USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 866 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 11 THR OG1 : rot 180:sc= 0.00713 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.1) USER MOD Single : A 19 TYR OH : rot 174:sc= 0.0808 USER MOD Single : A 27 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0.038) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -4.64! (180deg=-11.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.742 K(o=-0.74,f=-11!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 172:sc= 0 (180deg=-0.117) USER MOD Single : A 52 SER OG : rot 160:sc= -1.02 USER MOD Single : A 59 ASN : amide:sc= -0.815 K(o=-0.81,f=-2.5!) USER MOD Single : A 70 MET CE :methyl 178:sc= -2.21! (180deg=-2.4!) USER MOD Single : A 80 ASN : amide:sc= -2.35! C(o=-2.3!,f=-1.5!) USER MOD Single : A 81 ASN : amide:sc= -0.795 X(o=-0.8,f=-0.63) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 89 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-1.4) USER MOD Single : A 90 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.2!) USER MOD Single : A 91 ASN : amide:sc= -0.0889 X(o=-0.089,f=-0.47) USER MOD Single : A 93 SER OG : rot -68:sc= 1.06 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -10:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.974! C(o=-0.97!,f=-14!) USER MOD Single : A 115 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.9) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 117 MET CE :methyl -166:sc= -1.51 (180deg=-1.66) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.437 -11.207 11.659 1.00 0.00 N ATOM 89 CA PHE A 10 1.139 -9.935 11.012 1.00 0.00 C ATOM 90 C PHE A 10 1.282 -8.778 11.996 1.00 0.00 C ATOM 91 O PHE A 10 0.793 -7.675 11.752 1.00 0.00 O ATOM 92 CB PHE A 10 -0.276 -9.953 10.431 1.00 0.00 C ATOM 93 CG PHE A 10 -0.456 -10.949 9.321 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.788 -12.265 9.600 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.292 -10.569 7.998 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.955 -13.183 8.581 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.458 -11.484 6.975 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.789 -12.793 7.267 1.00 0.00 C ATOM 0 HA PHE A 10 1.855 -9.791 10.203 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.985 -10.178 11.228 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.520 -8.958 10.059 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.918 -12.577 10.626 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.032 -9.547 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.215 -14.205 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.329 -11.176 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.918 -13.510 6.469 1.00 0.00 H new ATOM 108 N THR A 11 1.957 -9.038 13.112 1.00 0.00 N ATOM 109 CA THR A 11 2.164 -8.020 14.135 1.00 0.00 C ATOM 110 C THR A 11 3.181 -6.981 13.678 1.00 0.00 C ATOM 111 O THR A 11 4.224 -7.322 13.121 1.00 0.00 O ATOM 112 CB THR A 11 2.644 -8.644 15.459 1.00 0.00 C ATOM 113 OG1 THR A 11 3.729 -9.546 15.211 1.00 0.00 O ATOM 114 CG2 THR A 11 1.510 -9.386 16.150 1.00 0.00 C ATOM 0 H THR A 11 2.370 -9.945 13.330 1.00 0.00 H new ATOM 0 HA THR A 11 1.202 -7.535 14.298 1.00 0.00 H new ATOM 0 HB THR A 11 2.982 -7.840 16.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.029 -9.937 16.058 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.873 -9.818 17.083 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.698 -8.691 16.364 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.146 -10.181 15.499 1.00 0.00 H new ATOM 122 N ASP A 12 2.871 -5.711 13.918 1.00 0.00 N ATOM 123 CA ASP A 12 3.759 -4.621 13.532 1.00 0.00 C ATOM 124 C ASP A 12 5.220 -5.040 13.661 1.00 0.00 C ATOM 125 O ASP A 12 6.011 -4.859 12.736 1.00 0.00 O ATOM 126 CB ASP A 12 3.491 -3.387 14.395 1.00 0.00 C ATOM 127 CG ASP A 12 2.011 -3.146 14.616 1.00 0.00 C ATOM 128 OD1 ASP A 12 1.352 -4.016 15.222 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.511 -2.086 14.183 1.00 0.00 O ATOM 0 H ASP A 12 2.011 -5.412 14.378 1.00 0.00 H new ATOM 0 HA ASP A 12 3.561 -4.375 12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.985 -3.507 15.359 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.932 -2.511 13.919 1.00 0.00 H new ATOM 134 N GLN A 13 5.571 -5.598 14.815 1.00 0.00 N ATOM 135 CA GLN A 13 6.938 -6.041 15.065 1.00 0.00 C ATOM 136 C GLN A 13 7.428 -6.953 13.945 1.00 0.00 C ATOM 137 O GLN A 13 8.506 -6.745 13.387 1.00 0.00 O ATOM 138 CB GLN A 13 7.023 -6.770 16.407 1.00 0.00 C ATOM 139 CG GLN A 13 8.419 -7.275 16.737 1.00 0.00 C ATOM 140 CD GLN A 13 8.605 -7.551 18.216 1.00 0.00 C ATOM 141 OE1 GLN A 13 7.718 -8.095 18.874 1.00 0.00 O ATOM 142 NE2 GLN A 13 9.763 -7.175 18.747 1.00 0.00 N ATOM 0 H GLN A 13 4.928 -5.754 15.591 1.00 0.00 H new ATOM 0 HA GLN A 13 7.579 -5.160 15.097 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.692 -6.097 17.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.333 -7.614 16.397 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.614 -8.188 16.174 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.154 -6.538 16.414 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.470 -6.727 18.164 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.945 -7.334 19.738 1.00 0.00 H new ATOM 151 N LYS A 14 6.630 -7.964 13.620 1.00 0.00 N ATOM 152 CA LYS A 14 6.981 -8.908 12.566 1.00 0.00 C ATOM 153 C LYS A 14 6.904 -8.246 11.194 1.00 0.00 C ATOM 154 O LYS A 14 7.643 -8.608 10.278 1.00 0.00 O ATOM 155 CB LYS A 14 6.051 -10.123 12.611 1.00 0.00 C ATOM 156 CG LYS A 14 6.324 -11.055 13.779 1.00 0.00 C ATOM 157 CD LYS A 14 7.461 -12.016 13.472 1.00 0.00 C ATOM 158 CE LYS A 14 8.112 -12.534 14.745 1.00 0.00 C ATOM 159 NZ LYS A 14 9.073 -11.550 15.317 1.00 0.00 N ATOM 0 H LYS A 14 5.735 -8.151 14.072 1.00 0.00 H new ATOM 0 HA LYS A 14 8.007 -9.236 12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.019 -9.778 12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.151 -10.681 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.571 -10.468 14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.422 -11.620 14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.082 -12.855 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.208 -11.513 12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.341 -12.759 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.632 -13.468 14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.495 -11.941 16.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.823 -11.354 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.572 -10.667 15.544 1.00 0.00 H new ATOM 173 N ILE A 15 6.007 -7.275 11.061 1.00 0.00 N ATOM 174 CA ILE A 15 5.837 -6.561 9.802 1.00 0.00 C ATOM 175 C ILE A 15 7.085 -5.759 9.451 1.00 0.00 C ATOM 176 O ILE A 15 7.571 -5.809 8.320 1.00 0.00 O ATOM 177 CB ILE A 15 4.627 -5.610 9.853 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.349 -6.391 10.164 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.488 -4.858 8.538 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.128 -5.513 10.330 1.00 0.00 C ATOM 0 H ILE A 15 5.387 -6.965 11.809 1.00 0.00 H new ATOM 0 HA ILE A 15 5.665 -7.315 9.033 1.00 0.00 H new ATOM 0 HB ILE A 15 4.789 -4.883 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.166 -7.106 9.362 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.499 -6.968 11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.628 -4.190 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.390 -4.275 8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.346 -5.570 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.260 -6.135 10.549 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.291 -4.815 11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.953 -4.956 9.410 1.00 0.00 H new ATOM 192 N ARG A 16 7.602 -5.021 10.428 1.00 0.00 N ATOM 193 CA ARG A 16 8.795 -4.208 10.223 1.00 0.00 C ATOM 194 C ARG A 16 10.024 -5.089 10.017 1.00 0.00 C ATOM 195 O ARG A 16 10.908 -4.761 9.226 1.00 0.00 O ATOM 196 CB ARG A 16 9.016 -3.278 11.417 1.00 0.00 C ATOM 197 CG ARG A 16 9.271 -4.013 12.722 1.00 0.00 C ATOM 198 CD ARG A 16 9.666 -3.053 13.834 1.00 0.00 C ATOM 199 NE ARG A 16 11.105 -2.807 13.858 1.00 0.00 N ATOM 200 CZ ARG A 16 11.985 -3.642 14.400 1.00 0.00 C ATOM 201 NH1 ARG A 16 11.574 -4.772 14.958 1.00 0.00 N ATOM 202 NH2 ARG A 16 13.278 -3.348 14.383 1.00 0.00 N ATOM 0 H ARG A 16 7.213 -4.969 11.370 1.00 0.00 H new ATOM 0 HA ARG A 16 8.645 -3.607 9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.863 -2.625 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.142 -2.638 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.375 -4.560 13.014 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.062 -4.749 12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.139 -2.108 13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.352 -3.462 14.794 1.00 0.00 H new ATOM 0 HE ARG A 16 11.454 -1.947 13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.580 -5.002 14.972 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.251 -5.411 15.373 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.598 -2.480 13.954 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.952 -3.990 14.799 1.00 0.00 H new ATOM 216 N GLN A 17 10.071 -6.207 10.734 1.00 0.00 N ATOM 217 CA GLN A 17 11.192 -7.134 10.630 1.00 0.00 C ATOM 218 C GLN A 17 11.097 -7.962 9.353 1.00 0.00 C ATOM 219 O GLN A 17 12.111 -8.395 8.805 1.00 0.00 O ATOM 220 CB GLN A 17 11.233 -8.057 11.849 1.00 0.00 C ATOM 221 CG GLN A 17 11.978 -7.467 13.035 1.00 0.00 C ATOM 222 CD GLN A 17 12.618 -8.527 13.909 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.278 -9.707 13.822 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.550 -8.112 14.758 1.00 0.00 N ATOM 0 H GLN A 17 9.347 -6.493 11.393 1.00 0.00 H new ATOM 0 HA GLN A 17 12.112 -6.550 10.595 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.212 -8.291 12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.705 -8.998 11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.749 -6.786 12.673 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.287 -6.875 13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.801 -7.124 14.797 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.015 -8.781 15.372 1.00 0.00 H new ATOM 233 N ARG A 18 9.873 -8.180 8.885 1.00 0.00 N ATOM 234 CA ARG A 18 9.645 -8.958 7.673 1.00 0.00 C ATOM 235 C ARG A 18 10.147 -8.208 6.443 1.00 0.00 C ATOM 236 O ARG A 18 10.806 -8.784 5.577 1.00 0.00 O ATOM 237 CB ARG A 18 8.157 -9.277 7.517 1.00 0.00 C ATOM 238 CG ARG A 18 7.798 -9.861 6.161 1.00 0.00 C ATOM 239 CD ARG A 18 6.551 -10.729 6.240 1.00 0.00 C ATOM 240 NE ARG A 18 6.833 -12.039 6.820 1.00 0.00 N ATOM 241 CZ ARG A 18 5.896 -12.843 7.310 1.00 0.00 C ATOM 242 NH1 ARG A 18 4.623 -12.472 7.290 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.231 -14.021 7.821 1.00 0.00 N ATOM 0 H ARG A 18 9.023 -7.829 9.327 1.00 0.00 H new ATOM 0 HA ARG A 18 10.202 -9.891 7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.861 -9.980 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.580 -8.366 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.636 -9.053 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.632 -10.454 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.794 -10.223 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.134 -10.857 5.241 1.00 0.00 H new ATOM 0 HE ARG A 18 7.803 -12.354 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.362 -11.567 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.905 -13.091 7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.209 -14.310 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.510 -14.637 8.197 1.00 0.00 H new ATOM 257 N TYR A 19 9.830 -6.920 6.372 1.00 0.00 N ATOM 258 CA TYR A 19 10.246 -6.091 5.247 1.00 0.00 C ATOM 259 C TYR A 19 11.417 -5.194 5.635 1.00 0.00 C ATOM 260 O TYR A 19 11.717 -4.216 4.951 1.00 0.00 O ATOM 261 CB TYR A 19 9.076 -5.237 4.755 1.00 0.00 C ATOM 262 CG TYR A 19 7.910 -6.049 4.237 1.00 0.00 C ATOM 263 CD1 TYR A 19 7.919 -6.570 2.949 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.800 -6.295 5.035 1.00 0.00 C ATOM 265 CE1 TYR A 19 6.856 -7.311 2.471 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.733 -7.037 4.566 1.00 0.00 C ATOM 267 CZ TYR A 19 5.765 -7.542 3.283 1.00 0.00 C ATOM 268 OH TYR A 19 4.705 -8.281 2.811 1.00 0.00 O ATOM 0 H TYR A 19 9.286 -6.427 7.080 1.00 0.00 H new ATOM 0 HA TYR A 19 10.569 -6.751 4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.732 -4.602 5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.428 -4.575 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.772 -6.392 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.770 -5.899 6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.879 -7.708 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.879 -7.221 5.201 1.00 0.00 H new ATOM 0 HH TYR A 19 4.061 -8.429 3.535 1.00 0.00 H new ATOM 278 N ALA A 20 12.075 -5.535 6.738 1.00 0.00 N ATOM 279 CA ALA A 20 13.216 -4.763 7.216 1.00 0.00 C ATOM 280 C ALA A 20 14.369 -4.812 6.220 1.00 0.00 C ATOM 281 O ALA A 20 15.277 -3.982 6.266 1.00 0.00 O ATOM 282 CB ALA A 20 13.667 -5.276 