148 O MET A 12 -9.243 18.685 13.319 1.00 0.00 O ATOM 149 CB MET A 12 -7.184 19.118 15.374 1.00 0.00 C ATOM 150 CG MET A 12 -8.046 19.979 16.288 1.00 0.00 C ATOM 151 SD MET A 12 -7.231 21.516 16.765 1.00 0.00 S ATOM 152 CE MET A 12 -7.372 22.460 15.250 1.00 0.00 C ATOM 0 H MET A 12 -6.888 17.305 13.181 1.00 0.00 H new ATOM 0 HA MET A 12 -7.978 17.197 15.916 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.225 18.941 15.860 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.980 19.673 14.458 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.984 20.211 15.784 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.297 19.412 17.184 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.792 23.378 15.338 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.992 21.869 14.416 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.418 22.708 15.072 1.00 0.00 H new ATOM 162 N LYS A 13 -10.191 17.365 14.880 1.00 0.00 N ATOM 163 CA LYS A 13 -11.490 17.316 14.219 1.00 0.00 C ATOM 164 C LYS A 13 -12.399 18.442 14.700 1.00 0.00 C ATOM 165 O LYS A 13 -12.117 19.088 15.711 1.00 0.00 O ATOM 166 CB LYS A 13 -12.158 15.961 14.457 1.00 0.00 C ATOM 167 CG LYS A 13 -11.424 14.780 13.838 1.00 0.00 C ATOM 168 CD LYS A 13 -12.147 13.471 14.115 1.00 0.00 C ATOM 169 CE LYS A 13 -11.435 12.294 13.466 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.140 11.008 13.715 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.159 16.895 15.785 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.326 17.448 13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.245 15.796 15.531 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.171 15.994 14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.336 14.928 12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.411 14.729 14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.212 13.310 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.169 13.532 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.360 12.464 12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.417 12.230 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.621 10.233 13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.190 10.832 14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.103 11.059 13.325 1.00 0.00 H new ATOM 184 N LEU A 14 -13.487 18.671 13.973 1.00 0.00 N ATOM 185 CA LEU A 14 -14.463 19.680 14.357 1.00 0.00 C ATOM 186 C LEU A 14 -15.422 19.148 15.411 1.00 0.00 C ATOM 187 O LEU A 14 -15.611 17.938 15.540 1.00 0.00 O ATOM 188 CB LEU A 14 -15.239 20.162 13.125 1.00 0.00 C ATOM 189 CG LEU A 14 -14.392 20.853 12.049 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.264 21.227 10.858 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.727 22.087 12.640 1.00 0.00 C ATOM 0 H LEU A 14 -13.714 18.170 13.114 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.924 20.523 14.790 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.742 19.306 12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.016 20.853 13.452 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.617 20.170 11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.653 21.717 10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.711 20.326 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.052 21.906 11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.125 22.578 11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.492 22.776 12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.087 21.792 13.472 1.00 0.00 H new ATOM 203 N LYS A 15 -16.027 20.056 16.170 1.00 0.00 N ATOM 204 CA LYS A 15 -17.044 19.689 17.148 1.00 0.00 C ATOM 205 C LYS A 15 -18.403 20.266 16.773 1.00 0.00 C ATOM 206 O LYS A 15 -18.527 20.994 15.788 1.00 0.00 O ATOM 207 CB LYS A 15 -16.639 20.159 18.545 1.00 0.00 C ATOM 208 CG LYS A 15 -15.347 19.545 19.067 1.00 0.00 C ATOM 209 CD LYS A 15 -15.038 20.021 20.478 1.00 0.00 C ATOM 210 CE LYS A 15 -13.758 19.389 21.008 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.445 19.845 22.390 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.829 21.056 16.126 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.126 18.602 17.152 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.532 21.244 18.533 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.445 19.926 19.241 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.429 18.458 19.058 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.523 19.808 18.404 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.940 21.107 20.484 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.869 19.772 21.138 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.858 18.304 20.998 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.929 19.639 20.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.567 19.392 22.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.325 20.878 22.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.225 19.584 23.027 1.00 0.00 H new ATOM 225 N HIS A 16 -19.418 19.936 17.567 1.00 0.00 N ATOM 226 CA HIS A 16 -20.738 20.533 17.407 1.00 0.00 C ATOM 227 C HIS A 16 -20.760 21.963 17.928 1.00 0.00 C ATOM 228 O HIS A 16 -20.696 22.195 19.138 1.00 0.00 O ATOM 229 CB HIS A 16 -21.802 19.697 18.125 1.00 0.00 C ATOM 230 CG HIS A 16 -23.199 20.195 17.917 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.289 19.634 18.548 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.682 21.198 17.149 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.385 20.274 18.176 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.044 21.226 17.328 1.00 0.00 N ATOM 0 H HIS A 16 -19.351 19.259 18.327 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.966 20.551 16.341 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.737 18.666 17.777 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.584 19.687 19.193 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.255 18.849 19.199 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.105 21.854 16.514 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.389 20.055 18.510 1.00 0.00 H new ATOM 242 N TYR A 17 -20.853 22.923 17.015 1.00 0.00 N ATOM 243 CA TYR A 17 -20.737 24.333 17.367 1.00 0.00 C ATOM 244 C TYR A 17 -22.110 24.974 17.535 1.00 0.00 C ATOM 245 O TYR A 17 -23.050 24.647 16.811 1.00 0.00 O ATOM 246 CB TYR A 17 -19.934 25.084 16.304 1.00 0.00 C ATOM 247 CG TYR A 17 -18.529 24.558 16.112 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.559 24.747 17.086 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.174 23.877 14.956 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.274 24.269 16.916 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.892 23.394 14.775 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.945 23.593 15.759 1.00 0.00 C ATOM 253 OH TYR A 17 -14.665 23.116 15.584 1.00 0.00 O ATOM 0 H TYR A 17 -21.009 22.749 16.022 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.212 24.397 18.320 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.466 25.028 15.354 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.883 26.138 16.578 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.813 25.277 17.992 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.913 23.722 14.184 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.531 24.424 17.684 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.633 22.865 13.870 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.393 22.609 16.378 1.00 0.00 H new ATOM 263 N LYS A 18 -22.214 25.884 18.495 1.00 0.00 N ATOM 264 CA LYS A 18 -23.457 26.609 18.727 1.00 0.00 C ATOM 265 C LYS A 18 -23.199 28.096 18.935 1.00 0.00 C ATOM 266 O LYS A 18 -22.234 28.484 19.594 1.00 0.00 O ATOM 267 CB LYS A 18 -24.196 26.030 19.936 1.00 0.00 C ATOM 268 CG LYS A 18 -24.716 24.613 19.735 1.00 0.00 C ATOM 269 CD LYS A 18 -25.524 24.145 20.936 1.00 0.00 C ATOM 270 CE LYS A 18 -26.018 22.718 20.750 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.807 22.245 21.919 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.453 26.138 19.125 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.080 26.493 17.840 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.525 26.040 20.795 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.036 26.681 20.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.336 24.575 18.839 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.878 23.936 19.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.911 24.205 21.835 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.375 24.810 21.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.632 22.661 19.851 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.166 22.056 20.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.124 21.269 21.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.214 22.275 22.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.635 22.860 22.051 1.00 0.00 H new ATOM 285 N ILE A 19 -24.069 28.925 18.370 1.00 0.00 N ATOM 286 CA ILE A 19 -23.906 30.375 18.446 1.00 0.00 C ATOM 287 C ILE A 19 -25.256 31.078 18.457 1.00 0.00 C ATOM 288 O ILE A 19 -26.230 30.587 17.886 1.00 0.00 O ATOM 289 CB ILE A 19 -23.067 30.913 17.273 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.631 32.355 17.547 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.854 30.830 15.974 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.628 32.487 18.669 1.00 0.00 C ATOM 0 H ILE A 19 -24.894 28.620 17.854 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.382 30.584 19.379 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.174 30.296 17.173 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.201 32.774 16.637 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.511 32.951 17.787 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.246 31.214 15.155 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.117 29.791 15.774 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.763 31.425 16.061 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.368 33.537 18.803 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.061 32.100 19.591 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.730 31.920 18.423 1.00 0.00 H new ATOM 304 N PHE A 20 -25.311 32.234 19.112 1.00 0.00 N ATOM 305 CA PHE A 20 -26.500 33.075 19.086 1.00 0.00 C ATOM 306 C PHE A 20 -26.616 33.825 17.769 1.00 0.00 C ATOM 307 O PHE A 20 -25.614 34.218 17.175 1.00 0.00 O ATOM 308 CB PHE A 20 -26.480 34.063 20.253 1.00 0.00 C ATOM 309 CG PHE A 20 -26.781 33.436 21.585 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.088 33.176 21.966 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.756 33.102 22.457 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.366 32.599 23.191 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.031 32.524 23.682 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.335 32.273 24.049 1.00 0.00 C ATOM 0 H PHE A 20 -24.543 32.609 19.668 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.370 32.426 19.185 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.500 34.537 20.299 