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 -49:sc= 0.489 USER MOD Set 1.2: A 80 TYR OH : rot -37:sc= 0.825 USER MOD Set 2.1: A 26 THR OG1 : rot -23:sc= 1.17 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.631 K(o=1.8,f=-6.4!) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.262 (180deg=-0.52) 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= -0.471 K(o=-0.47,f=-3!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.0266 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -133:sc=-0.00164 (180deg=-0.456) USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.414 USER MOD Single : A 29 CYS SG : rot 34:sc= -0.749! USER MOD Single : A 34 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0.898 (180deg=0.897) 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+ 176:sc= 1.17 (180deg=1.15) 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=-0.86) 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= 0.519 USER MOD Single : A 54 HIS : no HD1:sc= -0.0107 K(o=-0.011,f=-1.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.39) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.669 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.391 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -93:sc= 0.02 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 110:sc= 0 USER MOD Single : A 73 THR OG1 : rot -54:sc= 0.855 USER MOD Single : A 79 ASN : amide:sc= 0.77 K(o=0.77,f=-0.11) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 169:sc= -0.0192 (180deg=-0.197) USER MOD Single : A 86 ASN : amide:sc= -0.95! C(o=-0.95!,f=-9.8!) USER MOD Single : A 88 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.11) 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 -165:sc= -0.0239 (180deg=-0.336) USER MOD Single : A 100 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.939 9.156 3.522 1.00 0.00 N ATOM 67 CA ALA A 7 -3.325 9.501 3.251 1.00 0.00 C ATOM 68 C ALA A 7 -3.768 10.705 4.078 1.00 0.00 C ATOM 69 O ALA A 7 -3.225 10.960 5.154 1.00 0.00 O ATOM 70 CB ALA A 7 -4.237 8.313 3.516 1.00 0.00 C ATOM 0 HA ALA A 7 -3.399 9.769 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.269 8.593 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.949 7.482 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.147 8.011 4.559 1.00 0.00 H new ATOM 76 N PRO A 8 -4.750 11.440 3.570 1.00 0.00 N ATOM 77 CA PRO A 8 -5.262 12.614 4.261 1.00 0.00 C ATOM 78 C PRO A 8 -5.864 12.243 5.610 1.00 0.00 C ATOM 79 O PRO A 8 -6.464 11.175 5.762 1.00 0.00 O ATOM 80 CB PRO A 8 -6.311 13.185 3.301 1.00 0.00 C ATOM 81 CG PRO A 8 -6.669 12.039 2.418 1.00 0.00 C ATOM 82 CD PRO A 8 -5.402 11.243 2.265 1.00 0.00 C ATOM 0 HA PRO A 8 -4.482 13.340 4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.182 13.558 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.911 14.020 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.462 11.435 2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.034 12.387 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.604 10.191 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.787 11.611 1.443 1.00 0.00 H new ATOM 90 N PHE A 9 -5.699 13.121 6.592 1.00 0.00 N ATOM 91 CA PHE A 9 -6.135 12.843 7.953 1.00 0.00 C ATOM 92 C PHE A 9 -6.291 14.129 8.756 1.00 0.00 C ATOM 93 O PHE A 9 -5.482 15.047 8.640 1.00 0.00 O ATOM 94 CB PHE A 9 -5.147 11.906 8.650 1.00 0.00 C ATOM 95 CG PHE A 9 -5.441 11.688 10.107 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.464 10.840 10.504 1.00 0.00 C ATOM 97 CD2 PHE A 9 -4.695 12.332 11.083 1.00 0.00 C ATOM 98 CE1 PHE A 9 -6.735 10.641 11.845 1.00 0.00 C ATOM 99 CE2 PHE A 9 -4.963 12.133 12.424 1.00 0.00 C ATOM 100 CZ PHE A 9 -5.985 11.285 12.804 1.00 0.00 C ATOM 0 H PHE A 9 -5.264 14.035 6.469 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.108 12.356 7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.153 10.943 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.141 12.314 8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.055 10.330 9.758 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.895 12.997 10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.536 9.980 12.141 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.374 12.640 13.174 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.196 11.127 13.851 1.00 0.00 H new ATOM 110 N PHE A 10 -7.338 14.186 9.573 1.00 0.00 N ATOM 111 CA PHE A 10 -7.577 15.343 10.430 1.00 0.00 C ATOM 112 C PHE A 10 -6.890 15.177 11.782 1.00 0.00 C ATOM 113 O PHE A 10 -7.406 14.501 12.670 1.00 0.00 O ATOM 114 CB PHE A 10 -9.078 15.561 10.624 1.00 0.00 C ATOM 115 CG PHE A 10 -9.795 15.995 9.377 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.660 17.288 8.897 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.605 15.110 8.682 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.320 17.689 7.750 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.264 15.507 7.535 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.122 16.797 7.068 1.00 0.00 C ATOM 0 H PHE A 10 -8.034 13.446 9.660 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.153 16.219 9.939 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.526 14.636 10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.229 16.313 11.399 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.032 17.991 9.425 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.722 14.098 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.208 18.700 7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.891 14.807 7.003 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.637 17.108 6.171 1.00 0.00 H new ATOM 130 N GLU A 11 -5.724 15.798 11.924 1.00 0.00 N ATOM 131 CA GLU A 11 -5.038 15.852 13.208 1.00 0.00 C ATOM 132 C GLU A 11 -5.920 16.480 14.281 1.00 0.00 C ATOM 133 O GLU A 11 -5.933 16.038 15.427 1.00 0.00 O ATOM 134 CB GLU A 11 -3.727 16.631 13.083 1.00 0.00 C ATOM 135 CG GLU A 11 -2.889 16.662 14.354 1.00 0.00 C ATOM 136 CD GLU A 11 -1.574 17.354 14.124 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.337 17.785 13.022 1.00 0.00 O ATOM 138 OE2 GLU A 11 -0.857 17.551 15.076 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.235 16.271 11.164 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.815 14.828 13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.133 16.192 12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.954 17.655 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.439 17.175 15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.711 15.644 14.700 1.00 0.00 H new ATOM 145 N MET A 12 -6.657 17.520 13.897 1.00 0.00 N ATOM 146 CA MET A 12 -7.635 18.135 14.786 1.00 0.00 C ATOM 147 C MET A 12 -8.982 18.294 14.094 1.00 0.00 C ATOM 148 O MET A 12 -9.089 18.963 13.066 1.00 0.00 O ATOM 149 CB MET A 12 -7.127 19.491 15.273 1.00 0.00 C ATOM 150 CG MET A 12 -8.097 20.239 16.177 1.00 0.00 C ATOM 151 SD MET A 12 -7.415 21.791 16.795 1.00 0.00 S ATOM 152 CE MET A 12 -7.348 22.755 15.287 1.00 0.00 C ATOM 0 H MET A 12 -6.594 17.953 12.976 1.00 0.00 H new ATOM 0 HA MET A 12 -7.772 17.478 15.645 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.190 19.343 15.810 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.903 20.114 14.407 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.016 20.444 15.627 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.365 19.603 17.021 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.082 23.785 15.525 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.598 22.332 14.618 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.322 22.735 14.799 1.00 0.00 H new ATOM 162 N LYS A 13 -10.012 17.676 14.665 1.00 0.00 N ATOM 163 CA LYS A 13 -11.315 17.601 14.015 1.00 0.00 C ATOM 164 C LYS A 13 -12.271 18.651 14.570 1.00 0.00 C ATOM 165 O LYS A 13 -12.020 19.233 15.626 1.00 0.00 O ATOM 166 CB LYS A 13 -11.915 16.203 14.180 1.00 0.00 C ATOM 167 CG LYS A 13 -11.116 15.093 13.510 1.00 0.00 C ATOM 168 CD LYS A 13 -11.801 13.744 13.672 1.00 0.00 C ATOM 169 CE LYS A 13 -11.038 12.646 12.945 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.719 11.327 13.060 1.00 0.00 N1+ ATOM 0 H LYS A 13 -9.969 17.220 15.576 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.170 17.802 12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.001 15.981 15.244 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.926 16.204 13.772 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.996 15.317 12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.116 15.050 13.942 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.877 13.497 14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.818 13.801 13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.935 12.911 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.031 12.571 13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.168 10.606 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.795 11.062 14.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.671 11.391 12.646 1.00 0.00 H new ATOM 184 N LEU A 14 -13.363 18.888 13.850 1.00 0.00 N ATOM 185 CA LEU A 14 -14.353 19.871 14.268 1.00 0.00 C ATOM 186 C LEU A 14 -15.303 19.292 15.307 1.00 0.00 C ATOM 187 O LEU A 14 -15.514 18.080 15.363 1.00 0.00 O ATOM 188 CB LEU A 14 -15.137 20.382 13.053 1.00 0.00 C ATOM 189 CG LEU A 14 -14.309 21.156 12.019 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.159 21.466 10.795 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.780 22.437 12.647 1.00 0.00 C ATOM 0 H LEU A 14 -13.584 18.412 12.975 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.826 20.707 14.727 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.603 19.530 12.557 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.943 21.026 13.405 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.463 20.546 11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.562 22.016 10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.508 20.535 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.017 22.070 11.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.192 22.987 11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.617 23.053 12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.152 22.190 13.503 1.00 0.00 H new ATOM 203 N LYS A 15 -15.877 20.165 16.129 1.00 0.00 N ATOM 204 CA LYS A 15 -16.873 19.751 17.110 1.00 0.00 C ATOM 205 C LYS A 15 -18.234 20.361 16.804 1.00 0.00 C ATOM 206 O LYS A 15 -18.390 21.099 15.831 1.00 0.00 O ATOM 207 CB LYS A 15 -16.428 20.139 18.520 1.00 0.00 C ATOM 208 CG LYS A 15 -15.126 19.491 18.969 1.00 0.00 C ATOM 209 CD LYS A 15 -14.787 19.864 20.404 1.00 0.00 C ATOM 210 CE LYS A 15 -13.492 19.207 20.858 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.153 19.557 22.264 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.669 21.164 16.135 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.966 18.666 17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.316 21.222 18.567 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.216 19.869 19.224 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.208 18.408 18.883 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.316 19.803 18.309 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.696 20.947 20.488 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.601 19.560 21.062 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.583 18.125 20.765 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.679 19.516 20.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.264 19.089 22.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.041 20.588 22.