USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 7:sc= 0.866 USER MOD Single : A 9 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.0039) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.421 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 35:sc= -0.612 USER MOD Single : A 16 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.037) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -72:sc= 1.12 USER MOD Single : A 27 SER OG : rot -72:sc= 0.671 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -51:sc= 0.978 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 CYS SG : rot 92:sc= -0.885 USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0264) USER MOD Single : A 43 SER OG : rot 26:sc= 1.16 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.0745 USER MOD Single : A 55 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.4) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -130:sc= -0.646! USER MOD Single : A 63 GLN : amide:sc= -0.655 K(o=-0.66,f=-3.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 152:sc= -1.31 (180deg=-2.04!) USER MOD Single : A 68 ASN : amide:sc=-0.00153 X(o=-0.0015,f=-0.1) USER MOD Single : A 74 ASN : amide:sc= 0.796 K(o=0.8,f=-0.037) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00016 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.477 14.266 0.154 1.00 0.00 N ATOM 78 CA HIS A 9 7.497 13.201 -0.025 1.00 0.00 C ATOM 79 C HIS A 9 6.602 13.075 1.205 1.00 0.00 C ATOM 80 O HIS A 9 6.832 13.728 2.223 1.00 0.00 O ATOM 81 CB HIS A 9 8.201 11.871 -0.295 1.00 0.00 C ATOM 82 CG HIS A 9 8.473 11.621 -1.747 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.396 12.342 -2.474 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.938 10.723 -2.606 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.416 11.899 -3.719 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.540 10.916 -3.825 1.00 0.00 N ATOM 0 HA HIS A 9 6.874 13.454 -0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.144 11.851 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.588 11.059 0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.179 9.990 -2.376 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.042 12.276 -4.514 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.343 10.386 -4.674 1.00 0.00 H new ATOM 94 N THR A 10 5.578 12.232 1.102 1.00 0.00 N ATOM 95 CA THR A 10 4.648 12.023 2.204 1.00 0.00 C ATOM 96 C THR A 10 4.328 10.542 2.380 1.00 0.00 C ATOM 97 O THR A 10 3.646 9.941 1.549 1.00 0.00 O ATOM 98 CB THR A 10 3.334 12.797 1.985 1.00 0.00 C ATOM 99 OG1 THR A 10 3.620 14.140 1.577 1.00 0.00 O ATOM 100 CG2 THR A 10 2.498 12.815 3.255 1.00 0.00 C ATOM 0 H THR A 10 5.373 11.684 0.267 1.00 0.00 H new ATOM 0 HA THR A 10 5.136 12.397 3.104 1.00 0.00 H new ATOM 0 HB THR A 10 2.766 12.292 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.110 14.766 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.575 13.367 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.258 11.793 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.060 13.298 4.054 1.00 0.00 H new ATOM 108 N LEU A 11 4.825 9.960 3.465 1.00 0.00 N ATOM 109 CA LEU A 11 4.592 8.548 3.751 1.00 0.00 C ATOM 110 C LEU A 11 3.348 8.366 4.615 1.00 0.00 C ATOM 111 O LEU A 11 2.987 9.247 5.397 1.00 0.00 O ATOM 112 CB LEU A 11 5.808 7.942 4.453 1.00 0.00 C ATOM 113 CG LEU A 11 7.117 7.959 3.663 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.305 8.090 4.603 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.243 6.703 2.813 1.00 0.00 C ATOM 0 H LEU A 11 5.392 10.443 4.162 1.00 0.00 H new ATOM 0 HA LEU A 11 4.433 8.032 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.965 8.477 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.576 6.909 4.711 1.00 0.00 H new ATOM 0 HG LEU A 11 7.108 8.823 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.228 8.100 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.221 9.018 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.319 7.245 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.180 6.732 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.230 5.824 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.408 6.652 2.114 1.00 0.00 H new ATOM 127 N LEU A 12 2.696 7.217 4.470 1.00 0.00 N ATOM 128 CA LEU A 12 1.493 6.918 5.238 1.00 0.00 C ATOM 129 C LEU A 12 1.717 5.719 6.154 1.00 0.00 C ATOM 130 O LEU A 12 2.545 4.853 5.869 1.00 0.00 O ATOM 131 CB LEU A 12 0.319 6.643 4.298 1.00 0.00 C ATOM 132 CG LEU A 12 -0.298 7.867 3.619 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.639 7.513 2.995 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.456 9.006 4.616 1.00 0.00 C ATOM 0 H LEU A 12 2.981 6.478 3.828 1.00 0.00 H new ATOM 0 HA LEU A 12 1.260 7.786 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.654 5.953 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.462 6.134 4.863 1.00 0.00 H new ATOM 0 HG LEU A 12 0.373 8.195 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.062 8.396 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.498 6.730 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.319 7.159 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.896 9.869 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.106 8.688 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.521 9.278 5.016 1.00 0.00 H new ATOM 146 N TYR A 13 0.973 5.674 7.253 1.00 0.00 N ATOM 147 CA TYR A 13 1.090 4.581 8.212 1.00 0.00 C ATOM 148 C TYR A 13 -0.252 3.881 8.407 1.00 0.00 C ATOM 149 O TYR A 13 -1.172 4.435 9.008 1.00 0.00 O ATOM 150 CB TYR A 13 1.605 5.104 9.553 1.00 0.00 C ATOM 151 CG TYR A 13 2.962 5.766 9.464 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.875 5.395 8.485 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.330 6.763 10.360 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.115 5.997 8.401 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.568 7.371 10.282 1.00 0.00 C ATOM 156 CZ TYR A 13 5.457 6.984 9.302 1.00 0.00 C ATOM 157 OH TYR A 13 6.692 7.587 9.220 1.00 0.00 O ATOM 0 H TYR A 13 0.282 6.382 7.503 1.00 0.00 H new ATOM 0 HA TYR A 13 1.802 3.858 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.887 5.819 9.955 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.660 4.276 10.260 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.611 4.623 7.778 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.637 7.067 11.130 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.813 5.697 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.838 8.145 10.985 1.00 0.00 H new ATOM 0 HH TYR A 13 6.774 8.261 9.927 1.00 0.00 H new ATOM 167 N VAL A 14 -0.355 2.659 7.894 1.00 0.00 N ATOM 168 CA VAL A 14 -1.583 1.882 8.013 1.00 0.00 C ATOM 169 C VAL A 14 -1.553 0.992 9.251 1.00 0.00 C ATOM 170 O VAL A 14 -0.492 0.527 9.668 1.00 0.00 O ATOM 171 CB VAL A 14 -1.813 1.003 6.769 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.191 0.361 6.817 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.643 1.824 5.499 1.00 0.00 C ATOM 0 H VAL A 14 0.397 2.186 7.392 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.402 2.596 8.102 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.068 0.208 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.336 -0.256 5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.272 -0.260 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.954 1.139 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.809 1.188 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.365 2.641 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.633 2.233 5.462 1.00 0.00 H new ATOM 183 N TYR A 15 -2.723 0.759 9.834 1.00 0.00 N ATOM 184 CA TYR A 15 -2.831 -0.074 11.026 1.00 0.00 C ATOM 185 C TYR A 15 -4.074 -0.956 10.963 1.00 0.00 C ATOM 186 O TYR A 15 -4.922 -0.791 10.087 1.00 0.00 O ATOM 187 CB TYR A 15 -2.874 0.799 12.281 1.00 0.00 C ATOM 188 CG TYR A 15 -1.750 1.808 12.356 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.865 3.052 11.749 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.573 1.516 13.035 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.840 3.976 11.815 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.457 2.434 13.107 1.00 0.00 C ATOM 193 CZ TYR A 15 0.319 3.663 12.495 1.00 0.00 C ATOM 194 OH TYR A 15 1.341 4.581 12.563 1.00 0.00 O ATOM 0 H TYR A 15 -3.611 1.135 9.501 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.953 -0.718 11.070 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.827 1.327 12.314 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.834 0.157 13.161 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.771 3.301 11.216 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.462 0.555 13.515 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.945 4.939 11.337 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.365 2.191 13.639 1.00 0.00 H new ATOM 0 HH TYR A 15 0.966 5.484 12.622 1.00 0.00 H new ATOM 204 N ASN A 16 -4.175 -1.893 11.901 1.00 0.00 N ATOM 205 CA ASN A 16 -5.314 -2.802 11.954 1.00 0.00 C ATOM 206 C ASN A 16 -5.399 -3.642 10.683 1.00 0.00 C ATOM 207 O ASN A 16 -6.442 -3.697 10.031 1.00 0.00 O ATOM 208 CB ASN A 16 -6.612 -2.015 12.146 1.00 0.00 C ATOM 209 CG ASN A 16 -6.949 -1.804 13.610 1.00 0.00 C ATOM 210 