8.576 1.00 0.00 C ATOM 0 H ALA A 20 11.838 -6.340 7.317 1.00 0.00 H new ATOM 0 HA ALA A 20 12.903 -3.724 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.519 -4.691 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.849 -5.181 9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.956 -6.324 8.492 1.00 0.00 H new ATOM 288 N ASP A 21 14.328 -5.790 5.322 1.00 0.00 N ATOM 289 CA ASP A 21 15.370 -5.947 4.314 1.00 0.00 C ATOM 290 C ASP A 21 15.255 -4.869 3.241 1.00 0.00 C ATOM 291 O ASP A 21 16.247 -4.492 2.616 1.00 0.00 O ATOM 292 CB ASP A 21 15.285 -7.334 3.674 1.00 0.00 C ATOM 293 CG ASP A 21 15.691 -8.438 4.629 1.00 0.00 C ATOM 294 OD1 ASP A 21 16.607 -8.209 5.446 1.00 0.00 O ATOM 295 OD2 ASP A 21 15.094 -9.533 4.559 1.00 0.00 O ATOM 0 H ASP A 21 13.584 -6.486 5.271 1.00 0.00 H new ATOM 0 HA ASP A 21 16.337 -5.842 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.266 -7.511 3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.927 -7.365 2.794 1.00 0.00 H new ATOM 300 N LEU A 22 14.038 -4.379 3.031 1.00 0.00 N ATOM 301 CA LEU A 22 13.792 -3.344 2.032 1.00 0.00 C ATOM 302 C LEU A 22 14.664 -2.119 2.290 1.00 0.00 C ATOM 303 O LEU A 22 15.041 -1.824 3.424 1.00 0.00 O ATOM 304 CB LEU A 22 12.316 -2.944 2.036 1.00 0.00 C ATOM 305 CG LEU A 22 11.310 -4.088 1.903 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.900 -3.543 1.739 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.676 -4.987 0.731 1.00 0.00 C ATOM 0 H LEU A 22 13.207 -4.681 3.539 1.00 0.00 H new ATOM 0 HA LEU A 22 14.049 -3.750 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.108 -2.410 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.148 -2.242 1.219 1.00 0.00 H new ATOM 0 HG LEU A 22 11.343 -4.683 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.198 -4.372 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.639 -2.942 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.851 -2.924 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.949 -5.795 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.672 -4.404 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.669 -5.407 0.891 1.00 0.00 H new ATOM 319 N PRO A 23 14.990 -1.387 1.215 1.00 0.00 N ATOM 320 CA PRO A 23 15.818 -0.181 1.300 1.00 0.00 C ATOM 321 C PRO A 23 15.094 0.972 1.987 1.00 0.00 C ATOM 322 O PRO A 23 15.630 1.599 2.900 1.00 0.00 O ATOM 323 CB PRO A 23 16.098 0.161 -0.165 1.00 0.00 C ATOM 324 CG PRO A 23 14.960 -0.436 -0.918 1.00 0.00 C ATOM 325 CD PRO A 23 14.575 -1.681 -0.167 1.00 0.00 C ATOM 0 HA PRO A 23 16.718 -0.345 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.151 1.239 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.051 -0.254 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.123 0.259 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.250 -0.672 -1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.504 -1.875 -0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.083 -2.561 -0.561 1.00 0.00 H new ATOM 333 N GLY A 24 13.871 1.246 1.542 1.00 0.00 N ATOM 334 CA GLY A 24 13.093 2.324 2.126 1.00 0.00 C ATOM 335 C GLY A 24 12.720 2.053 3.570 1.00 0.00 C ATOM 336 O GLY A 24 13.169 1.070 4.159 1.00 0.00 O ATOM 0 H GLY A 24 13.405 0.741 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.663 3.251 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.185 2.471 1.541 1.00 0.00 H new ATOM 340 N GLU A 25 11.898 2.927 4.141 1.00 0.00 N ATOM 341 CA GLU A 25 11.468 2.778 5.526 1.00 0.00 C ATOM 342 C GLU A 25 10.001 2.363 5.599 1.00 0.00 C ATOM 343 O GLU A 25 9.117 3.081 5.129 1.00 0.00 O ATOM 344 CB GLU A 25 11.678 4.086 6.292 1.00 0.00 C ATOM 345 CG GLU A 25 11.851 3.893 7.790 1.00 0.00 C ATOM 346 CD GLU A 25 12.080 5.200 8.524 1.00 0.00 C ATOM 347 OE1 GLU A 25 11.089 5.912 8.789 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.250 5.510 8.832 1.00 0.00 O ATOM 0 H GLU A 25 11.517 3.745 3.666 1.00 0.00 H new ATOM 0 HA GLU A 25 12.072 1.995 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.558 4.592 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.826 4.742 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.965 3.404 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.694 3.226 7.972 1.00 0.00 H new ATOM 355 N LEU A 26 9.750 1.200 6.189 1.00 0.00 N ATOM 356 CA LEU A 26 8.391 0.687 6.323 1.00 0.00 C ATOM 357 C LEU A 26 7.528 1.642 7.141 1.00 0.00 C ATOM 358 O LEU A 26 7.901 2.044 8.244 1.00 0.00 O ATOM 359 CB LEU A 26 8.408 -0.693 6.981 1.00 0.00 C ATOM 360 CG LEU A 26 7.112 -1.498 6.886 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.107 -2.356 5.630 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.928 -2.362 8.125 1.00 0.00 C ATOM 0 H LEU A 26 10.470 0.594 6.582 1.00 0.00 H new ATOM 0 HA LEU A 26 7.961 0.601 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.210 -1.278 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.658 -0.568 8.035 1.00 0.00 H new ATOM 0 HG LEU A 26 6.277 -0.800 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.177 -2.922 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.190 -1.716 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.950 -3.046 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.000 -2.928 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.767 -3.052 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.885 -1.726 9.009 1.00 0.00 H new ATOM 374 N HIS A 27 6.370 2.001 6.594 1.00 0.00 N ATOM 375 CA HIS A 27 5.451 2.907 7.275 1.00 0.00 C ATOM 376 C HIS A 27 4.055 2.299 7.363 1.00 0.00 C ATOM 377 O HIS A 27 3.358 2.172 6.356 1.00 0.00 O ATOM 378 CB HIS A 27 5.390 4.249 6.545 1.00 0.00 C ATOM 379 CG HIS A 27 6.400 5.242 7.032 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.159 6.109 8.076 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.660 5.502 6.612 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.227 6.861 8.277 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.153 6.511 7.401 1.00 0.00 N ATOM 0 H HIS A 27 6.046 1.679 5.682 1.00 0.00 H new ATOM 0 HA HIS A 27 5.822 3.069 8.287 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.543 4.081 5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.392 4.671 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.181 5.007 5.806 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.326 7.630 9.029 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.083 6.924 7.324 1.00 0.00 H new ATOM 392 N ILE A 28 3.654 1.924 8.573 1.00 0.00 N ATOM 393 CA ILE A 28 2.341 1.329 8.792 1.00 0.00 C ATOM 394 C ILE A 28 1.350 2.363 9.315 1.00 0.00 C ATOM 395 O ILE A 28 1.335 2.677 10.506 1.00 0.00 O ATOM 396 CB ILE A 28 2.413 0.155 9.787 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.404 -0.900 9.293 1.00 0.00 C ATOM 398 CG2 ILE A 28 1.035 -0.456 9.985 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.635 -2.022 10.280 1.00 0.00 C ATOM 0 H ILE A 28 4.219 2.022 9.417 1.00 0.00 H new ATOM 0 HA ILE A 28 1.999 0.956 7.827 1.00 0.00 H new ATOM 0 HB ILE A 28 2.763 0.533 10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.037 -1.321 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.357 -0.418 9.074 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.102 -1.284 10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.355 0.300 10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.659 -0.823 9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.348 -2.733 9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.031 -1.613 11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.692 -2.530 10.480 1.00 0.00 H new ATOM 411 N ILE A 29 0.522 2.888 8.418 1.00 0.00 N ATOM 412 CA ILE A 29 -0.475 3.884 8.789 1.00 0.00 C ATOM 413 C ILE A 29 -1.888 3.356 8.568 1.00 0.00 C ATOM 414 O ILE A 29 -2.166 2.699 7.566 1.00 0.00 O ATOM 415 CB ILE A 29 -0.294 5.187 7.988 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.640 4.957 6.515 1.00 0.00 C ATOM 417 CG2 ILE A 29 1.130 5.702 8.128 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.508 6.200 5.663 1.00 0.00 C ATOM 0 H ILE A 29 0.522 2.640 7.429 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.331 4.096 9.848 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.973 5.940 8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.011 4.180 6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.662 4.584 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.242 6.623 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.344 5.899 9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.826 4.954 7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.769 5.963 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.180 6.972 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.519 6.562 5.704 1.00 0.00 H new ATOM 430 N GLU A 30 -2.778 3.650 9.511 1.00 0.00 N ATOM 431 CA GLU A 30 -4.164 3.206 9.418 1.00 0.00 C ATOM 432 C GLU A 30 -5.066 4.336 8.930 1.00 0.00 C ATOM 433 O GLU A 30 -5.191 5.372 9.583 1.00 0.00 O ATOM 434 CB GLU A 30 -4.652 2.700 10.777 1.00 0.00 C ATOM 435 CG GLU A 30 -4.401 1.218 11.000 1.00 0.00 C ATOM 436 CD GLU A 30 -4.190 0.876 12.463 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.173 0.931 13.232 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.044 0.553 12.838 1.00 0.00 O ATOM 0 H GLU A 30 -2.564 4.193 10.347 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.210 2.391 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.157 3.267 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.720 2.897 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.247 0.648 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.525 0.912 10.429 1.00 0.00 H new ATOM 445 N LEU A 31 -5.692 4.128 7.777 1.00 0.00 N ATOM 446 CA LEU A 31 -6.583 5.128 7.199 1.00 0.00 C ATOM 447 C LEU A 31 -8.020 4.618 7.157 1.00 0.00 C ATOM 448 O LEU A 31 -8.293 3.548 6.615 1.00 0.00 O ATOM 449 CB LEU A 31 -6.120 5.499 5.789 1.00 0.00 C ATOM 450 CG LEU A 31 -4.635 5.829 5.636 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.296 6.099 4.178 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.261 7.023 6.502 1.00 0.00 C ATOM 0 H LEU A 31 -5.599 3.276 7.224 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.550 6.016 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.359 4.672 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.699 6.359 5.452 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.055 4.968 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.235 6.332 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.525 5.216 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.885 6.943 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.200 7.243 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.849 7.890 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.466 6.793 7.547 1.00 0.00 H new ATOM 464 N GLU A 32 -8.935 5.394 7.731 1.00 0.00 N ATOM 465 CA GLU A 32 -10.344 5.020 7.757 1.00 0.00 C ATOM 466 C GLU A 32 -11.027 5.378 6.440 1.00 0.00 C ATOM 467 O GLU A 32 -11.223 6.553 6.128 1.00 0.00 O ATOM 468 CB GLU A 32 -11.057 5.715 8.919 1.00 0.00 C ATOM 469 CG GLU A 32 -12.220 4.917 9.485 1.00 0.00 C ATOM 470 CD GLU A 32 -13.195 5.779 10.263 1.00 0.00 C ATOM 471 OE1 GLU A 32 -12.877 6.144 11.414 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.277 6.087 9.721 1.00 0.00 O ATOM 0 H GLU A 32 -8.726 6.284 8.183 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.404 3.941 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.337 5.905 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.423 6.685 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.748 4.423 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.835 4.132 10.136 1.00 0.00 H new ATOM 479 N LYS A 33 -11.386 4.356 5.670 1.00 0.00 N ATOM 480 CA LYS A 33 -12.047 4.560 4.387 1.00 0.00 C ATOM 481 C LYS A 33 -13.164 5.592 4.508 1.00 0.00 C ATOM 482 O LYS A 33 -14.018 5.495 5.389 1.00 0.00 O ATOM 483 CB LYS A 33 -12.614 3.238 3.866 1.00 0.00 C ATOM 484 CG LYS A 33 -11.548 2.254 3.417 1.00 0.00 C ATOM 485 CD LYS A 33 -12.071 1.321 2.337 1.00 0.00 C ATOM 486 CE LYS A 33 -12.678 0.061 2.935 1.00 0.00 C ATOM 487 NZ LYS A 33 -11.641 -0.962 3.246 1.00 0.00 N ATOM 0 H LYS A 33 -11.230 3.378 5.913 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.306 4.934 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.216 2.777 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.282 3.443 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.683 2.800 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.208 1.669 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.821 1.839 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.258 1.050 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.221 0.316 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.404 -0.358 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.797 -1.804 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.698 -0.571 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.704 -1.226 4.250 1.00 0.00 H new ATOM 501 N ASP A 34 -13.151 6.578 3.618 1.00 0.00 N ATOM 502 CA ASP A 34 -14.164 7.627 3.623 1.00 0.00 C ATOM 503 C ASP A 34 -15.355 7.236 2.754 1.00 0.00 C ATOM 504 O ASP A 34 -15.345 6.193 2.100 1.00 0.00 O ATOM 505 CB ASP A 34 -13.567 8.945 3.129 1.00 0.00 C ATOM 506 CG ASP A 34 -14.459 