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.917 19.239 22.895 1.00 0.00 H new ATOM 225 N HIS A 16 -19.220 20.047 17.641 1.00 0.00 N ATOM 226 CA HIS A 16 -20.534 20.669 17.544 1.00 0.00 C ATOM 227 C HIS A 16 -20.506 22.095 18.074 1.00 0.00 C ATOM 228 O HIS A 16 -20.339 22.318 19.275 1.00 0.00 O ATOM 229 CB HIS A 16 -21.581 19.849 18.303 1.00 0.00 C ATOM 230 CG HIS A 16 -22.975 20.379 18.170 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.039 19.860 18.877 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.479 21.380 17.411 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.139 20.521 18.559 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.825 21.448 17.672 1.00 0.00 N ATOM 0 H HIS A 16 -19.132 19.365 18.394 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.808 20.698 16.489 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.557 18.821 17.941 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.312 19.821 19.359 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -23.986 19.088 19.541 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.926 22.008 16.728 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.126 20.335 18.957 1.00 0.00 H new ATOM 242 N TYR A 17 -20.673 23.060 17.177 1.00 0.00 N ATOM 243 CA TYR A 17 -20.551 24.470 17.531 1.00 0.00 C ATOM 244 C TYR A 17 -21.920 25.127 17.659 1.00 0.00 C ATOM 245 O TYR A 17 -22.863 24.760 16.957 1.00 0.00 O ATOM 246 CB TYR A 17 -19.709 25.212 16.491 1.00 0.00 C ATOM 247 CG TYR A 17 -18.317 24.647 16.311 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.367 24.763 17.315 1.00 0.00 C ATOM 249 CD2 TYR A 17 -17.957 23.999 15.139 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.095 24.249 17.158 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.688 23.479 14.970 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.759 23.607 15.983 1.00 0.00 C ATOM 253 OH TYR A 17 -14.493 23.093 15.820 1.00 0.00 O ATOM 0 H TYR A 17 -20.894 22.891 16.196 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.053 24.528 18.499 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.228 25.186 15.533 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.630 26.259 16.782 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.627 25.264 18.236 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.681 23.899 14.344 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.367 24.349 17.950 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.425 22.976 14.051 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.133 22.827 16.692 1.00 0.00 H new ATOM 263 N LYS A 18 -22.022 26.100 18.558 1.00 0.00 N ATOM 264 CA LYS A 18 -23.258 26.849 18.740 1.00 0.00 C ATOM 265 C LYS A 18 -22.987 28.344 18.855 1.00 0.00 C ATOM 266 O LYS A 18 -22.022 28.762 19.491 1.00 0.00 O ATOM 267 CB LYS A 18 -24.006 26.353 19.978 1.00 0.00 C ATOM 268 CG LYS A 18 -24.550 24.936 19.858 1.00 0.00 C ATOM 269 CD LYS A 18 -25.361 24.549 21.087 1.00 0.00 C ATOM 270 CE LYS A 18 -25.875 23.121 20.983 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.656 22.722 22.186 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.261 26.388 19.173 1.00 0.00 H new ATOM 0 HA LYS A 18 -23.880 26.684 17.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.335 26.400 20.836 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.834 27.031 20.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.175 24.858 18.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.724 24.237 19.730 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.744 24.652 21.980 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.202 25.233 21.201 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.501 23.024 20.096 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.033 22.441 20.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.988 21.743 22.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.052 22.789 23.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.474 23.355 22.294 1.00 0.00 H new ATOM 285 N ILE A 19 -23.846 29.144 18.233 1.00 0.00 N ATOM 286 CA ILE A 19 -23.691 30.596 18.255 1.00 0.00 C ATOM 287 C ILE A 19 -25.041 31.292 18.162 1.00 0.00 C ATOM 288 O ILE A 19 -25.969 30.796 17.520 1.00 0.00 O ATOM 289 CB ILE A 19 -22.792 31.087 17.107 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.485 32.578 17.270 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.451 30.820 15.763 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.658 32.901 18.493 1.00 0.00 C ATOM 0 H ILE A 19 -24.656 28.814 17.708 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.219 30.847 19.205 1.00 0.00 H new ATOM 0 HB ILE A 19 -21.852 30.536 17.143 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.958 32.930 16.383 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.424 33.129 17.322 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.801 31.174 14.963 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.620 29.749 15.647 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.405 31.345 15.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.482 33.976 18.540 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.192 32.581 19.388 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.703 32.379 18.435 1.00 0.00 H new ATOM 304 N PHE A 20 -25.151 32.450 18.809 1.00 0.00 N ATOM 305 CA PHE A 20 -26.379 33.234 18.776 1.00 0.00 C ATOM 306 C PHE A 20 -26.547 33.939 17.438 1.00 0.00 C ATOM 307 O PHE A 20 -25.571 34.367 16.823 1.00 0.00 O ATOM 308 CB PHE A 20 -26.390 34.258 19.913 1.00 0.00 C ATOM 309 CG PHE A 20 -26.790 33.682 21.242 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.125 33.468 21.548 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.830 33.352 22.188 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.494 32.940 22.771 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.197 32.822 23.411 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.529 32.616 23.702 1.00 0.00 C ATOM 0 H PHE A 20 -24.402 32.865 19.363 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.216 32.548 18.907 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.397 34.699 20.002 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.076 35.066 19.656 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.885 33.717 20.823 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.785 33.511 21.967 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.538 32.781 22.998 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.440 32.569 24.139 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.816 32.202 24.657 1.00 0.00 H new ATOM 324 N GLU A 21 -27.793 34.058 16.990 1.00 0.00 N ATOM 325 CA GLU A 21 -28.089 34.666 15.697 1.00 0.00 C ATOM 326 C GLU A 21 -27.482 36.060 15.593 1.00 0.00 C ATOM 327 O GLU A 21 -27.772 36.936 16.406 1.00 0.00 O ATOM 328 CB GLU A 21 -29.601 34.732 15.470 1.00 0.00 C ATOM 329 CG GLU A 21 -30.008 35.267 14.104 1.00 0.00 C ATOM 330 CD GLU A 21 -31.504 35.326 13.964 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.182 34.880 14.858 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.969 35.917 13.018 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.615 33.741 17.504 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.642 34.041 14.924 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.019 33.733 15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.045 35.362 16.241 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.588 36.262 13.961 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.592 34.630 13.323 1.00 0.00 H new ATOM 339 N GLY A 22 -26.637 36.258 14.585 1.00 0.00 N ATOM 340 CA GLY A 22 -26.100 37.578 14.286 1.00 0.00 C ATOM 341 C GLY A 22 -24.708 37.755 14.878 1.00 0.00 C ATOM 342 O GLY A 22 -23.992 38.695 14.539 1.00 0.00 O ATOM 0 H GLY A 22 -26.310 35.519 13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.059 37.721 13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.767 38.343 14.684 1.00 0.00 H new ATOM 346 N MET A 23 -24.328 36.841 15.766 1.00 0.00 N ATOM 347 CA MET A 23 -23.056 36.937 16.469 1.00 0.00 C ATOM 348 C MET A 23 -21.939 36.269 15.683 1.00 0.00 C ATOM 349 O MET A 23 -22.179 35.342 14.908 1.00 0.00 O ATOM 350 CB MET A 23 -23.171 36.313 17.858 1.00 0.00 C ATOM 351 CG MET A 23 -24.223 36.954 18.752 1.00 0.00 C ATOM 352 SD MET A 23 -23.886 38.696 19.082 1.00 0.00 S ATOM 353 CE MET A 23 -22.470 38.565 20.170 1.00 0.00 C ATOM 0 H MET A 23 -24.886 36.024 16.015 1.00 0.00 H new ATOM 0 HA MET A 23 -22.809 37.993 16.573 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.402 35.253 17.749 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.202 36.379 18.353 1.00 0.00 H new ATOM 0 HG2 MET A 23 -25.201 36.860 18.280 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.271 36.412 19.696 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.614 39.213 21.035 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.362 37.533 20.504 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.571 38.869 19.635 1.00 0.00 H new ATOM 363 N PRO A 24 -20.714 36.743 15.884 1.00 0.00 N ATOM 364 CA PRO A 24 -19.548 36.155 15.237 1.00 0.00 C ATOM 365 C PRO A 24 -19.174 34.820 15.875 1.00 0.00 C ATOM 366 O PRO A 24 -19.411 34.606 17.063 1.00 0.00 O ATOM 367 CB PRO A 24 -18.449 37.206 15.414 1.00 0.00 C ATOM 368 CG PRO A 24 -18.799 37.899 16.684 1.00 0.00 C ATOM 369 CD PRO A 24 -20.306 37.926 16.722 1.00 0.00 C ATOM 0 HA PRO A 24 -19.723 35.924 14.186 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.463 36.744 15.472 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.426 37.902 14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.394 37.369 17.546 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.387 38.908 16.708 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.681 37.841 17.742 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.699 38.858 16.315 1.00 0.00 H new ATOM 377 N VAL A 25 -18.590 33.932 15.080 1.00 0.00 N ATOM 378 CA VAL A 25 -18.118 32.647 15.584 1.00 0.00 C ATOM 379 C VAL A 25 -16.904 32.160 14.798 1.00 0.00 C ATOM 380 O VAL A 25 -16.889 32.216 13.570 1.00 0.00 O ATOM 381 CB VAL A 25 -19.223 31.576 15.523 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.693 31.378 14.090 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.725 30.262 16.105 1.00 0.00 C ATOM 0 H VAL A 25 -18.432 34.078 14.083 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.834 32.802 16.625 1.00 0.00 H new ATOM 0 HB VAL A 25 -20.068 31.919 16.120 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.474 30.618 14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.089 32.317 13.704 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.854 31.057 13.473 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.519 29.517 16.054 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.864 29.914 15.534 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -18.435 30.412 17.145 1.00 0.00 H new ATOM 393 N THR A 26 -15.895 31.684 15.517 1.00 0.00 N ATOM 394 CA THR A 26 -14.670 31.199 14.888 1.00 0.00 C ATOM 395 C THR A 26 -14.414 29.736 15.240 1.00 0.00 C ATOM 396 O THR A 26 -14.527 29.338 16.398 1.00 0.00 O ATOM 397 CB THR A 26 -13.449 32.039 15.308 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.676 33.415 14.975 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.196 31.549 14.598 1.00 0.00 C ATOM 0 H THR A 26 -15.899 31.623 16.535 1.00 0.00 H new ATOM 0 HA THR A 26 -14.810 31.292 13.811 1.00 0.00 H new ATOM 0 HB THR A 26 -13.308 31.937 16.384 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.336 33.472 14.253 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.343 32.154 14.906 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.015 30.506 14.858 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.331 31.636 13.520 1.00 0.00 H new ATOM 407 N PHE A 27 -14.066 28.946 14.234 1.00 0.00 N ATOM 408 CA PHE A 27 -13.664 27.561 14.450 1.00 0.00 C ATOM 409 C PHE A 27 -12.669 27.104 13.389 1.00 0.00 C ATOM 410 O PHE A 27 -12.643 27.638 12.282 1.00 0.00 O ATOM 411 CB PHE A 27 -14.888 26.644 14.453 1.00 0.00 C ATOM 412 CG PHE A 27 -15.763 26.797 13.242 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.756 27.764 13.204 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.595 