USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Set 1.2: A 71 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 60 THR OG1 : rot -41:sc= 0.283 USER MOD Set 2.2: A 63 GLN : amide:sc= -3.52 K(o=-3.4,f=-5.5!) USER MOD Set 2.3: A 70 TYR OH : rot -140:sc= -0.148 USER MOD Set 3.1: A 8 SER OG : rot -100:sc= -0.357 USER MOD Set 3.2: A 21 GLN : amide:sc= -1.91! K(o=-2.3!,f=-2.9) USER MOD Set 4.1: A 9 THR OG1 : rot 141:sc= -0.94 USER MOD Set 4.2: A 41 SER OG : rot -164:sc= -0.976 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 58:sc= 0.0506 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 130:sc= -0.873 USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= -0.573 (180deg=-0.876) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.975 K(o=-0.97,f=-0.43) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 35 TYR OH : rot 15:sc= -2.38! USER MOD Single : A 36 GLN : amide:sc= -0.488 K(o=-0.49,f=-1) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 50 MET CE :methyl -166:sc= 0 (180deg=-0.184) USER MOD Single : A 56 ASN : amide:sc= -0.627 K(o=-0.63,f=-0.027) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.2!) USER MOD Single : A 84 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 10.392 1.024 -0.696 1.00 0.00 N ATOM 39 CA LEU A 4 8.990 0.657 -0.851 1.00 0.00 C ATOM 40 C LEU A 4 8.104 1.527 0.034 1.00 0.00 C ATOM 41 O LEU A 4 8.268 1.557 1.254 1.00 0.00 O ATOM 42 CB LEU A 4 8.785 -0.820 -0.507 1.00 0.00 C ATOM 43 CG LEU A 4 9.107 -1.799 -1.637 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.797 -3.226 -1.212 1.00 0.00 C ATOM 45 CD2 LEU A 4 8.330 -1.434 -2.894 1.00 0.00 C ATOM 0 HA LEU A 4 8.708 0.820 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.406 -1.066 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.748 -0.966 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 4 10.172 -1.732 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.032 -3.908 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.397 -3.484 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.739 -3.310 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.571 -2.140 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.261 -1.473 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.601 -0.427 -3.210 1.00 0.00 H new ATOM 57 N ARG A 5 7.169 2.237 -0.587 1.00 0.00 N ATOM 58 CA ARG A 5 6.262 3.112 0.148 1.00 0.00 C ATOM 59 C ARG A 5 4.838 2.567 0.131 1.00 0.00 C ATOM 60 O ARG A 5 4.289 2.264 -0.929 1.00 0.00 O ATOM 61 CB ARG A 5 6.281 4.524 -0.445 1.00 0.00 C ATOM 62 CG ARG A 5 7.643 4.951 -0.969 1.00 0.00 C ATOM 63 CD ARG A 5 7.818 6.459 -0.905 1.00 0.00 C ATOM 64 NE ARG A 5 9.226 6.847 -0.896 1.00 0.00 N ATOM 65 CZ ARG A 5 9.665 8.037 -0.491 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.810 8.957 -0.061 1.00 0.00 N ATOM 67 NH2 ARG A 5 10.963 8.308 -0.515 1.00 0.00 N ATOM 0 H ARG A 5 7.019 2.224 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 5 6.606 3.152 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.557 4.576 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.957 5.233 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.426 4.468 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.760 4.614 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.321 6.918 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.331 6.843 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 5 9.914 6.166 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.811 8.754 -0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.152 9.867 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.625 7.605 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.299 9.220 -0.205 1.00 0.00 H new ATOM 81 N VAL A 6 4.244 2.450 1.313 1.00 0.00 N ATOM 82 CA VAL A 6 2.881 1.950 1.441 1.00 0.00 C ATOM 83 C VAL A 6 2.011 2.948 2.196 1.00 0.00 C ATOM 84 O VAL A 6 2.289 3.281 3.347 1.00 0.00 O ATOM 85 CB VAL A 6 2.844 0.594 2.170 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.438 0.013 2.149 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.838 -0.375 1.548 1.00 0.00 C ATOM 0 H VAL A 6 4.687 2.695 2.199 1.00 0.00 H new ATOM 0 HA VAL A 6 2.491 1.816 0.432 1.00 0.00 H new ATOM 0 HB VAL A 6 3.130 0.754 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.432 -0.945 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.753 0.700 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.120 -0.133 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.797 -1.327 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.586 -0.531 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.844 0.038 1.622 1.00 0.00 H new ATOM 97 N TYR A 7 0.959 3.427 1.540 1.00 0.00 N ATOM 98 CA TYR A 7 0.057 4.392 2.156 1.00 0.00 C ATOM 99 C TYR A 7 -0.928 3.700 3.090 1.00 0.00 C ATOM 100 O TYR A 7 -1.398 2.597 2.808 1.00 0.00 O ATOM 101 CB TYR A 7 -0.703 5.173 1.081 1.00 0.00 C ATOM 102 CG TYR A 7 0.089 6.314 0.482 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.191 7.534 1.139 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.734 6.172 -0.741 1.00 0.00 C ATOM 105 CE1 TYR A 7 0.913 8.580 0.595 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.458 7.213 -1.291 1.00 0.00 C ATOM 107 CZ TYR A 7 1.544 8.414 -0.620 1.00 0.00 C ATOM 108 OH TYR A 7 2.263 9.453 -1.165 1.00 0.00 O ATOM 0 H TYR A 7 0.711 3.164 0.586 1.00 0.00 H new ATOM 0 HA TYR A 7 0.658 5.087 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.994 4.488 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.622 5.568 1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.302 7.667 2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.668 5.233 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.982 9.522 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.954 7.086 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 7 2.645 9.172 -2.022 1.00 0.00 H new ATOM 118 N SER A 8 -1.235 4.355 4.204 1.00 0.00 N ATOM 119 CA SER A 8 -2.164 3.804 5.183 1.00 0.00 C ATOM 120 C SER A 8 -2.893 4.917 5.929 1.00 0.00 C ATOM 121 O SER A 8 -2.631 6.100 5.710 1.00 0.00 O ATOM 122 CB SER A 8 -1.419 2.911 6.178 1.00 0.00 C ATOM 123 OG SER A 8 -2.217 1.807 6.568 1.00 0.00 O ATOM 0 H SER A 8 -0.854 5.268 4.451 1.00 0.00 H new ATOM 0 HA SER A 8 -2.902 3.205 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.493 2.553 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.142 3.493 7.057 1.00 0.00 H new ATOM 0 HG SER A 8 -2.620 1.988 7.443 1.00 0.00 H new ATOM 129 N THR A 9 -3.810 4.530 6.810 1.00 0.00 N ATOM 130 CA THR A 9 -4.577 5.496 7.588 1.00 0.00 C ATOM 131 C THR A 9 -4.564 5.134 9.069 1.00 0.00 C ATOM 132 O THR A 9 -5.325 4.276 9.516 1.00 0.00 O ATOM 133 CB THR A 9 -6.019 5.562 7.080 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.796 6.425 7.891 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.706 4.214 7.053 1.00 0.00 C ATOM 0 H THR A 9 -4.040 3.555 7.003 1.00 0.00 H