USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 404 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 18 HIS :FLIP no HD1:sc= -1.35! C(o=-2.1!,f=-1.1!) USER MOD Set 1.2: A 39 TYR OH : rot -30:sc= 0.28 USER MOD Single : A 1 VAL N :NH3+ -157:sc= -0.17 (180deg=-1.06) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 12 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=-0.073) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -10:sc= 1.21 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0322 (180deg=-0.313) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.00321 K(o=0.0032,f=-1.7) USER MOD Single : A 45 GLN : amide:sc=-0.00404 X(o=-0.004,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.656 18.035 7.377 1.00 0.00 N ATOM 2 CA VAL A 1 5.242 17.200 8.526 1.00 0.00 C ATOM 3 C VAL A 1 3.857 16.699 8.308 1.00 0.00 C ATOM 4 O VAL A 1 3.077 17.354 7.616 1.00 0.00 O ATOM 5 CB VAL A 1 5.363 17.980 9.802 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.233 17.052 11.021 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.720 18.701 9.885 1.00 0.00 C ATOM 0 H1 VAL A 1 6.694 18.061 7.323 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.273 17.631 6.498 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.292 19.001 7.501 1.00 0.00 H new ATOM 0 HA VAL A 1 5.901 16.336 8.610 1.00 0.00 H new ATOM 0 HB VAL A 1 4.558 18.715 9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.324 17.638 11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.261 16.559 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.022 16.300 10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.779 19.258 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.525 17.967 9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.818 19.389 9.046 1.00 0.00 H new ATOM 19 N VAL A 2 3.479 15.514 8.820 1.00 0.00 N ATOM 20 CA VAL A 2 2.160 14.982 8.667 1.00 0.00 C ATOM 21 C VAL A 2 1.270 15.457 9.763 1.00 0.00 C ATOM 22 O VAL A 2 1.570 15.331 10.949 1.00 0.00 O ATOM 23 CB VAL A 2 2.140 13.486 8.567 1.00 0.00 C ATOM 24 CG1 VAL A 2 2.869 13.051 7.283 1.00 0.00 C ATOM 25 CG2 VAL A 2 2.775 12.777 9.774 1.00 0.00 C ATOM 0 H VAL A 2 4.105 14.911 9.353 1.00 0.00 H new ATOM 0 HA VAL A 2 1.779 15.358 7.717 1.00 0.00 H new ATOM 0 HB VAL A 2 1.091 13.190 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.856 11.964 7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.367 13.481 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.901 13.400 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.724 11.698 9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.817 13.082 9.868 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.235 13.048 10.681 1.00 0.00 H new ATOM 35 N SER A 3 0.132 16.071 9.394 1.00 0.00 N ATOM 36 CA SER A 3 -0.794 16.661 10.311 1.00 0.00 C ATOM 37 C SER A 3 -2.137 16.029 10.196 1.00 0.00 C ATOM 38 O SER A 3 -2.740 15.622 11.189 1.00 0.00 O ATOM 39 CB SER A 3 -0.985 18.173 10.106 1.00 0.00 C ATOM 40 OG SER A 3 0.253 18.864 10.193 1.00 0.00 O ATOM 0 H SER A 3 -0.155 16.160 8.419 1.00 0.00 H new ATOM 0 HA SER A 3 -0.356 16.492 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.439 18.356 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.674 18.560 10.857 1.00 0.00 H new ATOM 0 HG SER A 3 0.103 19.823 10.057 1.00 0.00 H new ATOM 46 N HIS A 4 -2.689 15.927 8.973 1.00 0.00 N ATOM 47 CA HIS A 4 -3.911 15.233 8.709 1.00 0.00 C ATOM 48 C HIS A 4 -3.711 14.219 7.635 1.00 0.00 C ATOM 49 O HIS A 4 -2.843 14.357 6.775 1.00 0.00 O ATOM 50 CB HIS A 4 -5.062 16.180 8.328 1.00 0.00 C ATOM 51 CG HIS A 4 -5.672 16.870 9.512 1.00 0.00 C ATOM 52 ND1 HIS A 4 -5.276 18.089 9.996 1.00 0.00 N ATOM 53 CD2 HIS A 4 -6.689 16.449 10.310 1.00 0.00 C ATOM 54 CE1 HIS A 4 -6.016 18.402 11.043 1.00 0.00 C ATOM 55 NE2 HIS A 4 -6.879 17.425 11.252 1.00 0.00 N ATOM 0 H HIS A 4 -2.270 16.342 8.140 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.196 14.735 9.636 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.691 16.930 7.629 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.834 15.613 7.808 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.240 15.525 10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.930 19.305 11.630 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.576 17.401 11.996 1.00 0.00 H new ATOM 64 N PHE A 5 -4.518 13.143 7.643 1.00 0.00 N ATOM 65 CA PHE A 5 -4.422 12.068 6.705 1.00 0.00 C ATOM 66 C PHE A 5 -5.367 12.285 5.573 1.00 0.00 C ATOM 67 O PHE A 5 -6.560 12.504 5.775 1.00 0.00 O ATOM 68 CB PHE A 5 -4.697 10.752 7.452 1.00 0.00 C ATOM 69 CG PHE A 5 -4.597 9.513 6.630 1.00 0.00 C ATOM 70 CD1 PHE A 5 -3.485 9.250 5.866 1.00 0.00 C ATOM 71 CD2 PHE A 5 -5.625 8.600 6.656 1.00 0.00 C ATOM 72 CE1 PHE A 5 -3.405 8.093 5.127 1.00 0.00 C ATOM 73 CE2 PHE A 5 -5.547 7.435 5.930 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.431 7.179 5.168 1.00 0.00 C ATOM 0 H PHE A 5 -5.264 13.017 8.327 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.423 12.021 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.996 10.673 8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.697 10.801 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.669 9.957 5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.503 8.800 7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.536 7.902 4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.359 6.724 5.958 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.361 6.261 4.603 1.00 0.00 H new ATOM 84 N ASN A 6 -4.863 12.281 4.326 1.00 0.00 N ATOM 85 CA ASN A 6 -5.606 12.636 3.158 1.00 0.00 C ATOM 86 C ASN A 6 -5.964 11.437 2.350 1.00 0.00 C ATOM 87 O ASN A 6 -5.404 10.356 2.529 1.00 0.00 O ATOM 88 CB ASN A 6 -4.809 13.629 2.294 1.00 0.00 C ATOM 89 CG ASN A 6 -4.539 14.897 3.091 1.00 0.00 C ATOM 90 OD1 ASN A 6 -5.396 15.412 3.807 1.00 0.00 O ATOM 91 ND2 ASN A 6 -3.305 15.457 2.964 1.00 0.00 N ATOM 0 H ASN A 6 -3.898 12.020 4.124 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.530 13.109 3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.868 13.178 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.367 13.868 1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.080 16.316 3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.605 15.018 2.366 1.00 0.00 