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.207 34.852 20.061 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.899 33.427 21.298 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.731 33.296 22.176 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.389 32.403 23.477 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.223 32.269 24.352 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.550 31.822 25.006 1.00 0.00 H new ATOM 324 N GLU A 21 -27.851 34.021 17.311 1.00 0.00 N ATOM 325 CA GLU A 21 -28.100 34.702 16.044 1.00 0.00 C ATOM 326 C GLU A 21 -27.409 36.060 16.007 1.00 0.00 C ATOM 327 O GLU A 21 -27.631 36.906 16.872 1.00 0.00 O ATOM 328 CB GLU A 21 -29.603 34.869 15.812 1.00 0.00 C ATOM 329 CG GLU A 21 -29.967 35.474 14.463 1.00 0.00 C ATOM 330 CD GLU A 21 -31.456 35.609 14.309 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.164 35.227 15.209 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.882 36.196 13.342 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.694 33.718 17.799 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.686 34.086 15.245 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.083 33.894 15.901 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.013 35.499 16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.499 36.453 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.572 34.848 13.663 1.00 0.00 H new ATOM 339 N GLY A 22 -26.574 36.261 14.993 1.00 0.00 N ATOM 340 CA GLY A 22 -25.976 37.567 14.741 1.00 0.00 C ATOM 341 C GLY A 22 -24.539 37.625 15.244 1.00 0.00 C ATOM 342 O GLY A 22 -23.778 38.522 14.883 1.00 0.00 O ATOM 0 H GLY A 22 -26.296 35.536 14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.998 37.779 13.672 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.567 38.341 15.232 1.00 0.00 H new ATOM 346 N MET A 23 -24.172 36.659 16.080 1.00 0.00 N ATOM 347 CA MET A 23 -22.855 36.646 16.705 1.00 0.00 C ATOM 348 C MET A 23 -21.819 35.999 15.799 1.00 0.00 C ATOM 349 O MET A 23 -22.156 35.179 14.941 1.00 0.00 O ATOM 350 CB MET A 23 -22.915 35.913 18.044 1.00 0.00 C ATOM 351 CG MET A 23 -23.826 36.563 19.076 1.00 0.00 C ATOM 352 SD MET A 23 -23.269 38.208 19.560 1.00 0.00 S ATOM 353 CE MET A 23 -21.828 37.803 20.542 1.00 0.00 C ATOM 0 H MET A 23 -24.769 35.874 16.340 1.00 0.00 H new ATOM 0 HA MET A 23 -22.554 37.679 16.876 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.253 34.892 17.870 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.908 35.849 18.455 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.836 36.630 18.672 1.00 0.00 H new ATOM 0 HG3 MET A 23 -23.878 35.927 19.960 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.906 38.283 21.517 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.769 36.723 20.673 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.931 38.156 20.034 1.00 0.00 H new ATOM 363 N PRO A 24 -20.558 36.373 15.988 1.00 0.00 N ATOM 364 CA PRO A 24 -19.468 35.826 15.184 1.00 0.00 C ATOM 365 C PRO A 24 -19.118 34.408 15.624 1.00 0.00 C ATOM 366 O PRO A 24 -19.354 34.027 16.769 1.00 0.00 O ATOM 367 CB PRO A 24 -18.311 36.803 15.412 1.00 0.00 C ATOM 368 CG PRO A 24 -18.543 37.341 16.781 1.00 0.00 C ATOM 369 CD PRO A 24 -20.038 37.427 16.931 1.00 0.00 C ATOM 0 HA PRO A 24 -19.723 35.737 14.128 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.347 36.300 15.341 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.311 37.599 14.667 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.110 36.688 17.538 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.079 38.320 16.902 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.348 37.233 17.958 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.410 38.417 16.668 1.00 0.00 H new ATOM 377 N VAL A 25 -18.549 33.633 14.704 1.00 0.00 N ATOM 378 CA VAL A 25 -18.134 32.270 15.004 1.00 0.00 C ATOM 379 C VAL A 25 -16.730 31.995 14.478 1.00 0.00 C ATOM 380 O VAL A 25 -16.451 32.187 13.294 1.00 0.00 O ATOM 381 CB VAL A 25 -19.108 31.239 14.405 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.660 29.824 14.741 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.522 31.483 14.912 1.00 0.00 C ATOM 0 H VAL A 25 -18.366 33.928 13.745 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.138 32.171 16.089 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.106 31.354 13.321 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.360 29.109 14.310 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.665 29.650 14.331 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.633 29.698 15.823 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.197 30.745 14.478 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.539 31.396 15.998 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.845 32.483 14.623 1.00 0.00 H new ATOM 393 N THR A 26 -15.849 31.546 15.368 1.00 0.00 N ATOM 394 CA THR A 26 -14.465 31.261 14.999 1.00 0.00 C ATOM 395 C THR A 26 -14.064 29.852 15.419 1.00 0.00 C ATOM 396 O THR A 26 -14.146 29.499 16.594 1.00 0.00 O ATOM 397 CB THR A 26 -13.491 32.272 15.632 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.851 33.601 15.234 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.063 31.984 15.192 1.00 0.00 C ATOM 0 H THR A 26 -16.068 31.372 16.349 1.00 0.00 H new ATOM 0 HA THR A 26 -14.405 31.345 13.914 1.00 0.00 H new ATOM 0 HB THR A 26 -13.552 32.182 16.717 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.011 33.621 14.267 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.388 32.708 15.649 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.782 30.978 15.505 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.995 32.059 14.107 1.00 0.00 H new ATOM 407 N PHE A 27 -13.627 29.055 14.454 1.00 0.00 N ATOM 408 CA PHE A 27 -13.064 27.741 14.740 1.00 0.00 C ATOM 409 C PHE A 27 -12.148 27.276 13.614 1.00 0.00 C ATOM 410 O PHE A 27 -12.165 27.837 12.517 1.00 0.00 O ATOM 411 CB PHE A 27 -14.180 26.719 14.965 1.00 0.00 C ATOM 412 CG PHE A 27 -15.105 26.564 13.793 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.222 27.375 13.660 1.00 0.00 C ATOM 414 CD2 PHE A 27 -14.862 25.606 12.820 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.075 27.233 12.583 1.00 0.00 C ATOM 416 CE2 PHE A 27 -15.713 25.462 11.740 1.00 0.00 C ATOM 417 CZ PHE A 27 -16.819 26.276 11.622 1.00 0.00 C ATOM 0 H PHE A 27 -13.651 29.296 13.463 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.470 27.824 15.650 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -13.733 25.751 15.194 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -14.761 27.016 15.838 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.427 28.127 14.408 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.997 24.965 12.907 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.942 27.871 12.493 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.511 24.712 10.989 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.484 26.165 10.779 1.00 0.00 H new ATOM 427 N THR A 28 -11.348 26.255 13.893 1.00 0.00 N ATOM 428 CA THR A 28 -10.303 25.825 12.969 1.00 0.00 C ATOM 429 C THR A 28 -10.111 24.313 13.019 1.00 0.00 C ATOM 430 O THR A 28 -10.504 23.661 13.988 1.00 0.00 O ATOM 431 CB THR A 28 -8.960 26.514 13.273 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.001 26.164 12.266 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.438 26.084 14.636 1.00 0.00 C ATOM 0 H THR A 28 -11.402 25.708 14.752 1.00 0.00 H new ATOM 0 HA THR A 28 -10.630 26.114 11.970 1.00 0.00 H new ATOM 0 HB THR A 28 -9.115 27.593 13.277 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.466 25.969 11.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.488 26.580 14.835 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.159 26.359 15.405 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.292 25.004 14.645 1.00 0.00 H new ATOM 441 N CYS A 29 -9.501 23.761 11.975 1.00 0.00 N ATOM 442 CA CYS A 29 -9.248 22.330 11.905 1.00 0.00 C ATOM 443 C CYS A 29 -7.846 22.044 11.387 1.00 0.00 C ATOM 444 O CYS A 29 -7.311 22.796 10.567 1.00 0.00 O ATOM 445 CB CYS A 29 -10.300 21.849 10.905 1.00 0.00 C ATOM 446 SG CYS A 29 -10.582 20.062 10.914 1.00 0.00 S ATOM 0 H CYS A 29 -9.173 24.286 11.165 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.309 21.837 12.875 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.242 22.354 11.117 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.995 22.151 9.903 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.977 19.532 11.935 1.00 0.00 H new ATOM 452 N ARG A 30 -7.249 20.956 11.864 1.00 0.00 N ATOM 453 CA ARG A 30 -5.869 20.630 11.535 1.00 0.00 C ATOM 454 C ARG A 30 -5.762 19.237 10.929 1.00 0.00 C ATOM 455 O ARG A 30 -6.361 18.282 11.429 1.00 0.00 O ATOM 456 CB ARG A 30 -4.943 20.792 12.731 1.00 0.00 C ATOM 457 CG ARG A 30 -3.463 20.625 12.422 1.00 0.00 C ATOM 458 CD ARG A 30 -2.563 20.887 13.574 1.00 0.00 C ATOM 459 NE ARG A 30 -2.492 22.282 13.978 1.00 0.00 N ATOM 460 CZ ARG A 30 -2.019 22.711 15.164 1.00 0.00 C ATOM 461 NH1 ARG A 30 -1.607 21.861 16.077 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 -2.000 24.012 15.394 1.00 0.00 N ATOM 0 H ARG A 30 -7.703 20.284 12.482 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.539 21.346 10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.100 21.781 13.162 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.225 20.064 13.492 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.291 19.609 12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.196 21.298 11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.899 20.292 14.424 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.560 20.544 13.321 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.824 22.985 13.317 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.642 20.858 15.893 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.252 22.204 16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.338 24.661 14.683 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.648 24.368 16.283 1.00 0.00 H new ATOM 476 N VAL A 31 -4.997 19.122 9.850 1.00 0.00 N ATOM 477 CA VAL A 31 -4.914 17.879 9.094 1.00 0.00 C ATOM 478 C VAL A 31 -3.468 17.417 8.944 1.00 0.00 C ATOM 479 O VAL A 31 -2.604 18.188 8.536 1.00 0.00 O ATOM 480 CB VAL A 31 -5.542 18.025 7.696 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.423 16.723 6.918 1.00 0.00 C ATOM 482 CG2 VAL A 31 -7.000 18.446 7.808 1.00 0.00 C ATOM 0 H VAL A 31 -4.423 19.879 9.478 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.473 17.133 9.658 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.999 18.800 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.872 16.846 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.371 16.460 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.940 15.929 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.428 18.544 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.554 17.693 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.064 19.403 8.326 1.00 0.00 H new ATOM 492 N ALA A 32 -3.219 