new ATOM 0 HA THR A 9 -4.111 6.474 7.467 1.00 0.00 H new ATOM 0 HB THR A 9 -5.950 5.936 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.408 6.942 7.326 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.724 4.332 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.157 3.539 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.732 3.799 8.060 1.00 0.00 H new ATOM 143 N SER A 10 -3.695 5.794 9.827 1.00 0.00 N ATOM 144 CA SER A 10 -3.583 5.542 11.258 1.00 0.00 C ATOM 145 C SER A 10 -4.866 5.935 11.982 1.00 0.00 C ATOM 146 O SER A 10 -5.422 5.151 12.751 1.00 0.00 O ATOM 147 CB SER A 10 -2.397 6.313 11.842 1.00 0.00 C ATOM 148 OG SER A 10 -1.220 5.525 11.831 1.00 0.00 O ATOM 0 H SER A 10 -3.058 6.508 9.474 1.00 0.00 H new ATOM 0 HA SER A 10 -3.419 4.474 11.401 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.233 7.224 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.625 6.617 12.864 1.00 0.00 H new ATOM 0 HG SER A 10 -1.028 5.237 10.914 1.00 0.00 H new ATOM 154 N VAL A 11 -5.332 7.154 11.730 1.00 0.00 N ATOM 155 CA VAL A 11 -6.550 7.651 12.357 1.00 0.00 C ATOM 156 C VAL A 11 -7.711 7.664 11.369 1.00 0.00 C ATOM 157 O VAL A 11 -7.733 8.462 10.432 1.00 0.00 O ATOM 158 CB VAL A 11 -6.354 9.072 12.918 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.563 9.495 13.737 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.084 9.145 13.752 1.00 0.00 C ATOM 0 H VAL A 11 -4.884 7.815 11.096 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.782 6.973 13.178 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.253 9.763 12.081 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.406 10.501 14.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.452 9.484 13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.700 8.803 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.961 10.156 14.140 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.154 8.443 14.583 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.226 8.888 13.131 1.00 0.00 H new ATOM 170 N THR A 12 -8.674 6.774 11.584 1.00 0.00 N ATOM 171 CA THR A 12 -9.839 6.682 10.711 1.00 0.00 C ATOM 172 C THR A 12 -11.009 6.019 11.431 1.00 0.00 C ATOM 173 O THR A 12 -10.896 4.892 11.912 1.00 0.00 O ATOM 174 CB THR A 12 -9.493 5.897 9.445 1.00 0.00 C ATOM 175 OG1 THR A 12 -10.659 5.629 8.686 1.00 0.00 O ATOM 176 CG2 THR A 12 -8.815 4.574 9.729 1.00 0.00 C ATOM 0 H THR A 12 -8.671 6.106 12.355 1.00 0.00 H new ATOM 0 HA THR A 12 -10.134 7.694 10.434 1.00 0.00 H new ATOM 0 HB THR A 12 -8.800 6.531 8.892 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.416 5.128 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.597 4.068 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.886 4.750 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.474 3.950 10.333 1.00 0.00 H new ATOM 184 N GLY A 13 -12.132 6.727 11.500 1.00 0.00 N ATOM 185 CA GLY A 13 -13.307 6.192 12.162 1.00 0.00 C ATOM 186 C GLY A 13 -13.887 4.991 11.440 1.00 0.00 C ATOM 187 O GLY A 13 -14.602 4.186 12.037 1.00 0.00 O ATOM 0 H GLY A 13 -12.249 7.662 11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.047 5.908 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.066 6.971 12.232 1.00 0.00 H new ATOM 191 N SER A 14 -13.582 4.871 10.151 1.00 0.00 N ATOM 192 CA SER A 14 -14.079 3.760 9.345 1.00 0.00 C ATOM 193 C SER A 14 -13.714 2.419 9.975 1.00 0.00 C ATOM 194 O SER A 14 -12.734 2.315 10.712 1.00 0.00 O ATOM 195 CB SER A 14 -13.514 3.840 7.926 1.00 0.00 C ATOM 196 OG SER A 14 -14.295 3.079 7.022 1.00 0.00 O ATOM 0 H SER A 14 -12.993 5.530 9.642 1.00 0.00 H new ATOM 0 HA SER A 14 -15.166 3.835 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.486 4.880 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.487 3.476 7.919 1.00 0.00 H new ATOM 0 HG SER A 14 -14.519 3.627 6.241 1.00 0.00 H new ATOM 202 N ARG A 15 -14.510 1.397 9.680 1.00 0.00 N ATOM 203 CA ARG A 15 -14.273 0.059 10.219 1.00 0.00 C ATOM 204 C ARG A 15 -13.937 -0.935 9.122 1.00 0.00 C ATOM 205 O ARG A 15 -13.470 -2.045 9.381 1.00 0.00 O ATOM 206 CB ARG A 15 -15.495 -0.422 10.991 1.00 0.00 C ATOM 207 CG ARG A 15 -15.687 0.275 12.330 1.00 0.00 C ATOM 208 CD ARG A 15 -16.100 -0.703 13.419 1.00 0.00 C ATOM 209 NE ARG A 15 -15.170 -0.694 14.545 1.00 0.00 N ATOM 210 CZ ARG A 15 -13.987 -1.303 14.535 1.00 0.00 C ATOM 211 NH1 ARG A 15 -13.585 -1.970 13.460 1.00 0.00 N ATOM 212 NH2 ARG A 15 -13.202 -1.245 15.603 1.00 0.00 N ATOM 0 H ARG A 15 -15.325 1.468 9.071 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.418 0.123 10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.384 -0.266 10.380 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.408 -1.495 11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.760 0.771 12.618 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.446 1.051 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.100 -0.451 13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.154 -1.708 13.002 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.444 -0.191 15.389 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.184 -2.018 12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.677 -2.435 13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.505 -0.734 16.432 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.295 -1.712 15.595 1.00 0.00 H new ATOM 226 N GLU A 16 -14.177 -0.516 7.905 1.00 0.00 N ATOM 227 CA GLU A 16 -13.909 -1.338 6.731 1.00 0.00 C ATOM 228 C GLU A 16 -12.561 -0.973 6.121 1.00 0.00 C ATOM 229 O GLU A 16 -11.873 -1.822 5.552 1.00 0.00 O ATOM 230 CB GLU A 16 -15.018 -1.161 5.693 1.00 0.00 C ATOM 231 CG GLU A 16 -16.418 -1.200 6.285 1.00 0.00 C ATOM 232 CD GLU A 16 -16.955 0.181 6.604 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.718 1.110 5.803 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.613 0.334 7.654 1.00 0.00 O ATOM 0 H GLU A 16 -14.564 0.403 7.690 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.881 -2.382 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.876 -0.210 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.929 -1.945 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.091 -1.694 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.407 -1.801 7.195 1.00 0.00 H new ATOM 241 N ILE A 17 -12.189 0.296 6.248 1.00 0.00 N ATOM 242 CA ILE A 17 -10.923 0.781 5.716 1.00 0.00 C ATOM 243 C ILE A 17 -9.748 0.245 6.530 1.00 0.00 C ATOM 244 O ILE A 17 -8.653 0.048 6.002 1.00 0.00 O ATOM 245 CB ILE A 17 -10.877 2.323 5.708 1.00 0.00 C ATOM 246 CG1 ILE A 17 -12.024 2.882 4.862 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.536 2.820 5.183 1.00 0.00 C ATOM 248 CD1 ILE A 17 -12.037 4.393 4.781 1.00 0.00 C ATOM 0 H ILE A 17 -12.749 1.008 6.716 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.843 0.419 4.691 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.993 2.677 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.954 