H new ATOM 98 N ASP A 7 -6.916 11.575 1.411 1.00 0.00 N ATOM 99 CA ASP A 7 -7.460 10.514 0.621 1.00 0.00 C ATOM 100 C ASP A 7 -6.659 10.191 -0.593 1.00 0.00 C ATOM 101 O ASP A 7 -6.743 10.851 -1.629 1.00 0.00 O ATOM 102 CB ASP A 7 -8.949 10.728 0.299 1.00 0.00 C ATOM 103 CG ASP A 7 -9.369 12.076 -0.267 1.00 0.00 C ATOM 104 OD1 ASP A 7 -8.615 13.085 -0.254 1.00 0.00 O ATOM 105 OD2 ASP A 7 -10.561 12.152 -0.670 1.00 0.00 O ATOM 0 H ASP A 7 -7.330 12.481 1.190 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.393 9.627 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.251 9.958 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.517 10.558 1.214 1.00 0.00 H new ATOM 110 N CYS A 8 -5.836 9.131 -0.517 1.00 0.00 N ATOM 111 CA CYS A 8 -4.945 8.730 -1.559 1.00 0.00 C ATOM 112 C CYS A 8 -5.504 7.830 -2.609 1.00 0.00 C ATOM 113 O CYS A 8 -5.448 8.253 -3.762 1.00 0.00 O ATOM 114 CB CYS A 8 -3.611 8.190 -1.014 1.00 0.00 C ATOM 115 SG CYS A 8 -2.305 8.079 -2.271 1.00 0.00 S ATOM 0 H CYS A 8 -5.790 8.529 0.305 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.762 9.666 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.271 8.836 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.776 7.202 -0.585 1.00 0.00 H new ATOM 120 N PRO A 9 -5.996 6.646 -2.395 1.00 0.00 N ATOM 121 CA PRO A 9 -6.163 5.668 -3.431 1.00 0.00 C ATOM 122 C PRO A 9 -7.432 5.818 -4.198 1.00 0.00 C ATOM 123 O PRO A 9 -8.149 4.845 -4.426 1.00 0.00 O ATOM 124 CB PRO A 9 -6.135 4.354 -2.653 1.00 0.00 C ATOM 125 CG PRO A 9 -6.859 4.697 -1.341 1.00 0.00 C ATOM 126 CD PRO A 9 -6.365 6.130 -1.086 1.00 0.00 C ATOM 0 HA PRO A 9 -5.395 5.752 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.643 3.556 -3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.114 4.017 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.943 4.649 -1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.586 4.019 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.144 6.739 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.513 6.138 -0.406 1.00 0.00 H new ATOM 134 N LEU A 10 -7.768 7.034 -4.663 1.00 0.00 N ATOM 135 CA LEU A 10 -8.910 7.306 -5.479 1.00 0.00 C ATOM 136 C LEU A 10 -8.749 6.765 -6.857 1.00 0.00 C ATOM 137 O LEU A 10 -9.690 6.255 -7.464 1.00 0.00 O ATOM 138 CB LEU A 10 -9.196 8.818 -5.513 1.00 0.00 C ATOM 139 CG LEU A 10 -9.332 9.472 -4.128 1.00 0.00 C ATOM 140 CD1 LEU A 10 -9.663 10.968 -4.264 1.00 0.00 C ATOM 141 CD2 LEU A 10 -10.399 8.809 -3.242 1.00 0.00 C ATOM 0 H LEU A 10 -7.217 7.868 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.765 6.798 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.393 9.315 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.115 8.989 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.366 9.336 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.755 11.412 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.866 11.469 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.603 11.085 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.442 9.320 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.371 8.875 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.142 7.761 -3.085 1.00 0.00 H new ATOM 153 N SER A 11 -7.513 6.847 -7.380 1.00 0.00 N ATOM 154 CA SER A 11 -7.098 6.361 -8.660 1.00 0.00 C ATOM 155 C SER A 11 -6.676 4.933 -8.622 1.00 0.00 C ATOM 156 O SER A 11 -6.436 4.343 -7.570 1.00 0.00 O ATOM 157 CB SER A 11 -5.928 7.214 -9.177 1.00 0.00 C ATOM 158 OG SER A 11 -4.921 7.388 -8.191 1.00 0.00 O ATOM 0 H SER A 11 -6.747 7.286 -6.869 1.00 0.00 H new ATOM 0 HA SER A 11 -7.958 6.434 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.495 6.740 -10.058 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.301 8.189 -9.491 1.00 0.00 H new ATOM 0 HG SER A 11 -4.194 7.934 -8.558 1.00 0.00 H new ATOM 164 N HIS A 12 -6.551 4.300 -9.803 1.00 0.00 N ATOM 165 CA HIS A 12 -6.062 2.963 -9.939 1.00 0.00 C ATOM 166 C HIS A 12 -4.591 2.878 -9.724 1.00 0.00 C ATOM 167 O HIS A 12 -3.852 3.824 -9.995 1.00 0.00 O ATOM 168 CB HIS A 12 -6.414 2.381 -11.318 1.00 0.00 C ATOM 169 CG HIS A 12 -6.045 0.939 -11.506 1.00 0.00 C ATOM 170 ND1 HIS A 12 -5.116 0.501 -12.412 1.00 0.00 N ATOM 171 CD2 HIS A 12 -6.473 -0.161 -10.828 1.00 0.00 C ATOM 172 CE1 HIS A 12 -4.970 -0.805 -12.291 1.00 0.00 C ATOM 173 NE2 HIS A 12 -5.776 -1.226 -11.334 1.00 0.00 N ATOM 0 H HIS A 12 -6.799 4.734 -10.692 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.553 2.375 -9.164 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.486 2.491 -11.480 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.913 2.972 -12.085 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.216 -0.189 -10.045 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.305 -1.424 -12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.866 -2.193 -11.021 1.00 0.00 H new ATOM 182 N ASP A 13 -4.102 1.735 -9.210 1.00 0.00 N ATOM 183 CA ASP A 13 -2.732 1.511 -8.865 1.00 0.00 C ATOM 184 C ASP A 13 -1.801 1.434 -10.026 1.00 0.00 C ATOM 185 O ASP A 13 -2.192 1.230 -11.175 1.00 0.00 O ATOM 186 CB ASP A 13 -2.621 0.237 -8.011 1.00 0.00 C ATOM 187 CG ASP A 13 -1.674 0.397 -6.830 1.00 0.00 C ATOM 188 OD1 ASP A 13 -0.650 1.123 -6.937 1.00 0.00 O ATOM 189 OD2 ASP A 13 -2.003 -0.187 -5.763 1.00 0.00 O ATOM 0 H ASP A 13 -4.694 0.925 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.416 2.389 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.610 -0.035 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.277 -0.586 -8.638 1.00 0.00 H new ATOM 194 N GLY A 14 -0.497 1.616 -9.755 1.00 0.00 N ATOM 195 CA GLY A 14 0.541 1.674 -10.738 1.00 0.00 C ATOM 196 C GLY A 14 1.599 0.659 -10.475 1.00 0.00 C ATOM 197 O GLY A 14 1.644 -0.399 -11.100 1.00 0.00 O ATOM 0 H GLY A 14 -0.149 1.728 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.116 1.510 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.984 2.670 -10.743 1.00 0.00 H new ATOM 201 N TYR A 15 2.504 0.949 -9.522 1.00 0.00 N ATOM 202 CA TYR A 15 3.679 0.178 -9.262 1.00 0.00 C ATOM 203 C TYR A 15 3.417 -0.983 -8.365 1.00 0.00 C ATOM 204 O TYR A 15 3.911 -2.088 -8.587 1.00 0.00 O ATOM 205 CB TYR A 15 4.737 1.098 -8.628 1.00 0.00 C ATOM 206 CG TYR A 15 6.116 0.653 -8.977 1.00 0.00 C ATOM 207 CD1 TYR A 15 6.685 -0.446 -8.378 1.00 0.00 C