USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 615 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 Single : A 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00226 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot 150:sc= 0.813 USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -3.75! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.694 K(o=0.69,f=-9.4!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -108:sc= -0.574 USER MOD Single : A 264 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.35) USER MOD Single : A 265 CYS SG : rot -124:sc= 0.31 USER MOD Single : A 266 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 276 HIS : no HE2:sc= -6.25! C(o=-6.3!,f=-6.6!) USER MOD Single : A 277 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 13.484 8.675 3.696 1.00 0.00 N ATOM 2 CA ARG A 210 13.412 7.913 2.454 1.00 0.00 C ATOM 3 C ARG A 210 11.966 7.584 2.102 1.00 0.00 C ATOM 4 O ARG A 210 11.283 6.871 2.837 1.00 0.00 O ATOM 5 CB ARG A 210 14.227 6.625 2.575 1.00 0.00 C ATOM 6 CG ARG A 210 15.667 6.769 2.107 1.00 0.00 C ATOM 7 CD ARG A 210 16.651 6.594 3.253 1.00 0.00 C ATOM 8 NE ARG A 210 17.832 5.836 2.849 1.00 0.00 N ATOM 9 CZ ARG A 210 18.743 5.371 3.702 1.00 0.00 C ATOM 10 NH1 ARG A 210 18.612 5.585 5.005 1.00 0.00 N ATOM 11 NH2 ARG A 210 19.788 4.690 3.251 1.00 0.00 N ATOM 0 HA ARG A 210 13.830 8.525 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 210 14.223 6.299 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 210 13.741 5.842 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 210 15.874 6.029 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 210 15.806 7.751 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 210 16.957 7.573 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 210 16.158 6.083 4.080 1.00 0.00 H new ATOM 0 HE ARG A 210 17.967 5.652 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 210 17.811 6.108 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 210 19.313 5.227 5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 210 19.894 4.522 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 210 20.485 4.334 3.905 1.00 0.00 H new ATOM 24 N GLU A 211 11.503 8.106 0.971 1.00 0.00 N ATOM 25 CA GLU A 211 10.138 7.867 0.520 1.00 0.00 C ATOM 26 C GLU A 211 9.915 6.387 0.225 1.00 0.00 C ATOM 27 O GLU A 211 10.863 5.603 0.179 1.00 0.00 O ATOM 28 CB GLU A 211 9.835 8.699 -0.728 1.00 0.00 C ATOM 29 CG GLU A 211 10.118 10.182 -0.554 1.00 0.00 C ATOM 30 CD GLU A 211 10.662 10.823 -1.815 1.00 0.00 C ATOM 31 OE1 GLU A 211 9.850 11.267 -2.653 1.00 0.00 O ATOM 32 OE2 GLU A 211 11.901 10.882 -1.965 1.00 0.00 O ATOM 0 H GLU A 211 12.054 8.698 0.350 1.00 0.00 H new ATOM 0 HA GLU A 211 9.461 8.167 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 211 10.428 8.320 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 211 8.787 8.567 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 211 9.201 10.691 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 211 10.834 10.319 0.257 1.00 0.00 H new ATOM 39 N LEU A 212 8.656 6.011 0.025 1.00 0.00 N ATOM 40 CA LEU A 212 8.311 4.625 -0.266 1.00 0.00 C ATOM 41 C LEU A 212 7.652 4.503 -1.637 1.00 0.00 C ATOM 42 O LEU A 212 6.997 5.434 -2.106 1.00 0.00 O ATOM 43 CB LEU A 212 7.374 4.073 0.810 1.00 0.00 C ATOM 44 CG LEU A 212 8.007 3.901 2.193 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.948 3.549 3.225 1.00 0.00 C ATOM 46 CD2 LEU A 212 9.092 2.834 2.151 1.00 0.00 C ATOM 0 H LEU A 212 7.859 6.646 0.059 1.00 0.00 H new ATOM 0 HA LEU A 212 9.233 4.043 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.516 4.739 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 212 6.994 3.107 0.478 1.00 0.00 H new ATOM 0 HG LEU A 212 8.465 4.846 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.417 3.431 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.207 4.347 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.460 2.617 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.532 2.724 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.657 1.884 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.865 3.129 1.441 1.00 0.00 H new ATOM 58 N LYS A 213 7.832 3.350 -2.272 1.00 0.00 N ATOM 59 CA LYS A 213 7.256 3.105 -3.589 1.00 0.00 C ATOM 60 C LYS A 213 6.494 1.785 -3.609 1.00 0.00 C ATOM 61 O LYS A 213 6.870 0.831 -2.929 1.00 0.00 O ATOM 62 CB LYS A 213 8.351 3.091 -4.656 1.00 0.00 C ATOM 63 CG LYS A 213 9.248 4.318 -4.624 1.00 0.00 C ATOM 64 CD LYS A 213 10.585 4.019 -3.959 1.00 0.00 C ATOM 65 CE LYS A 213 10.852 4.960 -2.793 1.00 0.00 C ATOM 66 NZ LYS A 213 11.736 6.094 -3.184 1.00 0.00 N ATOM 0 H LYS A 213 8.372 2.571 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 213 6.558 3.913 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 213 8.964 2.200 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 213 7.887 3.016 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 213 9.418 4.672 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 213 8.746 5.122 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 213 10.594 2.988 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 213 11.386 4.111 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 213 9.906 5.350 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 213 11.314 4.404 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 11.893 6.711 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.648 5.724 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 11.284 6.640 -3.945 1.00 0.00 H new ATOM 80 N ILE A 214 5.422 1.736 -4.393 1.00 0.00 N ATOM 81 CA ILE A 214 4.609 0.533 -4.502 1.00 0.00 C ATOM 82 C ILE A 214 5.453 -0.659 -4.948 1.00 0.00 C ATOM 83 O ILE A 214 6.231 -0.561 -5.897 1.00 0.00 O ATOM 84 CB ILE A 214 3.442 0.733 -5.490 1.00 0.00 C ATOM 85 CG1 ILE A 214 2.563 1.900 -5.035 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.617 -0.542 -5.615 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.396 2.176 -5.957 1.00 0.00 C ATOM 0 H ILE A 214 5.097 2.517 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 214 4.200 0.331 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 214 3.854 0.967 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.183 1.689 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.176 2.798 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 214 1.799 -0.379 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.251 -1.351 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.210 -0.809 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 214 0.818 3.016 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 214 1.768 2.419 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 214 0.760 1.293 -6.013 1.00 0.00 H new ATOM 99 N GLY A 215 5.296 -1.780 -4.253 1.00 0.00 N ATOM 100 CA GLY A 215 6.051 -2.973 -4.587 1.00 0.00 C ATOM 101 C GLY A 215 7.282 -3.147 -3.715 1.00 0.00 C ATOM 102 O GLY A 215 8.007 -4.132 -3.847 1.00 0.00 O ATOM 0 H GLY A 215 4.659 -1.884 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.408 -3.847 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.355 -2.926 -5.633 1.00 0.00 H new ATOM 106 N ASP A 216 7.520 -2.189 -2.821 1.00 0.00 N ATOM 107 CA ASP A 216 8.673 -2.244 -1.931 1.00 0.00 C ATOM 108 C ASP A 216 8.303 -2.880 -0.596 1.00 0.00 C ATOM 109 O ASP A 216 7.203 -2.674 -0.083 1.00 0.00 O ATOM 110 CB ASP A 216 9.235 -0.840 -1.701 1.00 0.00 C ATOM 111 CG ASP A 216 10.106 -0.370 -2.851 1.00 0.00 C ATOM 112 OD1 ASP A 216 10.617 -1.230 -3.597 1.00 0.00 O ATOM 113 OD2 ASP A 216 10.277 0.858 -3.002 1.00 0.00 O ATOM 0 H ASP A 216 6.929 -1.367 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 216 9.436 -2.860 -2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.411 -0.140 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.818 -0.831 -0.780 1.00 0.00 H new ATOM 118 N ARG A 217 9.232 -3.649 -0.036 1.00 0.00 N ATOM 119 CA ARG A 217 9.005 -4.308 1.244 1.00 0.00 C ATOM 120 C ARG A 217 9.136 -3.312 2.387 1.00 0.00 C ATOM 121 O ARG A 217 10.083 -2.528 2.435 1.00 0.00 O ATOM 122 CB ARG A 217 9.996 -5.459 1.435 1.00 0.00 C ATOM 123 CG ARG A 217 9.467 -6.578 2.316 1.00 0.00 C ATOM 124 CD ARG A 217 8.603 -7.547 1.529 1.00 0.00 C ATOM 125 NE ARG A 217 9.382 -8.310 0.555 1.00 0.00 N ATOM 126 CZ ARG A 217 8.889 -9.313 -0.166 1.00 0.00 C ATOM 127 NH1 ARG A 217 7.621 -9.680 -0.027 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.665 -9.953 -1.030 1.00 0.00 N ATOM 0 H ARG A 217 10.147 -3.830 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 217 7.993 -4.712 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.256 -5.869 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.915 -5.068 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.303 -7.116 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.886 -6.154 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 217 8.110 -8.234 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.818 -6.995 1.013 1.00 0.00 H new ATOM 0 HE ARG A 217 10.361 -8.058 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 217 7.019 -9.192 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 217 7.249 -10.450 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 217 10.640 -9.676 -1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 217 9.287 -10.722 -1.583 1.00 0.00 H new ATOM 142 N VAL A 218 8.174 -3.337 3.303 1.00 0.00 N ATOM 143 CA VAL A 218 8.181 -2.424 4.437 1.00 0.00 C ATOM 144 C VAL A 218 7.426 -3.004 5.626 1.00 0.00 C ATOM 145 O VAL A 218 6.949 -4.138 5.584 1.00 0.00 O ATOM 146 CB VAL A 218 7.544 -1.072 4.063 