16.156 9.285 1.00 0.00 N ATOM 493 CA ALA A 32 -1.884 15.582 9.162 1.00 0.00 C ATOM 494 C ALA A 32 -1.701 14.893 7.816 1.00 0.00 C ATOM 495 O ALA A 32 -1.530 13.678 7.749 1.00 0.00 O ATOM 496 CB ALA A 32 -1.620 14.609 10.302 1.00 0.00 C ATOM 0 H ALA A 32 -3.923 15.514 9.648 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.160 16.395 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.620 14.188 10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.694 15.135 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.356 13.806 10.273 1.00 0.00 H new ATOM 502 N GLY A 33 -1.743 15.678 6.745 1.00 0.00 N ATOM 503 CA GLY A 33 -1.639 15.138 5.394 1.00 0.00 C ATOM 504 C GLY A 33 -0.276 15.431 4.787 1.00 0.00 C ATOM 505 O GLY A 33 0.441 16.318 5.244 1.00 0.00 O ATOM 0 H GLY A 33 -1.848 16.692 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.806 14.061 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.419 15.569 4.767 1.00 0.00 H new ATOM 509 N ASN A 34 0.080 14.676 3.743 1.00 0.00 N ATOM 510 CA ASN A 34 1.344 14.882 3.042 1.00 0.00 C ATOM 511 C ASN A 34 1.260 14.382 1.619 1.00 0.00 C ATOM 512 O ASN A 34 1.229 13.177 1.367 1.00 0.00 O ATOM 513 CB ASN A 34 2.488 14.162 3.811 1.00 0.00 C ATOM 514 CG ASN A 34 3.922 14.463 3.363 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.182 14.866 2.239 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.901 14.260 4.203 1.00 0.00 N ATOM 0 H ASN A 34 -0.491 13.919 3.368 1.00 0.00 H new ATOM 0 HA ASN A 34 1.556 15.950 3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.401 14.420 4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.326 13.087 3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.864 14.438 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.703 13.924 5.145 1.00 0.00 H new ATOM 523 N PRO A 35 1.249 15.316 0.673 1.00 0.00 N ATOM 524 CA PRO A 35 1.511 16.716 0.978 1.00 0.00 C ATOM 525 C PRO A 35 0.320 17.362 1.674 1.00 0.00 C ATOM 526 O PRO A 35 -0.783 16.818 1.669 1.00 0.00 O ATOM 527 CB PRO A 35 1.794 17.351 -0.388 1.00 0.00 C ATOM 528 CG PRO A 35 2.092 16.194 -1.279 1.00 0.00 C ATOM 529 CD PRO A 35 1.249 15.061 -0.759 1.00 0.00 C ATOM 0 HA PRO A 35 2.344 16.848 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.936 17.919 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.636 18.042 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.846 16.423 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.152 15.940 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.242 15.077 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.679 14.089 -1.000 1.00 0.00 H new ATOM 537 N LYS A 36 0.556 18.524 2.278 1.00 0.00 N ATOM 538 CA LYS A 36 -0.500 19.243 2.985 1.00 0.00 C ATOM 539 C LYS A 36 -1.702 19.481 2.078 1.00 0.00 C ATOM 540 O LYS A 36 -1.601 20.177 1.069 1.00 0.00 O ATOM 541 CB LYS A 36 0.025 20.574 3.524 1.00 0.00 C ATOM 542 CG LYS A 36 1.232 20.447 4.446 1.00 0.00 C ATOM 543 CD LYS A 36 0.843 19.843 5.787 1.00 0.00 C ATOM 544 CE LYS A 36 2.070 19.509 6.622 1.00 0.00 C ATOM 545 NZ LYS A 36 1.726 19.275 8.050 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.465 18.986 2.292 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.821 18.626 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.292 21.213 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.778 21.076 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.991 19.825 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.677 21.429 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.209 20.542 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.255 18.940 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.554 18.621 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.789 20.325 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.563 18.920 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.414 20.168 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.960 18.574 8.112 1.00 0.00 H new ATOM 559 N PRO A 37 -2.839 18.901 2.448 1.00 0.00 N ATOM 560 CA PRO A 37 -4.053 19.020 1.649 1.00 0.00 C ATOM 561 C PRO A 37 -4.483 20.475 1.512 1.00 0.00 C ATOM 562 O PRO A 37 -4.175 21.307 2.364 1.00 0.00 O ATOM 563 CB PRO A 37 -5.086 18.183 2.409 1.00 0.00 C ATOM 564 CG PRO A 37 -4.268 17.226 3.210 1.00 0.00 C ATOM 565 CD PRO A 37 -3.027 17.985 3.599 1.00 0.00 C ATOM 0 HA PRO A 37 -3.920 18.669 0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.709 18.807 3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.755 17.660 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.812 16.886 4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.019 16.339 2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.160 18.530 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.172 17.323 3.735 1.00 0.00 H new ATOM 573 N LYS A 38 -5.198 20.776 0.429 1.00 0.00 N ATOM 574 CA LYS A 38 -5.747 22.109 0.225 1.00 0.00 C ATOM 575 C LYS A 38 -7.122 22.246 0.870 1.00 0.00 C ATOM 576 O LYS A 38 -8.136 22.337 0.179 1.00 0.00 O ATOM 577 CB LYS A 38 -5.830 22.429 -1.268 1.00 0.00 C ATOM 578 CG LYS A 38 -4.484 22.476 -1.978 1.00 0.00 C ATOM 579 CD LYS A 38 -4.648 22.787 -3.458 1.00 0.00 C ATOM 580 CE LYS A 38 -3.301 22.908 -4.153 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.447 23.177 -5.609 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.409 20.114 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.077 22.823 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.457 21.681 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.327 23.391 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.852 23.233 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.975 21.519 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.235 22.001 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.205 23.717 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.726 23.711 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.735 21.988 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.505 23.252 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.973 22.399 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.964 24.068 -5.747 1.00 0.00 H new ATOM 595 N ILE A 39 -7.148 22.256 2.199 1.00 0.00 N ATOM 596 CA ILE A 39 -8.402 22.226 2.943 1.00 0.00 C ATOM 597 C ILE A 39 -9.427 23.170 2.328 1.00 0.00 C ATOM 598 O ILE A 39 -9.198 24.376 2.234 1.00 0.00 O ATOM 599 CB ILE A 39 -8.191 22.603 4.421 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.383 21.520 5.138 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.530 22.817 5.111 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.927 21.914 6.525 1.00 0.00 C ATOM 0 H ILE A 39 -6.313 22.285 2.784 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.776 21.204 2.890 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.629 23.536 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.988 20.616 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.509 21.273 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.363 23.083 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.071 23.622 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.117 21.900 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.361 21.095 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.295 22.800 6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.796 22.132 7.146 1.00 0.00 H new ATOM 614 N TYR A 40 -10.562 22.615 1.913 1.00 0.00 N ATOM 615 CA TYR A 40 -11.666 23.418 1.403 1.00 0.00 C ATOM 616 C TYR A 40 -12.835 23.432 2.381 1.00 0.00 C ATOM 617 O TYR A 40 -13.040 22.478 3.129 1.00 0.00 O ATOM 618 CB TYR A 40 -12.127 22.890 0.042 1.00 0.00 C ATOM 619 CG TYR A 40 -11.058 22.935 -1.027 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.617 24.145 -1.542 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.494 21.766 -1.519 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.641 24.191 -2.518 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.517 21.801 -2.495 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.093 23.017 -2.993 1.00 0.00 C ATOM 625 OH TYR A 40 -8.121 23.058 -3.966 1.00 0.00 O ATOM 0 H TYR A 40 -10.740 21.611 1.920 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.308 24.441 1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.467 21.861 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.985 23.474 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.044 25.066 -1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.824 20.813 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.308 25.142 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.087 20.882 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.841 22.145 -4.188 1.00 0.00 H new ATOM 635 N TRP A 41 -13.597 24.519 2.368 1.00 0.00 N ATOM 636 CA TRP A 41 -14.831 24.599 3.142 1.00 0.00 C ATOM 637 C TRP A 41 -16.043 24.736 2.234 1.00 0.00 C ATOM 638 O TRP A 41 -15.991 25.411 1.205 1.00 0.00 O ATOM 639 CB TRP A 41 -14.769 25.779 4.118 1.00 0.00 C ATOM 640 CG TRP A 41 -13.749 25.604 5.202 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.436 25.964 5.151 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.957 25.032 6.498 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.815 25.650 6.331 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.728 25.076 7.180 1.00 0.00 C ATOM 645 CE3 TRP A 41 -15.070 24.483 7.149 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.574 24.598 8.472 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.916 24.006 8.445 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.704 24.060 9.087 1.00 0.00 C ATOM 0 H TRP A 41 -13.382 25.358 1.830 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.934 23.672 3.707 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.544 26.689 3.562 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.750 25.917 4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.955 26.429 4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.832 25.816 6.544 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -16.028 24.432 6.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.622 24.640 8.