ATOM 208 CD2 TYR A 15 6.825 1.334 -9.938 1.00 0.00 C ATOM 209 CE1 TYR A 15 7.939 -0.874 -8.746 1.00 0.00 C ATOM 210 CE2 TYR A 15 8.089 0.926 -10.296 1.00 0.00 C ATOM 211 CZ TYR A 15 8.642 -0.185 -9.705 1.00 0.00 C ATOM 212 OH TYR A 15 9.938 -0.584 -10.094 1.00 0.00 O ATOM 0 H TYR A 15 2.412 1.757 -8.906 1.00 0.00 H new ATOM 0 HA TYR A 15 4.032 -0.230 -10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.585 2.122 -8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.617 1.103 -7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.142 -0.978 -7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.386 2.197 -10.416 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.370 -1.749 -8.283 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.645 1.477 -11.040 1.00 0.00 H new ATOM 0 HH TYR A 15 10.274 0.025 -10.785 1.00 0.00 H new ATOM 222 N CYS A 16 2.601 -0.788 -7.314 1.00 0.00 N ATOM 223 CA CYS A 16 2.434 -1.742 -6.263 1.00 0.00 C ATOM 224 C CYS A 16 1.350 -2.704 -6.609 1.00 0.00 C ATOM 225 O CYS A 16 0.365 -2.348 -7.252 1.00 0.00 O ATOM 226 CB CYS A 16 2.043 -1.036 -4.954 1.00 0.00 C ATOM 227 SG CYS A 16 3.285 0.179 -4.423 1.00 0.00 S ATOM 0 H CYS A 16 2.042 0.056 -7.192 1.00 0.00 H new ATOM 0 HA CYS A 16 3.380 -2.268 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.084 -0.536 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.909 -1.780 -4.169 1.00 0.00 H new ATOM 232 N LEU A 17 1.494 -3.991 -6.245 1.00 0.00 N ATOM 233 CA LEU A 17 0.486 -4.974 -6.498 1.00 0.00 C ATOM 234 C LEU A 17 -0.278 -5.291 -5.258 1.00 0.00 C ATOM 235 O LEU A 17 0.158 -5.061 -4.131 1.00 0.00 O ATOM 236 CB LEU A 17 1.029 -6.270 -7.122 1.00 0.00 C ATOM 237 CG LEU A 17 1.397 -6.141 -8.610 1.00 0.00 C ATOM 238 CD1 LEU A 17 2.798 -5.544 -8.822 1.00 0.00 C ATOM 239 CD2 LEU A 17 1.274 -7.512 -9.296 1.00 0.00 C ATOM 0 H LEU A 17 2.320 -4.354 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.180 -4.524 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.911 -6.587 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.282 -7.056 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 17 0.694 -5.444 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.006 -5.475 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.840 -4.549 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.542 -6.184 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.535 -7.416 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.950 -8.220 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.249 -7.872 -9.208 1.00 0.00 H new ATOM 251 N HIS A 18 -1.491 -5.834 -5.459 1.00 0.00 N ATOM 252 CA HIS A 18 -2.455 -6.154 -4.452 1.00 0.00 C ATOM 253 C HIS A 18 -2.909 -5.002 -3.625 1.00 0.00 C ATOM 254 O HIS A 18 -2.932 -5.089 -2.398 1.00 0.00 O ATOM 255 CB HIS A 18 -2.054 -7.350 -3.572 1.00 0.00 C ATOM 256 CG HIS A 18 -1.845 -8.598 -4.377 1.00 0.00 C ATOM 257 ND1 HIS A 18 -2.735 -9.564 -4.731 1.00 0.00 N flip ATOM 258 CD2 HIS A 18 -0.642 -8.941 -4.936 1.00 0.00 C flip ATOM 259 CE1 HIS A 18 -2.046 -10.467 -5.495 1.00 0.00 C flip ATOM 260 NE2 HIS A 18 -0.795 -10.063 -5.615 1.00 0.00 N flip ATOM 0 H HIS A 18 -1.822 -6.066 -6.395 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.324 -6.457 -5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.139 -7.111 -3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.829 -7.526 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.279 -8.386 -4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.459 -11.365 -5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.066 -10.540 -6.146 1.00 0.00 H new ATOM 269 N ASP A 19 -3.301 -3.895 -4.278 1.00 0.00 N ATOM 270 CA ASP A 19 -3.977 -2.768 -3.715 1.00 0.00 C ATOM 271 C ASP A 19 -3.152 -2.037 -2.713 1.00 0.00 C ATOM 272 O ASP A 19 -3.340 -2.133 -1.501 1.00 0.00 O ATOM 273 CB ASP A 19 -5.370 -3.223 -3.249 1.00 0.00 C ATOM 274 CG ASP A 19 -6.386 -2.115 -3.007 1.00 0.00 C ATOM 275 OD1 ASP A 19 -6.553 -1.207 -3.864 1.00 0.00 O ATOM 276 OD2 ASP A 19 -7.091 -2.199 -1.966 1.00 0.00 O ATOM 0 H ASP A 19 -3.132 -3.780 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.134 -1.998 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.777 -3.905 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.255 -3.792 -2.326 1.00 0.00 H new ATOM 281 N GLY A 20 -2.163 -1.264 -3.197 1.00 0.00 N ATOM 282 CA GLY A 20 -1.148 -0.668 -2.385 1.00 0.00 C ATOM 283 C GLY A 20 -1.582 0.606 -1.742 1.00 0.00 C ATOM 284 O GLY A 20 -2.107 1.515 -2.384 1.00 0.00 O ATOM 0 H GLY A 20 -2.067 -1.046 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.850 -1.375 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.267 -0.476 -2.998 1.00 0.00 H new ATOM 288 N VAL A 21 -1.339 0.729 -0.425 1.00 0.00 N ATOM 289 CA VAL A 21 -1.718 1.858 0.365 1.00 0.00 C ATOM 290 C VAL A 21 -0.737 2.959 0.156 1.00 0.00 C ATOM 291 O VAL A 21 0.366 2.962 0.701 1.00 0.00 O ATOM 292 CB VAL A 21 -1.844 1.529 1.823 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.343 2.749 2.614 1.00 0.00 C ATOM 294 CG2 VAL A 21 -2.839 0.368 1.991 1.00 0.00 C ATOM 0 H VAL A 21 -0.857 0.009 0.113 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.707 2.176 0.036 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.865 1.244 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.427 2.489 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.637 3.571 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.319 3.053 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.936 0.122 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.811 0.662 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.475 -0.504 1.448 1.00 0.00 H new ATOM 304 N CYS A 22 -1.104 3.940 -0.687 1.00 0.00 N ATOM 305 CA CYS A 22 -0.276 5.060 -1.010 1.00 0.00 C ATOM 306 C CYS A 22 -0.393 6.148 0.000 1.00 0.00 C ATOM 307 O CYS A 22 -1.451 6.370 0.588 1.00 0.00 O ATOM 308 CB CYS A 22 -0.573 5.592 -2.423 1.00 0.00 C ATOM 309 SG CYS A 22 -2.274 6.115 -2.779 1.00 0.00 S ATOM 0 H CYS A 22 -2.008 3.954 -1.160 1.00 0.00 H new ATOM 0 HA CYS A 22 0.754 4.705 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.086 6.440 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.303 4.816 -3.139 1.00 0.00 H new ATOM 314 N MET A 23 0.711 6.874 0.255 1.00 0.00 N ATOM 315 CA MET A 23 0.693 8.066 1.044 1.00 