2.473 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.972 2.541 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.525 3.910 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.735 2.448 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.387 2.459 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.876 4.717 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.139 4.810 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.105 4.742 4.336 1.00 0.00 H new ATOM 260 N LYS A 18 -9.984 0.010 7.817 1.00 0.00 N ATOM 261 CA LYS A 18 -8.946 -0.504 8.702 1.00 0.00 C ATOM 262 C LYS A 18 -8.592 -1.945 8.345 1.00 0.00 C ATOM 263 O LYS A 18 -7.427 -2.339 8.394 1.00 0.00 O ATOM 264 CB LYS A 18 -9.405 -0.422 10.161 1.00 0.00 C ATOM 265 CG LYS A 18 -8.709 0.670 10.957 1.00 0.00 C ATOM 266 CD LYS A 18 -9.631 1.267 12.007 1.00 0.00 C ATOM 267 CE LYS A 18 -8.847 1.994 13.089 1.00 0.00 C ATOM 268 NZ LYS A 18 -7.776 2.856 12.517 1.00 0.00 N ATOM 0 H LYS A 18 -10.884 0.167 8.269 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.055 0.111 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.481 -0.248 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.226 -1.383 10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.822 0.260 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.370 1.455 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.325 1.960 11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.230 0.476 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.528 2.606 13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.403 1.265 13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.720 3.744 13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.864 2.359 12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.995 3.068 11.523 1.00 0.00 H new ATOM 282 N SER A 19 -9.606 -2.726 7.986 1.00 0.00 N ATOM 283 CA SER A 19 -9.403 -4.123 7.620 1.00 0.00 C ATOM 284 C SER A 19 -8.451 -4.243 6.435 1.00 0.00 C ATOM 285 O SER A 19 -7.707 -5.217 6.319 1.00 0.00 O ATOM 286 CB SER A 19 -10.741 -4.783 7.282 1.00 0.00 C ATOM 287 OG SER A 19 -10.779 -6.124 7.740 1.00 0.00 O ATOM 0 H SER A 19 -10.576 -2.415 7.941 1.00 0.00 H new ATOM 0 HA SER A 19 -8.958 -4.635 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.554 -4.217 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.900 -4.759 6.204 1.00 0.00 H new ATOM 0 HG SER A 19 -11.645 -6.523 7.513 1.00 0.00 H new ATOM 293 N GLN A 20 -8.479 -3.246 5.556 1.00 0.00 N ATOM 294 CA GLN A 20 -7.618 -3.240 4.380 1.00 0.00 C ATOM 295 C GLN A 20 -6.155 -3.075 4.780 1.00 0.00 C ATOM 296 O GLN A 20 -5.327 -3.948 4.518 1.00 0.00 O ATOM 297 CB GLN A 20 -8.031 -2.118 3.424 1.00 0.00 C ATOM 298 CG GLN A 20 -8.852 -2.601 2.239 1.00 0.00 C ATOM 299 CD GLN A 20 -10.172 -1.866 2.103 1.00 0.00 C ATOM 300 OE1 GLN A 20 -10.416 -1.184 1.108 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.031 -2.001 3.107 1.00 0.00 N ATOM 0 H GLN A 20 -9.089 -2.432 5.636 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.731 -4.197 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.607 -1.375 3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.135 -1.618 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.273 -2.472 1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.045 -3.668 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.787 -2.577 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.935 -1.529 3.072 1.00 0.00 H new ATOM 310 N GLN A 21 -5.843 -1.951 5.416 1.00 0.00 N ATOM 311 CA GLN A 21 -4.480 -1.672 5.853 1.00 0.00 C ATOM 312 C GLN A 21 -3.991 -2.742 6.823 1.00 0.00 C ATOM 313 O GLN A 21 -2.798 -3.039 6.885 1.00 0.00 O ATOM 314 CB GLN A 21 -4.406 -0.295 6.515 1.00 0.00 C ATOM 315 CG GLN A 21 -5.478 -0.069 7.568 1.00 0.00 C ATOM 316 CD GLN A 21 -5.112 1.031 8.545 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.976 1.110 9.012 1.00 0.00 O ATOM 318 NE2 GLN A 21 -6.077 1.888 8.859 1.00 0.00 N ATOM 0 H GLN A 21 -6.516 -1.218 5.640 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.834 -1.680 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.425 -0.174 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.495 0.474 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.417 0.184 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.645 -0.996 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.005 1.785 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.890 2.650 9.511 1.00 0.00 H new ATOM 327 N SER A 22 -4.920 -3.318 7.579 1.00 0.00 N ATOM 328 CA SER A 22 -4.583 -4.356 8.546 1.00 0.00 C ATOM 329 C SER A 22 -4.152 -5.638 7.841 1.00 0.00 C ATOM 330 O SER A 22 -3.125 -6.228 8.176 1.00 0.00 O ATOM 331 CB SER A 22 -5.778 -4.639 9.458 1.00 0.00 C ATOM 332 OG SER A 22 -5.444 -5.585 10.459 1.00 0.00 O ATOM 0 H SER A 22 -5.912 -3.083 7.541 1.00 0.00 H new ATOM 0 HA SER A 22 -3.750 -3.998 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.110 -3.712 9.926 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.612 -5.013 8.864 1.00 0.00 H new ATOM 0 HG SER A 22 -6.224 -5.747 11.029 1.00 0.00 H new ATOM 338 N GLU A 23 -4.945 -6.064 6.863 1.00 0.00 N ATOM 339 CA GLU A 23 -4.646 -7.277 6.110 1.00 0.00 C ATOM 340 C GLU A 23 -3.304 -7.157 5.395 1.00 0.00 C ATOM 341 O GLU A 23 -2.470 -8.060 5.465 1.00 0.00 O ATOM 342 CB GLU A 23 -5.755 -7.559 5.094 1.00 0.00 C ATOM 343 CG GLU A 23 -5.801 -9.005 4.630 1.00 0.00 C ATOM 344 CD GLU A 23 -5.977 -9.980 5.777 1.00 0.00 C ATOM 345 OE1 GLU A 23 -4.966 -10.327 6.422 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.127 -10.398 6.030 1.00 0.00 O ATOM 0 H GLU A 23 -5.799 -5.588 6.573 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.589 -8.107 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.716 -7.297 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.616 -6.912 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.621 -9.130 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.881 -9.241 4.096 1.00 0.00 H new ATOM 353 N VAL A 24 -3.103 -6.037 4.708 1.00 0.00 N ATOM 354 CA VAL A 24 -1.861 -5.800 3.981 1.00 0.00 C ATOM 355 C VAL A 24 -0.664 -5.807 4.926 1.00 0.00 C ATOM 356 O VAL A 24 0.312 -6.522 4.701 1.00 0.00 O ATOM 357 CB VAL A 24 -1.899 -4.457 3.226 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.660 -4.296 2.357 1.00 0.00 C ATOM 359 CG2 VAL A 24 -3.164 -4.350 2.387 1.00 0.00 C ATOM 0 H VAL A 24 -3.783 -5.280 4.639 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.756 -6.610 3.259 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.908 -3.651 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.705 -3.342 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.231 -4.323 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.617 -5.108 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.172 -3.395 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.190 -5.163 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.037 -4.415 3.036 1.00 0.00 H new ATOM 369 N THR A 25 -0.747 -5.007 5.984 1.00 0.00 N ATOM 370 CA THR A 25 0.329 -4.921 6.964 1.00 0.00 C ATOM 371 C THR A 25 0.582 -6.278 7.613 1.00 0.00 C ATOM 372 O THR A 25 1.708 -6.592 8.000 1.00 0.00 O ATOM 373 CB THR A 25 -0.010 -3.885 8.036 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.365 -2.648 7.444 1.00 0.00 O ATOM 375 CG2 THR A 25 1.129 -3.624 8.998 1.00 0.00 C ATOM 0 H THR A 25 -1.549 -4.409 6.184 1.00 0.00 H new ATOM 0 HA THR A 25 1.236 -4.611 6.445 1.00 0.00 H new ATOM 0 HB THR A 25 -0.845 -4.310 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.336 -2.527 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.822 -2.879 9.732 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.393 -4.550 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.994 -3.254 8.447 1.00 0.00 H new ATOM 383 N ARG A 26 -0.472 -7.079 7.728 1.00 0.00 N ATOM 384 CA ARG A 26 -0.365 -8.403 8.330 1.00 0.00 C ATOM 385 C ARG A 26 0.626 -9.271 7.560 1.00 0.00 C ATOM 386 O ARG A 26 1.489 -9.919 8.152 1.00 0.00 O ATOM 387 CB ARG A 26 -1.737 -9.080 8.369 1.00 0.00 C ATOM 388 CG ARG A 26 -2.132 -9.572 9.753 1.00 0.00 C ATOM 389 CD ARG A 26 -3.567 -9.199 10.091 1.00 0.00 C ATOM 390 NE ARG A 26 -4.502 -10.276 9.773 1.00 0.00 N ATOM 391 CZ ARG A 26 -4.690 -11.345 10.543 1.00 0.00 C ATOM 392 NH1 ARG A 26 -4.010 -11.485 11.675 1.00 0.00 N ATOM 393 NH2 ARG A 26 -5.560 -12.278 10.181 1.00 0.00 N ATOM 0 H ARG A 26 -1.410 -6.834 7.412 1.00 0.00 H new ATOM 0 HA ARG A 26 0.001 -8.285 9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.490 -8.377 8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.737 -9.923 7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.016 -10.655 9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.460 -9.145 10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.639 -8.958 11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.847 -8.301 9.540 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.042 -10.204 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.339 -10.771 11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.159 -12.307 12.261 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.085 -12.176 9.312 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.704 -13.097 10.771 1.00 0.00 H new ATOM 407 N ILE A 27 0.497 -9.278 6.237 1.00 0.00 N ATOM 408 CA ILE A 27 1.381 -10.065 5.387 1.00 0.00 C ATOM 409 C ILE A 27 2.787 -9.474 5.363 1.00 0.00 C ATOM 410 O ILE A 27 3.772 -10.180 5.578 1.00 0.00 O ATOM 411 CB ILE A 27 0.847 -10.150 3.944 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.616 -10.601 3.942 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.700 -11.101 3.116 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.469 -9.880 2.921 1.00 0.00 C ATOM 0 H ILE A 27 -0.212 -8.747 5.731 1.00 0.00 H new ATOM 0 HA ILE A 27 1.417 -11.068 5.811 1.00 0.00 H new ATOM 0 HB ILE A 27 0.903 -9.158 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.657 -11.673 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.038 -10.442 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.309 -11.149 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.728 -10.740 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.674 -12.095 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.493 -10.250 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.458 -8.810 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.071 -10.060 1.922 1.00 0.00 H new ATOM 426 N LEU A 28 2.872 -8.173 5.102 1.00 0.00 N ATOM 427 CA LEU A 28 4.157 -7.485 5.051 1.00 0.00 C ATOM 428 C LEU A 28 4.884 -7.594 6.387 1.00 0.00 C ATOM 429 O LEU A 28 6.050 -7.987 6.442 1.00 0.00 O ATOM 430 CB LEU A 28 3.956 -6.014 4.685 1.00 0.00 C ATOM 431 CG LEU A 28 3.192 -5.768 3.383 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.589 -4.372 3.373 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.107 -5.965 2.184 1.00 0.00 C ATOM 0 H LEU A 28 2.066 -7.574 4.923 1.00 0.00 H new ATOM 0 HA LEU A 28 4.768 -7.963 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.423 -5.523 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.933 -5.537 4.610 1.00 0.00 H new ATOM 0 HG LEU A 28 2.380 -6.492 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.049 -4.215 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.901 -4.267 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.384 -3.632 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.547 -5.786 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.940 -5.265 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.490 -6.985 2.182 1.00 0.00 H new ATOM 445 N ASP A 29 4.187 -7.243 7.463 1.00 0.00 N ATOM 446 CA ASP A 29 4.763 -7.302 8.801 1.00 0.00 C ATOM 447 C ASP A 29 5.190 -8.726 9.143 1.00 0.00 C ATOM 448 O ASP A 29 6.310 -8.955 9.601 1.00 0.00 O ATOM 449 CB ASP A 29 3.757 -6.796 9.836 1.00 0.00 C ATOM 450 CG ASP A 29 4.413 -6.452 11.159 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.470 -7.041 11.469 1.00 0.00 O ATOM 452 OD2 ASP A 29 3.869 -5.593 11.885 1.00 0.00 O ATOM 0 H ASP A 29 3.222 -6.915 7.434 1.00 0.00 H new ATOM 0 HA ASP A 29 5.644 -6.661 8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.250 -5.914 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.994 -7.557 9.999 1.00 0.00 H new ATOM 457 N GLY A 30 4.292 -9.679 8.915 1.00 0.00 N ATOM 458 CA GLY A 30 4.597 -11.068 9.201 1.00 0.00 C ATOM 459 C GLY A 30 5.804 -11.562 8.428 1.00 0.00 C ATOM 460 O GLY A 30 6.583 -12.373 8.929 1.00 0.00 O ATOM 0 H GLY A 30 3.359 -9.514 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.779 -11.185 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.733 -11.686 8.955 1.00 0.00 H new ATOM 464 N LYS A 31 5.959 -11.067 7.205 1.00 0.00 N ATOM 465 CA LYS A 31 7.081 -11.457 6.359 1.00 0.00 C ATOM 466 C LYS A 31 8.386 -10.829 6.849 1.00 0.00 C ATOM 467 O LYS A 31 9.467 -11.182 6.379 1.00 0.00 O ATOM 468 CB LYS A 31 6.818 -11.046 4.908 1.00 0.00 C ATOM 469 CG LYS A 31 6.130 -12.124 4.087 1.00 0.00 C ATOM 470 CD LYS A 31 5.289 -11.523 2.972 1.00 0.00 C ATOM 471 CE LYS A 31 6.076 -11.419 1.675 1.00 0.00 C ATOM 472 NZ LYS A 31 5.793 -12.560 0.761 1.00 0.00 N ATOM 0 H LYS A 31 5.322 -10.395 6.777 1.00 0.00 H new ATOM 0 HA LYS A 31 7.181 -12.541 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.203 -10.146 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.765 -10.789 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.879 -12.791 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.497 -12.729 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.402 -12.136 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.943 -10.533 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.829 -10.483 1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.142 -11.389 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.349 -12.452 -0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.053 -13.452 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.780 -12.574 0.527 1.00 0.00 H new ATOM 486 N ARG A 32 8.279 -9.896 7.794 1.00 0.00 N ATOM 487 CA ARG A 32 9.452 -9.224 8.341 1.00 0.00 C ATOM 488 C ARG A 32 10.138 -8.375 7.276 1.00 0.00 C ATOM 489 O ARG A 32 11.363 -8.381 7.156 1.00 0.00 O ATOM 490 CB ARG A 32 10.437 -10.247 8.911 1.00 0.00 C ATOM 491 CG ARG A 32 9.803 -11.224 9.888 1.00 0.00 C ATOM 492 CD ARG A 32 9.783 -10.665 11.302 1.00 0.00 C ATOM 493 NE ARG A 32 10.847 -11.230 12.129 1.00 0.00 N ATOM 494 CZ ARG A 32 10.869 -11.158 13.458 1.00 0.00 C ATOM 495 NH1 ARG A 32 9.890 -10.547 14.114 1.00 0.00 N ATOM 496 NH2 ARG A 32 11.874 -11.700 14.133 1.00 0.00 N ATOM 0 H ARG A 32 7.392 -9.590 8.195 1.00 0.00 H new ATOM 0 HA ARG A 32 9.120 -8.567 9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.883 -10.806 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.247 -9.718 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.785 -11.449 9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.356 -12.163 9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.890 -9.581 11.265 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.817 -10.875 11.761 1.00 0.00 H new ATOM 0 HE ARG A 32 11.617 -11.707 11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.115 -10.129 13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.913 -10.495 15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.628 -12.171 13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.892 -11.646 15.151 1.00 0.00 H new ATOM 510 N ILE A 33 9.339 -7.644 6.506 1.00 0.00 N ATOM 511 CA ILE A 33 9.866 -6.789 5.454 1.00 0.00 C ATOM 512 C ILE A 33 10.230 -5.416 6.001 1.00 0.00 C ATOM 513 O ILE A 33 9.748 -5.004 7.056 1.00 0.00 O ATOM 514 CB ILE A 33 8.854 -6.620 4.304 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.336 -7.984 3.847 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.491 -5.874 3.141 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.351 -7.902 2.702 1.00 0.00 C ATOM 0 H ILE A 33 8.323 -7.628 6.593 1.00 0.00 H new ATOM 0 HA ILE A 33 10.762 -7.276 5.068 1.00 0.00 H new ATOM 0 HB ILE A 33 8.010 -6.034 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.181 -8.602 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.860 -8.484 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.763 -5.763 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.816 -4.889 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.351 -6.435 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.025 -8.906 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.488 -7.310 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.829 -7.430 1.844 1.00 0.00 H new ATOM 529 N GLN A 34 11.084 -4.714 5.273 1.00 0.00 N ATOM 530 CA GLN A 34 11.522 -3.382 5.672 1.00 0.00 C ATOM 531 C GLN A 34 10.820 -2.312 4.844 1.00 0.00 C ATOM 532 O GLN A 34 11.394 -1.264 4.547 1.00 0.00 O ATOM 533 CB GLN A 34 13.038 -3.251 5.517 1.00 0.00 C ATOM 534 CG GLN A 34 13.822 -4.284 6.312 1.00 0.00 C ATOM 535 CD GLN A 34 14.482 -5.323 5.427 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.672 -5.233 5.125 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.710 -6.318 5.005 1.00 0.00 N ATOM 0 H GLN A 34 11.490 -5.045 4.398 1.00 0.00 H new ATOM 0 HA GLN A 34 11.259 -3.238 6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.296 -3.344 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.343 -2.253 5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.585 -3.779 6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.152 -4.782 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.728 -6.354 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.099 -7.047 4.406 1.00 0.00 H new ATOM 546 N TYR A 35 9.575 -2.587 4.471 1.00 0.00 N ATOM 547 CA TYR A 35 8.789 -1.654 3.673 1.00 0.00 C ATOM 548 C TYR A 35 8.432 -0.407 4.478 1.00 0.00 C ATOM 549 O TYR A 35 8.370 -0.445 5.707 1.00 0.00 O ATOM 550 CB TYR A 35 7.515 -2.337 3.162 1.00 0.00 C ATOM 551 CG TYR A 35 6.456 -2.540 4.227 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.580 -3.546 5.178 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.333 -1.724 4.279 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.615 -3.731 6.150 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.365 -1.903 5.247 1.00 0.00 C ATOM 556 CZ TYR A 35 4.510 -2.907 6.180 1.00 0.00 C ATOM 557 OH TYR A 35 3.548 -3.088 7.147 1.00 0.00 O ATOM 0 H TYR A 35 9.088 -3.451 4.709 1.00 0.00 H new ATOM 0 HA TYR A 35 9.394 -1.345 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.093 -1.739 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.779 -3.305 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.444 -4.193 5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.215 -0.936 3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.726 -4.517 6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.498 -1.259 5.273 1.00 0.00 H new ATOM 0 HH TYR A 35 3.902 -3.663 7.857 1.00 0.00 H new ATOM 567 N GLN A 36 8.192 0.694 3.774 1.00 0.00 N ATOM 568 CA GLN A 36 7.834 1.951 4.416 1.00 0.00 C ATOM 569 C GLN A 36 6.326 2.035 4.613 1.00 0.00 C ATOM 570 O GLN A 36 5.583 1.164 4.161 1.00 0.00 O ATOM 571 CB GLN A 36 8.320 3.132 3.570 1.00 0.00 C ATOM 572 CG GLN A 36 8.841 4.304 4.387 1.00 0.00 C ATOM 573 CD GLN A 36 9.879 3.891 5.412 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.630 2.939 5.203 1.00 0.00 O ATOM 575 NE2 GLN A 36 9.924 4.608 6.529 1.00 0.00 N ATOM 0 H GLN A 36 8.239 0.740 2.756 1.00 0.00 H new ATOM 0 HA GLN A 36 8.317 1.993 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.110 2.787 2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.500 3.477 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.275 5.045 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.006 4.786 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.282 5.389 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.601 4.377 7.256 1.00 0.00 H new ATOM 584 N LEU A 37 5.876 3.085 5.287 1.00 0.00 N ATOM 585 CA LEU A 37 4.461 3.277 5.537 1.00 0.00 C ATOM 586 C LEU A 37 4.116 4.751 5.485 1.00 0.00 C ATOM 587 O LEU A 37 4.105 5.438 6.507 1.00 0.00 O ATOM 588 CB LEU A 37 4.080 2.696 6.892 1.00 0.00 C ATOM 589 CG LEU A 37 2.608 2.313 7.047 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.450 1.208 8.080 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.779 3.528 7.432 1.00 0.00 C ATOM 0 H LEU A 37 6.475 3.816 5.670 1.00 0.00 H new ATOM 0 HA LEU A 37 3.897 2.757 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.690 1.811 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.333 3.422 7.665 1.00 0.00 H new ATOM 0 HG LEU A 37 2.246 1.940 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.396 0.949 8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.012 0.330 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.829 