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.768 23.584 8.958 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.624 23.676 10.093 1.00 0.00 H new ATOM 659 N PHE A 42 -17.139 24.088 2.618 1.00 0.00 N ATOM 660 CA PHE A 42 -18.426 24.302 1.962 1.00 0.00 C ATOM 661 C PHE A 42 -19.580 24.067 2.926 1.00 0.00 C ATOM 662 O PHE A 42 -19.503 23.208 3.807 1.00 0.00 O ATOM 663 CB PHE A 42 -18.564 23.385 0.744 1.00 0.00 C ATOM 664 CG PHE A 42 -18.409 21.926 1.063 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.151 21.346 1.132 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.521 21.130 1.294 1.00 0.00 C ATOM 667 CE1 PHE A 42 -17.008 20.003 1.424 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.379 19.787 1.589 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.123 19.224 1.653 1.00 0.00 C ATOM 0 H PHE A 42 -17.162 23.410 3.380 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.464 25.340 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.541 23.546 0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.816 23.667 0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.274 21.951 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.509 21.564 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.023 19.563 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.253 19.179 1.769 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.012 18.174 1.882 1.00 0.00 H new ATOM 679 N LYS A 43 -20.650 24.836 2.758 1.00 0.00 N ATOM 680 CA LYS A 43 -21.759 24.825 3.704 1.00 0.00 C ATOM 681 C LYS A 43 -22.997 24.183 3.094 1.00 0.00 C ATOM 682 O LYS A 43 -23.623 24.747 2.197 1.00 0.00 O ATOM 683 CB LYS A 43 -22.078 26.247 4.171 1.00 0.00 C ATOM 684 CG LYS A 43 -23.012 26.318 5.370 1.00 0.00 C ATOM 685 CD LYS A 43 -24.465 26.459 4.938 1.00 0.00 C ATOM 686 CE LYS A 43 -25.361 26.828 6.110 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.797 26.565 5.818 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.773 25.476 1.973 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.457 24.229 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.145 26.752 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.526 26.797 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.897 25.419 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.735 27.164 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.543 27.223 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.807 25.523 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.060 26.259 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.227 27.883 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.353 26.667 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.137 27.245 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.905 25.598 5.450 1.00 0.00 H new ATOM 701 N ASP A 44 -23.347 22.998 3.586 1.00 0.00 N ATOM 702 CA ASP A 44 -24.469 22.243 3.037 1.00 0.00 C ATOM 703 C ASP A 44 -24.320 22.050 1.532 1.00 0.00 C ATOM 704 O ASP A 44 -25.309 22.020 0.801 1.00 0.00 O ATOM 705 CB ASP A 44 -25.793 22.943 3.350 1.00 0.00 C ATOM 706 CG ASP A 44 -26.178 22.935 4.822 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.538 22.244 5.579 1.00 0.00 O ATOM 708 OD2 ASP A 44 -27.001 23.730 5.204 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.870 22.540 4.363 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.470 21.260 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.733 23.976 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.587 22.464 2.777 1.00 0.00 H new ATOM 713 N GLY A 45 -23.079 21.922 1.078 1.00 0.00 N ATOM 714 CA GLY A 45 -22.801 21.661 -0.328 1.00 0.00 C ATOM 715 C GLY A 45 -22.473 22.952 -1.073 1.00 0.00 C ATOM 716 O GLY A 45 -22.178 22.932 -2.267 1.00 0.00 O ATOM 0 H GLY A 45 -22.248 21.995 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.966 20.966 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.664 21.181 -0.789 1.00 0.00 H new ATOM 720 N LYS A 46 -22.527 24.069 -0.358 1.00 0.00 N ATOM 721 CA LYS A 46 -22.275 25.374 -0.957 1.00 0.00 C ATOM 722 C LYS A 46 -20.821 25.794 -0.773 1.00 0.00 C ATOM 723 O LYS A 46 -20.431 26.269 0.294 1.00 0.00 O ATOM 724 CB LYS A 46 -23.209 26.427 -0.357 1.00 0.00 C ATOM 725 CG LYS A 46 -24.690 26.160 -0.588 1.00 0.00 C ATOM 726 CD LYS A 46 -25.555 27.194 0.118 1.00 0.00 C ATOM 727 CE LYS A 46 -27.034 26.954 -0.149 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.885 28.029 0.430 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.743 24.097 0.638 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.472 25.295 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.026 26.488 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.958 27.400 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.902 26.174 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.943 25.163 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.366 27.157 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.280 28.193 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.204 26.896 -1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.327 25.992 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.885 27.828 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.743 28.068 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.623 28.943 0.010 1.00 0.00 H new ATOM 742 N GLN A 47 -20.021 25.617 -1.820 1.00 0.00 N ATOM 743 CA GLN A 47 -18.603 25.947 -1.767 1.00 0.00 C ATOM 744 C GLN A 47 -18.384 27.358 -1.245 1.00 0.00 C ATOM 745 O GLN A 47 -18.981 28.315 -1.745 1.00 0.00 O ATOM 746 CB GLN A 47 -17.968 25.806 -3.153 1.00 0.00 C ATOM 747 CG GLN A 47 -16.465 26.024 -3.174 1.00 0.00 C ATOM 748 CD GLN A 47 -15.873 25.844 -4.559 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.598 25.648 -5.539 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.549 25.902 -4.648 1.00 0.00 N ATOM 0 H GLN A 47 -20.333 25.246 -2.717 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.127 25.247 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.185 24.810 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.437 26.520 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.241 27.028 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.990 25.325 -2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.988 26.066 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.093 25.782 -5.553 1.00 0.00 H new ATOM 759 N ILE A 48 -17.531 27.488 -0.236 1.00 0.00 N ATOM 760 CA ILE A 48 -17.248 28.780 0.372 1.00 0.00 C ATOM 761 C ILE A 48 -15.974 29.392 -0.199 1.00 0.00 C ATOM 762 O ILE A 48 -14.911 28.773 -0.168 1.00 0.00 O ATOM 763 CB ILE A 48 -17.112 28.666 1.901 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.426 28.181 2.519 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.701 30.002 2.499 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.313 27.809 3.980 1.00 0.00 C ATOM 0 H ILE A 48 -17.021 26.709 0.180 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.093 29.428 0.139 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.335 27.935 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.178 28.962 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.782 27.316 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.609 29.904 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.743 30.309 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.456 30.753 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.284 27.475 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.586 27.005 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.988 28.678 4.553 1.00 0.00 H new ATOM 778 N SER A 49 -16.087 30.612 -0.708 1.00 0.00 N ATOM 779 CA SER A 49 -14.920 31.359 -1.166 1.00 0.00 C ATOM 780 C SER A 49 -14.249 32.095 -0.013 1.00 0.00 C ATOM 781 O SER A 49 -14.908 32.795 0.758 1.00 0.00 O ATOM 782 CB SER A 49 -15.321 32.338 -2.253 1.00 0.00 C ATOM 783 OG SER A 49 -14.255 33.159 -2.642 1.00 0.00 O ATOM 0 H SER A 49 -16.973 31.106 -0.815 1.00 0.00 H new ATOM 0 HA SER A 49 -14.201 30.648 -1.574 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.688 31.787 -3.119 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.144 32.958 -1.897 1.00 0.00 H new ATOM 0 HG SER A 49 -14.555 33.773 -3.344 1.00 0.00 H new ATOM 789 N PRO A 50 -12.935 31.930 0.102 1.00 0.00 N ATOM 790 CA PRO A 50 -12.168 32.608 1.138 1.00 0.00 C ATOM 791 C PRO A 50 -12.401 34.116 1.098 1.00 0.00 C ATOM 792 O PRO A 50 -12.436 34.719 0.025 1.00 0.00 O ATOM 793 CB PRO A 50 -10.714 32.239 0.825 1.00 0.00 C ATOM 794 CG PRO A 50 -10.807 30.944 0.096 1.00 0.00 C ATOM 795 CD PRO A 50 -12.065 31.038 -0.727 1.00 0.00 C ATOM 0 HA PRO A 50 -12.456 32.307 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.233 33.004 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.125 32.140 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.934 30.786 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.853 30.105 0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.873 31.462 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.520 30.060 -0.884 1.00 0.00 H new ATOM 803 N LYS A 51 -12.555 34.716 2.274 1.00 0.00 N ATOM 804 CA LYS A 51 -12.755 36.156 2.376 1.00 0.00 C ATOM 805 C LYS A 51 -14.000 36.596 1.620 1.00 0.00 C ATOM 806 O LYS A 51 -13.931 37.445 0.727 1.00 0.00 O ATOM 807 CB LYS A 51 -11.529 36.906 1.851 1.00 0.00 C ATOM 808 CG LYS A 51 -10.244 36.627 2.621 1.00 0.00 C ATOM 809 CD LYS A 51 -9.078 37.427 2.059 1.00 0.00 C ATOM 810 CE LYS A 51 -7.799 37.163 2.838 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.633 37.882 2.255 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.545 34.227 3.169 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.894 36.398 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.376 36.641 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.732 37.976 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.386 36.877 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.013 35.563 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.928 37.167 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.314 38.491 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.935 37.473 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.596 36.092 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.782 37.675 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.487 37.568 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.815 38.906 2.267 1.00 0.00 H new ATOM 825 N SER A 52 -15.140 36.016 1.979 1.00 0.00 N ATOM 826 CA SER A 52 -16.408 36.374 1.357 1.00 0.00 C ATOM 827 C SER A 52 -17.146 37.426 2.174 1.00 0.00 C ATOM 828 O SER A 52 -16.548 38.110 3.008 1.00 0.00 O ATOM 829 CB SER A 52 -17.271 35.140 1.183 1.00 0.00 C ATOM 830 OG SER A 52 -18.400 35.393 0.392 1.00 0.00 O ATOM 0 H SER A 52 -15.211 35.296 2.698 1.00 0.00 H new ATOM 0 HA SER A 52 -16.196 36.800 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.680 34.346 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.588 34.779 2.161 1.00 0.00 H new ATOM 0 HG SER A 52 -18.928 34.572 0.303 1.00 0.00 H new ATOM 836 N ASP A 53 -18.445 37.556 1.930 1.00 0.00 N ATOM 837 CA ASP A 53 -19.259 38.553 2.615 1.00 0.00 C ATOM 838 C ASP A 53 -19.150 38.407 4.130 1.00 0.00 C ATOM 839 O ASP A 53 -18.998 39.388 4.850 1.00 0.00 O ATOM 840 CB ASP A 53 -20.721 38.443 2.179 1.00 0.00 C ATOM 841 CG ASP A 53 -20.994 38.939 0.766 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.133 39.572 0.202 1.00 0.00 O ATOM 843 OD2 ASP A 53 -21.991 38.553 0.205 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.958 36.982 1.261 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.882 39.538 2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.032 37.401 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.339 39.009 2.876 1.00 0.00 H new ATOM 848 N HIS A 54 -19.239 37.167 4.604 1.00 0.00 N ATOM 849 CA HIS A 54 -19.154 36.887 6.033 1.00 0.00 C ATOM 850 C HIS A 54 -18.272 35.679 6.305 1.00 0.00 C ATOM 851 O HIS A 54 -18.000 35.342 7.459 1.00 0.00 O ATOM 852 CB HIS A 54 -20.549 36.659 6.624 1.00 