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.193 -0.502 2.811 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.040 -1.221 3.875 1.00 0.00 C ATOM 0 H VAL A 218 7.381 -3.979 3.281 1.00 0.00 H new ATOM 0 HA VAL A 218 9.225 -2.275 4.712 1.00 0.00 H new ATOM 0 HB VAL A 218 7.715 -0.373 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.729 0.453 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.258 -0.353 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 218 8.057 -1.197 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.609 -0.255 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.842 -1.937 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.591 -1.578 4.802 1.00 0.00 H new ATOM 158 N LEU A 219 7.306 -2.203 6.678 1.00 0.00 N ATOM 159 CA LEU A 219 6.590 -2.613 7.875 1.00 0.00 C ATOM 160 C LEU A 219 5.490 -1.615 8.201 1.00 0.00 C ATOM 161 O LEU A 219 5.758 -0.435 8.413 1.00 0.00 O ATOM 162 CB LEU A 219 7.540 -2.726 9.068 1.00 0.00 C ATOM 163 CG LEU A 219 8.661 -3.756 8.923 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.395 -3.921 10.245 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.105 -5.092 8.448 1.00 0.00 C ATOM 0 H LEU A 219 7.698 -1.262 6.724 1.00 0.00 H new ATOM 0 HA LEU A 219 6.149 -3.591 7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 219 7.989 -1.749 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 219 6.955 -2.974 9.954 1.00 0.00 H new ATOM 0 HG LEU A 219 9.368 -3.398 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.191 -4.657 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.825 -2.965 10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.696 -4.260 11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.919 -5.811 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.378 -5.462 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.620 -4.961 7.481 1.00 0.00 H new ATOM 177 N VAL A 220 4.256 -2.093 8.250 1.00 0.00 N ATOM 178 CA VAL A 220 3.125 -1.230 8.562 1.00 0.00 C ATOM 179 C VAL A 220 2.934 -1.141 10.072 1.00 0.00 C ATOM 180 O VAL A 220 2.574 -2.124 10.723 1.00 0.00 O ATOM 181 CB VAL A 220 1.809 -1.709 7.897 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.170 -0.579 7.102 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.046 -2.923 7.009 1.00 0.00 C ATOM 0 H VAL A 220 4.012 -3.068 8.079 1.00 0.00 H new ATOM 0 HA VAL A 220 3.356 -0.245 8.156 1.00 0.00 H new ATOM 0 HB VAL A 220 1.123 -2.007 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.248 -0.934 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 220 0.946 0.254 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.858 -0.247 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.103 -3.233 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.757 -2.666 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.448 -3.740 7.609 1.00 0.00 H new ATOM 193 N GLY A 221 3.196 0.038 10.623 1.00 0.00 N ATOM 194 CA GLY A 221 3.065 0.235 12.055 1.00 0.00 C ATOM 195 C GLY A 221 4.328 -0.141 12.811 1.00 0.00 C ATOM 196 O GLY A 221 4.422 0.081 14.019 1.00 0.00 O ATOM 0 H GLY A 221 3.497 0.862 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.823 1.279 12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.232 -0.362 12.426 1.00 0.00 H new ATOM 200 N GLY A 222 5.303 -0.709 12.102 1.00 0.00 N ATOM 201 CA GLY A 222 6.551 -1.104 12.733 1.00 0.00 C ATOM 202 C GLY A 222 6.525 -2.532 13.241 1.00 0.00 C ATOM 203 O GLY A 222 7.564 -3.182 13.337 1.00 0.00 O ATOM 0 H GLY A 222 5.250 -0.902 11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.366 -0.992 12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.762 -0.431 13.564 1.00 0.00 H new ATOM 207 N THR A 223 5.334 -3.020 13.569 1.00 0.00 N ATOM 208 CA THR A 223 5.176 -4.378 14.072 1.00 0.00 C ATOM 209 C THR A 223 4.719 -5.319 12.964 1.00 0.00 C ATOM 210 O THR A 223 5.001 -6.518 13.000 1.00 0.00 O ATOM 211 CB THR A 223 4.171 -4.398 15.222 1.00 0.00 C ATOM 212 OG1 THR A 223 2.963 -3.761 14.841 1.00 0.00 O ATOM 213 CG2 THR A 223 4.680 -3.710 16.469 1.00 0.00 C ATOM 0 H THR A 223 4.463 -2.494 13.495 1.00 0.00 H new ATOM 0 HA THR A 223 6.144 -4.722 14.436 1.00 0.00 H new ATOM 0 HB THR A 223 4.007 -5.452 15.448 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.331 -3.785 15.589 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.919 -3.759 17.248 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.586 -4.207 16.815 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.902 -2.667 16.244 1.00 0.00 H new ATOM 221 N LYS A 224 4.011 -4.771 11.983 1.00 0.00 N ATOM 222 CA LYS A 224 3.513 -5.564 10.867 1.00 0.00 C ATOM 223 C LYS A 224 4.412 -5.400 9.646 1.00 0.00 C ATOM 224 O LYS A 224 5.015 -4.347 9.448 1.00 0.00 O ATOM 225 CB LYS A 224 2.079 -5.152 10.521 1.00 0.00 C ATOM 226 CG LYS A 224 1.218 -4.826 11.734 1.00 0.00 C ATOM 227 CD LYS A 224 0.644 -6.083 12.368 1.00 0.00 C ATOM 228 CE LYS A 224 1.703 -6.851 13.141 1.00 0.00 C ATOM 229 NZ LYS A 224 1.135 -7.533 14.336 1.00 0.00 N ATOM 0 H LYS A 224 3.769 -3.781 11.938 1.00 0.00 H new ATOM 0 HA LYS A 224 3.519 -6.613 11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.110 -4.281 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.606 -5.957 9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.815 -4.287 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.405 -4.164 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.173 -5.813 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.223 -6.723 11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 224 2.165 -7.590 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.491 -6.166 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.890 -8.045 14.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.717 -6.826 14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.401 -8.205 14.036 1.00 0.00 H new ATOM 243 N ALA A 225 4.502 -6.448 8.832 1.00 0.00 N ATOM 244 CA ALA A 225 5.330 -6.412 7.632 1.00 0.00 C ATOM 245 C ALA A 225 4.492 -6.628 6.380 1.00 0.00 C ATOM 246 O ALA A 225 3.528 -7.390 6.392 1.00 0.00 O ATOM 247 CB ALA A 225 6.430 -7.459 7.710 1.00 0.00 C ATOM 0 H ALA A 225 4.013 -7.330 8.982 1.00 0.00 H new ATOM 0 HA ALA A 225 5.786 -5.424 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.037 -7.417 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.058 -7.262 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 225 5.984 -8.449 7.802 1.00 0.00 H new ATOM 253 N GLY A 226 4.867 -5.950 5.301 1.00 0.00 N ATOM 254 CA GLY A 226 4.137 -6.083 4.057 1.00 0.00 C ATOM 255 C GLY A 226 4.788 -5.329 2.915 1.00 0.00 C ATOM 256 O GLY A 226 5.917 -4.856 3.035 1.00 0.00 O ATOM 0 H GLY A 226 5.662 -5.312 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.063 -7.138 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.120 -5.717 4.196 1.00 0.00 H new ATOM 260 N VAL A 227 4.069 -5.220 1.803 1.00 0.00 N ATOM 261 CA VAL A 227 4.574 -4.520 0.628 1.00 0.00 C ATOM 262 C VAL A 227 3.671 -3.346 0.263 1.00 0.00 C ATOM 263 O VAL A 227 2.450 -3.480 0.224 1.00 0.00 O ATOM 264 CB VAL A 227 4.686 -5.474 -0.581 1.00 0.00 C ATOM 265 CG1 VAL A 227 5.005 -4.705 -1.856 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.735 -6.543 -0.320 1.00 0.00 C ATOM 0 H VAL A 227 3.133 -5.609 1.691 1.00 0.00 H new ATOM 0 HA VAL A 227 5.566 -4.144 0.876 1.00 0.00 H new ATOM 0 HB VAL A 227 3.722 -5.963 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.078 -5.401 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.213 -3.983 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.953 -4.180 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.801 -7.207 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.702 -6.070 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.455 -7.120 0.561 1.00 0.00 H new ATOM 276 N VAL A 228 4.279 -2.200 -0.015 1.00 0.00 N ATOM 277 CA VAL A 228 3.523 -1.012 -0.386 1.00 0.00 C ATOM 278 C VAL A 228 2.730 -1.255 -1.665 1.00 0.00 C ATOM 279 O VAL A 228 3.265 -1.763 -2.649 1.00 0.00 O ATOM 280 CB VAL A 228 4.450 0.201 -0.584 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.636 1.469 -0.798 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.386 0.350 0.605 1.00 0.00 C ATOM 0 H VAL A 228 5.290 -2.068 0.009 1.00 0.00 H new ATOM 0 HA VAL A 228 2.834 -0.797 0.431 1.00 0.00 H new ATOM 0 HB VAL A 228 5.054 0.035 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.310 2.315 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.011 1.355 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.004 1.647 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.036 1.212 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.801 0.495 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 228 5.994 -0.549 0.704 1.00 0.00 H new ATOM 292 N ARG A 229 1.449 -0.904 -1.640 1.00 0.00 N ATOM 293 CA ARG A 229 0.584 -1.101 -2.796 1.00 0.00 C ATOM 294 C ARG A 229 0.015 0.224 -3.298 1.00 0.00 C ATOM 295 O ARG A 229 -0.158 0.419 -4.502 1.00 0.00 O ATOM 296 CB ARG A 229 -0.554 -2.062 -2.443 1.00 0.00 C ATOM 297 CG ARG A 229 -0.106 -3.256 -1.618 1.00 0.00 C ATOM 298 CD ARG A 229 0.963 -4.063 -2.338 1.00 0.00 C ATOM 299 NE ARG A 229 0.391 -5.168 -3.104 1.00 0.00 N ATOM 300 CZ ARG A 229 -0.024 -5.066 -4.365 1.00 0.00 C ATOM 301 NH1 ARG A 229 0.058 -3.910 -5.012 1.00 0.00 N ATOM 302 NH2 ARG A 229 -0.526 -6.128 -4.983 1.00 0.00 N ATOM 0 H ARG A 229 0.988 -0.483 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 229 1.185 -1.533 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.321 -1.517 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.016 -2.419 -3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.281 -2.912 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.963 -3.895 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.522 -3.409 -3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.673 -4.456 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 229 0.304 -6.074 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 229 0.442 -3.089 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 229 -0.263 -3.842 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -0.593 -7.019 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -0.845 -6.053 -5.949 1.00 0.00 H new ATOM 316 N PHE A 230 -0.272 1.133 -2.374 1.00 0.00 N ATOM 317 CA PHE A 230 -0.819 2.438 -2.731 1.00 0.00 C ATOM 318 C PHE A 230 -0.427 3.490 -1.700 1.00 0.00 C ATOM 319 O PHE A 230 -0.282 3.187 -0.521 1.00 0.00 O ATOM 320 CB PHE A 230 -2.343 2.361 -2.847 1.00 0.00 C ATOM 321 CG PHE A 230 -2.951 3.543 -3.547 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.766 3.730 -4.907 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.708 4.467 -2.844 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.325 4.816 -5.553 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.268 5.556 -3.484 1.00 0.00 C ATOM 326 CZ PHE A 230 -4.076 5.730 -4.841 1.00 0.00 C ATOM 0 H PHE A 230 -0.136 0.992 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.404 2.728 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.613 1.452 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.772 2.280 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.178 3.019 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.862 4.334 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.175 4.950 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.855 6.270 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.513 6.580 -5.344 1.00 0.00 H new ATOM 336 N LEU A 231 -0.256 4.728 -2.150 1.00 0.00 N ATOM 337 CA LEU A 231 0.118 5.813 -1.250 1.00 0.00 C ATOM 338 C LEU A 231 -0.737 7.050 -1.501 1.00 0.00 C ATOM 339 O LEU A 231 -0.805 7.555 -2.621 1.00 0.00 O ATOM 340 CB LEU A 231 1.602 6.153 -1.411 1.00 0.00 C ATOM 341 CG LEU A 231 2.551 4.955 -1.313 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.275 4.734 -2.632 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.552 5.155 -0.184 1.00 0.00 C ATOM 0 H LEU A 231 -0.369 5.004 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.057 5.479 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.747 6.635 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.878 6.881 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 231 1.957 4.068 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.944 3.878 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.546 4.542 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.854 5.623 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.217 4.293 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.138 6.055 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.019 5.261 0.761 1.00 0.00 H new ATOM 355 N GLY A 232 -1.389 7.533 -0.448 1.00 0.00 N ATOM 356 CA GLY A 232 -2.233 8.707 -0.568 1.00 0.00 C ATOM 357 C GLY A 232 -3.127 8.903 0.640 1.00 0.00 C ATOM 358 O GLY A 232 -3.039 8.154 1.612 1.00 0.00 O ATOM 0 H GLY A 232 -1.347 7.131 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.607 9.589 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.850 8.618 -1.462 1.00 0.00 H new ATOM 362 N GLU A 233 -3.990 9.911 0.579 1.00 0.00 N ATOM 363 CA GLU A 233 -4.901 10.200 1.679 1.00 0.00 C ATOM 364 C GLU A 233 -6.101 9.258 1.651 1.00 0.00 C ATOM 365 O GLU A 233 -6.477 8.747 0.596 1.00 0.00 O ATOM 366 CB GLU A 233 -5.376 11.652 1.611 1.00 0.00 C ATOM 367 CG GLU A 233 -4.250 12.652 1.405 1.00 0.00 C ATOM 368 CD GLU A 233 -4.632 13.773 0.457 1.00 0.00 C ATOM 369 OE1 GLU A 233 -4.948 13.477 -0.715 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.613 14.945 0.887 1.00 0.00 O ATOM 0 H GLU A 233 -4.077 10.540 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.362 10.047 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.094 11.753 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.904 11.896 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -3.965 13.076 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.375 12.133 1.014 1.00 0.00 H new ATOM 377 N THR A 234 -6.697 9.032 2.817 1.00 0.00 N ATOM 378 CA THR A 234 -7.853 8.151 2.925 1.00 0.00 C ATOM 379 C THR A 234 -9.145 8.956 3.009 1.00 0.00 C ATOM 380 O THR A 234 -9.117 10.178 3.156 1.00 0.00 O ATOM 381 CB THR A 234 -7.721 7.248 4.153 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.905 7.993 5.344 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.379 6.557 4.247 1.00 0.00 C ATOM 0 H THR A 234 -6.398 9.447 3.700 1.00 0.00 H new ATOM 0 HA THR A 234 -7.890 7.531 2.029 1.00 0.00 H new ATOM 0 HB THR A 234 -8.494 6.489 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 234 -8.288 7.414 6.036 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.353 5.933 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.228 5.935 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.588 7.305 4.304 1.00 0.00 H new ATOM 391 N ASP A 235 -10.274 8.263 2.912 1.00 0.00 N ATOM 392 CA ASP A 235 -11.577 8.914 2.977 1.00 0.00 C ATOM 393 C ASP A 235 -12.143 8.891 4.397 1.00 0.00 C ATOM 394 O ASP A 235 -13.253 9.366 4.635 1.00 0.00 O ATOM 395 CB ASP A 235 -12.554 8.233 2.018 1.00 0.00 C ATOM 396 CG ASP A 235 -12.284 8.585 0.569 1.00 0.00 C ATOM 397 OD1 ASP A 235 -11.112 8.491 0.145 1.00 0.00 O ATOM 398 OD2 ASP A 235 -13.241 8.952 -0.143 1.00 0.00 O ATOM 0 H ASP A 235 -10.313 7.251 2.788 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.444 9.955 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.489 7.152 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.573 8.523 2.275 1.00 0.00 H new ATOM 403 N PHE A 236 -11.377 8.341 5.339 1.00 0.00 N ATOM 404 CA PHE A 236 -11.822 8.267 6.728 1.00 0.00 C ATOM 405 C PHE A 236 -10.814 8.926 7.674 1.00 0.00 C ATOM 406 O PHE A 236 -11.145 9.244 8.815 1.00 0.00 O ATOM 407 CB PHE A 236 -12.050 6.806 7.137 1.00 0.00 C ATOM 408 CG PHE A 236 -10.794 6.063 7.507 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.770 5.896 6.588 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.639 5.535 8.779 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.617 5.215 6.930 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.488 4.853 9.126 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.477 4.694 8.201 1.00 0.00 C ATOM 0 H PHE A 236 -10.453 7.944 5.167 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.763 8.812 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.736 6.781 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.539 6.283 6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -9.874 6.303 5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.427 5.658 9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -7.827 5.091 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.380 4.445 10.120 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.577 4.162 8.471 1.00 0.00 H new ATOM 423 N ALA A 237 -9.587 9.129 7.197 1.00 0.00 N ATOM 424 CA ALA A 237 -8.548 9.747 8.011 1.00 0.00 C ATOM 425 C ALA A 237 -8.023 11.022 7.359 1.00 0.00 C ATOM 426 O ALA A 237 -7.943 11.118 6.135 1.00 0.00 O ATOM 427 CB ALA A 237 -7.410 8.766 8.247 1.00 0.00 C ATOM 0 H ALA A 237 -9.291 8.875 6.255 1.00 0.00 H new ATOM 0 HA ALA A 237 -8.987 10.017 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.641 9.241 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.790 7.885 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -6.982 8.468 7.290 1.00 0.00 H new ATOM 433 N LYS A 238 -7.663 11.997 8.187 1.00 0.00 N ATOM 434 CA LYS A 238 -7.143 13.266 7.691 1.00 0.00 C ATOM 435 C LYS A 238 -5.618 13.243 7.641 1.00 0.00 C ATOM 436 O LYS A 238 -4.956 13.045 8.659 1.00 0.00 O ATOM 437 CB LYS A 238 -7.618 14.418 8.579 1.00 0.00 C ATOM 438 CG LYS A 238 -9.094 14.341 8.936 1.00 0.00 C ATOM 439 CD LYS A 238 -9.479 15.410 9.946 1.00 0.00 C ATOM 440 CE LYS A 238 -8.964 15.074 11.336 1.00 0.00 C ATOM 441 NZ LYS A 238 -8.708 16.298 12.144 1.00 0.00 N ATOM 0 H LYS A 238 -7.722 11.933 9.203 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.522 13.417 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.030 14.425 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -7.424 15.362 8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -9.694 14.458 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -9.320 13.356 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -9.076 16.372 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -10.564 15.512 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -9.691 14.445 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -8.044 14.495 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -8.358 16.026 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -7.996 16.887 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -9.591 16.838 12.246 1.00 0.00 H new ATOM 455 N GLY A 239 -5.067 13.449 6.449 1.00 0.00 N ATOM 456 CA GLY A 239 -3.624 13.448 6.287 1.00 0.00 C ATOM 457 C GLY A 239 -3.158 12.469 5.228 1.00 0.00 C ATOM 458 O GLY A 239 -3.958 11.975 4.433 1.00 0.00 O ATOM 0 H GLY A 239 -5.594 13.617 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.291 14.451 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.155 13.199 7.239 1.00 0.00 H new ATOM 462 N GLU A 240 -1.858 12.186 5.216 1.00 0.00 N ATOM 463 CA GLU A 240 -1.287 11.259 4.245 