1.553 9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.734 3.237 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.141 3.931 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.867 4.289 6.656 1.00 0.00 H new ATOM 603 N VAL A 38 3.835 5.231 4.287 1.00 0.00 N ATOM 604 CA VAL A 38 3.489 6.629 4.100 1.00 0.00 C ATOM 605 C VAL A 38 2.039 6.864 4.485 1.00 0.00 C ATOM 606 O VAL A 38 1.155 6.943 3.633 1.00 0.00 O ATOM 607 CB VAL A 38 3.716 7.086 2.646 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.198 7.298 2.378 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.127 6.081 1.666 1.00 0.00 C ATOM 0 H VAL A 38 3.839 4.676 3.431 1.00 0.00 H new ATOM 0 HA VAL A 38 4.143 7.216 4.745 1.00 0.00 H new ATOM 0 HB VAL A 38 3.204 8.037 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.339 7.620 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.584 8.062 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.735 6.364 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.299 6.424 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.604 5.111 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.055 5.987 1.841 1.00 0.00 H new ATOM 619 N ASP A 39 1.807 6.967 5.786 1.00 0.00 N ATOM 620 CA ASP A 39 0.463 7.183 6.309 1.00 0.00 C ATOM 621 C ASP A 39 0.057 8.647 6.179 1.00 0.00 C ATOM 622 O ASP A 39 0.694 9.534 6.748 1.00 0.00 O ATOM 623 CB ASP A 39 0.389 6.749 7.773 1.00 0.00 C ATOM 624 CG ASP A 39 -0.980 6.219 8.151 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.974 6.949 7.957 1.00 0.00 O ATOM 626 OD2 ASP A 39 -1.058 5.072 8.640 1.00 0.00 O ATOM 0 H ASP A 39 2.532 6.905 6.501 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.230 6.580 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.138 5.979 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.637 7.596 8.413 1.00 0.00 H new ATOM 631 N ILE A 40 -1.008 8.888 5.421 1.00 0.00 N ATOM 632 CA ILE A 40 -1.508 10.241 5.204 1.00 0.00 C ATOM 633 C ILE A 40 -2.235 10.780 6.434 1.00 0.00 C ATOM 634 O ILE A 40 -2.609 11.952 6.477 1.00 0.00 O ATOM 635 CB ILE A 40 -2.461 10.294 3.994 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.654 9.361 4.212 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.720 9.923 2.716 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.705 9.461 3.129 1.00 0.00 C ATOM 0 H ILE A 40 -1.543 8.161 4.945 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.637 10.867 5.008 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.834 11.313 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.296 8.333 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.112 9.589 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.408 9.965 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.902 10.624 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.320 8.913 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.521 8.772 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.091 10.480 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.262 9.204 2.167 1.00 0.00 H new ATOM 650 N SER A 41 -2.432 9.925 7.435 1.00 0.00 N ATOM 651 CA SER A 41 -3.112 10.330 8.659 1.00 0.00 C ATOM 652 C SER A 41 -2.135 10.989 9.628 1.00 0.00 C ATOM 653 O SER A 41 -1.956 10.530 10.757 1.00 0.00 O ATOM 654 CB SER A 41 -3.776 9.122 9.323 1.00 0.00 C ATOM 655 OG SER A 41 -4.615 8.435 8.410 1.00 0.00 O ATOM 0 H SER A 41 -2.131 8.951 7.421 1.00 0.00 H new ATOM 0 HA SER A 41 -3.881 11.056 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.010 8.444 9.699 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.361 9.451 10.182 1.00 0.00 H new ATOM 0 HG SER A 41 -5.209 7.831 8.903 1.00 0.00 H new ATOM 661 N GLN A 42 -1.503 12.067 9.176 1.00 0.00 N ATOM 662 CA GLN A 42 -0.541 12.790 9.999 1.00 0.00 C ATOM 663 C GLN A 42 -0.272 14.178 9.427 1.00 0.00 C ATOM 664 O GLN A 42 -0.458 15.188 10.106 1.00 0.00 O ATOM 665 CB GLN A 42 0.768 12.005 10.095 1.00 0.00 C ATOM 666 CG GLN A 42 1.648 12.427 11.261 1.00 0.00 C ATOM 667 CD GLN A 42 2.933 13.095 10.811 1.00 0.00 C ATOM 668 OE1 GLN A 42 2.915 14.019 9.998 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.059 12.628 11.339 1.00 0.00 N ATOM 0 H GLN A 42 -1.640 12.459 8.244 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.965 12.903 10.997 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.539 10.944 10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.325 12.130 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.092 13.112 11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.890 11.552 11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.028 11.860 12.010 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.955 13.037 11.074 1.00 0.00 H new ATOM 678 N ASP A 43 0.167 14.219 8.173 1.00 0.00 N ATOM 679 CA ASP A 43 0.461 15.482 7.508 1.00 0.00 C ATOM 680 C ASP A 43 -0.584 15.792 6.441 1.00 0.00 C ATOM 681 O ASP A 43 -0.845 14.975 5.558 1.00 0.00 O ATOM 682 CB ASP A 43 1.854 15.438 6.876 1.00 0.00 C ATOM 683 CG ASP A 43 2.474 16.816 6.746 1.00 0.00 C ATOM 684 OD1 ASP A 43 2.352 17.614 7.699 1.00 0.00 O ATOM 685 OD2 ASP A 43 3.081 17.096 5.691 1.00 0.00 O ATOM 0 H ASP A 43 0.327 13.392 7.598 1.00 0.00 H new ATOM 0 HA ASP A 43 0.434 16.273 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.504 14.806 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.788 14.978 5.890 1.00 0.00 H new ATOM 690 N ASN A 44 -1.179 16.977 6.530 1.00 0.00 N ATOM 691 CA ASN A 44 -2.196 17.396 5.572 1.00 0.00 C ATOM 692 C ASN A 44 -1.644 17.407 4.149 1.00 0.00 C ATOM 693 O ASN A 44 -2.402 17.365 3.180 1.00 0.00 O ATOM 694 CB ASN A 44 -2.724 18.785 5.936 1.00 0.00 C ATOM 695 CG ASN A 44 -3.866 18.728 6.931 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.009 17.757 7.674 1.00 0.00 O ATOM 697 ND2 ASN A 44 -4.688 19.771 6.949 1.00 0.00 N ATOM 0 H ASN A 44 -0.975 17.664 7.256 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.014 16.677 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.912 19.381 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.059 19.292 5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.476 19.788 7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.532 20.555 6.315 1.00 0.00 H new ATOM 704 N ALA A 45 -0.320 17.464 4.027 1.00 0.00 N ATOM 705 CA ALA A 45 0.326 17.481 2.719 1.00 0.00 C ATOM 706 C ALA A 45 0.438 16.078 2.126 1.00 0.00 C ATOM 707 O ALA A 45 0.956 15.906 1.024 1.00 0.00 O ATOM 708 CB ALA A 45 1.702 18.123 2.820 1.00 0.00 C ATOM 0 H ALA A 45 0.325 17.499 4.817 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.297 18.074 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.173 18.129 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.600 19.147 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.319 17.553 3.515 1.00 0.00 H new ATOM 714 N LEU A 46 -0.051 15.078 2.854 1.00 0.00 N ATOM 715 CA LEU A 46 -0.002 13.701 2.383 1.00 0.00 C ATOM 716 C LEU