OD1 ASN A 16 -7.928 -2.351 14.118 1.00 0.00 O ATOM 211 ND2 ASN A 16 -6.137 -1.008 14.294 1.00 0.00 N ATOM 0 H ASN A 16 -3.482 -2.042 12.634 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.174 -3.472 12.802 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.523 -1.047 11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.431 -2.546 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.313 -0.828 15.283 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.337 -0.576 13.831 1.00 0.00 H new ATOM 218 N LEU A 17 -4.295 -4.295 10.338 1.00 0.00 N ATOM 219 CA LEU A 17 -4.244 -5.134 9.146 1.00 0.00 C ATOM 220 C LEU A 17 -4.486 -6.598 9.499 1.00 0.00 C ATOM 221 O LEU A 17 -4.202 -7.050 10.609 1.00 0.00 O ATOM 222 CB LEU A 17 -2.890 -4.983 8.449 1.00 0.00 C ATOM 223 CG LEU A 17 -2.628 -3.636 7.775 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.141 -3.444 7.526 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.408 -3.532 6.472 1.00 0.00 C ATOM 0 H LEU A 17 -3.423 -4.260 10.867 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.033 -4.808 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.104 -5.158 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.802 -5.766 7.696 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.968 -2.844 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.974 -2.480 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.606 -3.474 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.775 -4.240 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.210 -2.567 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.099 -4.331 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.474 -3.623 6.678 1.00 0.00 H new ATOM 237 N PRO A 18 -5.021 -7.360 8.533 1.00 0.00 N ATOM 238 CA PRO A 18 -5.311 -8.785 8.718 1.00 0.00 C ATOM 239 C PRO A 18 -4.043 -9.626 8.814 1.00 0.00 C ATOM 240 O PRO A 18 -3.541 -10.128 7.808 1.00 0.00 O ATOM 241 CB PRO A 18 -6.102 -9.152 7.460 1.00 0.00 C ATOM 242 CG PRO A 18 -5.667 -8.160 6.436 1.00 0.00 C ATOM 243 CD PRO A 18 -5.384 -6.888 7.186 1.00 0.00 C ATOM 0 HA PRO A 18 -5.849 -8.975 9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.886 -10.171 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.176 -9.094 7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.779 -8.508 5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.443 -8.007 5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.574 -6.322 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.255 -6.234 7.211 1.00 0.00 H new ATOM 251 N ALA A 19 -3.529 -9.777 10.030 1.00 0.00 N ATOM 252 CA ALA A 19 -2.321 -10.560 10.258 1.00 0.00 C ATOM 253 C ALA A 19 -2.462 -11.966 9.685 1.00 0.00 C ATOM 254 O ALA A 19 -1.512 -12.521 9.135 1.00 0.00 O ATOM 255 CB ALA A 19 -2.005 -10.623 11.745 1.00 0.00 C ATOM 0 H ALA A 19 -3.931 -9.367 10.873 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.496 -10.067 9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.100 -11.211 11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.852 -9.614 12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.836 -11.089 12.274 1.00 0.00 H new ATOM 261 N ASN A 20 -3.655 -12.538 9.819 1.00 0.00 N ATOM 262 CA ASN A 20 -3.920 -13.881 9.316 1.00 0.00 C ATOM 263 C ASN A 20 -3.768 -13.933 7.799 1.00 0.00 C ATOM 264 O ASN A 20 -3.112 -14.824 7.259 1.00 0.00 O ATOM 265 CB ASN A 20 -5.327 -14.329 9.714 1.00 0.00 C ATOM 266 CG ASN A 20 -5.415 -14.732 11.174 1.00 0.00 C ATOM 267 OD1 ASN A 20 -4.645 -15.569 11.645 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.355 -14.135 11.897 1.00 0.00 N ATOM 0 H ASN A 20 -4.453 -12.092 10.272 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.191 -14.559 9.760 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.031 -13.520 9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.628 -15.170 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.461 -14.364 12.885 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.971 -13.447 11.464 1.00 0.00 H new ATOM 275 N LYS A 21 -4.378 -12.971 7.115 1.00 0.00 N ATOM 276 CA LYS A 21 -4.310 -12.904 5.660 1.00 0.00 C ATOM 277 C LYS A 21 -2.863 -12.814 5.187 1.00 0.00 C ATOM 278 O LYS A 21 -2.206 -11.787 5.361 1.00 0.00 O ATOM 279 CB LYS A 21 -5.102 -11.699 5.147 1.00 0.00 C ATOM 280 CG LYS A 21 -6.578 -11.745 5.503 1.00 0.00 C ATOM 281 CD LYS A 21 -7.317 -12.792 4.687 1.00 0.00 C ATOM 282 CE LYS A 21 -7.426 -12.386 3.226 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.247 -13.349 2.442 1.00 0.00 N ATOM 0 H LYS A 21 -4.926 -12.226 7.546 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.749 -13.817 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.666 -10.788 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.000 -11.642 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.690 -11.964 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.025 -10.766 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.797 -13.747 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.315 -12.939 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.868 -11.392 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.428 -12.322 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.297 -13.037 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.812 -14.293 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.207 -13.392 2.840 1.00 0.00 H new ATOM 297 N ASP A 22 -2.373 -13.893 4.586 1.00 0.00 N ATOM 298 CA ASP A 22 -1.005 -13.934 4.085 1.00 0.00 C ATOM 299 C ASP A 22 -0.584 -12.573 3.539 1.00 0.00 C ATOM 300 O ASP A 22 -1.252 -12.006 2.675 1.00 0.00 O ATOM 301 CB ASP A 22 -0.870 -14.998 2.995 1.00 0.00 C ATOM 302 CG ASP A 22 -1.606 -16.278 3.340 1.00 0.00 C ATOM 303 OD1 ASP A 22 -1.072 -17.070 4.145 1.00 0.00 O ATOM 304 OD2 ASP A 22 -2.715 -16.488 2.806 1.00 0.00 O ATOM 0 H ASP A 22 -2.903 -14.751 4.434 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.348 -14.191 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.256 -14.602 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.185 -15.220 2.837 1.00 0.00 H new ATOM 309 N GLY A 23 0.527 -12.053 4.051 1.00 0.00 N ATOM 310 CA GLY A 23 1.017 -10.762 3.604 1.00 0.00 C ATOM 311 C GLY A 23 0.925 -10.596 2.100 1.00 0.00 C ATOM 312 O GLY A 23 0.449 -9.573 1.609 1.00 0.00 O ATOM 0 H GLY A 23 1.097 -12.503 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.444 -9.972 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.054 -10.642 3.917 1.00 0.00 H new ATOM 316 N LYS A 24 1.383 -11.605 1.366 1.00 0.00 N ATOM 317 CA LYS A 24 1.351 -11.567 -0.091 1.00 0.00 C ATOM 318 C LYS A 24 -0.016 -11.116 -0.594 1.00 0.00 C ATOM 319 O LYS A 24 -0.113 -10.327 -1.534 1.00 0.00 O ATOM 320 CB LYS A 24 1.688 -12.945 -0.665 1.00 0.00 C ATOM 321 CG LYS A 24 0.761 -14.048 -0.183 1.00 0.00 C ATOM 322 CD LYS A 24 0.910 -15.307 -1.020 1.00 0.00 C ATOM 323 CE LYS A 24 2.014 -16.205 -0.483 1.00 0.00 C ATOM 324 NZ LYS A 24 2.604 -17.058 -1.552 1.00 0.00 N ATOM 0 H LYS A 24 1.781 -12.459 1.757 1.00 0.00 H new ATOM 0 HA LYS A 24 2.098 -10.847 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.646 -12.896 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.713 -13.200 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.977 -14.276 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.272 -13.701 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.033 -15.853 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.130 -15.035 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.796 -15.591 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.614 -16.839 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.352 -17.655 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.864 -17.662 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.009 -16.453 -2.295 1.00 0.00 H new ATOM 338 N SER A 25 -1.070 -11.620 0.039 1.00 0.00 N ATOM 339 CA SER A 25 -2.433 -11.270 -0.347 1.00 0.00 C ATOM 340 C SER A 25 -2.776 -9.851 0.098 1.00 0.00 C ATOM 341 O SER A 25 -3.387 -9.086 -0.647 1.00 0.00 O ATOM 342 CB SER A 25 -3.428 -12.261 0.260 1.00 0.00 C ATOM 343 OG SER A 25 -3.624 -12.006 1.640 1.00 0.00 O ATOM 0 H SER A 25 -1.007 -12.272 0.821 1.00 0.00 H new ATOM 0 HA SER A 25 -2.500 -11.318 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.381 -12.192 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.062 -13.279 0.123 1.00 0.00 H new ATOM 0 HG SER A 25 -2.823 -12.272 2.139 1.00 0.00 H new ATOM 349 N VAL A 26 -2.376 -9.508 1.318 1.00 0.00 N ATOM 350 CA VAL A 26 -2.639 -8.181 1.864 1.00 0.00 C ATOM 351 C VAL A 26 -1.999 -7.097 1.004 1.00 0.00 C ATOM 352 O VAL A 26 -2.691 -6.252 0.435 1.00 0.00 O ATOM 353 CB VAL A 26 -2.116 -8.053 3.306 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.523 -6.716 3.906 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.621 -9.206 4.160 1.00 0.00 C ATOM 0 H VAL A 26 -1.869 -10.130 1.947 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.721 -8.048 1.866 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.027 -8.097 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.144 -6.644 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.107 -5.906 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.610 -6.638 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.242 -9.099 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.711 -9.196 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.273 -10.150 3.740 1.00 0.00 H new ATOM 365 N SER A 27 -0.673 -7.127 0.914 1.00 0.00 N ATOM 366 CA SER A 27 0.062 -6.144 0.126 1.00 0.00 C ATOM 367 C SER A 27 -0.715 -5.766 -1.131 1.00 0.00 C ATOM 368 O SER A 27 -1.178 -4.635 -1.271 1.00 0.00 O ATOM 369 CB SER A 27 1.438 -6.692 -0.256 1.00 0.00 C ATOM 370 OG SER A 27 1.345 -8.028 -0.717 1.00 0.00 O ATOM 0 H SER A 27 -0.086 -7.821 1.377 1.00 0.00 H new ATOM 0 HA SER A 27 0.192 -5.249 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.879 -6.066 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.103 -6.647 0.607 1.00 0.00 H new ATOM 0 HG SER A 27 1.158 -8.623 0.039 1.00 0.00 H new ATOM 376 N ASN A 28 -0.851 -6.721 -2.045 1.00 0.00 N ATOM 377 CA ASN A 28 -1.571 -6.489 -3.292 1.00 0.00 C ATOM 378 C ASN A 28 -2.770 -5.573 -3.066 1.00 0.00 C ATOM 379 O ASN A 28 -2.816 -4.456 -3.582 1.00 0.00 O ATOM 380 CB ASN A 28 -2.036 -7.818 -3.891 1.00 0.00 C ATOM 381 CG ASN A 28 -2.334 -7.711 -5.375 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.427 -7.753 -6.206 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.610 -7.570 -5.713 1.00 0.00 N ATOM 0 H ASN A 28 -0.472 -7.663 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.891 -6.001 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.267 -8.574 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.930 -8.157 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.872 -7.491 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.329 -7.540 -4.990 1.00 0.00 H new ATOM 390 N ARG A 29 -3.737 -6.054 -2.292 1.00 0.00 N ATOM 391 CA ARG A 29 -4.936 -5.278 -1.998 1.00 0.00 C ATOM 392 C ARG A 29 -4.585 -3.822 -1.710 1.00 0.00 C ATOM 393 O ARG A 29 -5.308 -2.907 -2.108 1.00 0.00 O ATOM 394 CB ARG A 29 -5.679 -5.881 -0.804 1.00 0.00 C ATOM 395 CG ARG A 29 -6.826 -5.019 -0.303 1.00 0.00 C ATOM 396 CD ARG A 29 -7.949 -4.937 -1.325 1.00 0.00 C ATOM 397 NE ARG A 29 -8.584 -6.234 -1.545 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.644 -6.409 -2.327 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.183 -5.377 -2.960 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.166 -7.620 -2.477 1.00 0.00 N ATOM 0 H ARG A 29 -3.714 -6.976 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.583 -5.310 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.067 -6.860 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.972 -6.040 0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.211 -5.430 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.460 -4.016 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.697 -4.220 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.554 -4.562 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.193 -7.049 -1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.784 -4.445 -2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.997 -5.515 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.754 -8.417 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.980 -7.754 -3.077 1.00 0.00 H new ATOM 414 N LEU A 30 -3.471 -3.613 -1.017 1.00 0.00 N ATOM 415 CA LEU A 30 -3.024 -2.267 -0.675 1.00 0.00 C ATOM 416 C LEU A 30 -2.371 -1.589 -1.876 1.00 0.00 C ATOM 417 O LEU A 30 -2.534 -0.387 -2.087 1.00 0.00 O ATOM 418 CB LEU A 30 -2.039 -2.318 0.494 1.00 0.00 C ATOM 419 CG LEU A 30 -2.645 -2.598 1.870 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.746 -4.096 2.114 1.00 0.00 C ATOM 421 CD2 LEU A 30 -1.819 -1.933 2.962 1.00 0.00 C ATOM 0 H LEU A 30 -2.861 -4.358 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.897 -1.684 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.295 -3.087 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.510 -1.366 0.539 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.650 -2.178 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.179 -4.276 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.380 -4.547 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.751 -4.540 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.265 -2.143 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.802 -2.324 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.798 -0.856 2.797 1.00 0.00 H new ATOM 433 N ARG A 31 -1.633 -2.368 -2.660 1.00 0.00 N ATOM 434 CA ARG A 31 -0.957 -1.843 -3.840 1.00 0.00 C ATOM 435 C ARG A 31 -1.929 -1.067 -4.724 1.00 0.00 C ATOM 436 O ARG A 31 -1.620 0.029 -5.190 1.00 0.00 O ATOM 437 CB ARG A 31 -0.322 -2.982 -4.639 1.00 0.00 C ATOM 438 CG ARG A 31 1.008 -3.454 -4.075 1.00 0.00 C ATOM 439 CD ARG A 31 1.632 -4.532 -4.948 1.00 0.00 C ATOM 440 NE ARG A 31 1.932 -4.044 -6.291 1.00 0.00 N ATOM 441 CZ ARG A 31 1.046 -4.023 -7.280 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.189 -4.461 -7.078 1.00 0.00 N ATOM 443 NH2 ARG A 31 1.394 -3.563 -8.475 1.00 0.00 N ATOM 0 H ARG A 31 -1.488 -3.365 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.174 -1.162 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.014 -3.824 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.175 -2.655 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.691 -2.608 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.860 -3.841 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.548 -4.892 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.953 -5.382 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 31 2.874 -3.700 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.461 -4.815 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.867 -4.444 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.343 -3.225 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.713 -3.547 -9.234 1.00 0.00 H new ATOM 457 N ARG A 32 -3.105 -1.645 -4.950 1.00 0.00 N ATOM 458 CA ARG A 32 -4.121 -1.008 -5.779 1.00 0.00 C ATOM 459 C ARG A 32 -4.530 0.342 -5.197 1.00 0.00 C ATOM 460 O ARG A 32 -4.560 1.351 -5.904 1.00 0.00 O ATOM 461 CB ARG A 32 -5.348 -1.914 -5.904 1.00 0.00 C ATOM 462 CG ARG A 32 -5.295 -2.848 -7.102 1.00 0.00 C ATOM 463 CD ARG A 32 -5.960 -2.229 -8.321 1.00 0.00 C ATOM 464 NE ARG A 32 -6.297 -3.230 -9.329 1.00 0.00 N ATOM 465 CZ ARG A 32 -6.484 -2.947 -10.613 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.366 -1.699 -11.044 1.00 0.00 N ATOM 467 NH2 ARG A 32 -6.789 -3.914 -11.470 1.00 0.00 N ATOM 0 H ARG A 32 -3.377 -2.552 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.696 -0.844 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.445 -2.508 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.241 -1.294 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.257 -3.085 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.789 -3.787 -6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.865 -1.706 -8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.294 -1.485 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.394 -4.200 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.131 -0.953 -10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.510 -1.484 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.880 -4.876 -11.143 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.932 -3.695 -12.456 1.00 0.00 H new ATOM 481 N LEU A 33 -4.845 0.353 -3.907 1.00 0.00 N ATOM 482 CA LEU A 33 -5.253 1.579 -3.230 1.00 0.00 C ATOM 483 C LEU A 33 -4.153 2.633 -3.301 1.00 0.00 C ATOM 484 O LEU A 33 -4.414 3.828 -3.169 1.00 0.00 O ATOM 485 CB LEU A 33 -5.602 1.287 -1.769 1.00 0.00 C ATOM 486 CG LEU A 33 -6.924 0.558 -1.528 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.844 -0.288 -0.267 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.072 1.553 -1.433 1.00 0.00 C ATOM 0 H LEU A 33 -4.826 -0.473 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.136 1.968 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.798 0.692 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.627 2.232 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.112 -0.103 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.794 -0.800 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.048 -1.025 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.633 0.353 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.005 1.017 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.891 2.240 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.143 2.116 -2.363 1.00 0.00 H new ATOM 500 N SER A 34 -2.921 2.181 -3.513 1.00 0.00 N ATOM 501 CA SER A 34 -1.780 3.084 -3.600 1.00 0.00 C ATOM 502 C SER A 34 -1.580 3.570 -5.033 1.00 0.00 C ATOM 503 O SER A 34 -1.304 4.746 -5.269 1.00 0.00 O ATOM 504 CB SER A 34 -0.511 2.387 -3.104 1.00 0.00 C ATOM 505 OG SER A 34 0.011 1.516 -4.092 1.00 0.00 O ATOM 0 H SER A 34 -2.688 1.195 -3.628 1.00 0.00 H new ATOM 0 HA SER A 34 -1.983 3.947 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.238 3.133 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.732 1.823 -2.198 1.00 0.00 H new ATOM 0 HG SER A 34 -0.701 0.927 -4.418 1.00 0.00 H new ATOM 511 N ASP A 35 -1.720 2.655 -5.986 1.00 0.00 N ATOM 512 CA ASP A 35 -1.556 2.988 -7.396 1.00 0.00 C ATOM 513 C ASP A 35 -2.662 3.930 -7.864 1.00 0.00 C ATOM 514 O ASP A 35 -2.467 4.722 -8.785 1.00 0.00 O ATOM 515 CB ASP A 35 -1.559 1.717 -8.246 