0.00 C ATOM 316 C MET A 23 1.450 9.126 0.321 1.00 0.00 C ATOM 317 O MET A 23 2.675 9.080 0.216 1.00 0.00 O ATOM 318 CB MET A 23 1.319 7.863 2.434 1.00 0.00 C ATOM 319 CG MET A 23 0.473 6.989 3.362 1.00 0.00 C ATOM 320 SD MET A 23 1.183 6.802 5.025 1.00 0.00 S ATOM 321 CE MET A 23 -0.161 5.743 5.633 1.00 0.00 C ATOM 0 H MET A 23 1.636 6.627 -0.095 1.00 0.00 H new ATOM 0 HA MET A 23 -0.348 8.351 1.194 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.303 7.409 2.318 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.470 8.836 2.902 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.524 7.422 3.447 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.355 6.003 2.913 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.031 5.471 6.671 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.106 6.282 5.568 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.216 4.840 5.026 1.00 0.00 H new ATOM 331 N TYR A 24 0.735 10.140 -0.197 1.00 0.00 N ATOM 332 CA TYR A 24 1.319 11.305 -0.787 1.00 0.00 C ATOM 333 C TYR A 24 0.862 12.464 0.032 1.00 0.00 C ATOM 334 O TYR A 24 -0.296 12.876 -0.016 1.00 0.00 O ATOM 335 CB TYR A 24 0.874 11.401 -2.255 1.00 0.00 C ATOM 336 CG TYR A 24 1.157 12.646 -3.022 1.00 0.00 C ATOM 337 CD1 TYR A 24 2.022 13.652 -2.658 1.00 0.00 C ATOM 338 CD2 TYR A 24 0.422 12.781 -4.175 1.00 0.00 C ATOM 339 CE1 TYR A 24 2.066 14.822 -3.376 1.00 0.00 C ATOM 340 CE2 TYR A 24 0.492 13.934 -4.920 1.00 0.00 C ATOM 341 CZ TYR A 24 1.285 14.976 -4.498 1.00 0.00 C ATOM 342 OH TYR A 24 1.218 16.208 -5.182 1.00 0.00 O ATOM 0 H TYR A 24 -0.285 10.150 -0.206 1.00 0.00 H new ATOM 0 HA TYR A 24 2.409 11.277 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.336 10.573 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.203 11.237 -2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.670 13.521 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.217 11.973 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.716 15.624 -3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.075 14.022 -5.835 1.00 0.00 H new ATOM 0 HH TYR A 24 1.656 16.903 -4.648 1.00 0.00 H new ATOM 352 N ILE A 25 1.767 13.057 0.831 1.00 0.00 N ATOM 353 CA ILE A 25 1.465 14.184 1.658 1.00 0.00 C ATOM 354 C ILE A 25 2.129 15.370 1.048 1.00 0.00 C ATOM 355 O ILE A 25 3.355 15.438 0.962 1.00 0.00 O ATOM 356 CB ILE A 25 1.893 13.975 3.079 1.00 0.00 C ATOM 357 CG1 ILE A 25 1.194 12.761 3.716 1.00 0.00 C ATOM 358 CG2 ILE A 25 1.550 15.241 3.882 1.00 0.00 C ATOM 359 CD1 ILE A 25 2.039 11.489 3.701 1.00 0.00 C ATOM 0 H ILE A 25 2.735 12.744 0.904 1.00 0.00 H new ATOM 0 HA ILE A 25 0.386 14.334 1.703 1.00 0.00 H new ATOM 0 HB ILE A 25 2.966 13.781 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.934 13.002 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.260 12.572 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.855 15.107 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.076 16.095 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.475 15.419 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.481 10.676 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.277 11.223 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.962 11.659 4.255 1.00 0.00 H new ATOM 371 N GLU A 26 1.333 16.359 0.603 1.00 0.00 N ATOM 372 CA GLU A 26 1.772 17.559 -0.038 1.00 0.00 C ATOM 373 C GLU A 26 2.734 18.366 0.765 1.00 0.00 C ATOM 374 O GLU A 26 3.716 18.880 0.234 1.00 0.00 O ATOM 375 CB GLU A 26 0.550 18.410 -0.417 1.00 0.00 C ATOM 376 CG GLU A 26 -0.198 17.913 -1.655 1.00 0.00 C ATOM 377 CD GLU A 26 0.319 18.546 -2.939 1.00 0.00 C ATOM 378 OE1 GLU A 26 1.412 18.163 -3.435 1.00 0.00 O ATOM 379 OE2 GLU A 26 -0.369 19.463 -3.460 1.00 0.00 O ATOM 0 H GLU A 26 0.318 16.317 0.698 1.00 0.00 H new ATOM 0 HA GLU A 26 2.321 17.252 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.140 18.432 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.875 19.436 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.102 16.829 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.260 18.133 -1.547 1.00 0.00 H new ATOM 386 N ALA A 27 2.550 18.473 2.093 1.00 0.00 N ATOM 387 CA ALA A 27 3.450 19.135 2.986 1.00 0.00 C ATOM 388 C ALA A 27 4.856 18.640 2.979 1.00 0.00 C ATOM 389 O ALA A 27 5.806 19.403 3.149 1.00 0.00 O ATOM 390 CB ALA A 27 2.878 19.060 4.412 1.00 0.00 C ATOM 0 H ALA A 27 1.736 18.080 2.566 1.00 0.00 H new ATOM 0 HA ALA A 27 3.520 20.161 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.556 19.562 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.904 19.549 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.768 18.016 4.706 1.00 0.00 H new ATOM 396 N LEU A 28 5.060 17.328 2.764 1.00 0.00 N ATOM 397 CA LEU A 28 6.348 16.717 2.653 1.00 0.00 C ATOM 398 C LEU A 28 6.869 16.685 1.257 1.00 0.00 C ATOM 399 O LEU A 28 8.083 16.692 1.061 1.00 0.00 O ATOM 400 CB LEU A 28 6.325 15.267 3.166 1.00 0.00 C ATOM 401 CG LEU A 28 6.262 15.160 4.700 1.00 0.00 C ATOM 402 CD1 LEU A 28 4.830 15.257 5.250 1.00 0.00 C ATOM 403 CD2 LEU A 28 6.907 13.843 5.163 1.00 0.00 C ATOM 0 H LEU A 28 4.293 16.664 2.663 1.00 0.00 H new ATOM 0 HA LEU A 28 7.004 17.339 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.465 14.752 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.216 14.750 2.810 1.00 0.00 H new ATOM 0 HG LEU A 28 6.816 16.011 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.851 15.175 6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.396 16.216 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.226 14.449 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.858 13.776 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.372 13.001 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.949 13.817 4.845 1.00 0.00 H new ATOM 415 N ASP A 29 5.971 16.580 0.262 1.00 0.00 N ATOM 416 CA ASP A 29 6.226 16.379 -1.131 1.00 0.00 C ATOM 417 C ASP A 29 6.628 14.985 -1.471 1.00 0.00 C ATOM 418 O ASP A 29 7.032 14.701 -2.598 1.00 0.00 O ATOM 419 CB ASP A 29 7.187 17.407 -1.751 1.00 0.00 C ATOM 420 CG ASP A 29 6.663 18.834 -1.663 1.00 0.00 C ATOM 421 OD1 ASP A 29 5.639 19.137 -2.331 1.00 0.00 O ATOM 422 OD2 ASP A 29 7.293 19.687 -0.982 1.00 0.00 O ATOM 0 H ASP A 29 4.971 16.642 0.453 1.00 0.00 H new ATOM 0 HA ASP A 29 5.255 16.550 