A 46 -1.301 13.328 1.675 1.00 0.00 C ATOM 717 O LEU A 46 -1.318 12.457 0.806 1.00 0.00 O ATOM 718 CB LEU A 46 0.249 12.747 3.551 1.00 0.00 C ATOM 719 CG LEU A 46 1.720 12.546 3.918 1.00 0.00 C ATOM 720 CD1 LEU A 46 1.857 12.167 5.384 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.350 11.484 3.030 1.00 0.00 C ATOM 0 H LEU A 46 -0.484 15.197 3.770 1.00 0.00 H new ATOM 0 HA LEU A 46 0.820 13.613 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.280 13.122 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.185 11.777 3.308 1.00 0.00 H new ATOM 0 HG LEU A 46 2.247 13.486 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.910 12.028 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.443 12.961 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.316 11.240 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.397 11.354 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.821 10.540 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.285 11.796 1.988 1.00 0.00 H new ATOM 733 N ARG A 47 -2.387 13.995 2.055 1.00 0.00 N ATOM 734 CA ARG A 47 -3.691 13.736 1.459 1.00 0.00 C ATOM 735 C ARG A 47 -3.788 14.342 0.062 1.00 0.00 C ATOM 736 O ARG A 47 -4.213 13.678 -0.884 1.00 0.00 O ATOM 737 CB ARG A 47 -4.801 14.299 2.348 1.00 0.00 C ATOM 738 CG ARG A 47 -5.290 13.320 3.404 1.00 0.00 C ATOM 739 CD ARG A 47 -4.643 13.587 4.754 1.00 0.00 C ATOM 740 NE ARG A 47 -5.263 12.808 5.823 1.00 0.00 N ATOM 741 CZ ARG A 47 -6.491 13.031 6.287 1.00 0.00 C ATOM 742 NH1 ARG A 47 -7.231 14.010 5.780 1.00 0.00 N ATOM 743 NH2 ARG A 47 -6.979 12.275 7.260 1.00 0.00 N ATOM 0 H ARG A 47 -2.388 14.719 2.773 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.812 12.656 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.438 15.201 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.642 14.595 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.373 13.395 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.067 12.301 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.581 13.348 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.719 14.649 4.989 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.723 12.049 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.859 14.595 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.171 14.177 6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.414 11.522 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.920 12.446 7.616 1.00 0.00 H new ATOM 757 N ASP A 48 -3.394 15.607 -0.063 1.00 0.00 N ATOM 758 CA ASP A 48 -3.446 16.293 -1.351 1.00 0.00 C ATOM 759 C ASP A 48 -2.232 15.970 -2.213 1.00 0.00 C ATOM 760 O ASP A 48 -2.109 16.448 -3.341 1.00 0.00 O ATOM 761 CB ASP A 48 -3.565 17.804 -1.151 1.00 0.00 C ATOM 762 CG ASP A 48 -4.556 18.438 -2.107 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.579 17.791 -2.417 1.00 0.00 O ATOM 764 OD2 ASP A 48 -4.309 19.580 -2.547 1.00 0.00 O ATOM 0 H ASP A 48 -3.038 16.174 0.706 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.331 15.933 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.872 18.009 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.586 18.264 -1.289 1.00 0.00 H new ATOM 769 N GLU A 49 -1.354 15.147 -1.677 1.00 0.00 N ATOM 770 CA GLU A 49 -0.151 14.733 -2.390 1.00 0.00 C ATOM 771 C GLU A 49 -0.339 13.340 -2.985 1.00 0.00 C ATOM 772 O GLU A 49 0.251 13.006 -4.012 1.00 0.00 O ATOM 773 CB GLU A 49 1.060 14.750 -1.453 1.00 0.00 C ATOM 774 CG GLU A 49 2.334 14.213 -2.088 1.00 0.00 C ATOM 775 CD GLU A 49 2.898 15.147 -3.141 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.137 15.995 -3.652 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.102 15.030 -3.454 1.00 0.00 O ATOM 0 H GLU A 49 -1.447 14.746 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 49 0.028 15.438 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.235 15.773 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.830 14.159 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.082 14.052 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.129 13.243 -2.540 1.00 0.00 H new ATOM 784 N MET A 50 -1.169 12.535 -2.328 1.00 0.00 N ATOM 785 CA MET A 50 -1.442 11.177 -2.784 1.00 0.00 C ATOM 786 C MET A 50 -2.541 11.172 -3.842 1.00 0.00 C ATOM 787 O MET A 50 -2.516 10.368 -4.774 1.00 0.00 O ATOM 788 CB MET A 50 -1.852 10.295 -1.603 1.00 0.00 C ATOM 789 CG MET A 50 -1.597 8.814 -1.830 1.00 0.00 C ATOM 790 SD MET A 50 -2.841 8.050 -2.888 1.00 0.00 S ATOM 791 CE MET A 50 -4.217 7.913 -1.749 1.00 0.00 C ATOM 0 H MET A 50 -1.665 12.801 -1.477 1.00 0.00 H new ATOM 0 HA MET A 50 -0.531 10.777 -3.229 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.308 10.616 -0.715 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.912 10.445 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.613 8.683 -2.280 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.578 8.301 -0.869 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.970 7.244 -2.167 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.864 7.513 -0.798 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.656 8.898 -1.588 1.00 0.00 H new ATOM 801 N ARG A 51 -3.503 12.077 -3.691 1.00 0.00 N ATOM 802 CA ARG A 51 -4.611 12.177 -4.634 1.00 0.00 C ATOM 803 C ARG A 51 -4.102 12.480 -6.041 1.00 0.00 C ATOM 804 O ARG A 51 -4.662 12.006 -7.029 1.00 0.00 O ATOM 805 CB ARG A 51 -5.592 13.264 -4.186 1.00 0.00 C ATOM 806 CG ARG A 51 -6.845 12.716 -3.523 1.00 0.00 C ATOM 807 CD ARG A 51 -6.537 12.109 -2.164 1.00 0.00 C ATOM 808 NE ARG A 51 -7.700 11.439 -1.587 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.124 10.235 -1.963 1.00 0.00 C ATOM 810 NH1 ARG A 51 -7.486 9.565 -2.914 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.191 9.698 -1.386 1.00 0.00 N ATOM 0 H ARG A 51 -3.538 12.751 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.128 11.218 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.086 13.934 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.880 13.861 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.576 13.516 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.297 11.961 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.719 11.395 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.196 12.892 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.217 11.922 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.665 9.972 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.816 8.643 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.686 10.208 -0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.516 8.775 -1.674 1.00 0.00 H new ATOM 825 N ALA A 52 -3.037 13.271 -6.123 1.00 0.00 N ATOM 826 CA ALA A 52 -2.453 13.636 -7.408 1.00 0.00 C ATOM 827 C ALA A 52 -1.476 12.569 -7.889 1.00 0.00 C ATOM 828 O ALA A 52 -1.547 12.116 -9.031 1.00 0.00 O ATOM 829 CB ALA A 52 -1.758 14.985 -7.307 1.00 0.00 C ATOM 0 H ALA A 52 -2.561 13.671 