1.00 0.00 C ATOM 516 CG ASP A 35 -1.459 2.012 -9.730 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.947 3.095 -10.086 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.891 1.161 -10.534 1.00 0.00 O ATOM 0 H ASP A 35 -1.947 1.677 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.598 3.493 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.725 1.082 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.473 1.155 -8.051 1.00 0.00 H new ATOM 523 N ASN A 36 -3.822 3.837 -7.223 1.00 0.00 N ATOM 524 CA ASN A 36 -4.959 4.680 -7.574 1.00 0.00 C ATOM 525 C ASN A 36 -4.857 6.043 -6.897 1.00 0.00 C ATOM 526 O ASN A 36 -5.248 7.062 -7.467 1.00 0.00 O ATOM 527 CB ASN A 36 -6.269 3.997 -7.175 1.00 0.00 C ATOM 528 CG ASN A 36 -6.808 3.095 -8.269 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.045 2.497 -9.028 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.129 2.993 -8.355 1.00 0.00 N ATOM 0 H ASN A 36 -4.000 3.186 -6.458 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.948 4.829 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.109 3.410 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.013 4.757 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.549 2.401 -9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.724 3.507 -7.705 1.00 0.00 H new ATOM 537 N CYS A 37 -4.328 6.053 -5.678 1.00 0.00 N ATOM 538 CA CYS A 37 -4.173 7.291 -4.922 1.00 0.00 C ATOM 539 C CYS A 37 -2.849 7.970 -5.255 1.00 0.00 C ATOM 540 O CYS A 37 -2.672 9.163 -5.013 1.00 0.00 O ATOM 541 CB CYS A 37 -4.253 7.009 -3.421 1.00 0.00 C ATOM 542 SG CYS A 37 -5.825 6.293 -2.887 1.00 0.00 S ATOM 0 H CYS A 37 -3.999 5.218 -5.192 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.984 7.963 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.445 6.331 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.087 7.939 -2.878 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.738 4.996 -2.901 1.00 0.00 H new ATOM 548 N GLY A 38 -1.918 7.199 -5.812 1.00 0.00 N ATOM 549 CA GLY A 38 -0.621 7.743 -6.167 1.00 0.00 C ATOM 550 C GLY A 38 0.425 7.494 -5.098 1.00 0.00 C ATOM 551 O GLY A 38 0.930 8.432 -4.483 1.00 0.00 O ATOM 0 H GLY A 38 -2.040 6.209 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.289 7.300 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.714 8.816 -6.337 1.00 0.00 H new ATOM 555 N GLY A 39 0.750 6.224 -4.875 1.00 0.00 N ATOM 556 CA GLY A 39 1.739 5.878 -3.871 1.00 0.00 C ATOM 557 C GLY A 39 2.340 4.505 -4.099 1.00 0.00 C ATOM 558 O GLY A 39 2.077 3.865 -5.118 1.00 0.00 O ATOM 0 H GLY A 39 0.346 5.429 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.533 6.624 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.277 5.910 -2.884 1.00 0.00 H new ATOM 562 N LYS A 40 3.152 4.051 -3.150 1.00 0.00 N ATOM 563 CA LYS A 40 3.793 2.745 -3.252 1.00 0.00 C ATOM 564 C LYS A 40 4.042 2.153 -1.868 1.00 0.00 C ATOM 565 O LYS A 40 4.823 2.690 -1.083 1.00 0.00 O ATOM 566 CB LYS A 40 5.115 2.862 -4.013 1.00 0.00 C ATOM 567 CG LYS A 40 5.685 1.524 -4.451 1.00 0.00 C ATOM 568 CD LYS A 40 6.713 1.690 -5.557 1.00 0.00 C ATOM 569 CE LYS A 40 8.068 2.103 -5.002 1.00 0.00 C ATOM 570 NZ LYS A 40 8.781 0.957 -4.373 1.00 0.00 N ATOM 0 H LYS A 40 3.382 4.568 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 40 3.124 2.080 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.964 3.489 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.844 3.369 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.145 1.027 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.877 0.880 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.813 0.753 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.366 2.440 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.679 2.515 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.933 2.895 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.756 1.238 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.288 0.678 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.798 0.154 -5.034 1.00 0.00 H new ATOM 584 N VAL A 41 3.374 1.041 -1.577 1.00 0.00 N ATOM 585 CA VAL A 41 3.525 0.373 -0.289 1.00 0.00 C ATOM 586 C VAL A 41 4.983 0.013 -0.025 1.00 0.00 C ATOM 587 O VAL A 41 5.472 -1.019 -0.487 1.00 0.00 O ATOM 588 CB VAL A 41 2.670 -0.905 -0.216 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.920 -1.786 -1.431 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.956 -1.665 1.070 1.00 0.00 C ATOM 0 H VAL A 41 2.723 0.584 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 41 3.183 1.073 0.473 1.00 0.00 H new ATOM 0 HB VAL A 41 1.619 -0.617 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.307 -2.684 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.660 -1.239 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.973 -2.067 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.343 -2.565 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.010 -1.942 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.721 -1.033 1.926 1.00 0.00 H new ATOM 600 N LEU A 42 5.672 0.869 0.722 1.00 0.00 N ATOM 601 CA LEU A 42 7.075 0.641 1.049 1.00 0.00 C ATOM 602 C LEU A 42 7.273 -0.742 1.662 1.00 0.00 C ATOM 603 O LEU A 42 8.085 -1.534 1.182 1.00 0.00 O ATOM 604 CB LEU A 42 7.575 1.716 2.016 1.00 0.00 C ATOM 605 CG LEU A 42 7.723 3.123 1.436 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.607 3.978 2.331 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.290 3.061 0.025 1.00 0.00 C ATOM 0 H LEU A 42 5.282 1.727 1.112 1.00 0.00 H new ATOM 0 HA LEU A 42 7.651 0.695 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.889 1.763 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.543 1.402 2.408 1.00 0.00 H new ATOM 0 HG LEU A 42 6.736 3.582 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.701 4.976 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.160 4.049 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.594 3.522 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.389 4.071 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.269 2.583 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.619 2.485 -0.612 1.00 0.00 H new ATOM 619 N SER A 43 6.525 -1.027 2.723 1.00 0.00 N ATOM 620 CA SER A 43 6.619 -2.313 3.402 1.00 0.00 C ATOM 621 C SER A 43 5.390 -2.560 4.272 1.00 0.00 C ATOM 622 O SER A 43 4.590 -1.654 4.505 1.00 0.00 O ATOM 623 CB SER A 43 7.885 -2.369 4.260 1.00 0.00 C ATOM 624 OG SER A 43 9.026 -2.648 3.468 1.00 0.00 O ATOM 0 H SER A 43 5.847 -0.384 3.131 1.00 0.00 H new ATOM 0 HA SER A 43 6.668 -3.094 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.020 -1.419 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.775 -3.136 5.027 1.00 0.00 H new ATOM 0 HG SER A 43 8.865 -2.355 2.547 1.00 0.00 H new ATOM 630 N ILE A 44 5.248 -3.792 4.748 1.00 0.00 N ATOM 631 CA ILE A 44 4.118 -4.159 5.593 1.00 0.00 C ATOM 632 C ILE A 44 4.572 -4.988 6.789 1.00 0.00 C ATOM 633 O ILE A 44 4.898 -6.168 6.654 1.00 0.00 O ATOM 634 CB ILE A 44 3.060 -4.952 4.804 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.529 -4.117 3.637 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.922 -5.374 5.722 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.098 -4.946 2.448 1.00 0.00 C ATOM 0 H ILE A 44 5.901 -4.553 4.563 1.00 0.00 H new ATOM 0 HA ILE A 44 3.674 -3.229 5.947 1.00 0.00 H new ATOM 0 HB ILE A 44 3.527 -5.850 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.683 -3.523 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.302 -3.417 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.182 -5.934 5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.314 -6.002 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.454 -4.489 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.733 -4.288 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.947 -5.520 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.303 -5.628 2.749 1.00 0.00 H new ATOM 649 N THR A 45 4.590 -4.363 7.963 1.00 0.00 N ATOM 650 CA THR A 45 5.003 -5.043 9.184 1.00 0.00 C ATOM 651 C THR A 45 3.814 -5.291 10.105 1.00 0.00 C ATOM 652 O THR A 45 2.945 -4.433 10.257 1.00 0.00 O ATOM 653 CB THR A 45 6.067 -4.231 9.947 1.00 0.00 C ATOM 654 OG1 THR A 45 5.458 -3.104 10.587 1.00 0.00 O ATOM 655 CG2 THR A 45 7.162 -3.755 9.004 1.00 0.00 C ATOM 0 H THR A 45 4.323 -3.387 8.093 1.00 0.00 H new ATOM 0 HA THR A 45 5.432 -5.999 8.883 1.00 0.00 H new ATOM 0 HB THR A 45 6.514 -4.878 10.702 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.141 -2.594 11.071 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.902 -3.184 9.565 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.643 -4.616 8.