0.00 C ATOM 853 CG HIS A 54 -21.446 37.854 6.528 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.304 38.957 7.342 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.495 38.118 5.714 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.230 39.849 7.033 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.964 39.364 6.050 1.00 0.00 N ATOM 0 H HIS A 54 -19.370 36.341 4.019 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.704 37.756 6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.019 35.821 6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.448 36.375 7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.889 37.470 4.945 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.363 40.811 7.505 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.753 39.838 5.610 1.00 0.00 H new ATOM 865 N TYR A 55 -17.824 35.024 5.239 1.00 0.00 N ATOM 866 CA TYR A 55 -17.097 33.764 5.361 1.00 0.00 C ATOM 867 C TYR A 55 -15.617 33.952 5.058 1.00 0.00 C ATOM 868 O TYR A 55 -15.200 33.920 3.899 1.00 0.00 O ATOM 869 CB TYR A 55 -17.695 32.707 4.428 1.00 0.00 C ATOM 870 CG TYR A 55 -19.101 32.290 4.795 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.601 32.512 6.070 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.928 31.678 3.865 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.885 32.131 6.410 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.212 31.296 4.191 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.689 31.524 5.466 1.00 0.00 C ATOM 876 OH TYR A 55 -22.970 31.146 5.798 1.00 0.00 O ATOM 0 H TYR A 55 -17.952 35.345 4.279 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.194 33.422 6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.696 33.095 3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -17.052 31.827 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.976 32.991 6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.559 31.497 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.257 32.307 7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.841 30.821 3.453 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.950 30.607 6.616 1.00 0.00 H new ATOM 886 N THR A 56 -14.824 34.149 6.107 1.00 0.00 N ATOM 887 CA THR A 56 -13.388 34.347 5.957 1.00 0.00 C ATOM 888 C THR A 56 -12.628 33.046 6.191 1.00 0.00 C ATOM 889 O THR A 56 -12.772 32.411 7.236 1.00 0.00 O ATOM 890 CB THR A 56 -12.860 35.420 6.927 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.501 36.673 6.653 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.355 35.581 6.777 1.00 0.00 C ATOM 0 H THR A 56 -15.154 34.176 7.072 1.00 0.00 H new ATOM 0 HA THR A 56 -13.222 34.684 4.934 1.00 0.00 H new ATOM 0 HB THR A 56 -13.081 35.106 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.165 37.354 7.272 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.000 36.343 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.864 34.633 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.121 35.882 5.756 1.00 0.00 H new ATOM 900 N ILE A 57 -11.815 32.657 5.216 1.00 0.00 N ATOM 901 CA ILE A 57 -11.016 31.441 5.322 1.00 0.00 C ATOM 902 C ILE A 57 -9.529 31.762 5.351 1.00 0.00 C ATOM 903 O ILE A 57 -9.035 32.544 4.535 1.00 0.00 O ATOM 904 CB ILE A 57 -11.300 30.474 4.158 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.765 30.030 4.178 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.374 29.269 4.230 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.178 29.236 2.960 1.00 0.00 C ATOM 0 H ILE A 57 -11.691 33.167 4.341 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.299 30.960 6.258 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.112 30.996 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.940 29.428 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.401 30.911 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.588 28.596 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.338 29.602 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.532 28.745 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.228 28.957 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.036 29.842 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.568 28.335 2.889 1.00 0.00 H new ATOM 919 N GLN A 58 -8.815 31.158 6.297 1.00 0.00 N ATOM 920 CA GLN A 58 -7.370 31.331 6.392 1.00 0.00 C ATOM 921 C GLN A 58 -6.657 29.987 6.462 1.00 0.00 C ATOM 922 O GLN A 58 -6.750 29.277 7.463 1.00 0.00 O ATOM 923 CB GLN A 58 -7.010 32.172 7.620 1.00 0.00 C ATOM 924 CG GLN A 58 -5.517 32.338 7.843 1.00 0.00 C ATOM 925 CD GLN A 58 -4.858 33.163 6.754 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.305 34.269 6.437 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.791 32.628 6.171 1.00 0.00 N ATOM 0 H GLN A 58 -9.214 30.545 7.008 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.040 31.850 5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.463 33.158 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.449 31.710 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.347 32.814 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.047 31.355 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.456 31.711 6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.307 33.135 5.430 1.00 0.00 H new ATOM 936 N ARG A 59 -5.946 29.642 5.394 1.00 0.00 N ATOM 937 CA ARG A 59 -5.298 28.344 5.290 1.00 0.00 C ATOM 938 C ARG A 59 -3.810 28.444 5.596 1.00 0.00 C ATOM 939 O ARG A 59 -3.018 28.843 4.740 1.00 0.00 O ATOM 940 CB ARG A 59 -5.546 27.686 3.939 1.00 0.00 C ATOM 941 CG ARG A 59 -5.132 26.227 3.853 1.00 0.00 C ATOM 942 CD ARG A 59 -5.290 25.624 2.505 1.00 0.00 C ATOM 943 NE ARG A 59 -6.641 25.689 1.971 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.038 26.527 0.993 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.204 27.397 0.468 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.296 26.468 0.593 1.00 0.00 N ATOM 0 H ARG A 59 -5.805 30.248 4.586 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.750 27.699 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.608 27.762 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.009 28.247 3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.089 26.139 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.722 25.652 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.615 26.128 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.980 24.580 2.549 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.337 25.056 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.241 27.445 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.520 28.024 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.937 25.801 1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.626 27.090 -0.145 1.00 0.00 H new ATOM 960 N ASP A 60 -3.432 28.078 6.814 1.00 0.00 N ATOM 961 CA ASP A 60 -2.026 27.936 7.173 1.00 0.00 C ATOM 962 C ASP A 60 -1.411 26.707 6.515 1.00 0.00 C ATOM 963 O ASP A 60 -1.902 25.591 6.678 1.00 0.00 O ATOM 964 CB ASP A 60 -1.866 27.852 8.694 1.00 0.00 C ATOM 965 CG ASP A 60 -0.422 27.819 9.173 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.456 27.716 8.348 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.198 28.055 10.336 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.082 27.873 7.573 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.499 28.818 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.367 28.707 9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.375 26.957 9.052 1.00 0.00 H new ATOM 972 N LEU A 61 -0.333 26.921 5.767 1.00 0.00 N ATOM 973 CA LEU A 61 0.244 25.872 4.935 1.00 0.00 C ATOM 974 C LEU A 61 0.977 24.838 5.779 1.00 0.00 C ATOM 975 O LEU A 61 1.490 23.848 5.257 1.00 0.00 O ATOM 976 CB LEU A 61 1.193 26.482 3.896 1.00 0.00 C ATOM 977 CG LEU A 61 0.531 27.420 2.878 1.00 0.00 C ATOM 978 CD1 LEU A 61 1.585 28.018 1.957 1.00 0.00 C ATOM 979 CD2 LEU A 61 -0.509 26.650 2.079 1.00 0.00 C ATOM 0 H LEU A 61 0.159 27.813 5.720 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.571 25.365 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.974 27.033 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.683 25.672 3.355 1.00 0.00 H new ATOM 0 HG LEU A 61 0.035 28.236 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.105 28.682 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.306 28.583 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.099 27.218 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.979 27.317 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.027 25.826 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.268 26.255 2.755 1.00 0.00 H new ATOM 991 N ASP A 62 1.024 25.073 7.084 1.00 0.00 N ATOM 992 CA ASP A 62 1.575 24.102 8.020 1.00 0.00 C ATOM 993 C ASP A 62 0.611 22.942 8.239 1.00 0.00 C ATOM 994 O ASP A 62 0.967 21.931 8.849 1.00 0.00 O ATOM 995 CB ASP A 62 1.905 24.773 9.356 1.00 0.00 C ATOM 996 CG ASP A 62 3.137 25.668 9.322 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.887 25.578 8.380 1.00 0.00 O ATOM 998 OD2 ASP A 62 3.236 26.539 10.153 1.00 0.00 O1- ATOM 0 H ASP A 62 0.686 25.931 7.519 1.00 0.00 H new ATOM 0 HA ASP A 62 2.494 23.705 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.048 25.367 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.053 24.000 10.110 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.612 23.093 7.741 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.589 22.012 7.771 1.00 0.00 C ATOM 1005 C GLY A 63 -2.782 22.376 8.644 1.00 0.00 C ATOM 1006 O GLY A 63 -3.442 21.501 9.206 1.00 0.00 O ATOM 0 H GLY A 63 -0.950 23.954 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.928 21.796 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.120 21.104 8.151 1.00 0.00 H new ATOM 1010 N THR A 64 -3.058 23.669 8.757 1.00 0.00 N ATOM 1011 CA THR A 64 -4.176 24.153 9.560 1.00 0.00 C ATOM 1012 C THR A 64 -4.966 25.225 8.819 1.00 0.00 C ATOM 1013 O THR A 64 -4.386 26.130 8.221 1.00 0.00 O ATOM 1014 CB THR A 64 -3.698 24.725 10.909 1.00 0.00 C ATOM 1015 OG1 THR A 64 -2.932 23.734 11.605 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.886 25.136 11.764 1.00 0.00 C ATOM 0 H THR A 64 -2.520 24.406 8.300 1.00 0.00 H new ATOM 0 HA THR A 64 -4.821 23.294 9.746 1.00 0.00 H new ATOM 0 HB THR A 64 -3.081 25.603 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.163 24.160 12.038 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.530 25.538 12.713 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.464 25.898 11.241 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.517 24.267 11.952 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.288 25.114 8.863 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.158 26.076 8.197 1.00 0.00 C ATOM 1026 C CYS A 65 -8.300 26.509 9.111 1.00 0.00 C ATOM 1027 O CYS A 65 -9.012 25.670 9.669 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.692 25.281 7.006 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.687 26.248 5.846 1.00 0.00 S ATOM 0 H CYS A 65 -6.781 24.368 9.353 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.644 26.995 7.913 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.850 24.846 6.468 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.294 24.452 7.379 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.910 25.545 4.775 1.00 0.00 H new ATOM 1035 N SER A 66 -8.468 27.817 9.262 1.00 0.00 N ATOM 1036 CA SER A 66 -9.497 28.359 10.139 1.00 0.00 C ATOM 1037 C SER A 66 -10.653 28.944 9.338 1.00 0.00 C ATOM 1038 O SER A 66 -10.452 29.544 8.281 1.00 0.00 O ATOM 1039 CB SER A 66 -8.902 29.412 11.053 1.00 0.00 C ATOM 1040 OG SER A 66 -9.880 30.055 11.824 1.00 0.00 O ATOM 0 H SER A 66 -7.904 28.522 8.788 1.00 0.00 H new ATOM 0 HA SER A 66 -9.890 27.543 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.169 28.947 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.369 30.151 10.455 1.00 0.00 H new ATOM 0 HG SER A 66 -10.580 29.413 12.065 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.867 28.766 9.845 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.047 29.385 9.248 1.00 0.00 C ATOM 1048 C LEU A 67 -13.705 30.361 10.213 1.00 0.00 C ATOM 1049 O LEU A 67 -14.062 29.994 11.333 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.050 28.309 8.814 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.374 28.841 8.251 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.125 29.588 6.948 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.336 27.681 8.032 1.00 0.00 C ATOM 0 H LEU A 67 -12.062 28.198 10.