10.134 3.430 1.00 0.00 C ATOM 507 OD1 ASP A 34 -15.050 10.169 4.530 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.567 11.028 2.566 1.00 0.00 O ATOM 0 H ASP A 34 -12.450 6.673 2.883 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.512 7.757 4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.594 9.097 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.399 8.884 2.054 1.00 0.00 H new ATOM 513 N LYS A 35 -16.382 8.079 2.752 1.00 0.00 N ATOM 514 CA LYS A 35 -17.582 7.824 1.964 1.00 0.00 C ATOM 515 C LYS A 35 -17.234 7.115 0.659 1.00 0.00 C ATOM 516 O LYS A 35 -17.946 6.211 0.224 1.00 0.00 O ATOM 517 CB LYS A 35 -18.310 9.136 1.666 1.00 0.00 C ATOM 518 CG LYS A 35 -19.814 8.978 1.521 1.00 0.00 C ATOM 519 CD LYS A 35 -20.492 8.837 2.873 1.00 0.00 C ATOM 520 CE LYS A 35 -20.825 10.194 3.474 1.00 0.00 C ATOM 521 NZ LYS A 35 -22.059 10.777 2.878 1.00 0.00 N ATOM 0 H LYS A 35 -16.407 8.946 3.288 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.238 7.176 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.103 9.846 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.908 9.564 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.223 9.842 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.032 8.102 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.405 8.252 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.841 8.287 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.955 10.092 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.989 10.876 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.252 11.701 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.926 10.898 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.862 10.139 3.050 1.00 0.00 H new ATOM 535 N ASN A 36 -16.134 7.531 0.040 1.00 0.00 N ATOM 536 CA ASN A 36 -15.692 6.935 -1.216 1.00 0.00 C ATOM 537 C ASN A 36 -14.700 5.804 -0.961 1.00 0.00 C ATOM 538 O ASN A 36 -14.752 4.761 -1.611 1.00 0.00 O ATOM 539 CB ASN A 36 -15.052 7.998 -2.112 1.00 0.00 C ATOM 540 CG ASN A 36 -16.083 8.891 -2.774 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.072 10.109 -2.594 1.00 0.00 O ATOM 542 ND2 ASN A 36 -16.979 8.289 -3.546 1.00 0.00 N ATOM 0 H ASN A 36 -15.532 8.278 0.387 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.565 6.522 -1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.373 8.610 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.452 7.509 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.696 8.839 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.950 7.277 -3.667 1.00 0.00 H new ATOM 549 N GLY A 37 -13.796 6.020 -0.010 1.00 0.00 N ATOM 550 CA GLY A 37 -12.805 5.011 0.314 1.00 0.00 C ATOM 551 C GLY A 37 -11.387 5.534 0.205 1.00 0.00 C ATOM 552 O GLY A 37 -11.170 6.692 -0.155 1.00 0.00 O ATOM 0 H GLY A 37 -13.733 6.876 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.978 4.649 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.927 4.159 -0.355 1.00 0.00 H new ATOM 556 N LEU A 38 -10.417 4.682 0.517 1.00 0.00 N ATOM 557 CA LEU A 38 -9.011 5.065 0.454 1.00 0.00 C ATOM 558 C LEU A 38 -8.720 5.862 -0.814 1.00 0.00 C ATOM 559 O LEU A 38 -8.113 6.930 -0.762 1.00 0.00 O ATOM 560 CB LEU A 38 -8.120 3.822 0.504 1.00 0.00 C ATOM 561 CG LEU A 38 -8.174 3.010 1.799 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.063 1.973 1.825 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.078 3.928 3.009 1.00 0.00 C ATOM 0 H LEU A 38 -10.579 3.720 0.816 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.793 5.696 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.396 3.168 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.089 4.132 0.335 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.131 2.489 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.117 1.405 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.177 1.296 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.097 2.473 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.118 3.333 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.137 4.477 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.910 4.632 2.998 1.00 0.00 H new ATOM 575 N GLY A 39 -9.161 5.334 -1.952 1.00 0.00 N ATOM 576 CA GLY A 39 -8.940 6.010 -3.217 1.00 0.00 C ATOM 577 C GLY A 39 -7.472 6.280 -3.482 1.00 0.00 C ATOM 578 O GLY A 39 -6.962 7.353 -3.157 1.00 0.00 O ATOM 0 H GLY A 39 -9.667 4.451 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.346 5.403 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.486 6.953 -3.222 1.00 0.00 H new ATOM 582 N LEU A 40 -6.790 5.305 -4.073 1.00 0.00 N ATOM 583 CA LEU A 40 -5.371 5.441 -4.380 1.00 0.00 C ATOM 584 C LEU A 40 -5.065 4.928 -5.783 1.00 0.00 C ATOM 585 O LEU A 40 -5.598 3.903 -6.210 1.00 0.00 O ATOM 586 CB LEU A 40 -4.531 4.681 -3.352 1.00 0.00 C ATOM 587 CG LEU A 40 -4.678 5.132 -1.899 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.449 3.965 -0.951 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.712 6.267 -1.592 1.00 0.00 C ATOM 0 H LEU A 40 -7.197 4.411 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.116 6.500 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.790 3.624 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.482 4.768 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.695 5.497 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.558 4.306 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.181 3.183 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.444 3.569 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.831 6.575 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.689 5.928 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.923 7.112 -2.247 1.00 0.00 H new ATOM 601 N SER A 41 -4.203 5.645 -6.496 1.00 0.00 N ATOM 602 CA SER A 41 -3.828 5.263 -7.852 1.00 0.00 C ATOM 603 C SER A 41 -2.704 4.231 -7.834 1.00 0.00 C ATOM 604 O SER A 41 -1.594 4.513 -7.380 1.00 0.00 O ATOM 605 CB SER A 41 -3.393 6.494 -8.650 1.00 0.00 C ATOM 606 OG SER A 41 -4.497 7.336 -8.931 1.00 0.00 O ATOM 0 H SER A 41 -3.751 6.494 -6.157 1.00 0.00 H new ATOM 0 HA SER A 41 -4.699 4.818 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.642 7.049 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.925 6.180 -9.583 1.00 0.00 H new ATOM 0 HG SER A 41 -4.192 8.116 -9.440 1.00 0.00 H new ATOM 612 N LEU A 42 -2.999 3.035 -8.332 1.00 0.00 N ATOM 613 CA LEU A 42 -2.015 1.960 -8.374 1.00 0.00 C ATOM 614 C LEU A 42 -1.526 1.724 -9.800 1.00 0.00 C ATOM 615 O LEU A 42 -2.238 2.003 -10.764 1.00 0.00 O ATOM 616 CB LEU A 42 -2.614 0.671 -7.808 1.00 0.00 C ATOM 617 CG LEU A 42 -3.299 0.791 -6.446 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.941 -0.531 -6.054 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.303 1.237 -5.386 1.00 0.00 C ATOM 0 H LEU A 42 -3.912 2.786 -8.712 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.163 2.257 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.339 0.286 -8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.820 -0.071 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.083 1.545 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.424 -0.427 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.685 -0.810 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.175 -1.305 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.808 1.317 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.497 0.507 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.889 2.207 -5.661 1.00 0.00 H new ATOM 631 N ALA A 43 -0.308 1.207 -9.925 1.00 0.00 N ATOM 632 CA ALA A 43 0.273 0.930 -11.232 1.00 0.00 C ATOM 633 C ALA A 43 1.362 -0.134 -11.134 1.00 0.00 C ATOM 634 O ALA A 43 2.420 0.099 -10.551 1.00 0.00 O ATOM 635 CB ALA A 43 0.832 2.206 -11.843 1.00 0.00 C ATOM 0 H ALA A 43 0.295 0.972 -9.137 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.516 0.547 -11.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.263 1.984 -12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.031 2.936 -11.958 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.604 2.614 -11.190 1.00 0.00 H new ATOM 641 N GLY A 44 1.095 -1.303 -11.709 1.00 0.00 N ATOM 642 CA GLY A 44 2.062 -2.384 -11.674 1.00 0.00 C ATOM 643 C GLY A 44 3.471 -1.912 -11.971 1.00 0.00 C ATOM 644 O GLY A 44 3.694 -1.159 -12.918 1.00 0.00 O ATOM 0 H GLY A 44 0.227 -1.520 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.040 -2.855 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.777 -3.146 -12.400 1.00 0.00 H new ATOM 648 N ASN A 45 4.425 -2.354 -11.158 1.00 0.00 N ATOM 649 CA ASN A 45 5.821 -1.970 -11.337 1.00 0.00 C ATOM 650 C ASN A 45 6.157 -1.815 -12.817 1.00 0.00 C ATOM 651 O ASN A 45 5.750 -2.630 -13.646 1.00 0.00 O ATOM 652 CB ASN A 45 6.744 -3.010 -10.699 1.00 0.00 C ATOM 653 CG ASN A 45 8.210 -2.704 -10.935 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.656 -2.591 -12.077 1.00 0.00 O ATOM 655 ND2 ASN A 45 8.968 -2.568 -9.853 1.00 0.00 N ATOM 0 H ASN A 45 4.257 -2.978 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 45 5.973 -1.009 -10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.553 -3.053 -9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.512 -3.995 -11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.962 -2.361 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.556 -2.670 -8.926 1.00 0.00 H new ATOM 662 N LYS A 46 6.902 -0.765 -13.143 1.00 0.00 N ATOM 663 CA LYS A 46 7.296 -0.503 -14.522 1.00 0.00 C ATOM 664 C LYS A 46 7.513 -1.807 -15.283 1.00 0.00 C ATOM 665 O LYS A 46 6.945 -2.012 -16.356 1.00 0.00 O ATOM 666 CB LYS A 46 8.573 0.340 -14.558 1.00 0.00 C ATOM 667 CG LYS A 46 8.383 1.754 -14.038 1.00 0.00 C ATOM 668 CD LYS A 46 9.679 2.324 -13.486 1.00 0.00 C ATOM 669 CE LYS A 46 10.477 3.042 -14.563 1.00 0.00 C ATOM 670 NZ LYS A 46 10.063 4.466 -14.703 1.00 0.00 N ATOM 0 H LYS A 46 7.246 -0.080 -12.470 1.00 0.00 H new ATOM 0 HA LYS A 46 6.490 0.049 -15.005 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.342 -0.156 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.940 0.385 -15.583 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.017 2.392 -14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.622 1.757 -13.258 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.456 3.017 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.280 1.519 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.539 2.995 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.344 2.530 -15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.630 4.921 -15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.056 4.511 -14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.214 4.962 -13.801 1.00 0.00 H new ATOM 684 N ASP A 47 8.336 -2.685 -14.721 1.00 0.00 N ATOM 685 CA ASP A 47 8.626 -3.970 -15.345 1.00 0.00 C ATOM 686 C ASP A 47 7.456 -4.934 -15.173 1.00 0.00 C ATOM 687 O ASP A 47 6.983 -5.159 -14.059 1.00 0.00 O ATOM 688 CB ASP A 47 9.895 -4.578 -14.746 1.00 0.00 C ATOM 689 CG ASP A 47 10.646 -5.445 -15.738 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.558 -5.169 -16.953 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.321 -6.399 -15.299 1.00 0.00 O ATOM 0 H ASP A 47 8.814 -2.530 -13.834 1.00 0.00 H new ATOM 0 HA ASP A 47 8.781 -3.801 -16.411 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.549 -3.778 -14.