25.974 12.139 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.563 27.906 12.092 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.401 26.114 11.024 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.385 27.079 11.000 1.00 0.00 C ATOM 0 H PHE A 27 -14.054 29.240 13.257 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.175 27.503 15.422 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.554 25.608 14.520 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.480 26.847 15.345 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.900 28.414 14.054 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.826 25.215 12.151 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.333 28.663 12.076 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.259 25.467 10.171 1.00 0.00 H new ATOM 0 HZ PHE A 27 -18.015 27.188 10.130 1.00 0.00 H new ATOM 427 N THR A 28 -11.856 26.115 13.737 1.00 0.00 N ATOM 428 CA THR A 28 -10.684 25.769 12.941 1.00 0.00 C ATOM 429 C THR A 28 -10.410 24.272 12.980 1.00 0.00 C ATOM 430 O THR A 28 -10.870 23.571 13.884 1.00 0.00 O ATOM 431 CB THR A 28 -9.430 26.520 13.423 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.334 26.244 12.542 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.061 26.090 14.835 1.00 0.00 C ATOM 0 H THR A 28 -11.987 25.537 14.567 1.00 0.00 H new ATOM 0 HA THR A 28 -10.905 26.068 11.916 1.00 0.00 H new ATOM 0 HB THR A 28 -9.644 27.589 13.423 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.678 26.018 11.653 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.172 26.631 15.160 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.887 26.311 15.510 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.859 25.019 14.848 1.00 0.00 H new ATOM 441 N CYS A 29 -9.654 23.785 12.001 1.00 0.00 N ATOM 442 CA CYS A 29 -9.341 22.365 11.908 1.00 0.00 C ATOM 443 C CYS A 29 -7.966 22.144 11.292 1.00 0.00 C ATOM 444 O CYS A 29 -7.503 22.949 10.480 1.00 0.00 O ATOM 445 CB CYS A 29 -10.438 21.838 10.982 1.00 0.00 C ATOM 446 SG CYS A 29 -10.457 20.038 10.792 1.00 0.00 S ATOM 0 H CYS A 29 -9.246 24.355 11.260 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.311 21.868 12.878 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.406 22.161 11.365 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.317 22.293 9.999 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.100 19.480 11.910 1.00 0.00 H new ATOM 452 N ARG A 30 -7.316 21.052 11.680 1.00 0.00 N ATOM 453 CA ARG A 30 -5.935 20.804 11.289 1.00 0.00 C ATOM 454 C ARG A 30 -5.791 19.445 10.613 1.00 0.00 C ATOM 455 O ARG A 30 -6.288 18.434 11.114 1.00 0.00 O ATOM 456 CB ARG A 30 -4.974 20.949 12.459 1.00 0.00 C ATOM 457 CG ARG A 30 -3.508 20.744 12.111 1.00 0.00 C ATOM 458 CD ARG A 30 -2.581 20.865 13.267 1.00 0.00 C ATOM 459 NE ARG A 30 -1.191 20.566 12.958 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.282 21.479 12.567 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.616 22.739 12.397 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.953 21.069 12.334 1.00 0.00 N ATOM 0 H ARG A 30 -7.725 20.324 12.266 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.664 21.569 10.562 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.095 21.943 12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.253 20.232 13.231 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.387 19.757 11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.221 21.473 11.353 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.643 21.879 13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.917 20.194 14.058 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.884 19.597 13.044 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.577 23.039 12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.086 23.417 12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.194 20.085 12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.664 21.737 12.036 1.00 0.00 H new ATOM 476 N VAL A 31 -5.107 19.427 9.472 1.00 0.00 N ATOM 477 CA VAL A 31 -4.834 18.182 8.765 1.00 0.00 C ATOM 478 C VAL A 31 -3.356 17.815 8.843 1.00 0.00 C ATOM 479 O VAL A 31 -2.503 18.681 9.024 1.00 0.00 O ATOM 480 CB VAL A 31 -5.253 18.270 7.286 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.752 18.498 7.170 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.491 19.383 6.581 1.00 0.00 C ATOM 0 H VAL A 31 -4.733 20.260 9.019 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.423 17.407 9.255 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.009 17.324 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.031 18.558 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.283 17.670 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.018 19.430 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.800 19.431 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.706 20.335 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.421 19.182 6.634 1.00 0.00 H new ATOM 492 N ALA A 32 -3.067 16.526 8.709 1.00 0.00 N ATOM 493 CA ALA A 32 -1.693 16.042 8.757 1.00 0.00 C ATOM 494 C ALA A 32 -1.487 14.866 7.810 1.00 0.00 C ATOM 495 O ALA A 32 -1.431 13.714 8.240 1.00 0.00 O ATOM 496 CB ALA A 32 -1.315 15.655 10.180 1.00 0.00 C ATOM 0 H ALA A 32 -3.766 15.797 8.566 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.041 16.852 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.286 15.296 10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.407 16.525 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.981 14.867 10.532 1.00 0.00 H new ATOM 502 N GLY A 33 -1.380 15.163 6.522 1.00 0.00 N ATOM 503 CA GLY A 33 -1.133 14.139 5.516 1.00 0.00 C ATOM 504 C GLY A 33 0.154 14.413 4.751 1.00 0.00 C ATOM 505 O GLY A 33 0.957 15.256 5.152 1.00 0.00 O ATOM 0 H GLY A 33 -1.461 16.109 6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.072 13.162 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.971 14.101 4.820 1.00 0.00 H new ATOM 509 N ASN A 34 0.347 13.698 3.641 1.00 0.00 N ATOM 510 CA ASN A 34 1.532 13.879 2.808 1.00 0.00 C ATOM 511 C ASN A 34 1.261 13.454 1.384 1.00 0.00 C ATOM 512 O ASN A 34 1.199 12.262 1.074 1.00 0.00 O ATOM 513 CB ASN A 34 2.717 13.070 3.408 1.00 0.00 C ATOM 514 CG ASN A 34 4.105 13.326 2.811 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.256 13.771 1.683 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.161 13.036 3.522 1.00 0.00 N ATOM 0 H ASN A 34 -0.303 12.989 3.300 1.00 0.00 H new ATOM 0 HA ASN A 34 1.794 14.937 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.764 13.279 4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.492 12.009 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.093 13.182 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.054 12.664 4.466 1.00 0.00 H new ATOM 523 N PRO A 35 1.126 14.435 0.495 1.00 0.00 N ATOM 524 CA PRO A 35 1.317 15.830 0.869 1.00 0.00 C ATOM 525 C PRO A 35 0.196 16.320 1.777 1.00 0.00 C ATOM 526 O PRO A 35 -0.902 15.763 1.779 1.00 0.00 O ATOM 527 CB PRO A 35 1.339 16.574 -0.470 1.00 0.00 C ATOM 528 CG PRO A 35 1.604 15.512 -1.482 1.00 0.00 C ATOM 529 CD PRO A 35 0.940 14.273 -0.943 1.00 0.00 C ATOM 0 HA PRO A 35 2.230 15.991 1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.391 17.076 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.114 17.340 -0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.195 15.785 -2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.674 15.357 -1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.114 14.223 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.409 13.363 -1.316 1.00 0.00 H new ATOM 537 N LYS A 36 0.485 17.358 2.556 1.00 0.00 N ATOM 538 CA LYS A 36 -0.511 17.944 3.445 1.00 0.00 C ATOM 539 C LYS A 36 -1.757 18.364 2.674 1.00 0.00 C ATOM 540 O LYS A 36 -1.675 19.121 1.708 1.00 0.00 O ATOM 541 CB LYS A 36 0.075 19.144 4.191 1.00 0.00 C ATOM 542 CG LYS A 36 1.155 18.788 5.205 1.00 0.00 C ATOM 543 CD LYS A 36 1.666 20.025 5.926 1.00 0.00 C ATOM 544 CE LYS A 36 2.742 19.670 6.942 1.00 0.00 C ATOM 545 NZ LYS A 36 3.293 20.878 7.615 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.399 17.809 2.589 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.799 17.183 4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.492 19.840 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.732 19.666 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.756 18.080 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.983 18.292 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.068 20.731 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.837 20.523 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.326 18.996 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.549 19.133 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.010 20.591 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.729 21.502 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.525 21.386 8.099 1.00 0.00 H new ATOM 559 N PRO A 37 -2.909 17.867 3.108 1.00 0.00 N ATOM 560 CA PRO A 37 -4.165 18.123 2.415 1.00 0.00 C ATOM 561 C PRO A 37 -4.427 19.619 2.284 1.00 0.00 C ATOM 562 O PRO A 37 -4.087 20.398 3.176 1.00 0.00 O ATOM 563 CB PRO A 37 -5.222 17.427 3.279 1.00 0.00 C ATOM 564 CG PRO A 37 -4.475 16.332 3.964 1.00 0.00 C ATOM 565 CD PRO A 37 -3.099 16.884 4.221 1.00 0.00 C ATOM 0 HA PRO A 37 -4.165 17.746 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.665 18.116 3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.036 17.033 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.964 16.047 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.429 15.439 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.034 17.364 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.341 16.101 4.200 1.00 0.00 H new ATOM 573 N LYS A 38 -5.033 20.015 1.169 1.00 0.00 N ATOM 574 CA LYS A 38 -5.459 21.396 0.977 1.00 0.00 C ATOM 575 C LYS A 38 -6.867 21.618 1.506 1.00 0.00 C ATOM 576 O LYS A 38 -7.849 21.280 0.846 1.00 0.00 O ATOM 577 CB LYS A 38 -5.387 21.778 -0.503 1.00 0.00 C ATOM 578 CG LYS A 38 -3.982 21.761 -1.090 1.00 0.00 C ATOM 579 CD LYS A 38 -3.999 22.092 -2.575 1.00 0.00 C ATOM 580 CE LYS A 38 -2.591 22.116 -3.153 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.581 22.557 -4.575 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.240 19.398 0.384 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.780 22.035 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.014 21.093 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.808 22.775 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.356 22.481 -0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.535 20.779 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.600 21.355 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.474 23.061 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.967 22.786 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.151 21.121 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.604 22.560 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.155 21.904 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.977 23.516 -4.644 1.00 0.00 H new ATOM 595 N ILE A 39 -6.964 22.185 2.705 1.00 0.00 N ATOM 596 CA ILE A 39 -8.238 22.297 3.403 1.00 0.00 C ATOM 597 C ILE A 39 -9.203 23.196 2.639 1.00 0.00 C ATOM 598 O ILE A 39 -8.947 24.386 2.455 1.00 0.00 O ATOM 599 CB ILE A 39 -8.055 22.849 4.829 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.341 21.822 5.711 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.400 23.228 5.429 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.935 22.357 7.065 1.00 0.00 C ATOM 0 H ILE A 39 -6.171 22.575 3.214 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.654 21.291 3.466 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.438 23.746 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.995 20.961 