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.726 29.945 8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.579 27.679 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.268 27.671 9.671 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.819 29.536 8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.071 29.962 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.452 30.426 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.673 28.912 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.277 28.059 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.899 26.975 7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.521 27.178 8.981 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.859 31.607 9.774 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.484 32.635 10.596 1.00 0.00 C ATOM 1067 C HIS A 68 -15.763 33.159 9.950 1.00 0.00 C ATOM 1068 O HIS A 68 -15.741 33.654 8.824 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.511 33.791 10.843 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.122 34.946 11.575 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.512 34.867 12.895 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.412 36.205 11.172 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.014 36.030 13.273 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -14.965 36.857 12.246 1.00 0.00 N ATOM 0 H HIS A 68 -13.559 31.928 8.853 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.746 32.181 11.552 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.658 33.421 11.413 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.127 34.142 9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.240 36.619 10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.399 36.263 14.255 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.286 37.825 12.250 1.00 0.00 H new ATOM 1082 N THR A 69 -16.872 33.045 10.670 1.00 0.00 N ATOM 1083 CA THR A 69 -18.126 33.661 10.251 1.00 0.00 C ATOM 1084 C THR A 69 -18.362 34.975 10.980 1.00 0.00 C ATOM 1085 O THR A 69 -18.446 35.012 12.206 1.00 0.00 O ATOM 1086 CB THR A 69 -19.326 32.728 10.497 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.155 31.517 9.749 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.622 33.403 10.073 1.00 0.00 C ATOM 0 H THR A 69 -16.929 32.531 11.549 1.00 0.00 H new ATOM 0 HA THR A 69 -18.040 33.851 9.181 1.00 0.00 H new ATOM 0 HB THR A 69 -19.378 32.501 11.562 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.919 30.924 9.908 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.459 32.729 10.254 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.761 34.318 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.575 33.646 9.012 1.00 0.00 H new ATOM 1096 N THR A 70 -18.466 36.059 10.217 1.00 0.00 N ATOM 1097 CA THR A 70 -18.599 37.394 10.792 1.00 0.00 C ATOM 1098 C THR A 70 -19.905 37.534 11.562 1.00 0.00 C ATOM 1099 O THR A 70 -19.924 38.060 12.677 1.00 0.00 O ATOM 1100 CB THR A 70 -18.536 38.486 9.709 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.254 38.455 9.069 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.760 39.860 10.322 1.00 0.00 C ATOM 0 H THR A 70 -18.461 36.039 9.197 1.00 0.00 H new ATOM 0 HA THR A 70 -17.760 37.525 11.476 1.00 0.00 H new ATOM 0 HB THR A 70 -19.320 38.295 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.216 39.150 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.712 40.619 9.541 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.740 39.891 10.798 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.989 40.056 11.067 1.00 0.00 H new ATOM 1110 N ALA A 71 -20.991 37.061 10.966 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.316 37.200 11.563 1.00 0.00 C ATOM 1112 C ALA A 71 -23.184 35.987 11.267 1.00 0.00 C ATOM 1113 O ALA A 71 -23.920 35.963 10.280 1.00 0.00 O ATOM 1114 CB ALA A 71 -22.988 38.470 11.064 1.00 0.00 C ATOM 0 H ALA A 71 -20.982 36.577 10.068 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.194 37.267 12.644 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -23.975 38.561 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.382 39.334 11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.089 38.426 9.980 1.00 0.00 H new ATOM 1120 N SER A 72 -23.096 34.976 12.127 1.00 0.00 N ATOM 1121 CA SER A 72 -23.826 33.731 11.928 1.00 0.00 C ATOM 1122 C SER A 72 -25.295 33.890 12.301 1.00 0.00 C ATOM 1123 O SER A 72 -25.637 34.011 13.476 1.00 0.00 O ATOM 1124 CB SER A 72 -23.191 32.618 12.739 1.00 0.00 C ATOM 1125 OG SER A 72 -23.873 31.403 12.590 1.00 0.00 O ATOM 0 H SER A 72 -22.524 34.997 12.971 1.00 0.00 H new ATOM 0 HA SER A 72 -23.775 33.471 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.153 32.491 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.178 32.899 13.792 1.00 0.00 H new ATOM 0 HG SER A 72 -23.397 30.838 11.946 1.00 0.00 H new ATOM 1131 N THR A 73 -26.162 33.889 11.291 1.00 0.00 N ATOM 1132 CA THR A 73 -27.594 34.031 11.512 1.00 0.00 C ATOM 1133 C THR A 73 -28.330 32.730 11.206 1.00 0.00 C ATOM 1134 O THR A 73 -27.714 31.727 10.860 1.00 0.00 O ATOM 1135 CB THR A 73 -28.187 35.163 10.653 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.085 34.815 9.265 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.445 36.466 10.901 1.00 0.00 C ATOM 0 H THR A 73 -25.895 33.791 10.312 1.00 0.00 H new ATOM 0 HA THR A 73 -27.728 34.280 12.565 1.00 0.00 H new ATOM 0 HB THR A 73 -29.234 35.296 10.926 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.153 34.605 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.878 37.254 10.285 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.530 36.739 11.953 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.393 36.341 10.643 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.652 32.765 11.341 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.470 31.577 11.121 1.00 0.00 C ATOM 1147 C LEU A 74 -30.348 31.076 9.688 1.00 0.00 C ATOM 1148 O LEU A 74 -30.507 29.887 9.418 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.937 31.874 11.457 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.224 32.155 12.938 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.674 32.582 13.117 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.924 30.908 13.758 1.00 0.00 C ATOM 0 H LEU A 74 -30.178 33.599 11.601 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.105 30.791 11.782 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.260 32.734 10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.544 31.026 11.140 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.585 32.967 13.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.868 32.779 14.171 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.861 33.487 12.538 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.333 31.786 12.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.128 31.107 14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.554 30.087 13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.875 30.636 13.636 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.062 31.991 8.769 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.833 31.634 7.376 1.00 0.00 C ATOM 1166 C ASP A 75 -28.446 31.029 7.186 1.00 0.00 C ATOM 1167 O ASP A 75 -28.176 30.380 6.174 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.003 32.857 6.473 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.444 33.325 6.312 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.331 32.587 6.672 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.642 34.469 5.981 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.983 32.989 8.966 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.574 30.885 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.410 33.677 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.597 32.626 5.488 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.573 31.248 8.162 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.220 30.699 8.115 1.00 0.00 C ATOM 1178 C ASP A 76 -26.134 29.379 8.871 1.00 0.00 C ATOM 1179 O ASP A 76 -25.177 28.621 8.708 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.219 31.701 8.693 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.134 33.017 7.930 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.921 32.978 6.740 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.439 34.035 8.503 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.776 31.801 8.995 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.972 30.510 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.490 31.912 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.231 31.241 8.710 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.137 29.110 9.698 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.229 27.831 10.396 1.00 0.00 C ATOM 1190 C ASP A 77 -27.187 26.665 9.421 1.00 0.00 C ATOM 1191 O ASP A 77 -27.945 26.624 8.450 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.512 27.771 11.234 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.652 26.512 12.078 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.984 25.549 11.788 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.302 26.572 13.095 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.897 29.758 9.902 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.367 27.750 11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.543 28.640 11.891 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.371 27.844 10.567 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.296 25.715 9.680 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.146 