1.00 0.00 C ATOM 464 C GLU A 240 -1.277 9.835 4.793 1.00 0.00 C ATOM 465 O GLU A 240 -0.917 9.606 5.947 1.00 0.00 O ATOM 466 CB GLU A 240 0.137 11.686 3.878 1.00 0.00 C ATOM 467 CG GLU A 240 1.018 11.969 5.085 1.00 0.00 C ATOM 468 CD GLU A 240 2.482 12.105 4.718 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.776 12.346 3.529 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.335 11.974 5.621 1.00 0.00 O ATOM 0 H GLU A 240 -1.182 12.585 5.867 1.00 0.00 H new ATOM 0 HA GLU A 240 -1.909 11.281 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.599 10.902 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 240 0.090 12.579 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.682 12.886 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.902 11.165 5.811 1.00 0.00 H new ATOM 477 N TRP A 241 -1.678 8.884 3.956 1.00 0.00 N ATOM 478 CA TRP A 241 -1.718 7.482 4.356 1.00 0.00 C ATOM 479 C TRP A 241 -1.092 6.592 3.286 1.00 0.00 C ATOM 480 O TRP A 241 -0.905 7.015 2.146 1.00 0.00 O ATOM 481 CB TRP A 241 -3.161 7.050 4.623 1.00 0.00 C ATOM 482 CG TRP A 241 -3.739 7.668 5.860 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.232 8.934 5.990 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.881 7.047 7.142 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.671 9.139 7.275 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.466 7.995 8.002 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.570 5.781 7.645 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.746 7.716 9.338 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.849 5.506 8.970 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.431 6.469 9.804 1.00 0.00 C ATOM 0 H TRP A 241 -1.980 9.058 2.997 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.139 7.372 5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.779 7.319 3.766 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.198 5.964 4.715 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.271 9.667 5.198 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -5.083 10.002 7.631 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.120 5.032 7.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.195 8.457 9.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.614 4.531 9.370 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.635 6.222 10.835 1.00 0.00 H new ATOM 501 N CYS A 242 -0.767 5.358 3.662 1.00 0.00 N ATOM 502 CA CYS A 242 -0.160 4.413 2.731 1.00 0.00 C ATOM 503 C CYS A 242 -0.768 3.022 2.892 1.00 0.00 C ATOM 504 O CYS A 242 -1.281 2.672 3.954 1.00 0.00 O ATOM 505 CB CYS A 242 1.358 4.354 2.946 1.00 0.00 C ATOM 506 SG CYS A 242 2.200 3.070 1.989 1.00 0.00 S ATOM 0 H CYS A 242 -0.913 4.990 4.602 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.361 4.759 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.787 5.322 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.556 4.189 4.005 1.00 0.00 H new ATOM 0 HG CYS A 242 3.475 3.107 2.241 1.00 0.00 H new ATOM 512 N GLY A 243 -0.702 2.238 1.824 1.00 0.00 N ATOM 513 CA GLY A 243 -1.238 0.892 1.842 1.00 0.00 C ATOM 514 C GLY A 243 -0.154 -0.154 1.708 1.00 0.00 C ATOM 515 O GLY A 243 0.661 -0.098 0.788 1.00 0.00 O ATOM 0 H GLY A 243 -0.282 2.515 0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.783 0.732 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.955 0.777 1.029 1.00 0.00 H new ATOM 519 N VAL A 244 -0.137 -1.110 2.629 1.00 0.00 N ATOM 520 CA VAL A 244 0.862 -2.170 2.608 1.00 0.00 C ATOM 521 C VAL A 244 0.207 -3.542 2.711 1.00 0.00 C ATOM 522 O VAL A 244 -0.632 -3.776 3.581 1.00 0.00 O ATOM 523 CB VAL A 244 1.875 -2.014 3.764 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.111 -2.866 3.515 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.261 -0.554 3.957 1.00 0.00 C ATOM 0 H VAL A 244 -0.803 -1.173 3.399 1.00 0.00 H new ATOM 0 HA VAL A 244 1.389 -2.088 1.657 1.00 0.00 H new ATOM 0 HB VAL A 244 1.397 -2.362 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.811 -2.741 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.821 -3.914 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.587 -2.554 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 244 2.975 -0.472 4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.714 -0.173 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.371 0.030 4.191 1.00 0.00 H new ATOM 535 N GLU A 245 0.602 -4.448 1.823 1.00 0.00 N ATOM 536 CA GLU A 245 0.062 -5.801 1.821 1.00 0.00 C ATOM 537 C GLU A 245 0.823 -6.665 2.816 1.00 0.00 C ATOM 538 O GLU A 245 2.001 -6.962 2.619 1.00 0.00 O ATOM 539 CB GLU A 245 0.148 -6.407 0.419 1.00 0.00 C ATOM 540 CG GLU A 245 -0.398 -7.822 0.335 1.00 0.00 C ATOM 541 CD GLU A 245 0.019 -8.532 -0.939 1.00 0.00 C ATOM 542 OE1 GLU A 245 0.311 -7.839 -1.936 1.00 0.00 O ATOM 543 OE2 GLU A 245 0.051 -9.781 -0.941 1.00 0.00 O ATOM 0 H GLU A 245 1.294 -4.269 1.096 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.986 -5.761 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.401 -5.772 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.189 -6.408 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -0.051 -8.393 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.486 -7.792 0.391 1.00 0.00 H new ATOM 550 N LEU A 246 0.150 -7.054 3.891 1.00 0.00 N ATOM 551 CA LEU A 246 0.774 -7.867 4.925 1.00 0.00 C ATOM 552 C LEU A 246 1.091 -9.270 4.416 1.00 0.00 C ATOM 553 O LEU A 246 0.336 -9.846 3.635 1.00 0.00 O ATOM 554 CB LEU A 246 -0.134 -7.949 6.152 1.00 0.00 C ATOM 555 CG LEU A 246 -0.418 -6.608 6.833 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.449 -6.780 7.935 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.867 -6.011 7.388 1.00 0.00 C ATOM 0 H LEU A 246 -0.827 -6.820 4.069 1.00 0.00 H new ATOM 0 HA LEU A 246 1.713 -7.389 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.082 -8.397 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.322 -8.620 6.880 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.822 -5.921 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.639 -5.817 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.376 -7.164 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.073 -7.482 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.647 -5.058 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.300 -6.695 8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.575 -5.852 6.575 1.00 0.00 H new ATOM 569 N ASP A 247 2.219 -9.806 4.869 1.00 0.00 N ATOM 570 CA ASP A 247 2.654 -11.139 4.469 1.00 0.00 C ATOM 571 C ASP A 247 1.740 -12.214 5.050 1.00 0.00 C ATOM 572 O ASP A 247 1.621 -13.307 4.494 1.00 0.00 O ATOM 573 CB ASP A 247 4.096 -11.377 4.921 1.00 0.00 C ATOM 574 CG ASP A 247 5.107 -10.739 3.989 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.237 -11.214 2.841 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.768 -9.765 4.406 1.00 0.00 O ATOM 0 H ASP A 247 2.851 -9.335 5.516 1.00 0.00 H new ATOM 0 HA ASP A 247 2.602 -11.201 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.229 -10.977 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.284 -12.449 4.977 1.00 0.00 H new ATOM 581 N GLU A 248 1.098 -11.901 6.171 1.00 0.00 N ATOM 582 CA GLU A 248 0.196 -12.843 6.825 1.00 0.00 C ATOM 583 C GLU A 248 -1.104 -12.156 7.238 1.00 0.00 C ATOM 584 O GLU A 248 -1.200 -10.929 7.213 1.00 0.00 O ATOM 585 CB GLU A 248 0.877 -13.460 8.050 1.00 0.00 C ATOM 586 CG GLU A 248 1.395 -14.869 7.811 1.00 0.00 C ATOM 587 CD GLU A 248 1.850 -15.546 9.090 1.00 0.00 C ATOM 588 OE1 GLU A 248 2.213 -14.828 10.045 1.00 0.00 O ATOM 589 OE2 GLU A 248 1.844 -16.795 9.135 1.00 0.00 O ATOM 0 H GLU A 248 1.185 -11.002 6.646 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.046 -13.634 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.708 -12.823 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.169 -13.477 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.611 -15.467 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 248 2.227 -14.832 7.108 1.00 0.00 H new ATOM 596 N PRO A 249 -2.125 -12.939 7.629 1.00 0.00 N ATOM 597 CA PRO A 249 -3.422 -12.395 8.051 1.00 0.00 C ATOM 598 C PRO A 249 -3.317 -11.611 9.356 1.00 0.00 C ATOM 599 O PRO A 249 -3.819 -12.040 10.394 1.00 0.00 O ATOM 600 CB PRO A 249 -4.293 -13.639 8.239 1.00 0.00 C ATOM 601 CG PRO A 249 -3.327 -14.746 8.492 1.00 0.00 C ATOM 602 CD PRO A 249 -2.100 -14.412 7.692 1.00 0.00 C ATOM 0 HA PRO A 249 -3.825 -11.690 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.982 -13.517 9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.897 -13.836 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.092 -14.824 9.553 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.744 -15.706 8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.194 -14.778 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.135 -14.858 6.698 1.00 0.00 H new ATOM 610 N LEU A 250 -2.658 -10.459 9.290 1.00 0.00 N ATOM 611 CA LEU A 250 -2.480 -9.611 10.464 1.00 0.00 C ATOM 612 C LEU A 250 -2.957 -8.187 10.191 1.00 0.00 C ATOM 613 O LEU A 250 -2.454 -7.232 10.782 1.00 0.00 O ATOM 614 CB LEU A 250 -1.011 -9.596 10.891 1.00 0.00 C ATOM 615 CG LEU A 250 0.002 -9.562 9.740 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.908 -8.347 9.854 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.828 -10.841 9.719 1.00 0.00 C ATOM 0 H LEU A 250 -2.238 -10.091 8.436 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.083 -10.026 11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.843 -8.727 11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.817 -10.479 11.499 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.550 -9.490 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.618 -8.344 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.306 -7.439 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.451 -8.385 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.542 -10.800 8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.366 -10.942 10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.168 -11.698 9.584 1.00 0.00 H new ATOM 629 N GLY A 251 -3.927 -8.052 9.293 1.00 0.00 N ATOM 630 CA GLY A 251 -4.450 -6.740 8.961 1.00 0.00 C ATOM 631 C GLY A 251 -5.842 -6.511 9.515 1.00 0.00 C ATOM 632 O GLY A 251 -6.256 -7.177 10.464 1.00 0.00 O ATOM 0 H GLY A 251 -4.360 -8.827 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.778 -5.976 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.471 -6.625 7.877 1.00 0.00 H new ATOM 636 N LYS A 252 -6.566 -5.565 8.926 1.00 0.00 N ATOM 637 CA LYS A 252 -7.919 -5.250 9.372 1.00 0.00 C ATOM 638 C LYS A 252 -8.910 -5.322 8.214 1.00 0.00 C ATOM 639 O LYS A 252 -10.016 -5.840 8.364 1.00 0.00 O ATOM 640 CB LYS A 252 -7.959 -3.857 10.005 1.00 0.00 C ATOM 641 CG LYS A 252 -6.763 -3.553 10.893 1.00 0.00 C ATOM 642 CD LYS A 252 -6.786 -4.387 12.163 1.00 0.00 C ATOM 643 CE LYS A 252 -5.384 -4.638 12.690 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.356 -5.731 13.701 1.00 0.00 N ATOM 0 H LYS A 252 -6.239 -5.004 8.140 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.207 -5.991 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -8.011 -3.110 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.871 -3.762 10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.842 -3.749 10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.760 -2.494 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.376 -3.876 12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.277 -5.340 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -4.725 -4.895 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -4.995 -3.722 13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.381 -5.870 14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -5.964 -5.476 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -5.703 -6.612 13.270 1.00 0.00 H new ATOM 658 N ASN A 253 -8.511 -4.794 7.060 1.00 0.00 N ATOM 659 CA ASN A 253 -9.370 -4.799 5.881 1.00 0.00 C ATOM 660 C ASN A 253 -8.778 -5.664 4.773 1.00 0.00 C ATOM 661 O ASN A 253 -7.652 -6.149 4.885 1.00 0.00 O ATOM 662 CB ASN A 253 -9.581 -3.371 5.372 1.00 0.00 C ATOM 663 CG ASN A 253 -8.300 -2.740 4.865 1.00 0.00 C ATOM 664 OD1 ASN A 253 -8.077 -2.640 3.658 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.448 -2.307 5.787 1.00 0.00 N ATOM 0 H ASN A 253 -7.600 -4.358 6.917 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.332 -5.222 6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.320 -3.380 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.990 -2.759 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.570 -1.872 5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.672 -2.410 6.777 1.00 0.00 H new ATOM 672 N ASP A 254 -9.548 -5.856 3.707 1.00 0.00 N ATOM 673 CA ASP A 254 -9.103 -6.663 2.577 1.00 0.00 C ATOM 674 C ASP A 254 -8.620 -5.785 1.426 1.00 0.00 C ATOM 675 O ASP A 254 -8.645 -6.197 0.267 1.00 0.00 O ATOM 676 CB ASP A 254 -10.235 -7.576 2.100 1.00 0.00 C ATOM 677 CG ASP A 254 -11.422 -6.797 1.566 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.837 -5.822 2.226 1.00 0.00 O ATOM 679 OD2 ASP A 254 -11.937 -7.163 0.488 1.00 0.00 O ATOM 0 H ASP A 254 -10.484 -5.463 3.602 1.00 0.00 H new ATOM 0 HA ASP A 254 -8.265 -7.275 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.859 -8.239 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.561 -8.208 2.926 1.00 0.00 H new ATOM 684 N GLY A 255 -8.177 -4.574 1.752 1.00 0.00 N ATOM 685 CA GLY A 255 -7.690 -3.663 0.731 1.00 0.00 C ATOM 686 C GLY A 255 -8.654 -2.527 0.443 1.00 0.00 C ATOM 687 O GLY A 255 -8.569 -1.885 -0.604 1.00 0.00 O ATOM 0 H GLY A 255 -8.147 -4.208 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.733 -3.249 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.508 -4.220 -0.188 1.00 0.00 H new ATOM 691 N ALA A 256 -9.574 -2.276 1.370 1.00 0.00 N ATOM 692 CA ALA A 256 -10.553 -1.208 1.199 1.00 0.00 C ATOM 693 C ALA A 256 -10.755 -0.433 2.498 1.00 0.00 C ATOM 694 O ALA A 256 -10.455 -0.929 3.583 1.00 0.00 O ATOM 695 CB ALA A 256 -11.874 -1.775 0.705 1.00 0.00 C ATOM 0 H ALA A 256 -9.662 -2.795 2.244 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.169 -0.514 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.594 -0.966 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.721 -2.273 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.256 -2.493 1.430 1.00 0.00 H new ATOM 701 N VAL A 257 -11.266 0.789 2.376 1.00 0.00 N ATOM 702 CA VAL A 257 -11.507 1.635 3.536 1.00 0.00 C ATOM 703 C VAL A 257 -12.801 2.429 3.381 1.00 0.00 C ATOM 704 O VAL A 257 -12.961 3.196 2.432 1.00 0.00 O ATOM 705 CB VAL A 257 -10.341 2.617 3.766 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.545 3.410 5.049 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.016 1.869 3.792 1.00 0.00 C ATOM 0 H VAL A 257 -11.521 1.214 1.484 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.592 0.973 4.397 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.318 3.325 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.710 4.096 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.473 3.978 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.599 2.725 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.202 2.576 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.028 1.136 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.868 1.358 2.840 1.00 0.00 H new ATOM 717 N ALA A 258 -13.721 2.241 4.323 1.00 0.00 N ATOM 718 CA ALA A 258 -15.000 2.941 4.295 1.00 0.00 C ATOM 719 C ALA A 258 -15.759 2.657 3.001 1.00 0.00 C ATOM 720 O ALA A 258 -16.569 3.470 2.555 1.00 0.00 O ATOM 721 CB ALA A 258 -14.786 4.438 4.468 1.00 0.00 C ATOM 0 H ALA A 258 -13.604 1.609 5.115 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.604 2.573 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.749 4.948 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.297 4.628 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.158 4.812 3.659 1.00 0.00 H new ATOM 727 N GLY A 259 -15.493 1.501 2.403 1.00 0.00 N ATOM 728 CA GLY A 259 -16.161 1.135 1.166 1.00 0.00 C ATOM 729 C GLY A 259 -15.391 1.568 -0.069 1.00 0.00 C ATOM 730 O GLY A 259 -15.888 1.448 -1.188 1.00 0.00 O ATOM 0 H GLY A 259 -14.828 0.811 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.302 0.054 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.153 1.586 1.147 1.00 0.00 H new ATOM 734 N THR A 260 -14.176 2.073 0.133 1.00 0.00 N ATOM 735 CA THR A 260 -13.342 2.521 -0.976 1.00 0.00 C ATOM 736 C THR A 260 -12.079 1.672 -1.080 1.00 0.00 C ATOM 737 O THR A 260 -11.248 1.667 -0.173 1.00 0.00 O ATOM 738 CB THR A 260 -12.968 3.993 -0.797 1.00 0.00 C ATOM 739 OG1 THR A 260 -14.129 4.795 -0.683 1.00 0.00 O ATOM 740 CG2 THR A 260 -12.141 4.544 -1.939 1.00 0.00 C ATOM 0 H THR A 260 -13.749 2.181 1.053 1.00 0.00 H new ATOM 0 HA THR A 260 -13.912 2.409 -1.898 1.00 0.00 H new ATOM 0 HB THR A 260 -12.371 4.030 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.869 5.733 -0.567 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.910 5.592 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.213 3.978 -2.023 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.703 4.459 -2.869 1.00 0.00 H new ATOM 748 N ARG A 261 -11.941 0.955 -2.190 1.00 0.00 N ATOM 749 CA ARG A 261 -10.781 0.102 -2.409 1.00 0.00 C ATOM 750 C ARG A 261 -9.625 0.898 -3.007 1.00 0.00 C ATOM 751 O ARG A 261 -9.789 1.587 -4.014 1.00 0.00 O ATOM 752 CB ARG A 261 -11.143 -1.064 -3.329 1.00 0.00 C ATOM 753 CG ARG A 261 -10.011 -2.059 -3.523 1.00 0.00 C ATOM 754 CD ARG A 261 -9.904 -2.508 -4.972 1.00 0.00 C ATOM 755 NE ARG A 261 -9.410 -1.442 -5.840 1.00 0.00 N ATOM 756 CZ ARG A 261 -9.486 -1.471 -7.168 1.00 0.00 C ATOM 757 NH1 ARG A 261 -10.037 -2.510 -7.785 1.00 0.00 N ATOM 758 NH2 ARG A 261 -9.012 -0.459 -7.882 1.00 0.00 N ATOM 0 H ARG A 261 -12.619 0.948 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.465 -0.293 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -12.008 -1.585 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.440 -0.670 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -9.070 -1.606 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -10.174 -2.926 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.236 -3.367 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -10.882 -2.837 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 261 -8.981 -0.627 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -10.404 -3.290 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -10.093 -2.528 -8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -8.589 0.342 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -9.070 -0.482 -8.900 1.00 0.00 H new ATOM 772 N TYR A 262 -8.457 0.797 -2.380 1.00 0.00 N ATOM 773 CA TYR A 262 -7.274 1.508 -2.850 1.00 0.00 C ATOM 774 C TYR A 262 -6.345 0.571 -3.615 1.00 0.00 C ATOM 775 O TYR A 262 -5.701 0.973 -4.585 1.00 0.00 O ATOM 776 CB TYR A 262 -6.532 2.138 -1.672 1.00 0.00 C ATOM 777 CG TYR A 262 -7.277 3.286 -1.030 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.374 3.055 -0.206 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.887 