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.452 21.465 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.252 23.616 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.872 23.992 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.041 22.348 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.435 21.571 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.255 23.199 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.822 22.687 7.607 1.00 0.00 H new ATOM 614 N TYR A 40 -10.319 22.619 2.197 1.00 0.00 N ATOM 615 CA TYR A 40 -11.391 23.395 1.592 1.00 0.00 C ATOM 616 C TYR A 40 -12.631 23.410 2.480 1.00 0.00 C ATOM 617 O TYR A 40 -12.904 22.444 3.197 1.00 0.00 O ATOM 618 CB TYR A 40 -11.740 22.835 0.210 1.00 0.00 C ATOM 619 CG TYR A 40 -10.602 22.901 -0.783 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.203 24.111 -1.329 1.00 0.00 C ATOM 621 CD2 TYR A 40 -9.930 21.752 -1.174 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.164 24.177 -2.237 1.00 0.00 C ATOM 623 CE2 TYR A 40 -8.889 21.805 -2.080 1.00 0.00 C ATOM 624 CZ TYR A 40 -8.509 23.021 -2.610 1.00 0.00 C ATOM 625 OH TYR A 40 -7.474 23.081 -3.515 1.00 0.00 O ATOM 0 H TYR A 40 -10.501 21.617 2.248 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.040 24.421 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.055 21.797 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.591 23.386 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.713 25.018 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.226 20.799 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.866 25.128 -2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.376 20.901 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.121 22.180 -3.668 1.00 0.00 H new ATOM 635 N TRP A 41 -13.378 24.507 2.427 1.00 0.00 N ATOM 636 CA TRP A 41 -14.601 24.638 3.211 1.00 0.00 C ATOM 637 C TRP A 41 -15.822 24.756 2.310 1.00 0.00 C ATOM 638 O TRP A 41 -15.784 25.425 1.276 1.00 0.00 O ATOM 639 CB TRP A 41 -14.514 25.852 4.138 1.00 0.00 C ATOM 640 CG TRP A 41 -13.461 25.724 5.195 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.152 26.091 5.092 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.626 25.194 6.516 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.491 25.821 6.265 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.377 25.271 7.157 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.714 24.662 7.220 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.181 24.837 8.458 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.518 24.228 8.526 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.287 24.314 9.127 1.00 0.00 C ATOM 0 H TRP A 41 -13.158 25.319 1.849 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.708 23.737 3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.311 26.741 3.541 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.481 26.003 4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.700 26.530 4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.503 26.000 6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.687 24.590 6.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.213 24.901 8.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.350 23.816 9.078 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.172 23.968 10.144 1.00 0.00 H new ATOM 659 N PHE A 42 -16.910 24.102 2.707 1.00 0.00 N ATOM 660 CA PHE A 42 -18.201 24.306 2.067 1.00 0.00 C ATOM 661 C PHE A 42 -19.347 24.027 3.033 1.00 0.00 C ATOM 662 O PHE A 42 -19.235 23.171 3.911 1.00 0.00 O ATOM 663 CB PHE A 42 -18.328 23.417 0.828 1.00 0.00 C ATOM 664 CG PHE A 42 -18.237 21.948 1.125 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.004 21.322 1.233 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.385 21.188 1.296 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.919 19.971 1.505 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.302 19.835 1.569 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.069 19.227 1.673 1.00 0.00 C ATOM 0 H PHE A 42 -16.921 23.426 3.470 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.262 25.351 1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.282 23.622 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.545 23.684 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.100 21.898 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.354 21.658 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.952 19.496 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.203 19.254 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.003 18.170 1.886 1.00 0.00 H new ATOM 679 N LYS A 43 -20.445 24.755 2.866 1.00 0.00 N ATOM 680 CA LYS A 43 -21.556 24.688 3.807 1.00 0.00 C ATOM 681 C LYS A 43 -22.766 24.002 3.183 1.00 0.00 C ATOM 682 O LYS A 43 -23.426 24.563 2.309 1.00 0.00 O ATOM 683 CB LYS A 43 -21.937 26.089 4.288 1.00 0.00 C ATOM 684 CG LYS A 43 -22.890 26.108 5.475 1.00 0.00 C ATOM 685 CD LYS A 43 -24.341 26.088 5.020 1.00 0.00 C ATOM 686 CE LYS A 43 -25.287 26.423 6.165 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.673 25.956 5.897 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.589 25.398 2.088 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.232 24.096 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.028 26.627 4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.395 26.632 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.695 25.247 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.708 26.999 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.480 26.804 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.585 25.104 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.921 25.964 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.293 27.501 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.269 26.143 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.057 26.463 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.663 24.935 5.701 1.00 0.00 H new ATOM 701 N ASP A 44 -23.052 22.786 3.636 1.00 0.00 N ATOM 702 CA ASP A 44 -24.142 21.996 3.073 1.00 0.00 C ATOM 703 C ASP A 44 -24.119 22.035 1.549 1.00 0.00 C ATOM 704 O ASP A 44 -25.160 22.174 0.910 1.00 0.00 O ATOM 705 CB ASP A 44 -25.492 22.498 3.592 1.00 0.00 C ATOM 706 CG ASP A 44 -25.738 22.226 5.070 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.614 21.094 5.474 1.00 0.00 O ATOM 708 OD2 ASP A 44 -25.892 23.169 5.809 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.544 22.326 4.391 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.004 20.962 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.558 23.572 3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.287 22.030 3.012 1.00 0.00 H new ATOM 713 N GLY A 45 -22.927 21.916 0.976 1.00 0.00 N ATOM 714 CA GLY A 45 -22.781 21.794 -0.469 1.00 0.00 C ATOM 715 C GLY A 45 -22.438 23.136 -1.103 1.00 0.00 C ATOM 716 O GLY A 45 -22.224 23.224 -2.310 1.00 0.00 O ATOM 0 H GLY A 45 -22.047 21.901 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.999 21.070 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.706 21.411 -0.900 1.00 0.00 H new ATOM 720 N LYS A 46 -22.389 24.177 -0.277 1.00 0.00 N ATOM 721 CA LYS A 46 -22.129 25.527 -0.764 1.00 0.00 C ATOM 722 C LYS A 46 -20.666 25.909 -0.577 1.00 0.00 C ATOM 723 O LYS A 46 -20.255 26.319 0.509 1.00 0.00 O ATOM 724 CB LYS A 46 -23.031 26.536 -0.053 1.00 0.00 C ATOM 725 CG LYS A 46 -24.520 26.326 -0.291 1.00 0.00 C ATOM 726 CD LYS A 46 -25.354 27.322 0.502 1.00 0.00 C ATOM 727 CE LYS A 46 -26.840 27.141 0.230 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.657 28.209 0.869 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.526 24.111 0.732 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.351 25.544 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.836 26.487 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.761 27.540 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.739 26.431 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.796 25.310 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.159 27.196 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.056 28.338 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.015 27.145 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.161 26.168 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.663 28.049 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.510 28.189 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.369 29.136 0.496 1.00 0.00 H new ATOM 742 N GLN A 47 -19.881 25.768 -1.640 1.00 0.00 N ATOM 743 CA GLN A 47 -18.457 26.081 -1.587 1.00 0.00 C ATOM 744 C GLN A 47 -18.217 27.469 -1.014 1.00 0.00 C ATOM 745 O GLN A 47 -18.828 28.445 -1.454 1.00 0.00 O ATOM 746 CB GLN A 47 -17.835 25.985 -2.982 1.00 0.00 C ATOM 747 CG GLN A 47 -16.329 26.182 -3.007 1.00 0.00 C ATOM 748 CD GLN A 47 -15.753 26.064 -4.405 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.489 25.926 -5.386 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.429 26.115 -4.505 1.00 0.00 N ATOM 0 H GLN A 47 -20.207 25.439 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.984 25.351 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.070 25.008 -3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.299 26.732 -3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.087 27.163 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.858 25.443 -2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.858 26.230 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.983 26.039 -5.419 1.00 0.00 H new ATOM 759 N ILE A 48 -17.327 27.554 -0.032 1.00 0.00 N ATOM 760 CA ILE A 48 -17.035 28.818 0.631 1.00 0.00 C ATOM 761 C ILE A 48 -15.744 29.431 0.104 1.00 0.00 C ATOM 762 O ILE A 48 -14.687 28.801 0.137 1.00 0.00 O ATOM 763 CB ILE A 48 -16.923 28.641 2.157 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.252 28.147 2.735 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.505 29.948 2.814 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.163 27.708 4.179 1.00 0.00 C ATOM 0 H ILE A 48 -16.794 26.760 0.323 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.866 29.488 0.412 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.158 27.893 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.992 28.943 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.612 27.313 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.430 29.806 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.537 30.259 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.248 30.717 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.143 27.372 4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.448 26.890 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.834 28.545 4.794 1.00 0.00 H new ATOM 778 N SER A 49 -15.834 30.666 -0.376 1.00 0.00 N ATOM 779 CA SER A 49 -14.658 31.401 -0.826 1.00 0.00 C ATOM 780 C SER A 49 -14.068 32.240 0.301 1.00 0.00 C ATOM 781 O SER A 49 -14.796 32.900 1.042 1.00 0.00 O ATOM 782 CB SER A 49 -15.011 32.281 -2.009 1.00 0.00 C ATOM 783 OG SER A 49 -13.940 33.095 -2.398 1.00 0.00 O ATOM 0 H SER A 49 -16.711 31.180 -0.464 1.00 0.00 H new ATOM 0 HA SER A 49 -13.904 30.677 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.314 31.655 -2.848 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.866 32.906 -1.753 1.00 0.00 H new ATOM 0 HG SER A 49 -14.208 33.645 -3.164 1.00 0.00 H new ATOM 789 N PRO A 50 -12.745 32.207 0.429 1.00 0.00 N ATOM 790 CA PRO A 50 -12.051 33.016 1.421 1.00 0.00 C ATOM 791 C PRO A 50 -12.407 34.492 1.275 1.00 0.00 C ATOM 792 O PRO A 50 -12.580 34.991 0.161 1.00 0.00 O ATOM 793 CB PRO A 50 -10.568 32.748 1.148 1.00 0.00 C ATOM 794 CG PRO A 50 -10.548 31.416 0.479 1.00 0.00 C ATOM 795 CD PRO A 50 -11.797 31.372 -0.360 1.00 0.00 C ATOM 0 HA PRO A 50 -12.328 32.762 2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.136 33.519 0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.990 32.737 