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.726 -3.123 8.230 1.00 0.00 H new ATOM 663 N GLY A 46 3.781 -6.470 10.718 1.00 0.00 N ATOM 664 CA GLY A 46 2.693 -6.809 11.617 1.00 0.00 C ATOM 665 C GLY A 46 1.347 -6.343 11.100 1.00 0.00 C ATOM 666 O GLY A 46 1.041 -6.497 9.917 1.00 0.00 O ATOM 0 H GLY A 46 4.488 -7.197 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.669 -7.889 11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.879 -6.360 12.593 1.00 0.00 H new ATOM 670 N CYS A 47 0.540 -5.772 11.987 1.00 0.00 N ATOM 671 CA CYS A 47 -0.783 -5.283 11.614 1.00 0.00 C ATOM 672 C CYS A 47 -0.711 -3.842 11.120 1.00 0.00 C ATOM 673 O CYS A 47 -1.700 -3.111 11.162 1.00 0.00 O ATOM 674 CB CYS A 47 -1.739 -5.380 12.804 1.00 0.00 C ATOM 675 SG CYS A 47 -1.159 -4.525 14.288 1.00 0.00 S ATOM 0 H CYS A 47 0.778 -5.636 12.969 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.159 -5.907 10.803 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.706 -4.968 12.514 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.900 -6.431 13.043 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.036 -4.662 15.238 1.00 0.00 H new ATOM 681 N SER A 48 0.467 -3.441 10.653 1.00 0.00 N ATOM 682 CA SER A 48 0.670 -2.085 10.155 1.00 0.00 C ATOM 683 C SER A 48 1.404 -2.102 8.818 1.00 0.00 C ATOM 684 O SER A 48 2.003 -3.107 8.438 1.00 0.00 O ATOM 685 CB SER A 48 1.460 -1.259 11.173 1.00 0.00 C ATOM 686 OG SER A 48 2.642 -1.932 11.568 1.00 0.00 O ATOM 0 H SER A 48 1.295 -4.035 10.609 1.00 0.00 H new ATOM 0 HA SER A 48 -0.308 -1.628 10.007 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.716 -0.291 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.839 -1.064 12.048 1.00 0.00 H new ATOM 0 HG SER A 48 2.755 -2.741 11.026 1.00 0.00 H new ATOM 692 N ALA A 49 1.352 -0.979 8.108 1.00 0.00 N ATOM 693 CA ALA A 49 2.012 -0.863 6.813 1.00 0.00 C ATOM 694 C ALA A 49 2.505 0.560 6.575 1.00 0.00 C ATOM 695 O ALA A 49 2.123 1.487 7.289 1.00 0.00 O ATOM 696 CB ALA A 49 1.068 -1.290 5.699 1.00 0.00 C ATOM 0 H ALA A 49 0.860 -0.137 8.408 1.00 0.00 H new ATOM 0 HA ALA A 49 2.878 -1.525 6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.574 -1.198 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.768 -2.326 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.184 -0.652 5.706 1.00 0.00 H new ATOM 702 N ILE A 50 3.356 0.725 5.568 1.00 0.00 N ATOM 703 CA ILE A 50 3.901 2.036 5.236 1.00 0.00 C ATOM 704 C ILE A 50 3.918 2.258 3.727 1.00 0.00 C ATOM 705 O ILE A 50 4.411 1.421 2.971 1.00 0.00 O ATOM 706 CB ILE A 50 5.329 2.207 5.785 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.325 2.127 7.313 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.920 3.530 5.320 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.704 1.964 7.913 1.00 0.00 C ATOM 0 H ILE A 50 3.683 -0.032 4.968 1.00 0.00 H new ATOM 0 HA ILE A 50 3.250 2.776 5.702 1.00 0.00 H new ATOM 0 HB ILE A 50 5.950 1.398 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.867 3.031 7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.701 1.289 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.930 3.637 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.953 3.551 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.301 4.352 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.625 1.914 8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.157 1.045 7.540 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.325 2.815 7.633 1.00 0.00 H new ATOM 721 N LEU A 51 3.378 3.393 3.296 1.00 0.00 N ATOM 722 CA LEU A 51 3.332 3.728 1.877 1.00 0.00 C ATOM 723 C LEU A 51 4.110 5.009 1.594 1.00 0.00 C ATOM 724 O LEU A 51 4.389 5.791 2.503 1.00 0.00 O ATOM 725 CB LEU A 51 1.882 3.886 1.416 1.00 0.00 C ATOM 726 CG LEU A 51 0.986 2.659 1.588 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.307 2.681 2.949 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.050 2.594 0.475 1.00 0.00 C ATOM 0 H LEU A 51 2.966 4.097 3.909 1.00 0.00 H new ATOM 0 HA LEU A 51 3.796 2.913 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.436 4.716 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.885 4.164 0.362 1.00 0.00 H new ATOM 0 HG LEU A 51 1.610 1.767 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.327 1.800 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.064 2.679 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.304 3.580 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.679 1.714 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.669 3.490 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.455 2.531 -0.489 1.00 0.00 H new ATOM 740 N ARG A 52 4.455 5.218 0.328 1.00 0.00 N ATOM 741 CA ARG A 52 5.200 6.405 -0.074 1.00 0.00 C ATOM 742 C ARG A 52 4.444 7.183 -1.148 1.00 0.00 C ATOM 743 O ARG A 52 4.284 6.712 -2.274 1.00 0.00 O ATOM 744 CB ARG A 52 6.585 6.013 -0.594 1.00 0.00 C ATOM 745 CG ARG A 52 7.354 7.170 -1.210 1.00 0.00 C ATOM 746 CD ARG A 52 8.162 7.922 -0.165 1.00 0.00 C ATOM 747 NE ARG A 52 9.238 8.707 -0.764 1.00 0.00 N ATOM 748 CZ ARG A 52 10.275 9.176 -0.080 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.377 8.939 1.220 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.214 9.882 -0.697 1.00 0.00 N ATOM 0 H ARG A 52 4.231 4.581 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 52 5.315 7.044 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.168 5.597 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.475 5.224 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.021 6.793 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.657 7.854 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.502 8.582 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.584 7.212 0.546 1.00 0.00 H new ATOM 0 HE ARG A 52 9.190 8.906 -1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.658 8.395 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.175 9.300 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.140 10.065 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.010 10.242 -0.171 1.00 0.00 H new ATOM 764 N PHE A 53 3.981 8.376 -0.791 1.00 0.00 N ATOM 765 CA PHE A 53 3.241 9.219 -1.722 1.00 0.00 C ATOM 766 C PHE A 53 4.080 10.417 -2.158 1.00 0.00 C ATOM 767 O PHE A 53 4.873 10.948 -1.380 1.00 0.00 O ATOM 768 CB PHE A 53 1.938 9.702 -1.081 1.00 0.00 C ATOM 769 CG PHE A 53 0.970 8.592 -0.782 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.071 7.865 0.393 1.00 0.00 C ATOM 771 CD2 PHE A 53 -0.040 8.277 -1.676 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.182 6.844 0.672 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.932 7.257 -1.403 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.820 6.539 -0.228 1.00 0.00 C ATOM 0 H PHE A 53 4.105 8.781 0.137 1.00 0.00 H new ATOM 0 HA PHE A 53 3.006 8.623 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.171 10.229 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.460 10.421 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.854 8.099 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.132 8.834 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.271 6.286 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.716 7.022 -2.108 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.515 5.741 -0.014 1.00 0.00 H new ATOM 784 N ILE A 54 3.900 10.835 -3.406 1.00 0.00 N ATOM 785 CA ILE A 54 4.640 11.970 -3.945 1.00 0.00 C ATOM 786 C ILE A 54 4.560 13.172 -3.010 1.00 0.00 C ATOM 787 O ILE A 54 5.581 13.739 -2.624 1.00 0.00 O ATOM 788 CB ILE A 54 4.113 12.377 -5.333 1.00 0.00 C ATOM 789 CG1 ILE A 54 4.861 13.610 -5.845 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.617 12.646 -5.274 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.088 13.275 -6.664 1.00 0.00 C ATOM 0 H ILE A 54 3.249 10.405 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 54 5.679 11.654 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 54 4.287 11.555 -6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.183 14.211 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.158 14.224 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.260 12.933 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.098 11.745 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.420 13.454 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.568 14.196 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.786 12.700 -6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.795 12.687 -7.534 1.00 0.00 H new ATOM 803 N ASN A 55 3.340 13.555 -2.649 1.00 0.00 N ATOM 804 CA ASN A 55 3.126 14.689 -1.758 1.00 0.00 C ATOM 805 C ASN A 55 1.933 14.444 -0.841 1.00 0.00 C ATOM 806 O ASN A 55 1.277 13.406 -0.925 1.00 0.00 O ATOM 807 CB ASN A 55 2.905 15.967 -2.570 1.00 0.00 C ATOM 808 CG ASN A 55 1.922 15.767 -3.707 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.741 15.503 -3.482 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.406 15.892 -4.937 1.00 0.00 N ATOM 0 H ASN A 55 2.484 13.096 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 55 4.017 14.807 -1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.539 16.754 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.859 16.307 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.792 15.768 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.392 16.112 -5.077 1.00 0.00 H new ATOM 817 N GLN A 56 1.658 15.406 0.034 1.00 0.00 N ATOM 818 CA GLN A 56 0.543 15.293 0.967 1.00 0.00 C ATOM 819 C GLN A 56 -0.737 14.891 0.241 1.00 0.00 C ATOM 820 O GLN A 56 -1.283 13.813 0.476 1.00 0.00 O ATOM 821 CB GLN A 56 0.331 16.617 1.703 1.00 0.00 C ATOM 822 CG GLN A 56 -0.986 16.689 2.459 1.00 0.00 C ATOM 823 CD GLN A 56 -1.054 17.875 3.401 1.00 0.00 C ATOM 824 OE1 GLN A 56 -0.945 19.026 2.978 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.236 17.599 4.688 1.00 0.00 N ATOM 0 H GLN A 56 2.191 16.272 0.116 1.00 0.00 H new