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.631 -5.175 -13.873 1.00 0.00 H new ATOM 696 N ARG A 48 6.993 -5.498 -16.284 1.00 0.00 N ATOM 697 CA ARG A 48 5.877 -6.436 -16.256 1.00 0.00 C ATOM 698 C ARG A 48 6.202 -7.643 -15.382 1.00 0.00 C ATOM 699 O ARG A 48 5.383 -8.073 -14.570 1.00 0.00 O ATOM 700 CB ARG A 48 5.535 -6.897 -17.674 1.00 0.00 C ATOM 701 CG ARG A 48 4.146 -7.501 -17.800 1.00 0.00 C ATOM 702 CD ARG A 48 3.802 -7.810 -19.249 1.00 0.00 C ATOM 703 NE ARG A 48 3.196 -6.666 -19.924 1.00 0.00 N ATOM 704 CZ ARG A 48 2.996 -6.608 -21.236 1.00 0.00 C ATOM 705 NH1 ARG A 48 3.350 -7.625 -22.009 1.00 0.00 N ATOM 706 NH2 ARG A 48 2.439 -5.532 -21.777 1.00 0.00 N ATOM 0 H ARG A 48 7.373 -5.322 -17.214 1.00 0.00 H new ATOM 0 HA ARG A 48 5.015 -5.923 -15.830 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.615 -6.048 -18.352 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.272 -7.633 -17.995 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.091 -8.415 -17.209 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.409 -6.811 -17.389 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.706 -8.107 -19.781 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.117 -8.657 -19.286 1.00 0.00 H new ATOM 0 HE ARG A 48 2.911 -5.868 -19.357 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.777 -8.455 -21.597 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.195 -7.578 -23.016 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.164 -4.748 -21.185 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.286 -5.489 -22.785 1.00 0.00 H new ATOM 720 N SER A 49 7.403 -8.186 -15.556 1.00 0.00 N ATOM 721 CA SER A 49 7.835 -9.347 -14.786 1.00 0.00 C ATOM 722 C SER A 49 7.929 -9.010 -13.301 1.00 0.00 C ATOM 723 O SER A 49 7.976 -9.901 -12.453 1.00 0.00 O ATOM 724 CB SER A 49 9.189 -9.847 -15.294 1.00 0.00 C ATOM 725 OG SER A 49 9.038 -10.623 -16.469 1.00 0.00 O ATOM 0 H SER A 49 8.094 -7.841 -16.223 1.00 0.00 H new ATOM 0 HA SER A 49 7.093 -10.135 -14.915 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.841 -8.997 -15.497 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.673 -10.443 -14.521 1.00 0.00 H new ATOM 0 HG SER A 49 9.918 -10.929 -16.774 1.00 0.00 H new ATOM 731 N ARG A 50 7.956 -7.717 -12.995 1.00 0.00 N ATOM 732 CA ARG A 50 8.045 -7.261 -11.613 1.00 0.00 C ATOM 733 C ARG A 50 6.660 -7.173 -10.979 1.00 0.00 C ATOM 734 O ARG A 50 5.949 -6.183 -11.153 1.00 0.00 O ATOM 735 CB ARG A 50 8.736 -5.898 -11.547 1.00 0.00 C ATOM 736 CG ARG A 50 10.249 -5.975 -11.670 1.00 0.00 C ATOM 737 CD ARG A 50 10.911 -6.122 -10.309 1.00 0.00 C ATOM 738 NE ARG A 50 12.188 -6.827 -10.395 1.00 0.00 N ATOM 739 CZ ARG A 50 12.832 -7.313 -9.340 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.321 -7.172 -8.125 1.00 0.00 N ATOM 741 NH2 ARG A 50 13.989 -7.942 -9.499 1.00 0.00 N ATOM 0 H ARG A 50 7.918 -6.967 -13.685 1.00 0.00 H new ATOM 0 HA ARG A 50 8.635 -7.987 -11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.347 -5.264 -12.344 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.481 -5.416 -10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.521 -6.821 -12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.621 -5.077 -12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.070 -5.135 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.243 -6.662 -9.637 1.00 0.00 H new ATOM 0 HE ARG A 50 12.608 -6.953 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.431 -6.689 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.817 -7.546 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.385 -8.053 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.483 -8.315 -8.688 1.00 0.00 H new ATOM 755 N MET A 51 6.284 -8.214 -10.244 1.00 0.00 N ATOM 756 CA MET A 51 4.984 -8.253 -9.583 1.00 0.00 C ATOM 757 C MET A 51 4.997 -7.418 -8.307 1.00 0.00 C ATOM 758 O MET A 51 5.482 -7.864 -7.267 1.00 0.00 O ATOM 759 CB MET A 51 4.597 -9.697 -9.258 1.00 0.00 C ATOM 760 CG MET A 51 3.198 -9.835 -8.680 1.00 0.00 C ATOM 761 SD MET A 51 1.960 -8.937 -9.636 1.00 0.00 S ATOM 762 CE MET A 51 2.061 -9.790 -11.208 1.00 0.00 C ATOM 0 H MET A 51 6.860 -9.042 -10.091 1.00 0.00 H new ATOM 0 HA MET A 51 4.245 -7.831 -10.264 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.667 -10.297 -10.166 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.316 -10.107 -8.549 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.927 -10.890 -8.642 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.195 -9.468 -7.654 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.259 -9.446 -11.861 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.024 -9.580 -11.674 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.962 -10.863 -11.047 1.00 0.00 H new ATOM 772 N SER A 52 4.463 -6.204 -8.393 1.00 0.00 N ATOM 773 CA SER A 52 4.417 -5.305 -7.246 1.00 0.00 C ATOM 774 C SER A 52 3.475 -4.135 -7.510 1.00 0.00 C ATOM 775 O SER A 52 3.278 -3.728 -8.655 1.00 0.00 O ATOM 776 CB SER A 52 5.819 -4.783 -6.924 1.00 0.00 C ATOM 777 OG SER A 52 6.604 -4.674 -8.099 1.00 0.00 O ATOM 0 H SER A 52 4.056 -5.820 -9.246 1.00 0.00 H new ATOM 0 HA SER A 52 4.040 -5.866 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.746 -3.809 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.307 -5.454 -6.217 1.00 0.00 H new ATOM 0 HG SER A 52 7.350 -4.059 -7.938 1.00 0.00 H new ATOM 783 N ILE A 53 2.894 -3.598 -6.442 1.00 0.00 N ATOM 784 CA ILE A 53 1.974 -2.474 -6.557 1.00 0.00 C ATOM 785 C ILE A 53 2.589 -1.199 -5.991 1.00 0.00 C ATOM 786 O ILE A 53 3.187 -1.210 -4.915 1.00 0.00 O ATOM 787 CB ILE A 53 0.646 -2.757 -5.829 1.00 0.00 C ATOM 788 CG1 ILE A 53 -0.026 -4.002 -6.412 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.279 -1.554 -5.927 1.00 0.00 C ATOM 790 CD1 ILE A 53 -1.115 -4.570 -5.530 1.00 0.00 C ATOM 0 H ILE A 53 3.045 -3.924 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 53 1.775 -2.337 -7.620 1.00 0.00 H new ATOM 0 HB ILE A 53 0.859 -2.942 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.450 -3.754 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.731 -4.768 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.213 -1.770 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.200 -0.689 -5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.488 -1.340 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.547 -5.450 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.693 -4.850 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.892 -3.820 -5.382 1.00 0.00 H new ATOM 802 N PHE A 54 2.437 -0.100 -6.722 1.00 0.00 N ATOM 803 CA PHE A 54 2.977 1.185 -6.293 1.00 0.00 C ATOM 804 C PHE A 54 1.887 2.253 -6.272 1.00 0.00 C ATOM 805 O PHE A 54 0.806 2.064 -6.830 1.00 0.00 O ATOM 806 CB PHE A 54 4.115 1.619 -7.220 1.00 0.00 C ATOM 807 CG PHE A 54 5.393 0.863 -6.993 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.326 1.314 -6.074 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.661 -0.298 -7.700 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.504 0.621 -5.863 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.836 -0.996 -7.493 1.00 0.00 C ATOM 812 CZ PHE A 54 7.759 -0.535 -6.575 1.00 0.00 C ATOM 0 H PHE A 54 1.944 -0.073 -7.615 1.00 0.00 H new ATOM 0 HA PHE A 54 3.366 1.068 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.801 1.484 -8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.302 2.684 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.131 2.218 -5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.944 -0.662 -8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.223 0.983 -5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.032 -1.901 -8.049 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.679 -1.077 -6.414 1.00 0.00 H new ATOM 822 N VAL A 55 2.180 3.376 -5.624 1.00 0.00 N ATOM 823 CA VAL A 55 1.227 4.475 -5.530 1.00 0.00 C ATOM 824 C VAL A 55 1.619 5.623 -6.455 1.00 0.00 C ATOM 825 O VAL A 55 2.551 6.374 -6.169 1.00 0.00 O ATOM 826 CB VAL A 55 1.123 5.006 -4.088 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.167 6.187 -4.022 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.681 3.898 -3.144 1.00 0.00 C ATOM 0 H VAL A 55 3.070 3.548 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 55 0.258 4.080 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 55 2.108 5.349 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.106 6.549 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.531 6.986 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.822 5.873 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.613 4.290 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.294 3.523 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.407 3.086 -3.171 1.00 0.00 H new ATOM 838 N VAL A 56 0.900 5.753 -7.565 1.00 0.00 N ATOM 839 CA VAL A 56 1.171 6.810 -8.532 1.00 0.00 C ATOM 840 C VAL A 56 0.133 7.922 -8.435 1.00 0.00 C ATOM 841 O VAL A 56 -0.050 8.698 -9.372 1.00 0.00 O ATOM 842 CB VAL A 56 1.187 6.263 -9.972 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.108 5.056 -10.075 1.00 0.00 C ATOM 844 CG2 VAL A 56 -0.222 5.908 -10.423 1.00 0.00 C ATOM 0 H VAL A 56 0.125 5.139 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 56 2.155 7.213 -8.293 1.00 0.00 H new ATOM 0 HB VAL A 56 1.571 7.040 -10.633 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.106 4.683 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.121 5.346 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.757 4.272 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.192 5.523 -11.442 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.635 5.148 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.850 6.798 -10.390 1.00 0.00 H new ATOM 854 N GLY A 57 -0.544 7.995 -7.293 1.00 0.00 N ATOM 855 CA GLY A 57 -1.555 9.016 -7.094 1.00 0.00 C ATOM 856 C GLY A 57 -2.369 8.788 -5.835 1.00 0.00 C ATOM 857 O GLY A 57 -2.534 7.651 -5.392 1.00 0.00 O ATOM 0 H GLY A 57 -0.410 7.365 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.075 9.993 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.222 9.035 -7.956 1.00 0.00 H new ATOM 861 N ILE A 58 -2.879 9.871 -5.258 1.00 0.00 N ATOM 862 CA ILE A 58 -3.680 9.783 -4.043 1.00 0.00 C ATOM 863 C ILE A 58 -4.920 10.666 -4.137 1.00 0.00 C ATOM 864 O ILE A 58 -4.823 11.892 -4.125 1.00 0.00 O ATOM 865 CB ILE A 58 -2.865 10.192 -2.802 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.731 9.194 -2.558 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.770 10.282 -1.582 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.720 9.666 -1.536 1.00 0.00 C ATOM 0 H ILE A 58 -2.752 10.819 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.986 8.742 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.427 11.174 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.156 8.247 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.219 9.000 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.180 10.572 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.546 11.027 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.233 9.312 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.055 8.909 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.267 10.597 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.218 9.832 -0.581 1.00 0.00 H new ATOM 880 N ASN A 59 -6.085 10.033 -4.229 1.00 0.00 N ATOM 881 CA ASN A 59 -7.345 10.761 -4.324 1.00 0.00 C ATOM 882 C ASN A 59 -7.408 11.876 -3.284 1.00 0.00 C ATOM 883 O ASN A 59 -7.295 11.643 -2.080 1.00 0.00 O ATOM 884 CB ASN A 59 -8.525 9.806 -4.136 1.00 0.00 C ATOM 885 CG ASN A 59 -9.790 10.312 -4.802 1.00 0.00 C ATOM 886 OD1 ASN A 59 -10.681 10.846 -4.142 1.00 0.00 O ATOM 887 ND2 ASN A 59 -9.873 10.145 -6.117 1.00 0.00 N ATOM 0 H ASN A 59 -6.183 9.018 -4.240 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.404 11.209 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.267 8.829 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.709 9.666 -3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.700 10.465 -6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.109 9.697 -6.623 1.00 0.00 H new ATOM 894 N PRO A 60 -7.594 13.117 -3.758 1.00 0.00 N ATOM 895 CA PRO A 60 -7.678 14.292 -2.886 1.00 0.00 C ATOM 896 C PRO A 60 -8.959 14.311 -2.059 1.00 0.00 C ATOM 897 O PRO A 60 -9.134 15.163 -1.189 1.00 0.00 O ATOM 898 CB PRO A 60 -7.660 15.465 -3.869 1.00 0.00 C ATOM 899 CG PRO A 60 -8.191 14.901 -5.142 1.00 0.00 C ATOM 900 CD PRO A 60 -7.737 13.468 -5.181 1.00 0.00 C ATOM 0 HA PRO A 60 -6.869 14.316 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.278 16.289 -3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.651 15.856 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.279 14.967 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.812 15.454 -6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.465 12.829 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.795 13.359 -5.718 1.00 0.00 H new ATOM 908 N GLU A 61 -9.851 13.365 -2.337 1.00 0.00 N ATOM 909 CA GLU A 61 -11.117 13.274 -1.618 1.00 0.00 C ATOM 910 C GLU A 61 -11.094 12.119 -0.621 1.00 0.00 C ATOM 911 O GLU A 61 -11.864 12.097 0.338 1.00 0.00 O ATOM 912 CB GLU A 61 -12.275 13.091 -2.600 1.00 0.00 C ATOM 913 CG GLU A 61 -12.296 14.123 -3.716 1.00 0.00 C ATOM 914 CD GLU A 61 -13.029 13.634 -4.949 1.00 0.00 C ATOM 915 OE1 GLU A 61 -12.656 12.566 -5.478 1.00 0.00 O ATOM 916 OE2 GLU A 61 -13.978 14.319 -5.386 1.00 0.00 O ATOM 0 H GLU A 61 -9.721 12.651 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.261 14.204 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.214 12.095 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.216 13.141 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.771 15.035 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.272 14.382 -3.985 1.00 0.00 H new ATOM 923 N GLY A 62 -10.204 11.159 -0.856 1.00 0.00 N ATOM 924 CA GLY A 62 -10.098 10.013 0.028 1.00 0.00 C ATOM 925 C GLY A 62 -9.379 10.344 1.321 1.00 0.00 C ATOM 926 O GLY A 62 -8.885 11.455 1.515 1.00 0.00 O ATOM 0 H GLY A 62 -9.555 11.155 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.097 9.640 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.567 9.210 -0.484 1.00 0.00 H new ATOM 930 N PRO A 63 -9.315 9.364 2.235 1.00 0.00 N ATOM 931 CA PRO A 63 -8.654 9.533 3.532 1.00 0.00 C ATOM 932 C PRO A 63 -7.139 9.644 3.401 1.00 0.00 C ATOM 933 O PRO A 63 -6.496 10.387 4.142 1.00 0.00 O ATOM 934 CB PRO A 63 -9.034 8.259 4.292 1.00 0.00 C ATOM 935 CG PRO A 63 -9.303 7.250 3.229 1.00 0.00 C ATOM 936 CD PRO A 63 -9.881 8.014 2.070 1.00 0.00 C ATOM 0 HA PRO A 63 -8.963 10.452 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.228 7.935 4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.912 8.418 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.387 6.735 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.999 6.489 3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.595 7.572 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.970 8.028 2.101 1.00 0.00 H new ATOM 944 N ALA A 64 -6.575 8.901 2.455 1.00 0.00 N ATOM 945 CA ALA A 64 -5.136 8.918 2.226 1.00 0.00 C ATOM 946 C ALA A 64 -4.627 10.343 2.038 1.00 0.00 C ATOM 