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.656 31.299 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.538 30.609 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.631 31.779 -1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.164 30.354 -0.489 1.00 0.00 H new ATOM 803 N LYS A 51 -12.508 35.185 2.402 1.00 0.00 N ATOM 804 CA LYS A 51 -12.774 36.619 2.398 1.00 0.00 C ATOM 805 C LYS A 51 -14.070 36.936 1.664 1.00 0.00 C ATOM 806 O LYS A 51 -14.096 37.768 0.757 1.00 0.00 O ATOM 807 CB LYS A 51 -11.609 37.378 1.761 1.00 0.00 C ATOM 808 CG LYS A 51 -10.285 37.233 2.499 1.00 0.00 C ATOM 809 CD LYS A 51 -9.176 38.009 1.803 1.00 0.00 C ATOM 810 CE LYS A 51 -7.849 37.852 2.531 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.736 38.526 1.810 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.410 34.777 3.332 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.882 36.941 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.480 37.028 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.867 38.436 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.396 37.591 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.013 36.179 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.073 37.658 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.444 39.065 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.935 38.267 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.620 36.792 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.850 38.395 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.637 38.113 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.942 39.542 1.726 1.00 0.00 H new ATOM 825 N SER A 52 -15.148 36.271 2.067 1.00 0.00 N ATOM 826 CA SER A 52 -16.458 36.502 1.470 1.00 0.00 C ATOM 827 C SER A 52 -17.261 37.511 2.280 1.00 0.00 C ATOM 828 O SER A 52 -16.706 38.259 3.085 1.00 0.00 O ATOM 829 CB SER A 52 -17.218 35.195 1.352 1.00 0.00 C ATOM 830 OG SER A 52 -18.377 35.328 0.578 1.00 0.00 O ATOM 0 H SER A 52 -15.140 35.567 2.805 1.00 0.00 H new ATOM 0 HA SER A 52 -16.308 36.915 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.571 34.439 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.486 34.841 2.347 1.00 0.00 H new ATOM 0 HG SER A 52 -18.836 34.464 0.525 1.00 0.00 H new ATOM 836 N ASP A 53 -18.574 37.528 2.063 1.00 0.00 N ATOM 837 CA ASP A 53 -19.449 38.472 2.739 1.00 0.00 C ATOM 838 C ASP A 53 -19.308 38.372 4.253 1.00 0.00 C ATOM 839 O ASP A 53 -19.188 39.378 4.945 1.00 0.00 O ATOM 840 CB ASP A 53 -20.905 38.237 2.329 1.00 0.00 C ATOM 841 CG ASP A 53 -21.239 38.678 0.910 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.438 39.362 0.317 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.209 38.199 0.374 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.053 36.895 1.422 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.152 39.476 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.131 37.175 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.555 38.768 3.024 1.00 0.00 H new ATOM 848 N HIS A 54 -19.331 37.142 4.761 1.00 0.00 N ATOM 849 CA HIS A 54 -19.193 36.902 6.192 1.00 0.00 C ATOM 850 C HIS A 54 -18.247 35.744 6.468 1.00 0.00 C ATOM 851 O HIS A 54 -17.932 35.447 7.624 1.00 0.00 O ATOM 852 CB HIS A 54 -20.558 36.624 6.829 1.00 0.00 C ATOM 853 CG HIS A 54 -21.509 37.778 6.744 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.384 38.902 7.532 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.597 37.982 5.964 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.356 39.749 7.241 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.105 39.213 6.293 1.00 0.00 N ATOM 0 H HIS A 54 -19.444 36.297 4.201 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.772 37.803 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.007 35.758 6.342 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.413 36.361 7.877 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.991 37.303 5.222 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.512 40.714 7.700 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.928 39.645 5.874 1.00 0.00 H new ATOM 865 N TYR A 55 -17.795 35.088 5.405 1.00 0.00 N ATOM 866 CA TYR A 55 -16.999 33.872 5.536 1.00 0.00 C ATOM 867 C TYR A 55 -15.530 34.144 5.237 1.00 0.00 C ATOM 868 O TYR A 55 -15.139 34.311 4.082 1.00 0.00 O ATOM 869 CB TYR A 55 -17.529 32.779 4.605 1.00 0.00 C ATOM 870 CG TYR A 55 -18.928 32.312 4.944 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.461 32.520 6.207 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.712 31.669 3.995 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.739 32.096 6.517 1.00 0.00 C ATOM 874 CE2 TYR A 55 -20.989 31.240 4.297 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.500 31.457 5.561 1.00 0.00 C ATOM 876 OH TYR A 55 -22.773 31.035 5.866 1.00 0.00 O ATOM 0 H TYR A 55 -17.966 35.378 4.442 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.082 33.529 6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.519 33.151 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.853 31.925 4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.869 33.020 6.959 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.316 31.502 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.141 32.265 7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.585 30.738 3.549 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.758 30.532 6.707 1.00 0.00 H new ATOM 886 N THR A 56 -14.716 34.186 6.288 1.00 0.00 N ATOM 887 CA THR A 56 -13.284 34.417 6.139 1.00 0.00 C ATOM 888 C THR A 56 -12.493 33.138 6.378 1.00 0.00 C ATOM 889 O THR A 56 -12.621 32.503 7.428 1.00 0.00 O ATOM 890 CB THR A 56 -12.783 35.507 7.107 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.451 36.744 6.826 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.281 35.700 6.960 1.00 0.00 C ATOM 0 H THR A 56 -15.025 34.063 7.252 1.00 0.00 H new ATOM 0 HA THR A 56 -13.125 34.753 5.114 1.00 0.00 H new ATOM 0 HB THR A 56 -13.001 35.194 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.133 37.435 7.443 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.944 36.473 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.770 34.764 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.051 36.001 5.938 1.00 0.00 H new ATOM 900 N ILE A 57 -11.675 32.760 5.403 1.00 0.00 N ATOM 901 CA ILE A 57 -10.853 31.560 5.512 1.00 0.00 C ATOM 902 C ILE A 57 -9.376 31.913 5.630 1.00 0.00 C ATOM 903 O ILE A 57 -8.815 32.579 4.761 1.00 0.00 O ATOM 904 CB ILE A 57 -11.053 30.627 4.303 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.505 30.148 4.233 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.102 29.444 4.382 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.829 29.361 2.984 1.00 0.00 C ATOM 0 H ILE A 57 -11.563 33.268 4.526 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.172 31.041 6.416 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.831 31.185 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.716 29.530 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.166 31.013 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.257 28.795 3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.073 29.804 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.293 28.884 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.875 29.056 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.651 29.982 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.194 28.476 2.937 1.00 0.00 H new ATOM 919 N GLN A 58 -8.753 31.464 6.714 1.00 0.00 N ATOM 920 CA GLN A 58 -7.317 31.631 6.894 1.00 0.00 C ATOM 921 C GLN A 58 -6.602 30.286 6.911 1.00 0.00 C ATOM 922 O GLN A 58 -6.669 29.549 7.896 1.00 0.00 O ATOM 923 CB GLN A 58 -7.024 32.387 8.194 1.00 0.00 C ATOM 924 CG GLN A 58 -7.498 33.830 8.193 1.00 0.00 C ATOM 925 CD GLN A 58 -6.754 34.683 7.184 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.531 34.582 7.046 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.487 35.534 6.475 1.00 0.00 N ATOM 0 H GLN A 58 -9.221 30.981 7.481 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.944 32.210 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.498 31.861 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.950 32.369 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.565 33.859 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.367 34.253 9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.495 35.584 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.042 36.137 5.784 1.00 0.00 H new ATOM 936 N ARG A 59 -5.920 29.970 5.815 1.00 0.00 N ATOM 937 CA ARG A 59 -5.274 28.674 5.661 1.00 0.00 C ATOM 938 C ARG A 59 -3.777 28.770 5.937 1.00 0.00 C ATOM 939 O ARG A 59 -3.004 29.193 5.079 1.00 0.00 O ATOM 940 CB ARG A 59 -5.552 28.053 4.300 1.00 0.00 C ATOM 941 CG ARG A 59 -5.064 26.622 4.137 1.00 0.00 C ATOM 942 CD ARG A 59 -5.214 26.076 2.764 1.00 0.00 C ATOM 943 NE ARG A 59 -6.584 26.033 2.279 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.103 26.887 1.377 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.386 27.873 0.886 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.364 26.723 1.014 1.00 0.00 N ATOM 0 H ARG A 59 -5.801 30.596 5.019 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.709 28.007 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.626 28.078 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.085 28.670 3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.013 26.575 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.611 25.983 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.618 26.680 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.802 25.067 2.741 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.195 25.304 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.420 28.001 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.796 28.511 0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.916 25.965 1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.785 27.355 0.332 1.00 0.00 H new ATOM 960 N ASP A 60 -3.379 28.372 7.139 1.00 0.00 N ATOM 961 CA ASP A 60 -1.961 28.280 7.483 1.00 0.00 C ATOM 962 C ASP A 60 -1.308 27.080 6.811 1.00 0.00 C ATOM 963 O ASP A 60 -1.823 25.965 6.869 1.00 0.00 O ATOM 964 CB ASP A 60 -1.782 28.193 9.001 1.00 0.00 C ATOM 965 CG ASP A 60 -0.332 28.234 9.467 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.540 28.159 8.635 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.108 28.495 10.625 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.014 28.108 7.892 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.471 29.183 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.324 29.016 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.239 27.269 9.356 1.00 0.00 H new ATOM 972 N LEU A 61 -0.169 27.315 6.167 1.00 0.00 N ATOM 973 CA LEU A 61 0.496 26.284 5.378 1.00 0.00 C ATOM 974 C LEU A 61 1.013 25.162 6.264 1.00 0.00 C ATOM 975 O LEU A 61 1.364 24.085 5.777 1.00 0.00 O ATOM 976 CB LEU A 61 1.646 26.895 4.568 1.00 0.00 C ATOM 977 CG LEU A 61 1.221 27.891 3.480 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.451 28.501 2.822 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.354 27.181 2.451 1.00 0.00 C ATOM 0 H LEU A 61 0.314 28.213 6.176 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.236 25.860 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.325 27.400 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.208 26.087 4.099 1.00 0.00 H new ATOM 0 HG LEU A 61 0.641 28.696 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.139 29.206 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.044 29.023 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.051 27.711 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.053 27.889 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.920 26.368 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.533 26.777 