ATOM 0 HA GLN A 56 0.786 14.516 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.152 16.769 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.372 17.434 0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.808 16.749 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.125 15.770 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.321 16.630 4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.290 18.356 5.369 1.00 0.00 H new ATOM 834 N ASP A 57 -1.209 15.764 -0.642 1.00 0.00 N ATOM 835 CA ASP A 57 -2.424 15.499 -1.403 1.00 0.00 C ATOM 836 C ASP A 57 -2.563 14.010 -1.706 1.00 0.00 C ATOM 837 O ASP A 57 -3.430 13.333 -1.155 1.00 0.00 O ATOM 838 CB ASP A 57 -2.419 16.299 -2.707 1.00 0.00 C ATOM 839 CG ASP A 57 -3.817 16.647 -3.179 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.735 16.691 -2.333 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.994 16.875 -4.393 1.00 0.00 O ATOM 0 H ASP A 57 -0.769 16.661 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.276 15.809 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.848 17.216 -2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.910 15.724 -3.481 1.00 0.00 H new ATOM 846 N SER A 58 -1.702 13.508 -2.586 1.00 0.00 N ATOM 847 CA SER A 58 -1.731 12.100 -2.966 1.00 0.00 C ATOM 848 C SER A 58 -1.971 11.214 -1.747 1.00 0.00 C ATOM 849 O SER A 58 -2.843 10.346 -1.760 1.00 0.00 O ATOM 850 CB SER A 58 -0.419 11.707 -3.647 1.00 0.00 C ATOM 851 OG SER A 58 -0.315 12.295 -4.932 1.00 0.00 O ATOM 0 H SER A 58 -0.976 14.055 -3.049 1.00 0.00 H new ATOM 0 HA SER A 58 -2.553 11.954 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.423 12.022 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.362 10.622 -3.734 1.00 0.00 H new ATOM 0 HG SER A 58 -0.077 11.607 -5.588 1.00 0.00 H new ATOM 857 N ALA A 59 -1.190 11.440 -0.696 1.00 0.00 N ATOM 858 CA ALA A 59 -1.317 10.664 0.531 1.00 0.00 C ATOM 859 C ALA A 59 -2.724 10.778 1.109 1.00 0.00 C ATOM 860 O ALA A 59 -3.345 9.774 1.457 1.00 0.00 O ATOM 861 CB ALA A 59 -0.286 11.119 1.553 1.00 0.00 C ATOM 0 H ALA A 59 -0.462 12.154 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.135 9.617 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.393 10.531 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.716 10.980 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.441 12.173 1.782 1.00 0.00 H new ATOM 867 N GLU A 60 -3.220 12.007 1.209 1.00 0.00 N ATOM 868 CA GLU A 60 -4.553 12.251 1.747 1.00 0.00 C ATOM 869 C GLU A 60 -5.595 11.401 1.025 1.00 0.00 C ATOM 870 O GLU A 60 -6.251 10.555 1.633 1.00 0.00 O ATOM 871 CB GLU A 60 -4.914 13.733 1.624 1.00 0.00 C ATOM 872 CG GLU A 60 -3.953 14.656 2.355 1.00 0.00 C ATOM 873 CD GLU A 60 -4.618 15.932 2.831 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.408 16.514 2.058 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.349 16.349 3.977 1.00 0.00 O ATOM 0 H GLU A 60 -2.719 12.849 0.925 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.548 11.972 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.936 14.007 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.920 13.887 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.530 14.130 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.124 14.908 1.694 1.00 0.00 H new ATOM 882 N ARG A 61 -5.741 11.633 -0.276 1.00 0.00 N ATOM 883 CA ARG A 61 -6.703 10.891 -1.081 1.00 0.00 C ATOM 884 C ARG A 61 -6.688 9.409 -0.718 1.00 0.00 C ATOM 885 O ARG A 61 -7.682 8.706 -0.896 1.00 0.00 O ATOM 886 CB ARG A 61 -6.397 11.066 -2.569 1.00 0.00 C ATOM 887 CG ARG A 61 -6.279 12.518 -3.001 1.00 0.00 C ATOM 888 CD ARG A 61 -5.955 12.635 -4.482 1.00 0.00 C ATOM 889 NE ARG A 61 -4.518 12.744 -4.721 1.00 0.00 N ATOM 890 CZ ARG A 61 -3.930 12.361 -5.849 1.00 0.00 C ATOM 891 NH1 ARG A 61 -4.651 11.849 -6.836 1.00 0.00 N ATOM 892 NH2 ARG A 61 -2.617 12.492 -5.992 1.00 0.00 N ATOM 0 H ARG A 61 -5.205 12.329 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.696 11.288 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.466 10.550 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.183 10.585 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.213 13.038 -2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.501 13.010 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.345 11.764 -5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.459 13.509 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.934 13.135 -3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.661 11.748 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.196 11.556 -7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.058 12.887 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.166 12.198 -6.858 1.00 0.00 H new ATOM 906 N ALA A 62 -5.553 8.942 -0.208 1.00 0.00 N ATOM 907 CA ALA A 62 -5.409 7.545 0.182 1.00 0.00 C ATOM 908 C ALA A 62 -5.706 7.355 1.666 1.00 0.00 C ATOM 909 O ALA A 62 -6.262 6.335 2.071 1.00 0.00 O ATOM 910 CB ALA A 62 -4.009 7.047 -0.146 1.00 0.00 C ATOM 0 H ALA A 62 -4.720 9.511 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.133 6.959 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.916 6.002 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.833 7.137 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.274 7.644 0.394 1.00 0.00 H new ATOM 916 N GLN A 63 -5.330 8.344 2.471 1.00 0.00 N ATOM 917 CA GLN A 63 -5.555 8.284 3.910 1.00 0.00 C ATOM 918 C GLN A 63 -7.037 8.441 4.236 1.00 0.00 C ATOM 919 O GLN A 63 -7.508 7.973 5.273 1.00 0.00 O ATOM 920 CB GLN A 63 -4.746 9.371 4.620 1.00 0.00 C ATOM 921 CG GLN A 63 -4.804 9.280 6.136 1.00 0.00 C ATOM 922 CD GLN A 63 -5.967 10.054 6.723 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.688 10.751 6.008 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.157 9.936 8.032 1.00 0.00 N ATOM 0 H GLN A 63 -4.869 9.196 2.151 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.225 7.307 4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.706 9.306 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.115 10.348 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.883 8.234 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.872 9.659 6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.535 9.347 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.925 10.434 8.483 1.00 0.00 H new ATOM 933 N LYS A 64 -7.766 9.104 3.346 1.00 0.00 N ATOM 934 CA LYS A 64 -9.195 9.324 3.537 1.00 0.00 C ATOM 935 C LYS A 64 -10.006 8.177 2.943 1.00 0.00 C ATOM 936 O LYS A 64 -11.149 7.943 3.336 1.00 0.00 O ATOM 937 CB LYS A 64 -9.619 10.647 2.898 1.00 0.00 C ATOM 938 CG LYS A 64 -9.580 10.629 1.379 1.00 0.00 C ATOM 939 CD LYS A 64 -10.910 10.185 0.793 1.00 0.00 C ATOM 940 CE LYS A 64 -11.877 11.351 0.657 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.925 11.086 -0.367 1.00 0.00 N ATOM 0 H LYS A 64 -7.391 9.499 2.484 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.390 9.367 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.630 10.891 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.967 11.441 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.332 11.624 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.790 9.957 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.745 9.732 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.351 9.418 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.350 11.544 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.325 12.251 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.564 11.904 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.475 10.927 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.469 10.242 -0.097 1.00 0.00 H new ATOM 955 N ARG A 65 -9.407 7.463 1.995 1.00 0.00 N ATOM 956 CA ARG A 65 -10.074 6.340 1.347 1.00 0.00 C ATOM 957 C ARG A 65 -9.859 5.052 2.136 1.00 0.00 C ATOM 958 O ARG A 65 -10.809 4.459 2.646 1.00 0.00 O ATOM 959 CB ARG A 65 -9.557 6.168 -0.082 1.00 0.00 C ATOM 960 CG ARG A 65 -9.616 4.734 -0.583 1.00 0.00 C ATOM 961 CD ARG A 65 -11.048 4.225 -0.647 1.00 0.00 C ATOM 962 NE ARG A 65 -11.196 3.127 -1.598 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.028 3.262 -2.909 1.00 0.00 C ATOM 964 NH1 ARG A 65 -10.707 4.442 -3.421 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.180 2.216 -3.710 1.00 0.00 N ATOM 0 H ARG A 65 -8.461 7.642 1.659 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.143 6.553 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.141 6.801 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.526 6.519 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.163 4.674 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.030 4.093 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.359 3.892 0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.711 5.042 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.442 2.206 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.588 5.249 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.579 4.543 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.426 1.306 -3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.051 2.321 -4.716 1.00 0.00 H new ATOM 979 N MET A 66 -8.604 4.625 2.231 1.00 0.00 N ATOM 980 CA MET A 66 -8.265 3.407 2.958 1.00 0.00 C ATOM 981 C MET A 66 -8.896 3.409 4.347 1.00 0.00 C ATOM 982 O MET A 66 -9.553 2.447 4.741 1.00 0.00 O ATOM 983 CB MET A 66 -6.746 3.263 3.075 1.00 0.00 C ATOM 984 CG MET A 66 -6.079 2.806 1.788 1.00 0.00 C ATOM 985 SD MET A 66 -4.415 2.166 2.059 1.00 0.00 S ATOM 986 CE MET A 66 -3.433 3.411 1.226 1.00 0.00 C ATOM 0 H MET A 66 -7.806 5.104 1.814 1.00 0.00 H new ATOM 0 HA MET A 66 -8.661 2.559 2.400 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.320 4.221 3.375 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.517 2.550 3.867 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.690 2.033 1.321 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.034 3.642 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.447 3.466 1.688 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.327 3.147 0.174 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.927 4.379 1.309 1.00 0.00 H new ATOM 996 N GLU A 67 -8.691 4.497 5.083 1.00 0.00 N ATOM 997 CA GLU A 67 -9.239 4.622 6.429 1.00 0.00 C ATOM 998 C GLU A 67 -10.650 4.045 6.497 1.00 0.00 C ATOM 999 O GLU A 67 -11.057 3.494 7.519 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.255 6.090 6.862 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.247 6.942 6.088 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.619 8.215 6.822 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.829 9.181 6.774 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.701 8.246 7.445 1.00 0.00 O ATOM 0 H GLU A 67 -8.150 5.303 4.771 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.601 4.057 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.494 6.144 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.256 6.508 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.821 7.198 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.149 6.360 5.897 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.390 4.175 5.401 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.756 3.668 5.337 1.00 0.00 C ATOM 1013 C ASN A 68 -12.806 2.335 4.595 1.00 0.00 C ATOM 1014 O ASN A 68 -13.750 1.561 4.754 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.667 4.684 4.646 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.053 5.830 5.560 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.633 6.969 5.357 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.858 5.533 6.574 1.00 0.00 N ATOM 0 H ASN A 68 -11.067 4.627 4.545 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.108 3.510 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.162 5.080 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.569 4.181 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.152 6.263 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.182 4.575 6.704 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.784 2.076 3.786 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.713 0.837 3.020 1.00 0.00 C ATOM 1027 C GLU A 69 -11.544 -0.366 3.945 1.00 0.00 C ATOM 1028 O GLU A 69 -11.294 -0.212 5.140 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.554 0.894 2.023 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.599 -0.205 0.974 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.987 -0.408 0.400 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.600 0.591 -0.034 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.461 -1.563 0.384 1.00 0.00 O ATOM 0 H GLU A 69 -10.995 2.706 3.644 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.649 0.724 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.563 1.863 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.613 0.826 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.909 0.040 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.253 -1.139 1.417 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.684 -1.561 3.382 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.547 -2.790 4.155 1.00 0.00 C ATOM 1042 C ASP A 70 -10.599 -3.764 3.462 1.00 0.00 C ATOM 1043 O ASP A 70 -11.022 -4.591 2.655 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.914 -3.446 4.357 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.533 -3.907 3.052 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.415 -3.174 2.047 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.135 -5.001 3.035 1.00 0.00 O ATOM 0 H ASP A 70 -11.892 -1.705 2.394 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.129 -2.534 5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.809 -4.299 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.585 -2.738 4.844 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.313 -3.659 3.783 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.304 -4.530 3.192 1.00 0.00 C ATOM 1054 C VAL A 71 -8.862 -5.927 2.943 1.00 0.00 C ATOM 1055 O VAL A 71 -8.687 -6.495 1.865 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.059 -4.639 4.092 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.454 -5.049 5.503 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.060 -5.623 3.502 1.00 0.00 C ATOM 0 H VAL A 71 -8.946 -2.979 4.449 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.017 -4.082 2.241 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.583 -3.660 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.561 -5.121 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.129 -4.304 5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.955 -6.017 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.186 -5.688 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.524 -6.606 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.753 -5.281 2.513 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.535 -6.477 3.949 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.119 -7.809 3.840 1.00 0.00 C ATOM 1070 C PHE A 72 -10.977 -8.128 5.061 1.00 0.00 C ATOM 1071 O PHE A 72 -10.459 -8.382 6.148 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.018 -8.860 3.687 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.625 -9.113 2.259 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.587 -9.380 1.299 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.293 -9.085 1.878 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.229 -9.613 -0.016 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.929 -9.316 0.565 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.898 -9.582 -0.383 1.00 0.00 C ATOM 0 H PHE A 72 -9.689 -6.021 4.848 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.756 -7.829 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.139 -8.538 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.355 -9.795 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.629 -9.407 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.531 -8.880 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.989 -9.819 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.888 -9.289 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.615 -9.765 -1.409 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.293 -8.111 4.873 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.202 -8.400 5.967 1.00 0.00 C ATOM 1090 C GLY A 73 -12.753 -7.776 7.273 1.00 0.00 C ATOM 1091 O GLY A 73 -13.119 -8.244 8.351 1.00 0.00 O ATOM 0 H GLY A 73 -12.746 -7.902 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.197 -8.033 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.283 -9.480 6.093 1.00 0.00 H new ATOM 1095 N ASN A 74 -11.957 -6.716 7.179 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.455 -6.029 8.363 1.00 0.00 C ATOM 1097 C ASN A 74 -11.060 -4.593 8.031 1.00 0.00 C ATOM 1098 O ASN A 74 -10.190 -4.356 7.193 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.255 -6.779 8.944 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.316 -5.865 9.708 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -9.684 -5.299 10.737 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.096 -5.716 9.205 1.00 0.00 N ATOM 0 H ASN A 74 -11.646 -6.314 6.295 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.253 -6.006 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.610 -7.568 9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.708 -7.264 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.421 -5.113 9.675 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.834 -6.205 8.349 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.703 -3.639 8.696 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.419 -2.227 8.472 1.00 0.00 C ATOM 1111 C ARG A 75 -9.976 -1.897 8.842 1.00 0.00 C ATOM 1112 O ARG A 75 -9.410 -2.489 9.762 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.377 -1.356 9.288 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.678 -0.013 8.643 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.066 0.485 9.015 1.00 0.00 C ATOM 1116 NE ARG A 75 -14.048 1.300 10.227 1.00 0.00 N ATOM 1117 CZ ARG A 75 -15.046 2.099 10.590 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.135 2.189 9.838 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -14.955 2.810 11.707 1.00 0.00 N ATOM 0 H ARG A 75 -12.424 -3.818 9.394 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.562 -2.018 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.312 -1.897 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.949 -1.187 