947 O ALA A 64 -3.487 10.655 2.380 1.00 0.00 O ATOM 948 CB ALA A 64 -4.784 8.066 1.015 1.00 0.00 C ATOM 0 H ALA A 64 -7.093 8.279 1.834 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.648 8.499 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.706 8.088 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.105 7.039 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.289 8.461 0.133 1.00 0.00 H new ATOM 954 N ALA A 65 -5.480 11.204 1.493 1.00 0.00 N ATOM 955 CA ALA A 65 -5.117 12.597 1.261 1.00 0.00 C ATOM 956 C ALA A 65 -5.383 13.447 2.499 1.00 0.00 C ATOM 957 O ALA A 65 -4.634 14.377 2.797 1.00 0.00 O ATOM 958 CB ALA A 65 -5.879 13.149 0.065 1.00 0.00 C ATOM 0 H ALA A 65 -6.428 10.961 1.204 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.049 12.638 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.598 14.190 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.635 12.565 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.950 13.088 0.256 1.00 0.00 H new ATOM 964 N ALA A 66 -6.453 13.121 3.216 1.00 0.00 N ATOM 965 CA ALA A 66 -6.817 13.854 4.422 1.00 0.00 C ATOM 966 C ALA A 66 -5.778 13.654 5.520 1.00 0.00 C ATOM 967 O ALA A 66 -5.256 14.620 6.078 1.00 0.00 O ATOM 968 CB ALA A 66 -8.192 13.421 4.908 1.00 0.00 C ATOM 0 H ALA A 66 -7.083 12.354 2.982 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.849 14.916 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.451 13.977 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.932 13.622 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.180 12.354 5.130 1.00 0.00 H new ATOM 974 N ASP A 67 -5.483 12.396 5.826 1.00 0.00 N ATOM 975 CA ASP A 67 -4.505 12.069 6.858 1.00 0.00 C ATOM 976 C ASP A 67 -3.164 12.733 6.565 1.00 0.00 C ATOM 977 O ASP A 67 -2.448 13.139 7.480 1.00 0.00 O ATOM 978 CB ASP A 67 -4.327 10.553 6.959 1.00 0.00 C ATOM 979 CG ASP A 67 -3.805 10.122 8.316 1.00 0.00 C ATOM 980 OD1 ASP A 67 -3.729 10.977 9.223 1.00 0.00 O ATOM 981 OD2 ASP A 67 -3.473 8.928 8.471 1.00 0.00 O ATOM 0 H ASP A 67 -5.907 11.585 5.375 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.877 12.448 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.282 10.064 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.637 10.218 6.184 1.00 0.00 H new ATOM 986 N GLY A 68 -2.829 12.840 5.283 1.00 0.00 N ATOM 987 CA GLY A 68 -1.573 13.454 4.893 1.00 0.00 C ATOM 988 C GLY A 68 -0.372 12.615 5.279 1.00 0.00 C ATOM 989 O GLY A 68 0.633 13.140 5.758 1.00 0.00 O ATOM 0 H GLY A 68 -3.405 12.512 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.570 13.613 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.492 14.435 5.360 1.00 0.00 H new ATOM 993 N ARG A 69 -0.476 11.306 5.073 1.00 0.00 N ATOM 994 CA ARG A 69 0.610 10.392 5.406 1.00 0.00 C ATOM 995 C ARG A 69 1.126 9.683 4.157 1.00 0.00 C ATOM 996 O ARG A 69 2.307 9.775 3.823 1.00 0.00 O ATOM 997 CB ARG A 69 0.139 9.360 6.433 1.00 0.00 C ATOM 998 CG ARG A 69 -0.325 9.973 7.743 1.00 0.00 C ATOM 999 CD ARG A 69 0.833 10.166 8.710 1.00 0.00 C ATOM 1000 NE ARG A 69 1.483 11.462 8.535 1.00 0.00 N ATOM 1001 CZ ARG A 69 2.277 12.015 9.445 1.00 0.00 C ATOM 1002 NH1 ARG A 69 2.518 11.388 10.588 1.00 0.00 N ATOM 1003 NH2 ARG A 69 2.832 13.198 9.212 1.00 0.00 N ATOM 0 H ARG A 69 -1.301 10.855 4.677 1.00 0.00 H new ATOM 0 HA ARG A 69 1.425 10.976 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.678 8.779 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.953 8.664 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.801 10.934 7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.078 9.331 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.469 10.079 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.564 9.371 8.563 1.00 0.00 H new ATOM 0 HE ARG A 69 1.318 11.970 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.093 10.479 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.128 11.815 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.649 13.683 8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.442 13.622 9.911 1.00 0.00 H new ATOM 1017 N MET A 70 0.233 8.976 3.472 1.00 0.00 N ATOM 1018 CA MET A 70 0.599 8.252 2.260 1.00 0.00 C ATOM 1019 C MET A 70 1.098 9.211 1.184 1.00 0.00 C ATOM 1020 O MET A 70 0.668 10.363 1.118 1.00 0.00 O ATOM 1021 CB MET A 70 -0.598 7.457 1.735 1.00 0.00 C ATOM 1022 CG MET A 70 -0.678 6.043 2.289 1.00 0.00 C ATOM 1023 SD MET A 70 -1.446 4.888 1.137 1.00 0.00 S ATOM 1024 CE MET A 70 -0.018 4.342 0.204 1.00 0.00 C ATOM 0 H MET A 70 -0.749 8.889 3.735 1.00 0.00 H new ATOM 0 HA MET A 70 1.405 7.561 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.516 7.989 1.986 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.544 7.410 0.647 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.326 5.695 2.531 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.245 6.053 3.220 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.325 3.595 -0.528 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.427 5.193 -0.312 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.715 3.905 0.883 1.00 0.00 H new ATOM 1034 N ARG A 71 2.007 8.729 0.344 1.00 0.00 N ATOM 1035 CA ARG A 71 2.566 9.545 -0.728 1.00 0.00 C ATOM 1036 C ARG A 71 2.702 8.734 -2.014 1.00 0.00 C ATOM 1037 O ARG A 71 2.445 7.530 -2.030 1.00 0.00 O ATOM 1038 CB ARG A 71 3.931 10.100 -0.317 1.00 0.00 C ATOM 1039 CG ARG A 71 3.883 10.973 0.927 1.00 0.00 C ATOM 1040 CD ARG A 71 3.646 12.433 0.575 1.00 0.00 C ATOM 1041 NE ARG A 71 4.711 12.973 -0.266 1.00 0.00 N ATOM 1042 CZ ARG A 71 4.623 14.131 -0.911 1.00 0.00 C ATOM 1043 NH1 ARG A 71 3.525 14.868 -0.810 1.00 0.00 N ATOM 1044 NH2 ARG A 71 5.635 14.555 -1.657 1.00 0.00 N ATOM 0 H ARG A 71 2.373 7.778 0.384 1.00 0.00 H new ATOM 0 HA ARG A 71 1.884 10.375 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.614 9.269 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.341 10.681 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.089 10.624 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.820 10.878 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.691 12.531 0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.575 13.020 1.491 1.00 0.00 H new ATOM 0 HE ARG A 71 5.570 12.431 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.746 14.546 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.460 15.757 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.482 13.992 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.566 15.444 -2.152 1.00 0.00 H new ATOM 1058 N ILE A 72 3.105 9.403 -3.089 1.00 0.00 N ATOM 1059 CA ILE A 72 3.275 8.744 -4.378 1.00 0.00 C ATOM 1060 C ILE A 72 4.614 8.018 -4.452 1.00 0.00 C ATOM 1061 O ILE A 72 5.672 8.630 -4.316 1.00 0.00 O ATOM 1062 CB ILE A 72 3.185 9.751 -5.540 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.011 10.708 -5.325 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.042 9.018 -6.866 1.00 0.00 C ATOM 1065 CD1 ILE A 72 0.759 10.025 -4.820 1.00 0.00 C ATOM 0 H ILE A 72 3.320 10.400 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 72 2.466 8.019 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 72 4.105 10.335 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.307 11.479 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.786 11.212 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.980 9.743 -7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.907 8.374 -7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.136 8.412 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.032 10.764 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.438 9.273 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.967 9.545 -3.864 1.00 0.00 H new ATOM 1077 N GLY A 73 4.558 6.707 -4.670 1.00 0.00 N ATOM 1078 CA GLY A 73 5.773 5.918 -4.761 1.00 0.00 C ATOM 1079 C GLY A 73 5.782 4.755 -3.789 1.00 0.00 C ATOM 1080 O GLY A 73 6.533 3.796 -3.966 1.00 0.00 O ATOM 0 H GLY A 73 3.694 6.178 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.881 5.539 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.634 6.558 -4.566 1.00 0.00 H new ATOM 1084 N ASP A 74 4.948 4.840 -2.759 1.00 0.00 N ATOM 1085 CA ASP A 74 4.863 3.786 -1.755 1.00 0.00 C ATOM 1086 C ASP A 74 4.468 2.458 -2.393 1.00 0.00 C ATOM 1087 O ASP A 74 3.506 2.388 -3.157 1.00 0.00 O ATOM 1088 CB ASP A 74 3.853 4.165 -0.670 1.00 0.00 C ATOM 1089 CG ASP A 74 4.302 5.362 0.145 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.451 5.350 0.634 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.504 6.311 0.294 1.00 0.00 O ATOM 0 H ASP A 74 4.321 5.628 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 74 5.847 3.672 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.891 4.385 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.700 3.314 -0.006 1.00 0.00 H new ATOM 1096 N GLU A 75 5.217 1.407 -2.074 1.00 0.00 N ATOM 1097 CA GLU A 75 4.945 0.082 -2.618 1.00 0.00 C ATOM 1098 C GLU A 75 4.155 -0.763 -1.623 1.00 0.00 C ATOM 1099 O GLU A 75 4.731 -1.432 -0.763 1.00 0.00 O ATOM 1100 CB GLU A 75 6.254 -0.624 -2.978 1.00 0.00 C ATOM 1101 CG GLU A 75 6.059 -2.039 -3.498 1.00 0.00 C ATOM 1102 CD GLU A 75 7.364 -2.696 -3.902 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.203 -2.947 -3.012 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.547 -2.961 -5.109 1.00 0.00 O ATOM 0 H GLU A 75 6.016 1.448 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 75 4.346 0.204 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.778 -0.037 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.895 -0.655 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.576 -2.642 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.386 -2.018 -4.355 1.00 0.00 H new ATOM 1111 N LEU A 76 2.833 -0.728 -1.745 1.00 0.00 N ATOM 1112 CA LEU A 76 1.962 -1.490 -0.856 1.00 0.00 C ATOM 1113 C LEU A 76 2.495 -2.905 -0.654 1.00 0.00 C ATOM 1114 O LEU A 76 2.916 -3.564 -1.606 1.00 0.00 O ATOM 1115 CB LEU A 76 0.543 -1.544 -1.424 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.257 -0.242 -1.355 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.527 -0.352 -2.186 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.590 0.103 0.089 1.00 0.00 C ATOM 0 H LEU A 76 2.340 -0.180 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 76 1.941 -0.988 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.602 -1.856 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.011 -2.316 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 76 0.354 0.561 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.084 0.583 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.266 -0.552 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.143 -1.166 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.159 1.032 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.182 -0.700 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.333 0.224 0.656 1.00 0.00 H new ATOM 1130 N LEU A 77 2.470 -3.368 0.591 1.00 0.00 N ATOM 1131 CA LEU A 77 2.949 -4.707 0.919 1.00 0.00 C ATOM 1132 C LEU A 77 1.831 -5.552 1.522 1.00 0.00 C ATOM 1133 O LEU A 77 1.762 -6.759 1.295 1.00 0.00 O ATOM 1134 CB LEU A 77 4.124 -4.625 1.894 1.00 0.00 C ATOM 1135 CG LEU A 77 5.298 -3.748 1.458 1.00 0.00 C ATOM 1136 CD1 LEU A 77 6.184 -3.411 2.648 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.105 -4.440 0.369 1.00 0.00 C ATOM 0 H LEU A 77 2.123 -2.837 1.390 1.00 0.00 H new ATOM 0 HA LEU A 77 3.283 -5.183 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.753 -4.252 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.496 -5.634 2.069 1.00 0.00 H new ATOM 0 HG LEU A 77 4.900 -2.818 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.014 -2.786 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.600 -2.874 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.573 -4.331 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.936 -3.801 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.492 -5.386 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.465 -4.629 -0.493 1.00 0.00 H new ATOM 1149 N GLU A 78 0.957 -4.908 2.289 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.158 -5.601 2.923 1.00 0.00 C ATOM 1151 C GLU A 78 -1.336 -4.655 3.136 1.00 0.00 C ATOM 1152 O GLU A 78 -1.158 -3.443 3.262 1.00 0.00 O ATOM 1153 CB GLU A 78 0.279 -6.199 4.262 1.00 0.00 C ATOM 1154 CG GLU A 78 1.611 -6.927 4.198 1.00 0.00 C ATOM 1155 CD GLU A 78 1.878 -7.763 5.435 1.00 0.00 C ATOM 1156 OE1 GLU A 78 1.119 -7.631 6.417 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.847 -8.551 5.419 1.00 0.00 O ATOM 0 H GLU A 78 1.000 -3.908 2.486 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.476 -6.406 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.346 -5.401 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.488 -6.892 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.627 -7.571 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.413 -6.199 4.076 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.539 -5.217 3.175 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.747 -4.425 3.373 1.00 0.00 C ATOM 1166 C ILE A 79 -4.841 -5.248 4.045 1.00 0.00 C ATOM 1167 O ILE A 79 -5.155 -6.355 3.609 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.282 -3.872 2.039 