2.939 1.00 0.00 H new ATOM 991 N ASP A 62 1.064 25.414 7.569 1.00 0.00 N ATOM 992 CA ASP A 62 1.501 24.410 8.526 1.00 0.00 C ATOM 993 C ASP A 62 0.555 23.214 8.540 1.00 0.00 C ATOM 994 O ASP A 62 0.959 22.095 8.853 1.00 0.00 O ATOM 995 CB ASP A 62 1.605 25.016 9.928 1.00 0.00 C ATOM 996 CG ASP A 62 2.420 24.189 10.913 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.588 23.994 10.671 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.915 23.893 11.969 1.00 0.00 O1- ATOM 0 H ASP A 62 0.807 26.309 7.986 1.00 0.00 H new ATOM 0 HA ASP A 62 2.487 24.061 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.050 26.008 9.850 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.600 25.149 10.328 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.706 23.462 8.205 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.689 22.392 8.093 1.00 0.00 C ATOM 1005 C GLY A 63 -2.985 22.760 8.807 1.00 0.00 C ATOM 1006 O GLY A 63 -3.967 22.022 8.753 1.00 0.00 O ATOM 0 H GLY A 63 -1.071 24.394 8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.894 22.191 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.283 21.475 8.520 1.00 0.00 H new ATOM 1010 N THR A 64 -2.981 23.909 9.475 1.00 0.00 N ATOM 1011 CA THR A 64 -4.167 24.401 10.167 1.00 0.00 C ATOM 1012 C THR A 64 -4.867 25.487 9.360 1.00 0.00 C ATOM 1013 O THR A 64 -4.226 26.394 8.835 1.00 0.00 O ATOM 1014 CB THR A 64 -3.817 24.956 11.559 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.250 23.913 12.364 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.061 25.501 12.245 1.00 0.00 C ATOM 0 H THR A 64 -2.167 24.519 9.552 1.00 0.00 H new ATOM 0 HA THR A 64 -4.838 23.550 10.282 1.00 0.00 H new ATOM 0 HB THR A 64 -3.096 25.765 11.440 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.026 24.268 13.249 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.794 25.889 13.228 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.487 26.303 11.642 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.794 24.702 12.357 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.190 25.383 9.262 1.00 0.00 N ATOM 1025 CA CYS A 65 -6.990 26.402 8.595 1.00 0.00 C ATOM 1026 C CYS A 65 -8.225 26.754 9.413 1.00 0.00 C ATOM 1027 O CYS A 65 -8.944 25.867 9.883 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.387 25.718 7.286 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.274 26.781 6.123 1.00 0.00 S ATOM 0 H CYS A 65 -6.729 24.602 9.637 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.455 27.341 8.452 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.487 25.341 6.800 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.010 24.854 7.517 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.561 26.106 5.050 1.00 0.00 H new ATOM 1035 N SER A 66 -8.470 28.048 9.583 1.00 0.00 N ATOM 1036 CA SER A 66 -9.592 28.516 10.389 1.00 0.00 C ATOM 1037 C SER A 66 -10.686 29.117 9.517 1.00 0.00 C ATOM 1038 O SER A 66 -10.406 29.823 8.548 1.00 0.00 O ATOM 1039 CB SER A 66 -9.113 29.531 11.409 1.00 0.00 C ATOM 1040 OG SER A 66 -10.175 30.105 12.119 1.00 0.00 O ATOM 0 H SER A 66 -7.906 28.793 9.173 1.00 0.00 H new ATOM 0 HA SER A 66 -10.015 27.658 10.912 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.430 29.048 12.107 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.550 30.315 10.903 1.00 0.00 H new ATOM 0 HG SER A 66 -9.824 30.751 12.767 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.934 28.832 9.870 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.076 29.476 9.229 1.00 0.00 C ATOM 1048 C LEU A 67 -13.822 30.372 10.209 1.00 0.00 C ATOM 1049 O LEU A 67 -14.325 29.906 11.230 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.022 28.418 8.646 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.313 28.969 8.026 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.981 29.882 6.854 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.194 27.814 7.577 1.00 0.00 C ATOM 0 H LEU A 67 -12.182 28.160 10.596 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.702 30.102 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.484 27.853 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.288 27.716 9.436 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.854 29.553 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.904 30.268 6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.368 30.713 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.433 29.319 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.111 28.206 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.662 27.217 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.442 27.190 8.436 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.888 31.664 9.891 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.576 32.625 10.742 1.00 0.00 C ATOM 1067 C HIS A 68 -15.852 33.134 10.078 1.00 0.00 C ATOM 1068 O HIS A 68 -15.836 33.557 8.921 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.656 33.801 11.083 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.355 34.932 11.769 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.867 34.826 13.046 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.630 36.192 11.357 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.425 35.975 13.389 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.294 36.819 12.382 1.00 0.00 N ATOM 0 H HIS A 68 -13.473 32.066 9.051 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.850 32.114 11.665 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.847 33.445 11.721 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.199 34.171 10.165 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.375 36.623 10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.906 36.187 14.332 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.632 37.781 12.368 1.00 0.00 H new ATOM 1082 N THR A 69 -16.954 33.091 10.820 1.00 0.00 N ATOM 1083 CA THR A 69 -18.201 33.700 10.371 1.00 0.00 C ATOM 1084 C THR A 69 -18.487 34.990 11.131 1.00 0.00 C ATOM 1085 O THR A 69 -18.639 34.984 12.352 1.00 0.00 O ATOM 1086 CB THR A 69 -19.394 32.742 10.542 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.171 31.554 9.770 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.683 33.406 10.081 1.00 0.00 C ATOM 0 H THR A 69 -17.009 32.641 11.734 1.00 0.00 H new ATOM 0 HA THR A 69 -18.077 33.923 9.311 1.00 0.00 H new ATOM 0 HB THR A 69 -19.486 32.487 11.598 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.579 31.657 8.885 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.515 32.714 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.862 34.303 10.674 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.596 33.678 9.029 1.00 0.00 H new ATOM 1096 N THR A 70 -18.552 36.098 10.400 1.00 0.00 N ATOM 1097 CA THR A 70 -18.724 37.410 11.012 1.00 0.00 C ATOM 1098 C THR A 70 -20.085 37.529 11.690 1.00 0.00 C ATOM 1099 O THR A 70 -20.189 38.042 12.805 1.00 0.00 O ATOM 1100 CB THR A 70 -18.579 38.540 9.975 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.253 38.523 9.431 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.840 39.893 10.621 1.00 0.00 C ATOM 0 H THR A 70 -18.488 36.113 9.382 1.00 0.00 H new ATOM 0 HA THR A 70 -17.938 37.512 11.761 1.00 0.00 H new ATOM 0 HB THR A 70 -19.308 38.381 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.161 39.241 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.733 40.680 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.851 39.913 11.027 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.123 40.057 11.425 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.120 37.051 11.009 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.484 37.169 11.516 1.00 0.00 C ATOM 1112 C ALA A 71 -23.302 35.925 11.188 1.00 0.00 C ATOM 1113 O ALA A 71 -23.998 35.877 10.172 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.155 38.410 10.946 1.00 0.00 C ATOM 0 H ALA A 71 -21.043 36.580 10.108 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.434 37.263 12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.171 38.484 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.590 39.295 11.237 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.185 38.340 9.859 1.00 0.00 H new ATOM 1120 N SER A 72 -23.211 34.918 12.050 1.00 0.00 N ATOM 1121 CA SER A 72 -23.895 33.652 11.824 1.00 0.00 C ATOM 1122 C SER A 72 -25.376 33.756 12.173 1.00 0.00 C ATOM 1123 O SER A 72 -25.743 33.818 13.344 1.00 0.00 O ATOM 1124 CB SER A 72 -23.237 32.551 12.633 1.00 0.00 C ATOM 1125 OG SER A 72 -23.869 31.314 12.450 1.00 0.00 O ATOM 0 H SER A 72 -22.669 34.955 12.913 1.00 0.00 H new ATOM 0 HA SER A 72 -23.817 33.408 10.765 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.189 32.468 12.346 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.259 32.816 13.690 1.00 0.00 H new ATOM 0 HG SER A 72 -23.282 30.719 11.939 1.00 0.00 H new ATOM 1131 N THR A 73 -26.218 33.770 11.146 1.00 0.00 N ATOM 1132 CA THR A 73 -27.658 33.870 11.342 1.00 0.00 C ATOM 1133 C THR A 73 -28.342 32.529 11.090 1.00 0.00 C ATOM 1134 O THR A 73 -27.690 31.546 10.740 1.00 0.00 O ATOM 1135 CB THR A 73 -28.279 34.933 10.418 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.143 34.521 9.051 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.590 36.275 10.609 1.00 0.00 C ATOM 0 H THR A 73 -25.928 33.713 10.170 1.00 0.00 H new ATOM 0 HA THR A 73 -27.816 34.166 12.379 1.00 0.00 H new ATOM 0 HB THR A 73 -29.334 35.039 10.670 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.201 34.332 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.043 37.014 9.948 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.702 36.598 11.644 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.530 36.177 10.373 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.659 32.499 11.275 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.426 31.272 11.101 1.00 0.00 C ATOM 1147 C LEU A 74 -30.329 30.759 9.668 1.00 0.00 C ATOM 1148 O LEU A 74 -30.480 29.565 9.416 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.892 31.507 11.486 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.142 31.765 12.978 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.602 32.135 13.206 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.768 30.527 13.779 1.00 0.00 C ATOM 0 H LEU A 74 -30.216 33.310 11.545 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.004 30.512 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.268 32.358 10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.475 30.638 11.181 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.523 32.598 13.311 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.770 32.316 14.268 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.841 33.036 12.642 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.241 31.318 12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.946 30.712 14.838 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.376 29.684 13.450 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.714 30.297 13.623 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.073 31.669 8.735 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.840 31.297 7.347 1.00 0.00 C ATOM 1166 C ASP A 75 -28.441 30.719 7.159 1.00 0.00 C ATOM 1167 O ASP A 75 -28.176 30.020 6.180 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.038 32.505 6.428 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.487 32.943 6.267 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.358 32.193 6.642 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.710 34.077 5.919 1.00 0.00 O1- ATOM 0 H ASP A 75 -30.022 32.671 8.917 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.565 30.528 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.460 33.342 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.631 32.268 5.445 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.554 31.018 