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.151 17.347 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.359 17.152 -2.797 1.00 0.00 H new ATOM 427 N LYS A 30 6.526 14.040 -0.519 1.00 0.00 N ATOM 428 CA LYS A 30 6.983 12.689 -0.621 1.00 0.00 C ATOM 429 C LYS A 30 5.915 11.679 -0.863 1.00 0.00 C ATOM 430 O LYS A 30 4.771 11.825 -0.433 1.00 0.00 O ATOM 431 CB LYS A 30 7.660 12.245 0.687 1.00 0.00 C ATOM 432 CG LYS A 30 8.841 13.089 1.168 1.00 0.00 C ATOM 433 CD LYS A 30 10.035 13.062 0.211 1.00 0.00 C ATOM 434 CE LYS A 30 11.328 13.635 0.792 1.00 0.00 C ATOM 435 NZ LYS A 30 11.789 12.843 1.955 1.00 0.00 N ATOM 0 H LYS A 30 6.094 14.235 0.384 1.00 0.00 H new ATOM 0 HA LYS A 30 7.656 12.714 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.906 12.234 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.004 11.218 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.512 14.120 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.160 12.730 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.215 12.032 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.776 13.622 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.102 13.644 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.167 14.670 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.782 13.073 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.203 13.070 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.706 11.829 1.739 1.00 0.00 H new ATOM 449 N TYR A 31 6.307 10.563 -1.504 1.00 0.00 N ATOM 450 CA TYR A 31 5.518 9.398 -1.763 1.00 0.00 C ATOM 451 C TYR A 31 5.935 8.262 -0.893 1.00 0.00 C ATOM 452 O TYR A 31 7.114 8.104 -0.582 1.00 0.00 O ATOM 453 CB TYR A 31 5.726 8.939 -3.215 1.00 0.00 C ATOM 454 CG TYR A 31 4.666 9.460 -4.124 1.00 0.00 C ATOM 455 CD1 TYR A 31 4.460 10.808 -4.299 1.00 0.00 C ATOM 456 CD2 TYR A 31 3.906 8.560 -4.833 1.00 0.00 C ATOM 457 CE1 TYR A 31 3.498 11.251 -5.177 1.00 0.00 C ATOM 458 CE2 TYR A 31 2.946 8.999 -5.715 1.00 0.00 C ATOM 459 CZ TYR A 31 2.746 10.348 -5.891 1.00 0.00 C ATOM 460 OH TYR A 31 1.828 10.780 -6.870 1.00 0.00 O ATOM 0 H TYR A 31 7.254 10.470 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 31 4.479 9.663 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.702 9.276 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.733 7.850 -3.253 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.054 11.520 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.064 7.500 -4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.333 12.311 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.351 8.287 -6.267 1.00 0.00 H new ATOM 0 HH TYR A 31 1.388 10.002 -7.272 1.00 0.00 H new ATOM 470 N ALA A 32 4.978 7.401 -0.503 1.00 0.00 N ATOM 471 CA ALA A 32 5.265 6.166 0.160 1.00 0.00 C ATOM 472 C ALA A 32 4.175 5.162 0.011 1.00 0.00 C ATOM 473 O ALA A 32 3.155 5.196 0.699 1.00 0.00 O ATOM 474 CB ALA A 32 5.542 6.386 1.657 1.00 0.00 C ATOM 0 H ALA A 32 3.983 7.566 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 32 6.158 5.772 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.757 5.429 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.399 7.050 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.667 6.836 2.127 1.00 0.00 H new ATOM 480 N CYS A 33 4.366 4.173 -0.880 1.00 0.00 N ATOM 481 CA CYS A 33 3.530 3.021 -1.014 1.00 0.00 C ATOM 482 C CYS A 33 3.885 1.962 -0.028 1.00 0.00 C ATOM 483 O CYS A 33 5.047 1.583 0.111 1.00 0.00 O ATOM 484 CB CYS A 33 3.633 2.427 -2.429 1.00 0.00 C ATOM 485 SG CYS A 33 2.460 1.094 -2.810 1.00 0.00 S ATOM 0 H CYS A 33 5.143 4.178 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 33 2.510 3.355 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.489 3.230 -3.152 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.645 2.047 -2.571 1.00 0.00 H new ATOM 490 N ASN A 34 2.892 1.423 0.701 1.00 0.00 N ATOM 491 CA ASN A 34 3.035 0.255 1.513 1.00 0.00 C ATOM 492 C ASN A 34 2.068 -0.783 1.052 1.00 0.00 C ATOM 493 O ASN A 34 1.040 -0.483 0.446 1.00 0.00 O ATOM 494 CB ASN A 34 2.827 0.590 2.999 1.00 0.00 C ATOM 495 CG ASN A 34 3.274 -0.529 3.929 1.00 0.00 C ATOM 496 OD1 ASN A 34 4.142 -1.343 3.616 1.00 0.00 O ATOM 497 ND2 ASN A 34 2.647 -0.581 5.135 1.00 0.00 N ATOM 0 H ASN A 34 1.951 1.817 0.726 1.00 0.00 H new ATOM 0 HA ASN A 34 4.048 -0.134 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.378 1.499 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.772 0.801 3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.893 -1.308 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.931 0.107 5.368 1.00 0.00 H new ATOM 504 N CYS A 35 2.355 -2.065 1.339 1.00 0.00 N ATOM 505 CA CYS A 35 1.545 -3.177 0.946 1.00 0.00 C ATOM 506 C CYS A 35 0.773 -3.721 2.099 1.00 0.00 C ATOM 507 O CYS A 35 0.915 -3.299 3.246 1.00 0.00 O ATOM 508 CB CYS A 35 2.421 -4.303 0.370 1.00 0.00 C ATOM 509 SG CYS A 35 3.360 -3.776 -1.091 1.00 0.00 S ATOM 0 H CYS A 35 3.184 -2.338 1.866 1.00 0.00 H new ATOM 0 HA CYS A 35 0.850 -2.817 0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.113 -4.649 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.789 -5.151 0.105 1.00 0.00 H new ATOM 514 N VAL A 36 -0.094 -4.712 1.829 1.00 0.00 N ATOM 515 CA VAL A 36 -0.725 -5.531 2.818 1.00 0.00 C ATOM 516 C VAL A 36 0.197 -6.575 3.344 1.00 0.00 C ATOM 517 O VAL A 36 1.234 -6.887 2.761 1.00 0.00 O ATOM 518 CB VAL A 36 -1.990 -6.159 2.313 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.142 -5.158 2.502 1.00 0.00 C ATOM 520 CG2 VAL A 36 -1.878 -6.534 0.825 1.00 0.00 C ATOM 0 H VAL A 36 -0.368 -4.954 0.877 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.989 -4.865 3.639 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.175 -7.074 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.070 -5.599 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.244 -4.916 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.929 -4.248 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.812 -6.986 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.680 -5.637 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.062 -7.244 0.689 1.00 0.00 H new ATOM 530 N VAL A 37 -0.132 -7.153 4.514 1.00 0.00 N ATOM 531 CA VAL A 37 0.688 -8.093 5.215 1.00 0.00 C ATOM 532 C VAL A 37 0.508 -9.472 4.680 1.00 0.00 C ATOM 533 O VAL A 37 -0.606 -9.920 4.414 1.00 0.00 O ATOM 534 CB VAL A 37 0.416 -8.062 6.690 1.00 0.00 C ATOM 535 CG1 VAL A 37 1.264 -9.078 7.473 1.00 0.00 C ATOM 536 CG2 VAL A 37 0.722 -6.655 7.229 1.00 0.00 C ATOM 0 H VAL A 37 -1.011 -6.956 4.993 1.00 0.00 H new ATOM 0 HA VAL A 37 1.726 -7.799 5.056 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.633 -8.325 6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.025 -9.010 8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.048 -10.085 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.322 -8.860 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.526 -6.625 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.769 -6.414 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.088 -5.926 6.724 1.00 0.00 H new ATOM 546 N GLY A 38 1.615 -10.215 4.503 1.00 0.00 N ATOM 547 CA GLY A 38 1.631 -11.585 4.092 1.00 0.00 C ATOM 548 C GLY A 38 1.913 -11.706 2.634 1.00 0.00 C ATOM 549 O GLY A 38 1.307 -12.518 1.938 1.00 0.00 O ATOM 0 H GLY A 38 2.551 -9.839 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.388 -12.129 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.670 -12.047 4.319 1.00 0.00 H new ATOM 553 N TYR A 39 2.861 -10.888 2.144 1.00 0.00 N ATOM 554 CA TYR A 39 3.212 -10.775 0.762 1.00 0.00 C ATOM 555 C TYR A 39 4.697 -10.815 0.640 1.00 0.00 C ATOM 556 O TYR A 39 5.433 -10.291 1.473 1.00 0.00 O ATOM 557 CB TYR A 39 2.675 -9.490 0.109 1.00 0.00 C ATOM 558 CG TYR A 39 1.277 -9.719 -0.349 1.00 0.00 C ATOM 559 CD1 TYR A 39 1.053 -10.230 -1.606 1.00 0.00 C ATOM 560 CD2 TYR A 39 0.203 -9.469 0.472 1.00 0.00 C ATOM 561 CE1 TYR A 39 -0.225 -10.500 -2.037 1.00 0.00 C ATOM 562 CE2 TYR A 39 -1.077 -9.727 0.041 1.00 0.00 C ATOM 563 CZ TYR A 39 -1.296 -10.244 -1.215 1.00 0.00 C ATOM 564 OH TYR A 39 -2.610 -10.512 -1.654 1.00 0.00 O ATOM 0 H TYR A 39 3.412 -10.273 2.743 1.00 0.00 H new ATOM 0 HA TYR A 39 2.752 -11.611 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.706 -8.666 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.305 -9.206 -0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.890 -10.421 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.366 -9.068 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.387 -10.913 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.915 -9.523 0.692 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.658 -10.407 -2.627 1.00 0.00 H new ATOM 574 N ILE A 40 5.180 -11.510 -0.406 1.00 0.00 N ATOM 575 CA ILE A 40 6.564 -11.677 -0.726 1.00 0.00 C ATOM 576 C ILE A 40 6.787 -11.203 -2.121 1.00 0.00 C ATOM 577 O ILE A 40 5.869 -11.037 -2.922 1.00 0.00 O ATOM 578 CB ILE A 40 7.023 -13.096 -0.557 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.020 -14.088 -1.171 1.00 0.00 C ATOM 580 CG2 ILE A 40 7.204 -13.364 0.947 1.00 0.00 C ATOM 581 CD1 ILE A 40 6.577 -15.500 -1.334 1.00 0.00 C ATOM 0 H ILE A 40 4.566 -11.984 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 40 7.158 -11.085 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 40 7.968 -13.238 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.130 -14.128 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.705 -13.716 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.538 -14.391 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.948 -12.678 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.254 -13.213 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.814 -16.144 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.449 -15.474 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.866 -15.892 -0.359 1.00 0.00 H new ATOM 593 N GLY A 41 8.061 -10.930 -2.456 1.00 0.00 N ATOM 594 CA GLY A 41 8.425 -10.317 -3.696 1.00 0.00 C ATOM 595 C GLY A 41 8.462 -8.831 -3.592 1.00 0.00 C ATOM 596 O GLY A 41 7.812 -8.215 -2.748 1.00 0.00 O ATOM 0 H GLY A 41 8.856 -11.140 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.403 -10.683 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.713 -10.609 -4.468 1.00 0.00 H new ATOM 600 N GLU A 42 9.234 -8.193 -4.489 1.00 0.00 N ATOM 601 CA GLU A 42 9.616 -6.816 -4.454 1.00 0.00 C ATOM 602 C GLU A 42 8.486 -5.844 -4.412 1.00 0.00 C ATOM 603 O GLU A 42 8.417 -4.945 -3.577 1.00 0.00 O ATOM 604 CB GLU A 42 10.467 -6.542 -5.705 1.00 0.00 C ATOM 605 CG GLU A 42 11.063 -5.136 -5.780 1.00 0.00 C ATOM 606 CD GLU A 42 11.721 -4.895 -7.131 1.00 0.00 C ATOM 607 OE1 GLU A 42 10.984 -4.806 -8.148 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.970 -4.730 -7.187 1.00 0.00 O ATOM 0 H GLU A 42 9.620 -8.678 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 42 10.159 -6.663 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.279 -7.268 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.852 -6.708 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.280 -4.396 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.797 -5.005 -4.985 1.00 0.00 H new ATOM 615 N ARG A 43 7.533 -6.010 -5.347 1.00 0.00 N ATOM 616 CA ARG A 43 6.377 -5.183 -5.503 1.00 0.00 C ATOM 617 C ARG A 43 5.138 -5.873 -5.045 1.00 0.00 C ATOM 618 O ARG A 43 4.038 -5.570 -5.506 1.00 0.00 O ATOM 619 CB ARG A 43 6.274 -4.723 -6.968 1.00 0.00 C ATOM 620 CG ARG A 43 6.472 -5.823 -8.012 1.00 0.00 C ATOM 621 CD ARG A 43 7.693 -5.625 -8.912 1.00 0.00 C ATOM 622 NE ARG A 43 7.386 -4.481 -9.816 1.00 0.00 N ATOM 623 CZ ARG A 43 8.312 -3.848 -10.595 1.00 0.00 C ATOM 624 NH1 ARG A 43 9.653 -4.001 -10.395 1.00 0.00 N ATOM 625 NH2 ARG A 43 7.873 -3.010 -11.578 1.00 0.00 N ATOM 0 H ARG A 43 7.572 -6.764 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 43 6.483 -4.303 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.294 -4.270 -7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.016 -3.943 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.564 -6.781 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.580 -5.880 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.582 -5.418 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.898 -6.527 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 43 6.422 -4.149 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.991 -4.603 -9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.317 -3.513 -10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.873 -2.868 -11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.545 -2.526 -12.173 1.00 0.00 H new ATOM 639 N CYS A 44 5.265 -6.814 -4.093 1.00 0.00 N ATOM 640 CA CYS A 44 4.182 -7.432 -3.393 1.00 0.00 C ATOM 641 C CYS A 44 3.299 -8.288 -4.235 1.00 0.00 C ATOM 642 O CYS A 44 2.071 -8.218 -4.216 1.00 0.00 O ATOM 643 CB CYS A 44 3.372 -6.424 -2.560 1.00 0.00 C ATOM 644 SG CYS A 44 4.460 -5.433 -1.496 1.00 0.00 S ATOM 0 H CYS A 44 6.176 -7.163 -3.795 1.00 0.00 H new ATOM 0 HA CYS A 44 4.668 -8.122 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.810 -5.767 -3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.644 -6.956 -1.947 1.00 0.00 H new ATOM 649 N GLN A 45 3.924 -9.168 -5.037 1.00 0.00 N ATOM 650 CA GLN A 45 3.235 -9.996 -5.978 1.00 0.00 C ATOM 651 C GLN A 45 2.658 -11.254 -5.426 1.00 0.00 C ATOM 652 O GLN A 45 1.495 -11.554 -5.690 1.00 0.00 O ATOM 653 CB GLN A 45 4.141 -10.317 -7.180 1.00 0.00 C ATOM 654 CG GLN A 45 4.686 -9.025 -7.792 1.00 0.00 C ATOM 655 CD GLN A 45 5.271 -9.200 -9.186 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.447 -8.916 -9.413 1.00 0.00 O ATOM 657 NE2 GLN A 45 4.418 -9.624 -10.156 1.00 0.00 N ATOM 0 H GLN A 45 4.934 -9.308 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 45 2.377 -9.400 -6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.967 -10.954 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.579 -10.874 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.883 -8.289 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.455 -8.620 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.451 -9.849 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.745 -9.718 -11.118 1.00 0.00 H new ATOM 666 N TYR A 46 3.419 -12.064 -4.668 1.00 0.00 N ATOM 667 CA TYR A 46 2.987 -13.372 -4.286 1.00 0.00 C ATOM 668 C TYR A 46 2.657 -13.354 -2.833 1.00 0.00 C ATOM 669 O TYR A 46 3.244 -12.578 -2.080 1.00 0.00 O ATOM 670 CB TYR A 46 4.032 -14.459 -4.585 1.00 0.00 C ATOM 671 CG TYR A 46 4.838 -14.164 -5.803 1.00 0.00 C ATOM 672 CD1 TYR A 46 4.300 -14.297 -7.061 1.00 0.00 C ATOM 673 CD2 TYR A 46 6.134 -13.728 -5.670 1.00 0.00 C ATOM 674 CE1 TYR A 46 5.054 -14.014 -8.177 1.00 0.00 C ATOM 675 CE2 TYR A 46 6.895 -13.433 -6.778 1.00 0.00 C ATOM 676 CZ TYR A 46 6.354 -13.591 -8.032 1.00 0.00 C ATOM 677 OH TYR A 46 7.139 -13.323 -9.174 1.00 0.00 O ATOM 0 H TYR A 46 4.342 -11.809 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 46 2.108 -13.626 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.699 -14.561 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.528 -15.417 -4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.278 -14.626 -7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.561 -13.615 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.626 -14.124 -9.163 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.909 -13.080 -6.663 1.00 0.00 H new ATOM 0 HH TYR A 46 8.033 -13.033 -8.896 1.00 0.00 H new ATOM 687 N ARG A 47 1.712 -14.178 -2.349 1.00 0.00 N ATOM 688 CA ARG A 47 1.383 -14.225 -0.958 1.00 0.00 C ATOM 689 C ARG A 47 1.795 -15.495 -0.298 1.00 0.00 C ATOM 690 O ARG A 47 1.840 -16.553 -0.925 1.00 0.00 O ATOM 691 CB ARG A 47 -0.100 -13.945 -0.662 1.00 0.00 C ATOM 692 CG ARG A 47 -1.140 -14.957 -1.147 1.00 0.00 C ATOM 693 CD ARG A 47 -2.435 -14.820 -0.342 1.00 0.00 C ATOM 694 NE ARG A 47 -3.401 -15.845 -0.826 1.00 0.00 N ATOM 695 CZ ARG A 47 -4.676 -15.936 -0.346 1.00 0.00 C ATOM 696 NH1 ARG A 47 -5.074 -15.314 0.802 1.00 0.00 N ATOM 697 NH2 ARG A 47 -5.574 -16.699 -1.036 1.00 0.00 N ATOM 0 H ARG A 47 1.170 -14.819 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 47 1.967 -13.411 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.211 -13.846 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.349 -12.977 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.344 -14.799 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.747 -15.969 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.237 -14.958 0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.852 -13.820 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.099 -16.504 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.409 -14.755 1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.037 -15.408 1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.285 -17.183 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.534 -16.785 -0.701 1.00 0.00 H new ATOM 711 N ASP A 48 2.089 -15.429 1.013 1.00 0.00 N ATOM 712 CA ASP A 48 2.413 -16.557 1.830 1.00 0.00 C ATOM 713 C ASP A 48 1.181 -17.203 2.363 1.00 0.00 C ATOM 714 O ASP A 48 0.378 -16.576 3.050 1.00 0.00 O ATOM 715 CB ASP A 48 3.277 -16.154 3.038 1.00 0.00 C ATOM 716 CG ASP A 48 4.716 -15.831 2.659 1.00 0.00 C ATOM 717 OD1 ASP A 48 5.285 -16.517 1.770 1.00 0.00 O ATOM 718 OD2 ASP A 48 5.313 -14.962 3.350 1.00 0.00 O ATOM 0 H ASP A 48 2.101 -14.548 1.527 1.00 0.00 H new ATOM 0 HA ASP A 48 2.964 -17.247 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.831 -15.286 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.272 -16.964 3.767 1.00 0.00 H new ATOM 723 N LEU A 49 0.966 -18.490 2.036 1.00 0.00 N ATOM 724 CA LEU A 49 -0.111 -19.297 2.521 1.00 0.00 C ATOM 725 C LEU A 49 0.242 -20.054 3.755 1.00 0.00 C ATOM 726 O LEU A 49 -0.622 -20.390 4.564 1.00 0.00 O ATOM 727 CB LEU A 49 -0.599 -20.294 1.455 1.00 0.00 C ATOM 728 CG LEU A 49 -1.419 -19.703 0.296 1.00 0.00 C ATOM 729 CD1 LEU A 49 -2.669 -18.955 0.791 1.00 0.00 C ATOM 730 CD2 LEU A 49 -0.608 -18.817 -0.664 1.00 0.00 C ATOM 0 H LEU A 49 1.579 -18.996 1.397 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.909 -18.595 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.271 -20.800 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.203 -21.055 1.949 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.737 -20.571 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.216 -18.555 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.310 -19.643 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.368 -18.136 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.261 -18.441 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.183 -17.978 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.196 -19.403 -1.109 1.00 0.00 H new ATOM 742 N LYS A 50 1.536 -20.368 3.943 1.00 0.00 N ATOM 743 CA LYS A 50 2.053 -21.356 4.838 1.00 0.00 C ATOM 744 