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.208 -3.035 1.341 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.536 -3.044 2.275 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.672 -2.420 0.040 1.00 0.00 C ATOM 0 H ILE A 79 -2.704 -6.218 3.072 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.475 -3.591 4.020 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.540 -4.710 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.884 -2.241 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.339 -3.663 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.903 -2.660 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.303 -3.668 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.302 -2.210 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.859 -1.841 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.969 -3.210 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.523 -1.765 0.230 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.418 -4.699 5.108 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.479 -5.382 5.840 1.00 0.00 C ATOM 1185 C ASN A 80 -6.075 -6.815 6.172 1.00 0.00 C ATOM 1186 O ASN A 80 -6.916 -7.711 6.224 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.773 -5.381 5.024 1.00 0.00 C ATOM 1188 CG ASN A 80 -8.927 -6.024 5.768 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.511 -7.003 5.305 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.261 -5.473 6.930 1.00 0.00 N ATOM 0 H ASN A 80 -5.169 -3.783 5.482 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.646 -4.845 6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.037 -4.355 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.608 -5.912 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.030 -5.862 7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.749 -4.661 7.276 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.781 -7.022 6.397 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.265 -8.346 6.724 1.00 0.00 C ATOM 1199 C ASN A 81 -4.226 -9.236 5.486 1.00 0.00 C ATOM 1200 O ASN A 81 -4.626 -10.399 5.533 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.126 -8.999 7.808 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.521 -8.022 8.899 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.665 -7.452 9.576 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -6.822 -7.825 9.075 1.00 0.00 N ATOM 0 H ASN A 81 -4.072 -6.290 6.359 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.248 -8.229 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.025 -9.414 7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.579 -9.832 8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.147 -7.179 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.496 -8.319 8.491 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.741 -8.681 4.380 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.650 -9.425 3.129 1.00 0.00 C ATOM 1213 C GLN A 82 -2.398 -9.032 2.352 1.00 0.00 C ATOM 1214 O GLN A 82 -2.336 -7.954 1.760 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.894 -9.179 2.273 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.112 -9.964 2.731 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.214 -11.323 2.068 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -5.910 -12.349 2.678 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.643 -11.339 0.811 1.00 0.00 N ATOM 0 H GLN A 82 -3.405 -7.719 4.325 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.588 -10.486 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.131 -8.115 2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.671 -9.441 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.070 -10.094 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.012 -9.390 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.884 -10.465 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.731 -12.225 0.313 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.403 -9.912 2.359 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.153 -9.657 1.654 1.00 0.00 C ATOM 1230 C ILE A 83 -0.378 -9.570 0.149 1.00 0.00 C ATOM 1231 O ILE A 83 -0.908 -10.497 -0.465 1.00 0.00 O ATOM 1232 CB ILE A 83 0.891 -10.752 1.943 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.216 -10.795 3.438 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.152 -10.511 1.128 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.322 -11.766 3.788 1.00 0.00 C ATOM 0 H ILE A 83 -1.438 -10.808 2.845 1.00 0.00 H new ATOM 0 HA ILE A 83 0.224 -8.702 2.018 1.00 0.00 H new ATOM 0 HB ILE A 83 0.474 -11.716 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.502 -9.796 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.316 -11.067 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.880 -11.293 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.907 -10.526 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.574 -9.541 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.499 -11.744 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.030 -12.773 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.235 -11.482 3.264 1.00 0.00 H new ATOM 1247 N LEU A 84 0.029 -8.451 -0.441 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.127 -8.243 -1.877 1.00 0.00 C ATOM 1249 C LEU A 84 1.133 -8.661 -2.627 1.00 0.00 C ATOM 1250 O LEU A 84 1.075 -9.035 -3.799 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.444 -6.775 -2.168 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.457 -6.110 -1.235 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.596 -4.632 -1.566 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.806 -6.808 -1.328 1.00 0.00 C ATOM 0 H LEU A 84 0.469 -7.674 0.052 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.955 -8.862 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.486 -6.208 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.817 -6.700 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.094 -6.200 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.321 -4.175 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.630 -4.140 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.937 -4.520 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.514 -6.322 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.176 -6.749 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.695 -7.854 -1.042 1.00 0.00 H new ATOM 1266 N TYR A 85 2.271 -8.597 -1.944 1.00 0.00 N ATOM 1267 CA TYR A 85 3.546 -8.969 -2.546 1.00 0.00 C ATOM 1268 C TYR A 85 3.403 -10.233 -3.389 1.00 0.00 C ATOM 1269 O TYR A 85 3.483 -11.348 -2.875 1.00 0.00 O ATOM 1270 CB TYR A 85 4.603 -9.183 -1.462 1.00 0.00 C ATOM 1271 CG TYR A 85 5.989 -9.439 -2.009 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.361 -10.704 -2.448 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.927 -8.417 -2.087 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.626 -10.943 -2.948 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.194 -8.646 -2.587 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.539 -9.911 -3.016 1.00 0.00 C ATOM 1277 OH TYR A 85 9.800 -10.144 -3.513 1.00 0.00 O ATOM 0 H TYR A 85 2.336 -8.291 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 85 3.862 -8.154 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.633 -8.305 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.306 -10.026 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.649 -11.514 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.661 -7.426 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.899 -11.932 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.910 -7.840 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 85 10.318 -9.312 -3.493 1.00 0.00 H new ATOM 1287 N GLY A 86 3.190 -10.049 -4.688 1.00 0.00 N ATOM 1288 CA GLY A 86 3.039 -11.182 -5.583 1.00 0.00 C ATOM 1289 C GLY A 86 1.690 -11.200 -6.273 1.00 0.00 C ATOM 1290 O GLY A 86 1.302 -12.207 -6.866 1.00 0.00 O ATOM 0 H GLY A 86 3.119 -9.136 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.828 -11.155 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.168 -12.106 -5.019 1.00 0.00 H new ATOM 1294 N ARG A 87 0.972 -10.085 -6.195 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.343 -9.977 -6.815 1.00 0.00 C ATOM 1296 C ARG A 87 -0.455 -8.695 -7.634 1.00 0.00 C ATOM 1297 O ARG A 87 0.331 -7.765 -7.460 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.438 -10.010 -5.747 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.546 -11.344 -5.025 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.282 -11.203 -3.702 1.00 0.00 C ATOM 1301 NE ARG A 87 -2.470 -12.492 -3.041 1.00 0.00 N ATOM 1302 CZ ARG A 87 -3.360 -13.396 -3.433 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -4.139 -13.154 -4.478 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -3.472 -14.546 -2.781 1.00 0.00 N ATOM 0 H ARG A 87 1.279 -9.243 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.472 -10.827 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.244 -9.225 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.396 -9.781 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.068 -12.061 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.548 -11.744 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.723 -10.537 -3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.253 -10.739 -3.875 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.885 -12.710 -2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.055 -12.272 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.822 -13.850 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.874 -14.737 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.156 -15.239 -3.084 1.00 0.00 H new ATOM 1318 N SER A 88 -1.438 -8.655 -8.529 1.00 0.00 N ATOM 1319 CA SER A 88 -1.650 -7.489 -9.379 1.00 0.00 C ATOM 1320 C SER A 88 -2.405 -6.398 -8.626 1.00 0.00 C ATOM 1321 O SER A 88 -3.146 -6.678 -7.682 1.00 0.00 O ATOM 1322 CB SER A 88 -2.423 -7.884 -10.638 1.00 0.00 C ATOM 1323 OG SER A 88 -2.719 -6.748 -11.432 1.00 0.00 O ATOM 0 H SER A 88 -2.099 -9.416 -8.684 1.00 0.00 H new ATOM 0 HA SER A 88 -0.674 -7.098 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.837 -8.596 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.349 -8.387 -10.358 1.00 0.00 H new ATOM 0 HG SER A 88 -3.212 -7.027 -12.232 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.212 -5.153 -9.049 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.875 -4.019 -8.416 1.00 0.00 C ATOM 1331 C HIS A 89 -4.387 -4.223 -8.382 1.00 0.00 C ATOM 1332 O HIS A 89 -5.038 -3.934 -7.378 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.540 -2.725 -9.159 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.922 -2.750 -10.607 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -4.167 -2.374 -11.064 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -2.213 -3.109 -11.704 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -4.209 -2.501 -12.378 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -3.036 -2.945 -12.791 1.00 0.00 N ATOM 0 H HIS A 89 -1.602 -4.904 -9.827 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.513 -3.944 -7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.049 -1.894 -8.672 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.470 -2.535 -9.077 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.191 -3.459 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.058 -2.279 -13.007 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.782 -3.135 -13.760 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.937 -4.721 -9.484 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.372 -4.961 -9.580 1.00 0.00 C ATOM 1349 C GLN A 90 -6.875 -5.739 -8.368 1.00 0.00 C ATOM 1350 O GLN A 90 -7.937 -5.441 -7.824 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.698 -5.726 -10.864 1.00 0.00 C ATOM 1352 CG GLN A 90 -8.082 -5.426 -11.416 1.00 0.00 C ATOM 1353 CD GLN A 90 -9.147 -6.346 -10.854 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -9.299 -6.469 -9.638 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -9.893 -6.999 -11.738 1.00 0.00 N ATOM 0 H GLN A 90 -4.411 -4.966 -10.323 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.876 -3.995 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.953 -5.482 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.617 -6.796 -10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.343 -4.393 -11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.064 -5.519 -12.502 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.733 -6.867 -12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.626 -7.632 -11.418 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.105 -6.739 -7.952 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.473 -7.561 -6.805 1.00 0.00 C ATOM 1366 C ASN A 91 -6.526 -6.725 -5.530 1.00 0.00 C ATOM 1367 O ASN A 91 -7.490 -6.794 -4.769 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.478 -8.710 -6.634 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.775 -9.876 -7.557 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.922 -10.305 -7.683 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -4.740 -10.395 -8.207 1.00 0.00 N ATOM 0 H ASN A 91 -5.222 -7.000 -8.392 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.465 -7.973 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.469 -8.345 -6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.499 -9.054 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.879 -11.182 -8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.806 -10.007 -8.072 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.482 -5.934 -5.305 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.410 -5.082 -4.124 1.00 0.00 C ATOM 1380 C ALA A 92 -6.733 -4.362 -3.886 1.00 0.00 C ATOM 1381 O ALA A 92 -7.344 -4.502 -2.827 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.277 -4.076 -4.268 1.00 0.00 C ATOM 0 H ALA A 92 -4.675 -5.865 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.211 -5.716 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.234 -3.446 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.332 -4.607 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.452 -3.454 -5.146 1.00 0.00 H new ATOM 1388 N SER A 93 -7.168 -3.589 -4.876 1.00 0.00 N ATOM 1389 CA SER A 93 -8.416 -2.843 -4.771 1.00 0.00 C ATOM 1390 C SER A 93 -9.538 -3.733 -4.244 1.00 0.00 C ATOM 1391 O SER A 93 -10.280 -3.346 -3.342 1.00 0.00 O ATOM 1392 CB SER A 93 -8.806 -2.266 -6.134 1.00 0.00 C ATOM 1393 OG SER A 93 -9.254 -3.285 -7.010 1.00 0.00 O ATOM 0 H SER A 93 -6.674 -3.463 -5.760 1.00 0.00 H new ATOM 0 HA SER A 93 -8.263 -2.025 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.591 -1.521 -6.006 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.950 -1.754 -6.574 1.00 0.00 H new ATOM 0 HG SER A 93 -8.504 -3.873 -7.239 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.656 -4.927 -4.815 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.685 -5.873 -4.402 1.00 0.00 C ATOM 1401 C ALA A 94 -10.665 -6.082 -2.892 1.00 0.00 C ATOM 1402 O ALA A 94 -11.710 -6.070 -2.240 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.501 -7.201 -5.123 1.00 0.00 C ATOM 0 H ALA A 94 -9.052 -5.262 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.656 -5.457 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.276 -7.898 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.573 -7.044 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.521 -7.613 -4.882 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.471 -6.274 -2.341 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.316 -6.485 -0.907 1.00 0.00 C ATOM 1411 C ILE A 95 -9.902 -5.321 -0.114 1.00 0.00 C ATOM 1412 O ILE A 95 -10.625 -5.524 0.861 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.835 -6.661 -0.521 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.220 -7.829 -1.293 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.702 -6.881 0.979 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.707 -7.822 -1.294 1.00 0.00 C ATOM 0 H ILE A 95 -8.597 -6.288 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.858 -7.398 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.295 -5.752 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.571 -8.766 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.576 -7.801 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.650 -7.004 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.108 -6.020 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.253 -7.777 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.340 -8.678 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.348 -6.902 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.342 -7.881 -0.269 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.586 -4.103 -0.541 1.00 0.00 N ATOM 1429 CA ILE A 96 -10.084 -2.907 0.128 1.00 0.00 C ATOM 1430 C ILE A 96 -11.607 -2.845 0.081 1.00 0.00 C ATOM 1431 O ILE A 96 -12.260 -2.587 1.092 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.509 -1.627 -0.506 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.989 -1.587 -0.338 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.149 -0.395 0.115 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.317 -0.514 -1.166 1.00 0.00 C ATOM 0 H ILE A 96 -8.988 -3.918 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.757 -2.967 1.166 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.738 -1.633 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.752 -1.425 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.576 -2.558 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.732 0.502 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.226 -0.421 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.948 -0.382 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.241 -0.544 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.523 -0.687 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.702 0.464 -0.876 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.167 -3.085 -1.100 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.614 -3.060 -1.280 1.00 0.00 C ATOM 1449 C LYS A 97 -14.305 -3.962 -0.262 1.00 0.00 C ATOM 1450 O LYS A 97 -15.386 -3.642 0.233 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.979 -3.501 -2.699 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.271 -2.888 -3.212 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.419 -3.076 -4.713 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.569 -2.080 -5.486 1.00 0.00 C ATOM 1455 NZ LYS A 97 -15.312 -0.822 -5.773 1.00 0.00 N ATOM 0 H LYS A 97 -11.641 -3.299 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.957 -2.037 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.166 -3.233 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.068 -4.587 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.119 -3.344 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.290 -1.825 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.129 -4.091 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.466 -2.958 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.670 -1.849 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.243 -2.531 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.698 -0.169 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.156 -1.039 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.601 -0.378 -4.878 1.00 0.00 H new ATOM 1469 N THR A 98 -13.673 -5.090 0.048 1.00 0.00 N ATOM 1470 CA THR A 98 -14.227 -6.037 1.007 1.00 0.00 C ATOM 1471 C THR A 98 -13.799 -5.694 2.429 1.00 0.00 C ATOM 1472 O THR A 98 -14.459 -6.074 3.395 1.00 0.00 O ATOM 1473 CB THR A 98 -13.792 -7.480 0.686 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.370 -7.601 0.805 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.224 -7.876 -0.718 1.00 0.00 C ATOM 0 H THR A 98 -12.777 -5.370 -0.351 1.00 0.00 H new ATOM 0 HA THR A 98 -15.312 -5.966 0.930 1.00 0.00 H new ATOM 0 HB THR A 98 -14.274 -8.148 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.974 -6.711 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.906 -8.898 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.309 -7.811 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.767 -7.202 -1.443 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.689 -4.972 2.550 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.175 -4.575 3.855 1.00 0.00 C ATOM 1485 C ALA A 99 -13.076 -3.531 4.506 1.00 0.00 C ATOM 1486 O ALA A 99 -13.715 -2.722 3.833 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.756 -4.041 3.722 1.00 0.00 C ATOM 0 H ALA A 99 -12.129 -4.651 1.760 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.162 -5.456 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.384 -3.748 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.113 -4.817 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.754 -3.175 3.060 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.131 -3.549 5.846 1.00 0.00 N ATOM 1494 CA PRO A 100 -13.951 -2.610 6.617 1.00 0.00 C ATOM 1495 C PRO A 100 -13.411 -1.185 6.560 1.00 0.00 C ATOM 1496 O PRO A 100 -12.378 -0.928 5.942 1.00 0.00 O ATOM 1497 CB PRO A 100 -13.868 -3.156 8.044 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.584 -3.910 8.088 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.395 -4.486 6.711 1.00 0.00 C ATOM 0 HA PRO A 100 -14.968 -2.544 6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.879 -2.350 8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.715 -3.804 8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.755 -3.254 8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.620 -4.699 8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.341 -4.540 6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.795 -5.497 6.640 1.00 0.00 H new ATOM 1507 N SER A 101 -14.115 -0.264 7.208 1.00 0.00 N ATOM 1508 CA SER A 101 -13.707 1.136 7.228 1.00 0.00 C ATOM 1509 C SER A 101 -12.240 1.269 7.624 1.00 0.00 C ATOM 1510 O SER A 101 -11.411 1.727 6.837 1.00 0.00 O ATOM 1511 CB SER A 101 -14.583 1.931 8.199 1.00 0.00 C ATOM 1512 OG SER A 101 -15.838 2.240 7.618 1.00 0.00 O ATOM 0 H SER A 101 -14.971 -0.461 7.726 1.00 0.00 H new ATOM 0 HA SER A 101 -13.832 1.539 6.223 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.733 1.356 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.074 2.852 8.483 1.00 0.00 H new ATOM 0 HG SER A 101 -16.379 2.746 8.259 1.00 0.00 H new ATOM 1518 N LYS A 102 -11.926 0.865 8.850 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.559 0.937 9.353 1.00 0.00 C ATOM 1520 C LYS A 102 -9.687 -0.140 8.715 1.00 0.00 C ATOM 1521 O LYS A 102 -9.823 -1.325 9.022 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.545 0.783 10.876 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.239 1.215 11.519 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.439 1.625 12.968 1.00 0.00 C ATOM 1525 CE LYS A 102 -9.750 3.109 13.090 1.00 0.00 C ATOM 1526 NZ LYS A 102 -10.088 3.492 14.488 1.00 0.00 N ATOM 0 H LYS A 102 -12.600 0.484 9.514 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.152 1.913 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.360 1.370 11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.737 -0.260 11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.519 0.398 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.815 2.049 10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.253 1.045 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.541 1.392 13.540 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.891 3.689 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.583 3.361 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.293 4.511 14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.923 2.958 14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.284 3.276 15.111 1.00 0.00 H new ATOM 1540 N VAL A 103 -8.792 0.279 7.827 1.00 0.00 N ATOM 1541 CA VAL A 103 -7.896 -0.650 7.148 1.00 0.00 C ATOM 1542 C VAL A 103 -6.437 -0.267 7.369 1.00 0.00 C ATOM 1543 O VAL A 103 -6.096 0.914 7.438 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.179 -0.697 5.634 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.407 -1.834 4.982 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.671 -0.837 5.376 1.00 0.00 C ATOM 0 H VAL A 103 -8.668 1.256 7.561 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.079 -1.636 7.576 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.843 0.240 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.619 -1.852 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.339 -1.684 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.709 -2.782 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.853 -0.869 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.034 -1.757 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.196 0.015 5.808 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.577 -1.275 7.481 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.153 -1.046 7.693 1.00 0.00 C ATOM 1558 C LYS A 104 -3.384 -1.148 6.380 1.00 0.00 C ATOM 1559 O LYS A 104 -3.402 -2.186 5.717 1.00 0.00 O ATOM 1560 CB LYS A 104 -3.598 -2.055 8.701 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.083 -2.037 8.808 1.00 0.00 C ATOM 1562 CD LYS A 104 -1.541 -3.382 9.261 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.435 -3.459 10.776 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.617 -4.849 11.276 1.00 0.00 N ATOM 0 H LYS A 104 -5.842 -2.258 7.428 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.028 -0.039 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.026 -1.849 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.922 -3.056 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.652 -1.777 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.776 -1.264 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.192 -4.178 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.559 -3.548 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.461 -3.085 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.187 -2.810 11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.538 -4.858 12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.556 -5.198 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.884 -5.464 10.867 1.00 0.00 H new ATOM 1578 N LEU A 105 -2.709 -0.066 6.009 1.00 0.00 N ATOM 1579 CA LEU A 105 -1.932 -0.034 4.775 1.00 0.00 C ATOM 1580 C LEU A 105 -0.436 -0.092 5.072 1.00 0.00 C ATOM 1581 O LEU A 105 0.179 0.917 