8.100 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.194 30.487 8.065 1.00 0.00 C ATOM 1178 C ASP A 76 -26.089 29.188 8.850 1.00 0.00 C ATOM 1179 O ASP A 76 -25.130 28.428 8.687 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.207 31.519 8.620 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.126 32.809 7.816 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.891 32.736 6.633 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.457 33.839 8.353 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.750 31.624 8.896 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.943 30.276 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.491 31.761 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.215 31.069 8.662 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.076 28.931 9.700 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.146 27.673 10.437 1.00 0.00 C ATOM 1190 C ASP A 77 -27.099 26.478 9.493 1.00 0.00 C ATOM 1191 O ASP A 77 -27.843 26.419 8.513 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.417 27.622 11.289 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.524 26.397 12.186 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.844 25.431 11.924 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.162 26.487 13.208 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.840 29.577 9.897 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.277 27.622 11.094 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.460 28.517 11.910 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.284 27.651 10.629 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.222 25.529 9.794 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.088 24.323 8.982 1.00 0.00 C ATOM 1202 C GLY A 78 -24.748 23.642 9.227 1.00 0.00 C ATOM 1203 O GLY A 78 -24.197 23.710 10.325 1.00 0.00 O ATOM 0 H GLY A 78 -25.592 25.570 10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.898 23.632 9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.181 24.579 7.927 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.227 22.986 8.195 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.054 22.135 8.345 1.00 0.00 C ATOM 1209 C ASN A 79 -21.908 22.619 7.466 1.00 0.00 C ATOM 1210 O ASN A 79 -21.923 22.437 6.250 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.378 20.685 8.036 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.536 20.141 8.826 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.415 19.848 10.021 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.633 19.929 8.147 1.00 0.00 N ATOM 0 H ASN A 79 -24.599 23.028 7.246 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.740 22.198 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.599 20.590 6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.497 20.075 8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.440 19.503 8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.681 20.189 7.162 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.911 23.237 8.093 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.759 23.763 7.366 1.00 0.00 C ATOM 1223 C TYR A 80 -18.709 22.684 7.143 1.00 0.00 C ATOM 1224 O TYR A 80 -17.636 22.712 7.745 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.145 24.944 8.121 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.044 26.156 8.201 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.166 26.161 9.021 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.771 27.296 7.458 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.990 27.265 9.098 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.589 28.407 7.525 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.698 28.388 8.346 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.516 29.493 8.419 1.00 0.00 O ATOM 0 H TYR A 80 -20.877 23.386 9.102 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.108 24.106 6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.893 24.624 9.132 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.212 25.228 7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.397 25.285 9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.903 27.315 6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.857 27.252 9.741 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.362 29.285 6.939 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.449 29.205 8.497 1.00 0.00 H new ATOM 1242 N THR A 81 -19.024 21.729 6.273 1.00 0.00 N ATOM 1243 CA THR A 81 -18.191 20.545 6.095 1.00 0.00 C ATOM 1244 C THR A 81 -16.809 20.918 5.578 1.00 0.00 C ATOM 1245 O THR A 81 -16.678 21.709 4.640 1.00 0.00 O ATOM 1246 CB THR A 81 -18.837 19.540 5.124 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.127 19.157 5.618 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.966 18.303 4.980 1.00 0.00 C ATOM 0 H THR A 81 -19.853 21.753 5.679 1.00 0.00 H new ATOM 0 HA THR A 81 -18.095 20.078 7.075 1.00 0.00 H new ATOM 0 HB THR A 81 -18.940 20.015 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.538 18.519 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.438 17.604 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.988 18.590 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.846 17.827 5.953 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.777 20.345 6.189 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.406 20.573 5.752 1.00 0.00 C ATOM 1258 C ILE A 82 -13.863 19.368 4.995 1.00 0.00 C ATOM 1259 O ILE A 82 -14.118 18.221 5.367 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.479 20.882 6.940 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.017 20.911 6.484 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.673 19.857 8.048 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.040 21.263 7.583 1.00 0.00 C ATOM 0 H ILE A 82 -15.865 19.719 6.989 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.427 21.436 5.087 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.737 21.865 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.754 19.935 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.913 21.633 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.009 20.091 8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.708 19.883 8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.441 18.862 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.026 21.263 7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.275 22.252 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.113 20.528 8.384 1.00 0.00 H new ATOM 1275 N MET A 83 -13.115 19.629 3.928 1.00 0.00 N ATOM 1276 CA MET A 83 -12.581 18.569 3.086 1.00 0.00 C ATOM 1277 C MET A 83 -11.059 18.597 3.058 1.00 0.00 C ATOM 1278 O MET A 83 -10.454 19.589 2.649 1.00 0.00 O ATOM 1279 CB MET A 83 -13.138 18.692 1.669 1.00 0.00 C ATOM 1280 CG MET A 83 -12.648 17.621 0.704 1.00 0.00 C ATOM 1281 SD MET A 83 -13.235 15.973 1.140 1.00 0.00 S ATOM 1282 CE MET A 83 -14.950 16.080 0.637 1.00 0.00 C ATOM 0 H MET A 83 -12.865 20.571 3.626 1.00 0.00 H new ATOM 0 HA MET A 83 -12.890 17.614 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.226 18.652 1.715 1.00 0.00 H new ATOM 0 HB3 MET A 83 -12.872 19.671 1.271 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.981 17.866 -0.304 1.00 0.00 H new ATOM 0 HG3 MET A 83 -11.558 17.622 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.398 15.087 0.659 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.489 16.737 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 83 -15.008 16.482 -0.375 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.442 17.503 3.498 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.994 17.358 3.418 1.00 0.00 C ATOM 1294 C ALA A 84 -8.578 16.747 2.084 1.00 0.00 C ATOM 1295 O ALA A 84 -8.160 15.590 2.024 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.483 16.513 4.576 1.00 0.00 C ATOM 0 H ALA A 84 -10.923 16.705 3.913 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.548 18.350 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.400 16.413 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.741 16.995 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.942 15.525 4.536 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.694 17.530 1.017 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.411 17.039 -0.327 1.00 0.00 C ATOM 1304 C ALA A 85 -6.920 17.092 -0.632 1.00 0.00 C ATOM 1305 O ALA A 85 -6.291 18.145 -0.520 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.198 17.839 -1.355 1.00 0.00 C ATOM 0 H ALA A 85 -8.982 18.508 1.057 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.723 15.996 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.978 17.463 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.265 17.738 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.915 18.890 -1.292 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.363 15.950 -1.021 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.979 15.893 -1.481 1.00 0.00 C ATOM 1314 C ASN A 86 -4.799 14.819 -2.548 1.00 0.00 C ATOM 1315 O ASN A 86 -5.742 14.109 -2.890 1.00 0.00 O ATOM 1316 CB ASN A 86 -4.021 15.656 -0.328 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.999 14.234 0.158 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.735 13.374 -0.343 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.222 13.999 1.184 1.00 0.00 N ATOM 0 H ASN A 86 -6.847 15.052 -1.027 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.745 16.861 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.016 15.940 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.295 16.309 0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.204 13.072 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.634 14.743 1.559 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.580 14.711 -3.068 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.298 13.798 -4.168 1.00 0.00 C ATOM 1328 C PRO A 87 -3.624 12.362 -3.790 1.00 0.00 C ATOM 1329 O PRO A 87 -3.900 11.528 -4.654 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.804 14.001 -4.446 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.524 15.389 -3.982 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.396 15.592 -2.774 1.00 0.00 C ATOM 0 HA PRO A 87 -3.906 13.997 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.197 13.273 -3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.578 13.883 -5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.471 15.514 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.755 16.117 -4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.890 15.296 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.687 16.636 -2.656 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.596 12.076 -2.492 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.701 10.703 -2.008 1.00 0.00 C ATOM 1342 C GLN A 88 -5.142 10.353 -1.663 1.00 0.00 C ATOM 1343 O GLN A 88 -5.427 9.246 -1.206 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.811 10.497 -0.778 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.342 10.801 -1.015 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.745 9.946 -2.117 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.929 8.727 -2.145 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -0.020 10.583 -3.031 1.00 0.00 N ATOM 0 H GLN A 88 -3.502 12.776 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.365 10.043 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.176 11.130 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.907 9.464 -0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.229 11.854 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.786 10.638 -0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.106 11.593 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.410 10.062 -3.795 1.00 0.00 H new ATOM 1357 N GLY A 89 -6.046 11.299 -1.887 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.462 11.085 -1.612 1.00 0.00 C ATOM 1359 