C LYS A 50 1.791 -21.214 6.299 1.00 0.00 C ATOM 745 O LYS A 50 1.881 -22.193 7.037 1.00 0.00 O ATOM 746 CB LYS A 50 3.537 -21.584 4.505 1.00 0.00 C ATOM 747 CG LYS A 50 4.439 -20.349 4.550 1.00 0.00 C ATOM 748 CD LYS A 50 4.948 -20.048 5.961 1.00 0.00 C ATOM 749 CE LYS A 50 6.236 -20.803 6.300 1.00 0.00 C ATOM 750 NZ LYS A 50 6.703 -20.450 7.659 1.00 0.00 N ATOM 0 H LYS A 50 2.278 -19.893 3.428 1.00 0.00 H new ATOM 0 HA LYS A 50 1.456 -22.247 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.934 -22.323 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.601 -22.018 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.289 -20.499 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.888 -19.487 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.124 -18.977 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.177 -20.311 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.062 -21.877 6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.008 -20.562 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.577 -20.971 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.889 -19.428 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.972 -20.702 8.354 1.00 0.00 H new ATOM 764 N TRP A 51 1.445 -20.019 6.810 1.00 0.00 N ATOM 765 CA TRP A 51 1.061 -19.856 8.178 1.00 0.00 C ATOM 766 C TRP A 51 -0.404 -20.034 8.381 1.00 0.00 C ATOM 767 O TRP A 51 -0.860 -20.471 9.437 1.00 0.00 O ATOM 768 CB TRP A 51 1.600 -18.540 8.763 1.00 0.00 C ATOM 769 CG TRP A 51 0.772 -17.278 8.735 1.00 0.00 C ATOM 770 CD1 TRP A 51 -0.330 -16.989 9.486 1.00 0.00 C ATOM 771 CD2 TRP A 51 1.117 -16.064 8.044 1.00 0.00 C ATOM 772 NE1 TRP A 51 -0.694 -15.679 9.316 1.00 0.00 N ATOM 773 CE2 TRP A 51 0.183 -15.097 8.432 1.00 0.00 C ATOM 774 CE3 TRP A 51 2.136 -15.752 7.185 1.00 0.00 C ATOM 775 CZ2 TRP A 51 0.264 -13.815 7.960 1.00 0.00 C ATOM 776 CZ3 TRP A 51 2.220 -14.457 6.732 1.00 0.00 C ATOM 777 CH2 TRP A 51 1.306 -13.505 7.118 1.00 0.00 C ATOM 0 H TRP A 51 1.431 -19.155 6.268 1.00 0.00 H new ATOM 0 HA TRP A 51 1.531 -20.659 8.746 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.851 -18.734 9.806 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.534 -18.320 8.246 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.843 -17.693 10.124 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.482 -15.215 9.768 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.851 -16.499 6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -0.467 -13.071 8.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.019 -14.182 6.060 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.409 -12.494 6.753 1.00 0.00 H new ATOM 788 N TRP A 52 -1.199 -19.696 7.350 1.00 0.00 N ATOM 789 CA TRP A 52 -2.629 -19.713 7.355 1.00 0.00 C ATOM 790 C TRP A 52 -3.195 -21.090 7.320 1.00 0.00 C ATOM 791 O TRP A 52 -4.080 -21.432 8.103 1.00 0.00 O ATOM 792 CB TRP A 52 -3.216 -18.932 6.166 1.00 0.00 C ATOM 793 CG TRP A 52 -2.817 -17.478 6.087 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.787 -16.913 5.393 1.00 0.00 C ATOM 795 CD2 TRP A 52 -3.500 -16.391 6.739 1.00 0.00 C ATOM 796 NE1 TRP A 52 -1.800 -15.550 5.538 1.00 0.00 N ATOM 797 CE2 TRP A 52 -2.840 -15.212 6.373 1.00 0.00 C ATOM 798 CE3 TRP A 52 -4.589 -16.359 7.566 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -3.260 -14.000 6.845 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.012 -15.133 8.025 1.00 0.00 C ATOM 801 CH2 TRP A 52 -4.362 -13.975 7.667 1.00 0.00 C ATOM 0 H TRP A 52 -0.817 -19.391 6.455 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.909 -19.237 8.295 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.912 -19.426 5.243 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.303 -18.991 6.215 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.063 -17.463 4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.149 -14.897 5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -5.100 -17.267 7.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -2.742 -13.090 6.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -5.870 -15.079 8.678 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -4.724 -13.028 8.039 1.00 0.00 H new ATOM 812 N GLU A 53 -2.702 -21.932 6.394 1.00 0.00 N ATOM 813 CA GLU A 53 -3.095 -23.300 6.253 1.00 0.00 C ATOM 814 C GLU A 53 -2.087 -24.192 6.891 1.00 0.00 C ATOM 815 O GLU A 53 -1.314 -24.878 6.224 1.00 0.00 O ATOM 816 CB GLU A 53 -3.308 -23.699 4.783 1.00 0.00 C ATOM 817 CG GLU A 53 -4.574 -23.084 4.182 1.00 0.00 C ATOM 818 CD GLU A 53 -4.844 -23.569 2.765 1.00 0.00 C ATOM 819 OE1 GLU A 53 -3.900 -24.016 2.061 1.00 0.00 O ATOM 820 OE2 GLU A 53 -6.018 -23.469 2.318 1.00 0.00 O ATOM 0 H GLU A 53 -1.998 -21.646 5.713 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.054 -23.416 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.444 -23.387 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.367 -24.785 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.428 -23.328 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.480 -21.998 4.179 1.00 0.00 H new ATOM 827 N LEU A 54 -2.082 -24.196 8.237 1.00 0.00 N ATOM 828 CA LEU A 54 -1.273 -25.042 9.058 1.00 0.00 C ATOM 829 C LEU A 54 -2.158 -25.846 10.000 1.00 0.00 C ATOM 830 O LEU A 54 -2.917 -25.244 10.805 1.00 0.00 O ATOM 831 CB LEU A 54 -0.263 -24.184 9.841 1.00 0.00 C ATOM 832 CG LEU A 54 0.686 -24.955 10.773 1.00 0.00 C ATOM 833 CD1 LEU A 54 1.576 -25.955 10.015 1.00 0.00 C ATOM 834 CD2 LEU A 54 1.554 -23.969 11.573 1.00 0.00 C ATOM 835 OXT LEU A 54 -2.132 -27.105 9.942 1.00 0.00 O ATOM 0 H LEU A 54 -2.677 -23.572 8.782 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.719 -25.743 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.337 -23.620 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.816 -23.457 10.436 1.00 0.00 H new ATOM 0 HG LEU A 54 0.066 -25.536 11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.226 -26.472 10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.949 -26.683 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.185 -25.420 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.223 -24.524 12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.142 -23.362 10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.912 -23.322 12.171 1.00 0.00 H new TER 847 LEU A 54