4.601 -1.247 1.00 0.00 C ATOM 780 CE1 TYR A 262 -9.059 4.102 0.380 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.567 5.653 -0.664 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.651 5.398 0.149 1.00 0.00 C ATOM 783 OH TYR A 262 -9.331 6.443 0.731 1.00 0.00 O ATOM 0 H TYR A 262 -8.305 0.230 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.598 2.298 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.345 1.372 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.560 2.493 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.695 2.041 -0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -6.038 4.805 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.910 3.906 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.251 6.670 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 262 -9.845 6.920 0.047 1.00 0.00 H new ATOM 793 N PHE A 263 -6.281 -0.680 -3.173 1.00 0.00 N ATOM 794 CA PHE A 263 -5.434 -1.677 -3.817 1.00 0.00 C ATOM 795 C PHE A 263 -5.999 -3.079 -3.613 1.00 0.00 C ATOM 796 O PHE A 263 -6.919 -3.280 -2.821 1.00 0.00 O ATOM 797 CB PHE A 263 -4.009 -1.602 -3.267 1.00 0.00 C ATOM 798 CG PHE A 263 -3.946 -1.503 -1.770 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.129 -0.285 -1.134 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.703 -2.627 -0.997 1.00 0.00 C ATOM 801 CE1 PHE A 263 -4.072 -0.189 0.243 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.644 -2.538 0.381 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.829 -1.319 1.002 1.00 0.00 C ATOM 0 H PHE A 263 -6.806 -1.028 -2.371 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.412 -1.464 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.458 -2.486 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.506 -0.738 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.319 0.600 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.558 -3.584 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.217 0.766 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.453 -3.422 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.784 -1.248 2.079 1.00 0.00 H new ATOM 813 N GLN A 264 -5.443 -4.048 -4.335 1.00 0.00 N ATOM 814 CA GLN A 264 -5.894 -5.430 -4.231 1.00 0.00 C ATOM 815 C GLN A 264 -4.896 -6.273 -3.444 1.00 0.00 C ATOM 816 O GLN A 264 -3.696 -6.247 -3.716 1.00 0.00 O ATOM 817 CB GLN A 264 -6.096 -6.027 -5.624 1.00 0.00 C ATOM 818 CG GLN A 264 -6.988 -7.259 -5.636 1.00 0.00 C ATOM 819 CD GLN A 264 -8.332 -7.010 -4.978 1.00 0.00 C ATOM 820 OE1 GLN A 264 -9.048 -6.076 -5.337 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.680 -7.847 -4.009 1.00 0.00 N ATOM 0 H GLN A 264 -4.681 -3.901 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.845 -5.436 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.530 -5.269 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -5.124 -6.289 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -7.145 -7.580 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.481 -8.076 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -8.055 -8.608 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.573 -7.729 -3.530 1.00 0.00 H new ATOM 830 N CYS A 265 -5.402 -7.020 -2.468 1.00 0.00 N ATOM 831 CA CYS A 265 -4.556 -7.873 -1.642 1.00 0.00 C ATOM 832 C CYS A 265 -5.352 -9.041 -1.070 1.00 0.00 C ATOM 833 O CYS A 265 -6.583 -9.042 -1.104 1.00 0.00 O ATOM 834 CB CYS A 265 -3.932 -7.061 -0.505 1.00 0.00 C ATOM 835 SG CYS A 265 -5.104 -6.000 0.373 1.00 0.00 S ATOM 0 H CYS A 265 -6.393 -7.052 -2.230 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.762 -8.273 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.474 -7.747 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.132 -6.442 -0.911 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.677 -4.772 0.353 1.00 0.00 H new ATOM 841 N GLN A 266 -4.644 -10.034 -0.543 1.00 0.00 N ATOM 842 CA GLN A 266 -5.284 -11.208 0.039 1.00 0.00 C ATOM 843 C GLN A 266 -6.177 -10.811 1.211 1.00 0.00 C ATOM 844 O GLN A 266 -6.078 -9.698 1.727 1.00 0.00 O ATOM 845 CB GLN A 266 -4.226 -12.210 0.508 1.00 0.00 C ATOM 846 CG GLN A 266 -3.843 -13.230 -0.551 1.00 0.00 C ATOM 847 CD GLN A 266 -2.810 -14.224 -0.057 1.00 0.00 C ATOM 848 OE1 GLN A 266 -1.786 -14.446 -0.703 1.00 0.00 O ATOM 849 NE2 GLN A 266 -3.075 -14.830 1.094 1.00 0.00 N ATOM 0 H GLN A 266 -3.625 -10.049 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 266 -5.903 -11.674 -0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.333 -11.666 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.599 -12.734 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -4.735 -13.768 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.452 -12.711 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -3.936 -14.616 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -2.417 -15.510 1.476 1.00 0.00 H new ATOM 858 N PRO A 267 -7.063 -11.719 1.653 1.00 0.00 N ATOM 859 CA PRO A 267 -7.969 -11.452 2.775 1.00 0.00 C ATOM 860 C PRO A 267 -7.205 -11.185 4.067 1.00 0.00 C ATOM 861 O PRO A 267 -6.331 -11.959 4.453 1.00 0.00 O ATOM 862 CB PRO A 267 -8.798 -12.735 2.893 1.00 0.00 C ATOM 863 CG PRO A 267 -7.992 -13.782 2.201 1.00 0.00 C ATOM 864 CD PRO A 267 -7.254 -13.072 1.103 1.00 0.00 C ATOM 0 HA PRO A 267 -8.577 -10.563 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -8.973 -12.997 3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.776 -12.617 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.298 -14.261 2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.633 -14.566 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.303 -13.554 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.828 -13.054 0.177 1.00 0.00 H new ATOM 872 N LYS A 268 -7.541 -10.083 4.730 1.00 0.00 N ATOM 873 CA LYS A 268 -6.884 -9.709 5.978 1.00 0.00 C ATOM 874 C LYS A 268 -5.399 -9.422 5.757 1.00 0.00 C ATOM 875 O LYS A 268 -4.613 -9.420 6.703 1.00 0.00 O ATOM 876 CB LYS A 268 -7.051 -10.816 7.022 1.00 0.00 C ATOM 877 CG LYS A 268 -8.501 -11.096 7.384 1.00 0.00 C ATOM 878 CD LYS A 268 -8.788 -10.773 8.843 1.00 0.00 C ATOM 879 CE LYS A 268 -10.273 -10.868 9.154 1.00 0.00 C ATOM 880 NZ LYS A 268 -10.619 -12.153 9.824 1.00 0.00 N ATOM 0 H LYS A 268 -8.265 -9.433 4.424 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.358 -8.798 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.596 -11.732 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.507 -10.538 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.157 -10.505 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.728 -12.145 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.236 -11.461 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.431 -9.769 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.564 -10.035 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.844 -10.775 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -11.640 -12.179 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -10.365 -12.948 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -10.094 -12.231 10.718 1.00 0.00 H new ATOM 894 N TYR A 269 -5.022 -9.176 4.504 1.00 0.00 N ATOM 895 CA TYR A 269 -3.630 -8.884 4.168 1.00 0.00 C ATOM 896 C TYR A 269 -3.457 -7.417 3.778 1.00 0.00 C ATOM 897 O TYR A 269 -2.454 -7.046 3.170 1.00 0.00 O ATOM 898 CB TYR A 269 -3.159 -9.777 3.018 1.00 0.00 C ATOM 899 CG TYR A 269 -2.661 -11.134 3.458 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.320 -11.853 4.447 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.530 -11.699 2.880 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.867 -13.095 4.847 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.071 -12.941 3.276 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.742 -13.635 4.259 1.00 0.00 C ATOM 905 OH TYR A 269 -1.289 -14.871 4.655 1.00 0.00 O ATOM 0 H TYR A 269 -5.658 -9.173 3.707 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.025 -9.085 5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -3.982 -9.913 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.362 -9.266 2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.201 -11.434 4.911 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.001 -11.158 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.391 -13.641 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.190 -13.366 2.817 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.488 -15.106 4.142 1.00 0.00 H new ATOM 915 N GLY A 270 -4.438 -6.589 4.126 1.00 0.00 N ATOM 916 CA GLY A 270 -4.366 -5.178 3.795 1.00 0.00 C ATOM 917 C GLY A 270 -4.346 -4.290 5.022 1.00 0.00 C ATOM 918 O GLY A 270 -5.311 -4.253 5.786 1.00 0.00 O ATOM 0 H GLY A 270 -5.279 -6.870 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.470 -4.993 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.220 -4.911 3.172 1.00 0.00 H new ATOM 922 N LEU A 271 -3.245 -3.571 5.209 1.00 0.00 N ATOM 923 CA LEU A 271 -3.101 -2.673 6.348 1.00 0.00 C ATOM 924 C LEU A 271 -2.809 -1.251 5.878 1.00 0.00 C ATOM 925 O LEU A 271 -1.874 -1.020 5.111 1.00 0.00 O ATOM 926 CB LEU A 271 -1.983 -3.163 7.272 1.00 0.00 C ATOM 927 CG LEU A 271 -2.140 -2.774 8.743 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.395 -3.401 9.333 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.908 -3.188 9.538 1.00 0.00 C ATOM 0 H LEU A 271 -2.438 -3.593 4.585 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.040 -2.668 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.926 -4.249 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.034 -2.771 6.908 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.240 -1.690 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.488 -3.112 10.380 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.269 -3.054 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.328 -4.487 9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -1.036 -2.904 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.777 -4.268 9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.028 -2.689 9.132 1.00 0.00 H new ATOM 941 N PHE A 272 -3.622 -0.304 6.333 1.00 0.00 N ATOM 942 CA PHE A 272 -3.458 1.094 5.952 1.00 0.00 C ATOM 943 C PHE A 272 -2.749 1.888 7.045 1.00 0.00 C ATOM 944 O PHE A 272 -3.301 2.096 8.123 1.00 0.00 O ATOM 945 CB PHE A 272 -4.823 1.724 5.667 1.00 0.00 C ATOM 946 CG PHE A 272 -5.388 1.365 4.323 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.538 0.039 3.951 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.773 2.354 3.434 1.00 0.00 C ATOM 949 CE1 PHE A 272 -6.061 -0.293 2.715 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.296 2.030 2.197 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.441 0.704 1.837 1.00 0.00 C ATOM 0 H PHE A 272 -4.402 -0.479 6.967 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.844 1.124 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.525 1.413 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.734 2.808 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.243 -0.744 4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.663 3.392 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.172 -1.330 2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.591 2.812 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.851 0.447 0.871 1.00 0.00 H new ATOM 961 N ALA A 273 -1.532 2.338 6.756 1.00 0.00 N ATOM 962 CA ALA A 273 -0.762 3.123 7.715 1.00 0.00 C ATOM 963 C ALA A 273 -0.039 4.277 7.025 1.00 0.00 C ATOM 964 O ALA A 273 0.318 4.187 5.851 1.00 0.00 O ATOM 965 CB ALA A 273 0.234 2.247 8.462 1.00 0.00 C ATOM 0 H ALA A 273 -1.059 2.173 5.868 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.463 3.541 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.795 2.857 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.301 1.465 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.923 1.791 7.751 1.00 0.00 H new ATOM 971 N PRO A 274 0.183 5.381 7.756 1.00 0.00 N ATOM 972 CA PRO A 274 0.861 6.565 7.219 1.00 0.00 C ATOM 973 C PRO A 274 2.327 6.301 6.889 1.00 0.00 C ATOM 974 O PRO A 274 2.913 5.324 7.354 1.00 0.00 O ATOM 975 CB PRO A 274 0.739 7.595 8.346 1.00 0.00 C ATOM 976 CG PRO A 274 0.523 6.792 9.582 1.00 0.00 C ATOM 977 CD PRO A 274 -0.218 5.559 9.158 1.00 0.00 C ATOM 0 HA PRO A 274 0.417 6.892 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 274 1.640 8.204 8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 274 -0.092 8.277 8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 274 1.473 6.533 10.049 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.050 7.357 10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.056 4.697 9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.296 5.686 9.254 1.00 0.00 H new ATOM 985 N VAL A 275 2.905 7.178 6.075 1.00 0.00 N ATOM 986 CA VAL A 275 4.297 7.045 5.666 1.00 0.00 C ATOM 987 C VAL A 275 5.249 7.137 6.856 1.00 0.00 C ATOM 988 O VAL A 275 6.310 6.513 6.859 1.00 0.00 O ATOM 989 CB VAL A 275 4.678 8.122 4.631 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.502 9.514 5.216 1.00 0.00 C ATOM 991 CG2 VAL A 275 6.104 7.918 4.138 1.00 0.00 C ATOM 0 H VAL A 275 2.428 7.991 5.685 1.00 0.00 H new ATOM 0 HA VAL A 275 4.395 6.058 5.215 1.00 0.00 H new ATOM 0 HB VAL A 275 4.009 8.025 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.776 10.260 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.461 9.657 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.142 9.624 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 275 6.351 8.690 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.793 7.981 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 275 6.191 6.937 3.672 1.00 0.00 H new ATOM 1001 N HIS A 276 4.871 7.917 7.866 1.00 0.00 N ATOM 1002 CA HIS A 276 5.709 8.078 9.051 1.00 0.00 C ATOM 1003 C HIS A 276 5.672 6.834 9.939 1.00 0.00 C ATOM 1004 O HIS A 276 6.425 6.733 10.908 1.00 0.00 O ATOM 1005 CB HIS A 276 5.288 9.315 9.850 1.00 0.00 C ATOM 1006 CG HIS A 276 3.868 9.289 10.321 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.100 10.427 10.448 1.00 0.00 N ATOM 1008 CD2 HIS A 276 3.077 8.261 10.710 1.00 0.00 C ATOM 1009 CE1 HIS A 276 1.901 10.100 10.896 1.00 0.00 C ATOM 1010 NE2 HIS A 276 1.861 8.792 11.063 1.00 0.00 N ATOM 0 H HIS A 276 3.998 8.443 7.888 1.00 0.00 H new ATOM 0 HA HIS A 276 6.735 8.215 8.709 1.00 0.00 H new ATOM 0 HB2 HIS A 276 5.944 9.415 10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 276 5.438 10.201 9.232 1.00 0.00 H new ATOM 0 HD1 HIS A 276 3.409 11.374 10.230 1.00 0.00 H new ATOM 0 HD2 HIS A 276 3.352 7.217 10.737 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.091 10.787 11.092 1.00 0.00 H new ATOM 1019 N LYS A 277 4.801 5.885 9.602 1.00 0.00 N ATOM 1020 CA LYS A 277 4.685 4.648 10.369 1.00 0.00 C ATOM 1021 C LYS A 277 5.256 3.465 9.595 1.00 0.00 C ATOM 1022 O LYS A 277 5.576 2.430 10.178 1.00 0.00 O ATOM 1023 CB LYS A 277 3.224 4.372 10.732 1.00 0.00 C ATOM 1024 CG LYS A 277 2.743 5.132 11.959 1.00 0.00 C ATOM 1025 CD LYS A 277 2.469 4.193 13.126 1.00 0.00 C ATOM 1026 CE LYS A 277 3.392 4.473 14.301 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.683 3.738 14.185 1.00 0.00 N ATOM 0 H LYS A 277 4.167 5.949 8.805 1.00 0.00 H new ATOM 0 HA LYS A 277 5.262 4.774 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.593 4.634 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.098 3.303 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.494 5.867 12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.835 5.684 11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.432 4.301 13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.597 3.161 12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 277 3.589 5.543 14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 277 2.895 4.188 15.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 5.282 3.957 15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.498 2.715 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 5.171 4.028 13.313 1.00 0.00 H new ATOM 1041 N VAL A 278 5.384 3.621 8.280 1.00 0.00 N ATOM 1042 CA VAL A 278 5.919 2.556 7.443 1.00 0.00 C ATOM 1043 C VAL A 278 7.407 2.747 7.191 1.00 0.00 C ATOM 1044 O VAL A 278 7.879 3.865 6.983 1.00 0.00 O ATOM 1045 CB VAL A 278 5.185 2.466 6.092 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.688 1.274 5.296 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.684 2.367 6.302 1.00 0.00 C ATOM 0 H VAL A 278 5.126 4.469 7.776 1.00 0.00 H new ATOM 0 HA VAL A 278 5.763 1.625 7.989 1.00 0.00 H new ATOM 0 HB VAL A 278 5.392 3.375 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.160 1.223 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.757 1.384 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.508 0.358 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.185 2.304 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.456 1.475 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.332 3.250 6.836 1.00 0.00 H new ATOM 1057 N THR A 279 8.143 1.642 7.215 1.00 0.00 N ATOM 1058 CA THR A 279 9.581 1.676 6.992 1.00 0.00 C ATOM 1059 C THR A 279 10.036 0.451 6.206 1.00 0.00 C ATOM 1060 O THR A 279 9.434 -0.619 6.300 1.00 0.00 O ATOM 1061 CB THR A 279 10.316 1.739 8.331 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.448 2.179 9.361 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.510 2.667 8.314 1.00 0.00 C ATOM 0 H THR A 279 7.765 0.710 7.387 1.00 0.00 H new ATOM 0 HA THR A 279 9.818 2.566 6.410 1.00 0.00 H new ATOM 0 HB THR A 279 10.666 0.723 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.937 2.211 10.210 1.00 0.00 H new ATOM 0 HG21 THR A 279 11.986 2.665 9.294 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.224 2.328 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.182 3.678 8.072 1.00 0.00 H new ATOM 1071 N LYS A 280 11.105 0.613 5.432 1.00 0.00 N ATOM 1072 CA LYS A 280 11.640 -0.482 4.633 1.00 0.00 C ATOM 1073 C LYS A 280 12.312 -1.523 5.524 1.00 0.00 C ATOM 1074 O LYS A 280 13.158 -1.190 6.355 1.00 0.00 O ATOM 1075 CB LYS A 280 12.638 0.051 3.601 1.00 0.00 C ATOM 1076 CG LYS A 280 12.094 0.065 2.183 1.00 0.00 C ATOM 1077 CD LYS A 280 13.193 0.328 1.166 1.00 0.00 C ATOM 1078 CE LYS A 280 13.295 1.805 0.827 1.00 0.00 C ATOM 1079 NZ LYS A 280 13.889 2.027 -0.521 1.00 0.00 N ATOM 0 H LYS A 280 11.616 1.491 5.342 1.00 0.00 H new ATOM 0 HA LYS A 280 10.812 -0.959 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.931 1.063 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.540 -0.561 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.617 -0.891 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.325 0.832 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 280 14.147 -0.023 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 280 12.994 -0.242 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.303 2.255 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.903 2.309 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.941 3.048 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 14.846 1.620 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.296 1.568 -1.242 1.00 0.00 H new ATOM 1093 N ILE A 281 11.927 -2.782 5.348 1.00 0.00 N ATOM 