C GLY A 89 -8.086 12.302 -0.942 1.00 0.00 C ATOM 1360 O GLY A 89 -7.526 13.401 -0.990 1.00 0.00 O ATOM 0 H GLY A 89 -5.824 12.223 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.987 10.871 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.582 10.212 -0.970 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.243 12.105 -0.320 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.924 13.179 0.389 1.00 0.00 C ATOM 1366 C ARG A 90 -10.783 12.632 1.523 1.00 0.00 C ATOM 1367 O ARG A 90 -11.357 11.546 1.411 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.733 14.061 -0.549 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.909 13.371 -1.220 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.687 14.241 -2.139 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.865 13.612 -2.714 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.742 14.229 -3.529 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.602 15.499 -3.838 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.763 13.529 -3.992 1.00 0.00 N ATOM 0 H ARG A 90 -9.729 11.209 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.154 13.812 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.105 14.918 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.069 14.450 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.540 12.511 -1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.578 12.987 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.996 15.135 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.034 14.568 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.040 12.634 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.820 16.033 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.276 15.951 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.870 12.549 -3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.444 13.969 -4.611 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.870 13.388 2.611 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.707 13.008 3.742 1.00 0.00 C ATOM 1390 C VAL A 91 -12.533 14.190 4.238 1.00 0.00 C ATOM 1391 O VAL A 91 -12.003 15.275 4.467 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.864 12.459 4.910 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -11.763 12.043 6.065 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.016 11.284 4.446 1.00 0.00 C ATOM 0 H VAL A 91 -10.370 14.269 2.734 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.376 12.224 3.388 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.199 13.249 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.152 11.658 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.331 12.906 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.451 11.267 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.427 10.908 5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.665 10.491 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.348 11.610 3.649 1.00 0.00 H new ATOM 1404 N SER A 92 -13.834 13.970 4.399 1.00 0.00 N ATOM 1405 CA SER A 92 -14.737 15.020 4.856 1.00 0.00 C ATOM 1406 C SER A 92 -14.949 14.950 6.361 1.00 0.00 C ATOM 1407 O SER A 92 -14.760 13.902 6.978 1.00 0.00 O ATOM 1408 CB SER A 92 -16.064 14.916 4.130 1.00 0.00 C ATOM 1409 OG SER A 92 -16.752 13.740 4.455 1.00 0.00 O ATOM 0 H SER A 92 -14.286 13.074 4.220 1.00 0.00 H new ATOM 0 HA SER A 92 -14.281 15.983 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.682 15.778 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.892 14.949 3.054 1.00 0.00 H new ATOM 0 HG SER A 92 -17.602 13.713 3.968 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.343 16.073 6.950 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.771 16.098 8.345 1.00 0.00 C ATOM 1417 C CYS A 93 -16.794 17.201 8.587 1.00 0.00 C ATOM 1418 O CYS A 93 -16.583 18.353 8.207 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.472 16.395 9.092 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.648 16.500 10.889 1.00 0.00 S ATOM 0 H CYS A 93 -15.375 16.979 6.483 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.255 15.174 8.661 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.746 15.617 8.855 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -14.063 17.336 8.724 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.491 16.752 11.424 1.00 0.00 H new ATOM 1426 N THR A 94 -17.905 16.841 9.222 1.00 0.00 N ATOM 1427 CA THR A 94 -19.025 17.760 9.379 1.00 0.00 C ATOM 1428 C THR A 94 -18.659 18.926 10.288 1.00 0.00 C ATOM 1429 O THR A 94 -18.178 18.725 11.406 1.00 0.00 O ATOM 1430 CB THR A 94 -20.264 17.047 9.953 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.634 15.961 9.092 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.430 18.016 10.070 1.00 0.00 C ATOM 0 H THR A 94 -18.053 15.920 9.635 1.00 0.00 H new ATOM 0 HA THR A 94 -19.261 18.138 8.384 1.00 0.00 H new ATOM 0 HB THR A 94 -20.020 16.667 10.945 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.421 15.507 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.297 17.495 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.156 18.837 10.733 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.675 18.412 9.084 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.885 20.141 9.805 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.664 21.339 10.608 1.00 0.00 C ATOM 1442 C GLY A 95 -19.974 21.868 11.179 1.00 0.00 C ATOM 1443 O GLY A 95 -20.338 23.021 10.952 1.00 0.00 O ATOM 0 H GLY A 95 -19.222 20.324 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.975 21.113 11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.194 22.109 9.996 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.674 21.019 11.923 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.982 21.370 12.462 1.00 0.00 C ATOM 1449 C ARG A 96 -21.929 22.683 13.232 1.00 0.00 C ATOM 1450 O ARG A 96 -21.287 22.774 14.276 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.571 20.251 13.309 1.00 0.00 C ATOM 1452 CG ARG A 96 -23.974 20.515 13.832 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.580 19.373 14.563 1.00 0.00 C ATOM 1454 NE ARG A 96 -25.954 19.591 14.988 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.657 18.746 15.766 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.137 17.610 16.175 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -27.895 19.077 16.089 1.00 0.00 N ATOM 0 H ARG A 96 -20.356 20.081 12.167 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.651 21.510 11.613 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.586 19.336 12.717 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.911 20.071 14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.945 21.380 14.494 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.618 20.777 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.546 18.490 13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -23.971 19.156 15.441 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.418 20.444 14.675 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.187 17.357 15.903 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.684 16.982 16.764 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.294 19.953 15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.452 18.457 16.677 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.603 23.700 12.706 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.770 24.960 13.423 1.00 0.00 C ATOM 1473 C LEU A 97 -24.245 25.316 13.571 1.00 0.00 C ATOM 1474 O LEU A 97 -24.912 25.655 12.589 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.018 26.084 12.701 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.203 27.484 13.302 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.640 27.523 14.715 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.515 28.512 12.417 1.00 0.00 C ATOM 0 H LEU A 97 -23.043 23.677 11.786 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.351 24.841 14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.955 25.845 12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.342 26.107 11.661 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.266 27.721 13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -21.776 28.520 15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.163 26.795 15.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.577 27.282 14.690 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.647 29.506 12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.451 28.283 12.352 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.953 28.485 11.419 1.00 0.00 H new ATOM 1490 N MET A 98 -24.747 25.241 14.797 1.00 0.00 N ATOM 1491 CA MET A 98 -26.142 25.557 15.074 1.00 0.00 C ATOM 1492 C MET A 98 -26.295 26.987 15.576 1.00 0.00 C ATOM 1493 O MET A 98 -25.437 27.497 16.299 1.00 0.00 O ATOM 1494 CB MET A 98 -26.713 24.574 16.095 1.00 0.00 C ATOM 1495 CG MET A 98 -26.700 23.120 15.646 1.00 0.00 C ATOM 1496 SD MET A 98 -27.722 22.834 14.187 1.00 0.00 S ATOM 1497 CE MET A 98 -29.359 23.100 14.862 1.00 0.00 C ATOM 0 H MET A 98 -24.207 24.963 15.617 1.00 0.00 H new ATOM 0 HA MET A 98 -26.700 25.466 14.142 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.145 24.660 17.021 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.739 24.862 16.323 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.675 22.819 15.431 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.053 22.489 16.462 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.105 22.707 14.172 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.445 22.587 15.820 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.524 24.168 15.006 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.389 27.631 15.189 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.627 29.024 15.549 1.00 0.00 C ATOM 1509 C VAL A 99 -28.832 29.157 16.470 1.00 0.00 C ATOM 1510 O VAL A 99 -29.902 28.619 16.192 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.848 29.901 14.301 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.174 31.330 14.706 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.620 29.870 13.404 1.00 0.00 C ATOM 0 H VAL A 99 -28.127 27.210 14.625 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.735 29.370 16.071 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.693 29.499 13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.327 31.935 13.813 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.081 31.339 15.310 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.348 31.741 15.286 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.794 30.495 12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.758 30.248 13.954 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.427 28.845 13.087 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.650 29.877 17.573 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.683 29.991 18.593 1.00 0.00 C ATOM 1525 C GLN A 100 -30.408 31.327 18.493 1.00 0.00 C ATOM 1526 O GLN A 100 -29.852 32.315 18.010 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.078 29.834 19.990 1.00 0.00 C ATOM 1528 CG GLN A 100 -28.334 28.527 20.204 1.00 0.00 C ATOM 1529 CD GLN A 100 -29.244 27.319 20.088 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -30.278 27.237 20.756 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -28.862 26.370 19.240 1.00 0.00 N ATOM 0 H GLN A 100 -27.794 30.391 17.782 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.405 29.192 18.425 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.394 30.663 20.172 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -29.875 29.910 20.729 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -27.531 28.445 19.472 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -27.868 28.534 21.189 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -27.999 26.479 18.707 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -29.432 25.532 19.122 1.00 0.00 H new