24.545 8.823 1.00 0.00 C ATOM 1202 C GLY A 78 -24.804 23.865 9.047 1.00 0.00 C ATOM 1203 O GLY A 78 -24.127 24.116 10.043 1.00 0.00 O ATOM 0 H GLY A 78 -25.664 25.733 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.952 23.839 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.235 24.843 7.778 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.419 23.003 8.113 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.220 22.190 8.266 1.00 0.00 C ATOM 1209 C ASN A 79 -22.085 22.711 7.394 1.00 0.00 C ATOM 1210 O ASN A 79 -22.112 22.570 6.172 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.495 20.730 7.951 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.540 20.107 8.836 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.388 20.048 10.062 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.557 19.567 8.215 1.00 0.00 N ATOM 0 H ASN A 79 -24.922 22.849 7.239 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.914 22.262 9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.814 20.645 6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.567 20.166 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.272 19.068 8.745 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.635 19.645 7.201 1.00 0.00 H new ATOM 1221 N TYR A 80 -21.086 23.315 8.031 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.921 23.827 7.317 1.00 0.00 C ATOM 1223 C TYR A 80 -18.884 22.736 7.101 1.00 0.00 C ATOM 1224 O TYR A 80 -17.823 22.740 7.723 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.299 24.999 8.084 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.169 26.235 8.130 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.274 26.297 8.969 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.883 27.336 7.335 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -22.070 27.423 9.017 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.676 28.469 7.373 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.770 28.508 8.216 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.561 29.632 8.259 1.00 0.00 O ATOM 0 H TYR A 80 -21.060 23.462 9.040 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.255 24.177 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.085 24.680 9.104 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.345 25.256 7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.514 25.450 9.594 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -19.028 27.308 6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.924 27.456 9.678 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.441 29.318 6.748 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.496 29.369 8.388 1.00 0.00 H new ATOM 1242 N THR A 81 -19.197 21.796 6.213 1.00 0.00 N ATOM 1243 CA THR A 81 -18.383 20.598 6.045 1.00 0.00 C ATOM 1244 C THR A 81 -16.996 20.943 5.520 1.00 0.00 C ATOM 1245 O THR A 81 -16.854 21.721 4.577 1.00 0.00 O ATOM 1246 CB THR A 81 -19.047 19.593 5.085 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.341 19.232 5.587 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.193 18.343 4.946 1.00 0.00 C ATOM 0 H THR A 81 -20.010 21.842 5.598 1.00 0.00 H new ATOM 0 HA THR A 81 -18.292 20.141 7.030 1.00 0.00 H new ATOM 0 HB THR A 81 -19.148 20.061 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.763 18.594 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.678 17.645 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.213 18.614 4.552 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.074 17.873 5.922 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.971 20.362 6.136 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.599 20.568 5.698 1.00 0.00 C ATOM 1258 C ILE A 82 -14.079 19.351 4.939 1.00 0.00 C ATOM 1259 O ILE A 82 -14.376 18.213 5.293 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.665 20.862 6.886 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.203 20.831 6.435 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.901 19.861 8.007 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.223 21.230 7.516 1.00 0.00 C ATOM 0 H ILE A 82 -16.067 19.744 6.942 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.604 21.432 5.034 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.887 21.860 7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.960 19.826 6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.081 21.499 5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.233 20.083 8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.935 19.929 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.704 18.853 7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.208 21.184 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.439 22.246 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.315 20.548 8.361 1.00 0.00 H new ATOM 1275 N MET A 83 -13.301 19.606 3.890 1.00 0.00 N ATOM 1276 CA MET A 83 -12.722 18.534 3.088 1.00 0.00 C ATOM 1277 C MET A 83 -11.248 18.789 2.806 1.00 0.00 C ATOM 1278 O MET A 83 -10.893 19.773 2.153 1.00 0.00 O ATOM 1279 CB MET A 83 -13.493 18.380 1.779 1.00 0.00 C ATOM 1280 CG MET A 83 -13.004 17.247 0.890 1.00 0.00 C ATOM 1281 SD MET A 83 -13.966 17.088 -0.628 1.00 0.00 S ATOM 1282 CE MET A 83 -15.513 16.458 0.017 1.00 0.00 C ATOM 0 H MET A 83 -13.058 20.546 3.576 1.00 0.00 H new ATOM 0 HA MET A 83 -12.799 17.608 3.657 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.546 18.216 2.009 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.430 19.315 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.958 17.416 0.636 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.050 16.310 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.760 15.520 -0.481 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.417 16.286 1.089 1.00 0.00 H new ATOM 0 HE3 MET A 83 -16.305 17.184 -0.164 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.390 17.904 3.302 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.955 18.029 3.092 1.00 0.00 C ATOM 1294 C ALA A 84 -8.501 17.214 1.886 1.00 0.00 C ATOM 1295 O ALA A 84 -8.177 16.035 2.007 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.199 17.596 4.341 1.00 0.00 C ATOM 0 H ALA A 84 -10.666 17.091 3.853 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.733 19.077 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.127 17.695 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.492 18.226 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.436 16.557 4.568 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.481 17.854 0.721 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.169 17.167 -0.525 1.00 0.00 C ATOM 1304 C ALA A 85 -6.702 17.342 -0.900 1.00 0.00 C ATOM 1305 O ALA A 85 -6.195 18.463 -0.954 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.069 17.665 -1.646 1.00 0.00 C ATOM 0 H ALA A 85 -8.678 18.849 0.615 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.352 16.103 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.823 17.142 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.111 17.475 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.919 18.736 -1.785 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.026 16.228 -1.156 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.663 16.261 -1.680 1.00 0.00 C ATOM 1314 C ASN A 86 -4.436 15.141 -2.684 1.00 0.00 C ATOM 1315 O ASN A 86 -5.331 14.345 -2.956 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.636 16.183 -0.566 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.436 14.795 -0.024 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.104 13.842 -0.441 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.577 14.691 0.959 1.00 0.00 N ATOM 0 H ASN A 86 -6.398 15.290 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.537 17.216 -2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.682 16.560 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.945 16.840 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.434 13.792 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.051 15.509 1.265 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.226 15.088 -3.237 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.906 14.134 -4.291 1.00 0.00 C ATOM 1328 C PRO A 87 -3.118 12.699 -3.821 1.00 0.00 C ATOM 1329 O PRO A 87 -3.367 11.801 -4.624 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.439 14.422 -4.623 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.248 15.853 -4.253 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.102 16.067 -3.032 1.00 0.00 C ATOM 0 HA PRO A 87 -3.549 14.239 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.769 13.773 -4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.230 14.254 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.200 16.068 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.552 16.513 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.552 15.865 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.465 17.093 -2.967 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.014 12.492 -2.513 1.00 0.00 N ATOM 1341 CA GLN A 88 -2.988 11.147 -1.949 1.00 0.00 C ATOM 1342 C GLN A 88 -4.384 10.686 -1.553 1.00 0.00 C ATOM 1343 O GLN A 88 -4.579 9.542 -1.145 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.062 11.094 -0.731 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.627 11.500 -1.022 1.00 0.00 C ATOM 1346 CD GLN A 88 0.013 10.638 -2.093 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.092 9.408 -2.065 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.683 11.278 -3.044 1.00 0.00 N ATOM 0 H GLN A 88 -2.946 13.239 -1.822 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.609 10.475 -2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.462 11.747 0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.067 10.081 -0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.605 12.543 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.040 11.432 -0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.744 12.296 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.137 10.752 -3.791 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.355 11.585 -1.678 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.735 11.275 -1.331 1.00 0.00 C ATOM 1359 C GLY A 89 -7.421 12.462 -0.671 1.00 0.00 C ATOM 1360 O GLY A 89 -6.935 13.593 -0.752 1.00 0.00 O ATOM 0 H GLY A 89 -5.210 12.536 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.282 10.990 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.759 10.418 -0.658 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.552 12.204 -0.022 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.313 13.257 0.640 1.00 0.00 C ATOM 1366 C ARG A 90 -10.064 12.718 1.852 1.00 0.00 C ATOM 1367 O ARG A 90 -10.288 11.511 1.967 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.248 13.978 -0.320 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.382 13.125 -0.868 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.305 13.847 -1.781 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.460 13.074 -2.207 