5.416 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.256 1.230 3.977 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.709 1.385 3.526 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.072 2.856 3.393 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -3.940 0.656 2.211 1.00 0.00 C ATOM 0 H LEU A 105 -2.684 0.801 6.545 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.201 -0.909 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.990 2.096 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.618 1.251 3.093 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.354 0.939 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.109 2.947 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.946 3.350 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.421 3.326 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.979 0.777 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.286 1.072 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.721 -0.404 2.339 1.00 0.00 H new ATOM 1597 N VAL A 106 0.143 -1.281 4.933 1.00 0.00 N ATOM 1598 CA VAL A 106 1.567 -1.470 5.183 1.00 0.00 C ATOM 1599 C VAL A 106 2.377 -1.298 3.903 1.00 0.00 C ATOM 1600 O VAL A 106 2.336 -2.145 3.010 1.00 0.00 O ATOM 1601 CB VAL A 106 1.852 -2.864 5.774 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.338 -3.031 6.054 1.00 0.00 C ATOM 1603 CG2 VAL A 106 1.035 -3.083 7.038 1.00 0.00 C ATOM 0 H VAL A 106 -0.352 -2.127 4.649 1.00 0.00 H new ATOM 0 HA VAL A 106 1.866 -0.709 5.904 1.00 0.00 H new ATOM 0 HB VAL A 106 1.557 -3.617 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.521 -4.021 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.898 -2.919 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.662 -2.272 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.248 -4.072 7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.297 -2.325 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.027 -3.009 6.802 1.00 0.00 H new ATOM 1613 N PHE A 107 3.115 -0.196 3.820 1.00 0.00 N ATOM 1614 CA PHE A 107 3.935 0.089 2.649 1.00 0.00 C ATOM 1615 C PHE A 107 5.321 0.577 3.061 1.00 0.00 C ATOM 1616 O PHE A 107 5.647 0.622 4.247 1.00 0.00 O ATOM 1617 CB PHE A 107 3.255 1.137 1.765 1.00 0.00 C ATOM 1618 CG PHE A 107 3.114 2.478 2.427 1.00 0.00 C ATOM 1619 CD1 PHE A 107 4.113 3.431 2.309 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.983 2.786 3.165 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.987 4.666 2.918 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.851 4.020 3.775 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.854 4.961 3.650 1.00 0.00 C ATOM 0 H PHE A 107 3.162 0.514 4.550 1.00 0.00 H new ATOM 0 HA PHE A 107 4.048 -0.835 2.083 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.829 1.253 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.267 0.775 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.000 3.207 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.195 2.054 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.774 5.399 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.965 4.248 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.752 5.926 4.124 1.00 0.00 H new ATOM 1633 N ILE A 108 6.132 0.941 2.073 1.00 0.00 N ATOM 1634 CA ILE A 108 7.481 1.427 2.332 1.00 0.00 C ATOM 1635 C ILE A 108 7.688 2.818 1.744 1.00 0.00 C ATOM 1636 O ILE A 108 7.292 3.089 0.610 1.00 0.00 O ATOM 1637 CB ILE A 108 8.543 0.473 1.753 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.948 0.964 2.108 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.383 0.356 0.244 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.960 -0.152 2.251 1.00 0.00 C ATOM 0 H ILE A 108 5.878 0.908 1.086 1.00 0.00 H new ATOM 0 HA ILE A 108 7.597 1.473 3.415 1.00 0.00 H new ATOM 0 HB ILE A 108 8.401 -0.515 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.288 1.655 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.903 1.525 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.140 -0.321 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.392 -0.033 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.502 1.339 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.933 0.269 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.643 -0.832 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.034 -0.699 1.311 1.00 0.00 H new ATOM 1652 N ARG A 109 8.312 3.697 2.521 1.00 0.00 N ATOM 1653 CA ARG A 109 8.572 5.061 2.077 1.00 0.00 C ATOM 1654 C ARG A 109 9.977 5.184 1.494 1.00 0.00 C ATOM 1655 O ARG A 109 10.969 5.080 2.213 1.00 0.00 O ATOM 1656 CB ARG A 109 8.403 6.040 3.240 1.00 0.00 C ATOM 1657 CG ARG A 109 8.337 7.495 2.807 1.00 0.00 C ATOM 1658 CD ARG A 109 7.725 8.371 3.889 1.00 0.00 C ATOM 1659 NE ARG A 109 7.133 9.588 3.338 1.00 0.00 N ATOM 1660 CZ ARG A 109 7.824 10.696 3.095 1.00 0.00 C ATOM 1661 NH1 ARG A 109 9.124 10.741 3.352 1.00 0.00 N ATOM 1662 NH2 ARG A 109 7.214 11.762 2.593 1.00 0.00 N ATOM 0 H ARG A 109 8.647 3.489 3.462 1.00 0.00 H new ATOM 0 HA ARG A 109 7.851 5.306 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.492 5.790 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.234 5.914 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.340 7.852 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.748 7.578 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.961 7.806 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.492 8.638 4.616 1.00 0.00 H new ATOM 0 HE ARG A 109 6.135 9.587 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.596 9.923 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.652 11.593 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.214 11.731 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.745 12.613 2.407 1.00 0.00 H new ATOM 1676 N ASN A 110 10.052 5.405 0.186 1.00 0.00 N ATOM 1677 CA ASN A 110 11.334 5.542 -0.494 1.00 0.00 C ATOM 1678 C ASN A 110 11.242 6.554 -1.632 1.00 0.00 C ATOM 1679 O ASN A 110 10.197 6.697 -2.266 1.00 0.00 O ATOM 1680 CB ASN A 110 11.793 4.187 -1.038 1.00 0.00 C ATOM 1681 CG ASN A 110 13.233 4.212 -1.513 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.819 5.279 -1.699 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.812 3.033 -1.711 1.00 0.00 N ATOM 0 H ASN A 110 9.240 5.493 -0.424 1.00 0.00 H new ATOM 0 HA ASN A 110 12.064 5.903 0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.683 3.430 -0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.146 3.892 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.780 2.987 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.289 2.173 -1.544 1.00 0.00 H new ATOM 1690 N GLU A 111 12.344 7.254 -1.884 1.00 0.00 N ATOM 1691 CA GLU A 111 12.387 8.254 -2.945 1.00 0.00 C ATOM 1692 C GLU A 111 12.682 7.603 -4.294 1.00 0.00 C ATOM 1693 O GLU A 111 12.251 8.091 -5.338 1.00 0.00 O ATOM 1694 CB GLU A 111 13.445 9.314 -2.635 1.00 0.00 C ATOM 1695 CG GLU A 111 14.871 8.794 -2.718 1.00 0.00 C ATOM 1696 CD GLU A 111 15.867 9.711 -2.035 1.00 0.00 C ATOM 1697 OE1 GLU A 111 15.900 9.729 -0.787 1.00 0.00 O ATOM 1698 OE2 GLU A 111 16.614 10.410 -2.751 1.00 0.00 O ATOM 0 H GLU A 111 13.218 7.147 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 111 11.409 8.733 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.329 10.145 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.269 9.709 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.920 7.806 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.150 8.676 -3.765 1.00 0.00 H new ATOM 1705 N ASP A 112 13.421 6.500 -4.262 1.00 0.00 N ATOM 1706 CA ASP A 112 13.775 5.781 -5.481 1.00 0.00 C ATOM 1707 C ASP A 112 12.573 5.018 -6.030 1.00 0.00 C ATOM 1708 O ASP A 112 12.519 4.698 -7.217 1.00 0.00 O ATOM 1709 CB ASP A 112 14.929 4.814 -5.212 1.00 0.00 C ATOM 1710 CG ASP A 112 15.563 4.299 -6.489 1.00 0.00 C ATOM 1711 OD1 ASP A 112 15.672 5.083 -7.455 1.00 0.00 O ATOM 1712 OD2 ASP A 112 15.951 3.113 -6.522 1.00 0.00 O ATOM 0 H ASP A 112 13.787 6.084 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 112 14.090 6.512 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 112 15.687 5.316 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.563 3.971 -4.626 1.00 0.00 H new ATOM 1717 N ALA A 113 11.612 4.730 -5.158 1.00 0.00 N ATOM 1718 CA ALA A 113 10.411 4.006 -5.556 1.00 0.00 C ATOM 1719 C ALA A 113 9.751 4.661 -6.764 1.00 0.00 C ATOM 1720 O ALA A 113 9.384 3.985 -7.726 1.00 0.00 O ATOM 1721 CB ALA A 113 9.432 3.930 -4.394 1.00 0.00 C ATOM 0 H ALA A 113 11.642 4.987 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 113 10.703 2.994 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.540 3.387 -4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.900 3.411 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.154 4.938 -4.086 1.00 0.00 H new ATOM 1727 N VAL A 114 9.601 5.981 -6.709 1.00 0.00 N ATOM 1728 CA VAL A 114 8.985 6.727 -7.800 1.00 0.00 C ATOM 1729 C VAL A 114 9.638 6.388 -9.135 1.00 0.00 C ATOM 1730 O VAL A 114 9.039 6.571 -10.194 1.00 0.00 O ATOM 1731 CB VAL A 114 9.080 8.246 -7.565 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.390 8.630 -6.265 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.534 8.693 -7.558 1.00 0.00 C ATOM 0 H VAL A 114 9.898 6.556 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 114 7.935 6.437 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 114 8.570 8.755 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.468 9.707 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.339 8.345 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.868 8.113 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.583 9.769 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.069 8.177 -6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.993 8.454 -8.517 1.00 0.00 H new ATOM 1743 N ASN A 115 10.869 5.892 -9.076 1.00 0.00 N ATOM 1744 CA ASN A 115 11.605 5.527 -10.282 1.00 0.00 C ATOM 1745 C ASN A 115 11.312 4.084 -10.682 1.00 0.00 C ATOM 1746 O ASN A 115 11.468 3.708 -11.843 1.00 0.00 O ATOM 1747 CB ASN A 115 13.107 5.713 -10.064 1.00 0.00 C ATOM 1748 CG ASN A 115 13.481 7.162 -9.819 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.720 8.074 -10.140 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.660 7.380 -9.247 1.00 0.00 N ATOM 0 H ASN A 115 11.378 5.733 -8.207 1.00 0.00 H new ATOM 0 HA ASN A 115 11.278 6.183 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.425 5.110 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.646 5.344 -10.936 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.966 8.334 -9.057 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.259 6.593 -8.997 1.00 0.00 H new ATOM 1757 N GLN A 116 10.886 3.282 -9.711 1.00 0.00 N ATOM 1758 CA GLN A 116 10.572 1.880 -9.962 1.00 0.00 C ATOM 1759 C GLN A 116 9.099 1.708 -10.318 1.00 0.00 C ATOM 1760 O GLN A 116 8.733 0.802 -11.067 1.00 0.00 O ATOM 1761 CB GLN A 116 10.915 1.031 -8.737 1.00 0.00 C ATOM 1762 CG GLN A 116 12.409 0.874 -8.505 1.00 0.00 C ATOM 1763 CD GLN A 116 12.742 -0.324 -7.638 1.00 0.00 C ATOM 1764 OE1 GLN A 116 12.311 -1.443 -7.914 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.514 -0.094 -6.582 1.00 0.00 N ATOM 0 H GLN A 116 10.751 3.579 -8.745 1.00 0.00 H new ATOM 0 HA GLN A 116 11.173 1.545 -10.807 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.464 1.484 -7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.468 0.044 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.914 0.774 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.797 1.777 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.849 0.850 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.772 -0.862 -5.962 1.00 0.00 H new ATOM 1774 N MET A 117 8.258 2.584 -9.777 1.00 0.00 N ATOM 1775 CA MET A 117 6.824 2.528 -10.039 1.00 0.00 C ATOM 1776 C MET A 117 6.505 3.063 -11.431 1.00 0.00 C ATOM 1777 O MET A 117 7.111 4.031 -11.889 1.00 0.00 O ATOM 1778 CB MET A 117 6.060 3.331 -8.984 1.00 0.00 C ATOM 1779 CG MET A 117 6.496 4.784 -8.893 1.00 0.00 C ATOM 1780 SD MET A 117 5.549 5.863 -9.985 1.00 0.00 S ATOM 1781 CE MET A 117 5.081 7.167 -8.849 1.00 0.00 C ATOM 0 H MET A 117 8.544 3.340 -9.155 1.00 0.00 H new ATOM 0 HA MET A 117 6.511 1.485 -9.989 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.995 3.293 -9.212 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.195 2.858 -8.011 1.00 0.00 H new ATOM 0 HG2 MET A 117 6.387 5.128 -7.865 1.00 0.00 H new ATOM 0 HG3 MET A 117 7.554 4.858 -9.144 1.00 0.00 H new ATOM 0 HE1 MET A 117 4.295 7.775 -9.297 1.00 0.00 H new ATOM 0 HE2 MET A 117 4.715 6.727 -7.921 1.00 0.00 H new ATOM 0 HE3 MET A 117 5.948 7.793 -8.636 1.00 0.00 H new ATOM 1791 N ALA A 118 5.550 2.425 -12.101 1.00 0.00 N ATOM 1792 CA ALA A 118 5.150 2.838 -13.440 1.00 0.00 C ATOM 1793 C ALA A 118 4.314 4.112 -13.394 1.00 0.00 C ATOM 1794 O ALA A 118 4.132 4.710 -12.334 1.00 0.00 O ATOM 1795 CB ALA A 118 4.378 1.722 -14.127 1.00 0.00 C ATOM 0 H ALA A 118 5.039 1.620 -11.738 1.00 0.00 H new ATOM 0 HA ALA A 118 6.052 3.048 -14.014 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.085 2.044 -15.126 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.008 0.836 -14.201 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.486 1.485 -13.546 1.00 0.00 H new