10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.932 0.718 8.956 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.601 -0.103 7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.474 1.070 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.730 -0.367 9.161 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.225 1.253 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.208 1.644 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.899 2.803 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.119 2.743 12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.721 3.423 11.985 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.387 -0.950 8.119 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.011 -0.542 8.372 1.00 0.00 C ATOM 1135 C ILE A 76 -7.933 0.939 8.727 1.00 0.00 C ATOM 1136 O ILE A 76 -8.818 1.719 8.375 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.110 -0.814 7.153 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.709 -0.176 5.897 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.923 -2.311 6.955 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.773 -0.188 4.709 1.00 0.00 C ATOM 0 H ILE A 76 -9.841 -0.451 7.354 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.656 -1.135 9.215 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.133 -0.367 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.625 -0.704 5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.987 0.854 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.284 -2.487 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.458 -2.740 7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.893 -2.780 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.263 0.280 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.866 0.365 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.514 -1.217 4.460 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.868 1.319 9.425 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.674 2.707 9.825 1.00 0.00 C ATOM 1154 C ILE A 77 -5.445 3.307 9.150 1.00 0.00 C ATOM 1155 O ILE A 77 -4.440 2.625 8.948 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.521 2.837 11.353 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.724 2.211 12.062 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.368 4.298 11.747 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.519 2.027 13.550 1.00 0.00 C ATOM 0 H ILE A 77 -6.127 0.686 9.725 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.563 3.253 9.509 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.623 2.302 11.661 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.599 2.840 11.899 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.938 1.242 11.610 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.261 4.374 12.829 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.483 4.714 11.265 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.250 4.855 11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.411 1.579 13.987 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.663 1.374 13.721 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.335 2.996 14.014 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.532 4.587 8.805 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.426 5.281 8.155 1.00 0.00 C ATOM 1173 C VAL A 78 -4.099 6.586 8.871 1.00 0.00 C ATOM 1174 O VAL A 78 -4.975 7.424 9.087 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.743 5.583 6.679 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.507 6.104 5.962 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.287 4.343 5.986 1.00 0.00 C ATOM 0 H VAL A 78 -6.357 5.165 8.965 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.563 4.617 8.205 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.509 6.358 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.751 6.312 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.166 7.020 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.717 5.354 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.506 4.575 4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.546 3.545 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.200 4.019 6.485 1.00 0.00 H new ATOM 1187 N SER A 79 -2.832 6.753 9.237 1.00 0.00 N ATOM 1188 CA SER A 79 -2.390 7.956 9.933 1.00 0.00 C ATOM 1189 C SER A 79 -1.061 8.451 9.370 1.00 0.00 C ATOM 1190 O SER A 79 -0.232 7.661 8.919 1.00 0.00 O ATOM 1191 CB SER A 79 -2.252 7.683 11.431 1.00 0.00 C ATOM 1192 OG SER A 79 -2.532 8.847 12.190 1.00 0.00 O ATOM 0 H SER A 79 -2.094 6.071 9.063 1.00 0.00 H new ATOM 0 HA SER A 79 -3.141 8.731 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.933 6.883 11.722 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.242 7.337 11.649 1.00 0.00 H new ATOM 0 HG SER A 79 -2.438 8.645 13.144 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.866 9.765 9.399 1.00 0.00 N ATOM 1199 CA PHE A 80 0.361 10.368 8.892 1.00 0.00 C ATOM 1200 C PHE A 80 1.491 10.242 9.910 1.00 0.00 C ATOM 1201 O PHE A 80 2.669 10.249 9.552 1.00 0.00 O ATOM 1202 CB PHE A 80 0.129 11.841 8.551 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.484 12.054 7.197 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.654 11.401 6.840 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.108 12.907 6.279 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.219 11.594 5.594 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.453 13.104 5.032 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.619 12.448 4.689 1.00 0.00 C ATOM 0 H PHE A 80 -1.542 10.433 9.768 1.00 0.00 H new ATOM 0 HA PHE A 80 0.650 9.834 7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.519 12.283 9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.081 12.371 8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.129 10.734 7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.019 13.424 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.129 11.077 5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.020 13.770 4.326 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.061 12.602 3.716 1.00 0.00 H new ATOM 1218 N THR A 81 1.123 10.127 11.182 1.00 0.00 N ATOM 1219 CA THR A 81 2.103 10.001 12.253 1.00 0.00 C ATOM 1220 C THR A 81 2.060 8.611 12.877 1.00 0.00 C ATOM 1221 O THR A 81 1.063 7.894 12.787 1.00 0.00 O ATOM 1222 CB THR A 81 1.871 11.053 13.354 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.467 11.266 13.540 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.545 12.369 12.996 1.00 0.00 C ATOM 0 H THR A 81 0.152 10.119 11.496 1.00 0.00 H new ATOM 0 HA THR A 81 3.083 10.165 11.805 1.00 0.00 H new ATOM 0 HB THR A 81 2.308 10.679 14.280 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.328 11.935 14.243 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.367 13.096 13.788 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.617 12.210 12.884 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.134 12.745 12.059 1.00 0.00 H new ATOM 1232 N PRO A 82 3.166 8.219 13.527 1.00 0.00 N ATOM 1233 CA PRO A 82 3.279 6.911 14.180 1.00 0.00 C ATOM 1234 C PRO A 82 2.396 6.804 15.418 1.00 0.00 C ATOM 1235 O PRO A 82 2.264 7.759 16.184 1.00 0.00 O ATOM 1236 CB PRO A 82 4.757 6.836 14.570 1.00 0.00 C ATOM 1237 CG PRO A 82 5.190 8.256 14.693 1.00 0.00 C ATOM 1238 CD PRO A 82 4.392 9.022 13.674 1.00 0.00 C ATOM 0 HA PRO A 82 2.954 6.100 13.528 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.892 6.299 15.509 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.339 6.309 13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.005 8.635 15.698 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.259 8.356 14.506 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.171 10.034 14.014 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.928 9.113 12.729 1.00 0.00 H new ATOM 1246 N LYS A 83 1.792 5.636 15.610 1.00 0.00 N ATOM 1247 CA LYS A 83 0.922 5.402 16.756 1.00 0.00 C ATOM 1248 C LYS A 83 1.659 4.637 17.851 1.00 0.00 C ATOM 1249 O LYS A 83 2.734 4.086 17.620 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.324 4.624 16.326 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.095 5.287 15.198 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.580 4.977 15.281 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.864 3.517 14.965 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.239 3.117 15.374 1.00 0.00 N ATOM 0 H LYS A 83 1.890 4.836 14.985 1.00 0.00 H new ATOM 0 HA LYS A 83 0.619 6.370 17.154 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.027 3.623 16.013 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.984 4.506 17.186 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.945 6.366 15.238 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.704 4.946 14.239 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.946 5.212 16.280 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.125 5.614 14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.739 3.346 13.896 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.136 2.887 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.393 2.115 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.351 3.256 16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.935 3.701 14.868 1.00 0.00 H new