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.425 13.530 -3.029 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.401 14.763 -3.484 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.413 12.711 -3.345 1.00 0.00 N ATOM 0 H ARG A 90 -8.962 11.274 0.059 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.595 13.996 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.675 14.841 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.663 14.360 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.956 12.274 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.956 12.724 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.653 14.752 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.749 14.162 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.546 12.119 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.643 15.391 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.140 15.092 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.430 11.763 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.159 13.027 -3.965 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.444 13.614 2.753 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.239 13.242 3.914 1.00 0.00 C ATOM 1390 C VAL A 91 -12.130 14.397 4.366 1.00 0.00 C ATOM 1391 O VAL A 91 -11.701 15.550 4.380 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.347 12.801 5.090 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.497 13.963 5.579 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.197 12.249 6.225 1.00 0.00 C ATOM 0 H VAL A 91 -10.213 14.606 2.701 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.866 12.403 3.611 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.682 12.011 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.873 13.633 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.862 14.316 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.146 14.774 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.551 11.942 7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.885 13.020 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.765 11.389 5.869 1.00 0.00 H new ATOM 1404 N SER A 92 -13.365 14.078 4.734 1.00 0.00 N ATOM 1405 CA SER A 92 -14.361 15.097 5.035 1.00 0.00 C ATOM 1406 C SER A 92 -14.865 14.970 6.465 1.00 0.00 C ATOM 1407 O SER A 92 -14.836 13.887 7.052 1.00 0.00 O ATOM 1408 CB SER A 92 -15.517 15.001 4.058 1.00 0.00 C ATOM 1409 OG SER A 92 -16.180 13.771 4.146 1.00 0.00 O ATOM 0 H SER A 92 -13.700 13.120 4.831 1.00 0.00 H new ATOM 0 HA SER A 92 -13.888 16.074 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.223 15.808 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.146 15.140 3.043 1.00 0.00 H new ATOM 0 HG SER A 92 -16.918 13.751 3.502 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.329 16.082 7.026 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.907 16.081 8.364 1.00 0.00 C ATOM 1417 C CYS A 93 -16.945 17.184 8.520 1.00 0.00 C ATOM 1418 O CYS A 93 -16.733 18.315 8.076 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.695 16.353 9.256 1.00 0.00 C ATOM 1420 SG CYS A 93 -15.069 16.431 11.024 1.00 0.00 S ATOM 0 H CYS A 93 -15.316 16.996 6.574 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.428 15.154 8.602 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.953 15.572 9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -14.240 17.295 8.952 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.976 16.663 11.689 1.00 0.00 H new ATOM 1426 N THR A 94 -18.069 16.851 9.147 1.00 0.00 N ATOM 1427 CA THR A 94 -19.182 17.783 9.265 1.00 0.00 C ATOM 1428 C THR A 94 -18.842 18.938 10.200 1.00 0.00 C ATOM 1429 O THR A 94 -18.382 18.723 11.322 1.00 0.00 O ATOM 1430 CB THR A 94 -20.454 17.082 9.778 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.802 16.010 8.891 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.612 18.065 9.856 1.00 0.00 C ATOM 0 H THR A 94 -18.232 15.942 9.581 1.00 0.00 H new ATOM 0 HA THR A 94 -19.369 18.173 8.264 1.00 0.00 H new ATOM 0 HB THR A 94 -20.257 16.690 10.776 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.610 15.563 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.502 17.551 10.220 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.356 18.875 10.538 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.810 18.474 8.865 1.00 0.00 H new ATOM 1440 N GLY A 95 -19.061 20.159 9.729 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.842 21.346 10.547 1.00 0.00 C ATOM 1442 C GLY A 95 -20.158 21.899 11.082 1.00 0.00 C ATOM 1443 O GLY A 95 -20.484 23.065 10.866 1.00 0.00 O ATOM 0 H GLY A 95 -19.391 20.354 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.183 21.100 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.337 22.110 9.956 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.905 21.052 11.783 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.220 21.429 12.285 1.00 0.00 C ATOM 1449 C ARG A 96 -22.155 22.720 13.091 1.00 0.00 C ATOM 1450 O ARG A 96 -21.523 22.772 14.146 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.873 20.308 13.082 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.293 20.595 13.545 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.966 19.445 14.202 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.351 19.689 14.570 1.00 0.00 N ATOM 1455 CZ ARG A 96 -27.111 18.843 15.292 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.640 17.684 15.693 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.355 19.199 15.566 1.00 0.00 N ATOM 0 H ARG A 96 -20.621 20.100 12.016 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.853 21.610 11.416 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.881 19.405 12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.257 20.097 13.956 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.273 21.435 14.240 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.887 20.906 12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.927 18.586 13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.407 19.176 15.098 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.777 20.562 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.685 17.413 15.458 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.229 17.055 16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.715 20.093 15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.955 18.579 16.111 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.809 23.762 12.586 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.962 25.004 13.335 1.00 0.00 C ATOM 1473 C LEU A 97 -24.431 25.379 13.481 1.00 0.00 C ATOM 1474 O LEU A 97 -25.089 25.753 12.505 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.187 26.136 12.649 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.375 27.526 13.271 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.876 27.527 14.709 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.629 28.560 12.441 1.00 0.00 C ATOM 0 H LEU A 97 -23.241 23.771 11.662 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.553 24.851 14.334 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.125 25.889 12.664 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.489 26.180 11.603 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.435 27.780 13.278 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.014 28.518 15.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.439 26.796 15.290 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.818 27.267 14.727 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.763 29.547 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.568 28.313 12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.021 28.562 11.424 1.00 0.00 H new ATOM 1490 N MET A 98 -24.943 25.280 14.703 1.00 0.00 N ATOM 1491 CA MET A 98 -26.342 25.596 14.979 1.00 0.00 C ATOM 1492 C MET A 98 -26.488 27.008 15.529 1.00 0.00 C ATOM 1493 O MET A 98 -25.660 27.469 16.317 1.00 0.00 O ATOM 1494 CB MET A 98 -26.929 24.584 15.959 1.00 0.00 C ATOM 1495 CG MET A 98 -26.943 23.149 15.451 1.00 0.00 C ATOM 1496 SD MET A 98 -27.981 22.937 13.991 1.00 0.00 S ATOM 1497 CE MET A 98 -29.607 23.213 14.690 1.00 0.00 C ATOM 0 H MET A 98 -24.410 24.983 15.520 1.00 0.00 H new ATOM 0 HA MET A 98 -26.892 25.541 14.040 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.358 24.622 16.887 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.950 24.881 16.200 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.924 22.842 15.215 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.299 22.491 16.244 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.366 22.829 14.008 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.684 22.697 15.647 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.762 24.281 14.841 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.546 27.692 15.114 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.769 29.079 15.508 1.00 0.00 C ATOM 1509 C VAL A 99 -29.041 29.219 16.334 1.00 0.00 C ATOM 1510 O VAL A 99 -30.120 28.816 15.905 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.859 30.007 14.283 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.120 31.441 14.719 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.584 29.927 13.457 1.00 0.00 C ATOM 0 H VAL A 99 -28.266 27.308 14.502 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.912 29.375 16.113 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.692 29.677 13.663 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.181 32.083 13.840 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.060 31.489 15.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.307 31.780 15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.666 30.590 12.596 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.735 30.231 14.069 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.436 28.903 13.114 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.906 29.793 17.525 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.056 30.072 18.376 1.00 0.00 C ATOM 1525 C GLN A 100 -30.735 31.374 17.975 1.00 0.00 C ATOM 1526 O GLN A 100 -30.117 32.438 17.980 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.632 30.140 19.845 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.685 30.728 20.770 1.00 0.00 C ATOM 1529 CD GLN A 100 -31.914 29.846 20.881 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -31.812 28.646 21.151 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -33.085 30.437 20.671 1.00 0.00 N ATOM 0 H GLN A 100 -28.010 30.074 17.923 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.769 29.258 18.247 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.384 29.135 20.187 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.723 30.736 19.922 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.254 30.873 21.761 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -30.979 31.711 20.403 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -33.122 31.432 20.450 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -33.947 29.896 20.730 1.00 0.00 H new