1094 CA ILE A 281 12.491 -3.870 6.137 1.00 0.00 C ATOM 1095 C ILE A 281 13.914 -4.193 5.693 1.00 0.00 C ATOM 1096 O ILE A 281 14.741 -4.631 6.492 1.00 0.00 O ATOM 1097 CB ILE A 281 11.626 -5.145 6.034 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.182 -6.245 6.941 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.553 -5.622 4.592 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.111 -7.022 7.674 1.00 0.00 C ATOM 0 H ILE A 281 11.227 -3.074 4.666 1.00 0.00 H new ATOM 0 HA ILE A 281 12.507 -3.534 7.174 1.00 0.00 H new ATOM 0 HB ILE A 281 10.616 -4.906 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.774 -6.936 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.858 -5.797 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.940 -6.521 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 281 11.110 -4.842 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.557 -5.845 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.577 -7.785 8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.534 -6.343 8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.449 -7.499 6.952 1.00 0.00 H new ATOM 1112 N GLY A 282 14.193 -3.973 4.412 1.00 0.00 N ATOM 1113 CA GLY A 282 15.519 -4.245 3.884 1.00 0.00 C ATOM 1114 C GLY A 282 15.520 -4.424 2.380 1.00 0.00 C ATOM 1115 O GLY A 282 15.076 -5.453 1.870 1.00 0.00 O ATOM 0 H GLY A 282 13.526 -3.612 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 282 16.187 -3.426 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 282 15.916 -5.145 4.354 1.00 0.00 H new ATOM 1119 N PHE A 283 16.019 -3.420 1.667 1.00 0.00 N ATOM 1120 CA PHE A 283 16.078 -3.470 0.212 1.00 0.00 C ATOM 1121 C PHE A 283 17.498 -3.765 -0.265 1.00 0.00 C ATOM 1122 O PHE A 283 18.469 -3.281 0.318 1.00 0.00 O ATOM 1123 CB PHE A 283 15.591 -2.147 -0.385 1.00 0.00 C ATOM 1124 CG PHE A 283 14.756 -2.317 -1.622 1.00 0.00 C ATOM 1125 CD1 PHE A 283 13.434 -2.724 -1.530 1.00 0.00 C ATOM 1126 CD2 PHE A 283 15.292 -2.070 -2.874 1.00 0.00 C ATOM 1127 CE1 PHE A 283 12.663 -2.880 -2.667 1.00 0.00 C ATOM 1128 CE2 PHE A 283 14.526 -2.225 -4.015 1.00 0.00 C ATOM 1129 CZ PHE A 283 13.211 -2.630 -3.911 1.00 0.00 C ATOM 0 H PHE A 283 16.389 -2.561 2.074 1.00 0.00 H new ATOM 0 HA PHE A 283 15.426 -4.275 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 283 15.009 -1.612 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 283 16.454 -1.525 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 283 13.002 -2.921 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 283 16.321 -1.752 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 283 11.634 -3.197 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 283 14.956 -2.029 -4.986 1.00 0.00 H new ATOM 0 HZ PHE A 283 12.611 -2.751 -4.801 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 0.760 9.464 26.289 1.00 0.00 N ATOM 1141 CA GLY B 444 1.147 9.474 24.890 1.00 0.00 C ATOM 1142 C GLY B 444 0.543 8.320 24.114 1.00 0.00 C ATOM 1143 O GLY B 444 -0.155 7.481 24.682 1.00 0.00 O ATOM 0 HA2 GLY B 444 0.836 10.415 24.437 1.00 0.00 H new ATOM 0 HA3 GLY B 444 2.234 9.428 24.816 1.00 0.00 H new ATOM 1146 N GLU B 445 0.811 8.279 22.813 1.00 0.00 N ATOM 1147 CA GLU B 445 0.287 7.220 21.960 1.00 0.00 C ATOM 1148 C GLU B 445 1.164 7.028 20.726 1.00 0.00 C ATOM 1149 O GLU B 445 1.455 7.982 20.005 1.00 0.00 O ATOM 1150 CB GLU B 445 -1.147 7.539 21.535 1.00 0.00 C ATOM 1151 CG GLU B 445 -1.284 8.866 20.806 1.00 0.00 C ATOM 1152 CD GLU B 445 -2.501 9.653 21.251 1.00 0.00 C ATOM 1153 OE1 GLU B 445 -2.891 9.524 22.430 1.00 0.00 O ATOM 1154 OE2 GLU B 445 -3.064 10.397 20.421 1.00 0.00 O ATOM 0 H GLU B 445 1.387 8.966 22.327 1.00 0.00 H new ATOM 0 HA GLU B 445 0.291 6.293 22.534 1.00 0.00 H new ATOM 0 HB2 GLU B 445 -1.512 6.740 20.890 1.00 0.00 H new ATOM 0 HB3 GLU B 445 -1.785 7.552 22.419 1.00 0.00 H new ATOM 0 HG2 GLU B 445 -0.388 9.463 20.975 1.00 0.00 H new ATOM 0 HG3 GLU B 445 -1.347 8.682 19.733 1.00 0.00 H new ATOM 1161 N GLU B 446 1.580 5.788 20.489 1.00 0.00 N ATOM 1162 CA GLU B 446 2.422 5.469 19.341 1.00 0.00 C ATOM 1163 C GLU B 446 1.664 4.607 18.338 1.00 0.00 C ATOM 1164 O GLU B 446 1.758 4.814 17.129 1.00 0.00 O ATOM 1165 CB GLU B 446 3.690 4.744 19.799 1.00 0.00 C ATOM 1166 CG GLU B 446 4.669 4.463 18.671 1.00 0.00 C ATOM 1167 CD GLU B 446 5.783 3.523 19.087 1.00 0.00 C ATOM 1168 OE1 GLU B 446 6.269 3.647 20.232 1.00 0.00 O ATOM 1169 OE2 GLU B 446 6.170 2.661 18.271 1.00 0.00 O ATOM 0 H GLU B 446 1.348 4.987 21.077 1.00 0.00 H new ATOM 0 HA GLU B 446 2.702 6.403 18.854 1.00 0.00 H new ATOM 0 HB2 GLU B 446 4.188 5.345 20.560 1.00 0.00 H new ATOM 0 HB3 GLU B 446 3.410 3.802 20.270 1.00 0.00 H new ATOM 0 HG2 GLU B 446 4.131 4.032 17.827 1.00 0.00 H new ATOM 0 HG3 GLU B 446 5.101 5.403 18.327 1.00 0.00 H new ATOM 1176 N GLU B 447 0.910 3.639 18.851 1.00 0.00 N ATOM 1177 CA GLU B 447 0.132 2.744 18.004 1.00 0.00 C ATOM 1178 C GLU B 447 -1.271 3.297 17.777 1.00 0.00 C ATOM 1179 O GLU B 447 -1.728 4.176 18.509 1.00 0.00 O ATOM 1180 CB GLU B 447 0.049 1.353 18.635 1.00 0.00 C ATOM 1181 CG GLU B 447 1.394 0.812 19.092 1.00 0.00 C ATOM 1182 CD GLU B 447 2.181 0.178 17.962 1.00 0.00 C ATOM 1183 OE1 GLU B 447 1.569 -0.533 17.137 1.00 0.00 O ATOM 1184 OE2 GLU B 447 3.411 0.391 17.901 1.00 0.00 O ATOM 0 H GLU B 447 0.822 3.455 19.850 1.00 0.00 H new ATOM 0 HA GLU B 447 0.635 2.667 17.040 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.628 1.390 19.489 1.00 0.00 H new ATOM 0 HB3 GLU B 447 -0.386 0.661 17.914 1.00 0.00 H new ATOM 0 HG2 GLU B 447 1.979 1.622 19.527 1.00 0.00 H new ATOM 0 HG3 GLU B 447 1.237 0.074 19.879 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.950 2.780 16.759 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.293 3.237 16.456 1.00 0.00 C ATOM 1193 C GLY B 448 -3.340 4.170 15.260 1.00 0.00 C ATOM 1194 O GLY B 448 -4.322 4.882 15.060 1.00 0.00 O ATOM 0 H GLY B 448 -1.594 2.053 16.138 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.931 2.374 16.264 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.703 3.749 17.327 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.275 4.165 14.461 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.204 5.018 13.279 1.00 0.00 C ATOM 1200 C GLU B 449 -2.404 4.206 12.008 1.00 0.00 C ATOM 1201 O GLU B 449 -2.044 4.653 10.922 1.00 0.00 O ATOM 1202 CB GLU B 449 -0.853 5.733 13.208 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.281 6.107 14.568 1.00 0.00 C ATOM 1204 CD GLU B 449 0.392 7.465 14.562 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -0.242 8.441 14.111 1.00 0.00 O ATOM 1206 OE2 GLU B 449 1.555 7.553 15.012 1.00 0.00 O ATOM 0 H GLU B 449 -1.452 3.581 14.611 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.001 5.757 13.361 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.141 5.092 12.689 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -0.963 6.637 12.610 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.081 6.105 15.308 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.440 5.349 14.876 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.971 3.013 12.138 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.196 2.164 10.979 1.00 0.00 C ATOM 1215 C GLU B 450 -4.562 1.485 11.044 1.00 0.00 C ATOM 1216 O GLU B 450 -5.149 1.349 12.117 1.00 0.00 O ATOM 1217 CB GLU B 450 -2.075 1.124 10.861 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.280 -0.113 11.725 1.00 0.00 C ATOM 1219 CD GLU B 450 -1.019 -0.525 12.461 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -0.052 -0.950 11.793 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.997 -0.422 13.705 1.00 0.00 O ATOM 0 H GLU B 450 -3.280 2.616 13.025 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.185 2.793 10.089 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.988 0.816 9.819 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.129 1.592 11.135 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.072 0.081 12.449 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.616 -0.938 11.098 1.00 0.00 H new ATOM 1228 N TYR B 451 -5.060 1.066 9.885 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.357 0.405 9.803 1.00 0.00 C ATOM 1230 C TYR B 451 -6.305 -0.779 8.845 1.00 0.00 C ATOM 1231 O TYR B 451 -5.196 -1.307 8.616 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.426 1.399 9.349 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.936 2.289 10.459 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.195 3.379 10.897 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.159 2.040 11.068 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.657 4.194 11.913 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.629 2.851 12.084 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.875 3.926 12.504 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.338 4.735 13.515 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.375 -1.170 8.331 1.00 0.00 O ATOM 0 H TYR B 451 -4.584 1.173 8.989 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.613 0.032 10.795 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -7.016 2.022 8.554 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.264 0.848 8.922 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.242 3.593 10.436 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.753 1.199 10.742 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.068 5.037 12.243 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.583 2.643 12.547 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.210 4.409 13.821 1.00 0.00 H new TER 1250 TYR B 451