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.259 13.709 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.326 15.245 -8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.482 15.746 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.967 14.932 -6.559 1.00 0.00 H new ATOM 835 N LEU A 53 -0.562 12.172 -7.009 1.00 0.00 N ATOM 836 CA LEU A 53 0.432 11.157 -7.341 1.00 0.00 C ATOM 837 C LEU A 53 -0.238 9.851 -7.758 1.00 0.00 C ATOM 838 O LEU A 53 0.319 9.077 -8.538 1.00 0.00 O ATOM 839 CB LEU A 53 1.358 10.912 -6.147 1.00 0.00 C ATOM 840 CG LEU A 53 2.706 11.634 -6.212 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.585 11.025 -7.293 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.503 13.121 -6.461 1.00 0.00 C ATOM 0 H LEU A 53 -0.489 12.538 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 53 1.022 11.523 -8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.842 11.220 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.541 9.841 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 53 3.209 11.513 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.539 11.551 -7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.758 9.972 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.089 11.115 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.472 13.618 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.980 13.263 -7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.912 13.548 -5.651 1.00 0.00 H new ATOM 854 N ALA A 54 -1.434 9.610 -7.231 1.00 0.00 N ATOM 855 CA ALA A 54 -2.178 8.396 -7.546 1.00 0.00 C ATOM 856 C ALA A 54 -3.039 8.571 -8.795 1.00 0.00 C ATOM 857 O ALA A 54 -3.580 7.599 -9.323 1.00 0.00 O ATOM 858 CB ALA A 54 -3.043 7.990 -6.363 1.00 0.00 C ATOM 0 H ALA A 54 -1.909 10.239 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.455 7.606 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.594 7.082 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.409 7.806 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.746 8.791 -6.135 1.00 0.00 H new ATOM 864 N GLY A 55 -3.170 9.810 -9.265 1.00 0.00 N ATOM 865 CA GLY A 55 -3.975 10.070 -10.445 1.00 0.00 C ATOM 866 C GLY A 55 -5.389 9.547 -10.296 1.00 0.00 C ATOM 867 O GLY A 55 -5.904 8.863 -11.181 1.00 0.00 O ATOM 0 H GLY A 55 -2.735 10.634 -8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.004 11.143 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.507 9.605 -11.313 1.00 0.00 H new ATOM 871 N ASN A 56 -6.013 9.867 -9.168 1.00 0.00 N ATOM 872 CA ASN A 56 -7.372 9.429 -8.886 1.00 0.00 C ATOM 873 C ASN A 56 -7.815 9.948 -7.539 1.00 0.00 C ATOM 874 O ASN A 56 -7.248 9.599 -6.503 1.00 0.00 O ATOM 875 CB ASN A 56 -7.473 7.902 -8.923 1.00 0.00 C ATOM 876 CG ASN A 56 -8.888 7.409 -8.688 1.00 0.00 C ATOM 877 OD1 ASN A 56 -9.786 7.658 -9.492 1.00 0.00 O ATOM 878 ND2 ASN A 56 -9.092 6.705 -7.580 1.00 0.00 N ATOM 0 H ASN A 56 -5.594 10.433 -8.430 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.029 9.832 -9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.121 7.541 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.813 7.479 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.023 6.347 -7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.318 6.523 -6.942 1.00 0.00 H new ATOM 885 N PRO A 57 -8.834 10.808 -7.542 1.00 0.00 N ATOM 886 CA PRO A 57 -9.361 11.406 -6.336 1.00 0.00 C ATOM 887 C PRO A 57 -10.420 10.538 -5.664 1.00 0.00 C ATOM 888 O PRO A 57 -11.270 11.034 -4.924 1.00 0.00 O ATOM 889 CB PRO A 57 -9.965 12.719 -6.842 1.00 0.00 C ATOM 890 CG PRO A 57 -9.875 12.698 -8.336 1.00 0.00 C ATOM 891 CD PRO A 57 -9.551 11.293 -8.723 1.00 0.00 C ATOM 0 HA PRO A 57 -8.596 11.538 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.002 12.815 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.424 13.574 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.815 13.017 -8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.105 13.384 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.449 10.708 -8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.934 11.249 -9.621 1.00 0.00 H new ATOM 899 N LYS A 58 -10.351 9.238 -5.918 1.00 0.00 N ATOM 900 CA LYS A 58 -11.287 8.286 -5.334 1.00 0.00 C ATOM 901 C LYS A 58 -10.542 7.122 -4.679 1.00 0.00 C ATOM 902 O LYS A 58 -11.160 6.200 -4.146 1.00 0.00 O ATOM 903 CB LYS A 58 -12.244 7.756 -6.404 1.00 0.00 C ATOM 904 CG LYS A 58 -13.512 8.582 -6.548 1.00 0.00 C ATOM 905 CD LYS A 58 -14.718 7.705 -6.848 1.00 0.00 C ATOM 906 CE LYS A 58 -15.932 8.538 -7.226 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.190 7.972 -6.667 1.00 0.00 N ATOM 0 H LYS A 58 -9.651 8.816 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.862 8.804 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.726 7.730 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.515 6.729 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.688 9.143 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.383 9.311 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.478 7.020 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.951 7.095 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.800 9.557 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.010 8.594 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.994 8.569 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.330 7.009 -7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.126 7.942 -5.629 1.00 0.00 H new ATOM 921 N ALA A 59 -9.210 7.171 -4.721 1.00 0.00 N ATOM 922 CA ALA A 59 -8.383 6.125 -4.132 1.00 0.00 C ATOM 923 C ALA A 59 -8.683 5.953 -2.646 1.00 0.00 C ATOM 924 O ALA A 59 -9.689 6.453 -2.142 1.00 0.00 O ATOM 925 CB ALA A 59 -6.910 6.445 -4.341 1.00 0.00 C ATOM 0 H ALA A 59 -8.683 7.927 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.618 5.185 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.300 5.658 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.700 6.509 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.674 7.398 -3.867 1.00 0.00 H new ATOM 931 N THR A 60 -7.801 5.242 -1.953 1.00 0.00 N ATOM 932 CA THR A 60 -7.961 4.997 -0.526 1.00 0.00 C ATOM 933 C THR A 60 -6.598 4.990 0.165 1.00 0.00 C ATOM 934 O THR A 60 -5.565 5.002 -0.499 1.00 0.00 O ATOM 935 CB THR A 60 -8.679 3.665 -0.298 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.810 2.576 -0.552 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.901 3.489 -1.173 1.00 0.00 C ATOM 0 H THR A 60 -6.964 4.824 -2.359 1.00 0.00 H new ATOM 0 HA THR A 60 -8.564 5.797 -0.097 1.00 0.00 H new ATOM 0 HB THR A 60 -8.996 3.682 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.279 2.762 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.364 2.525 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.614 4.287 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.606 3.528 -2.222 1.00 0.00 H new ATOM 945 N PRO A 61 -6.573 4.982 1.508 1.00 0.00 N ATOM 946 CA PRO A 61 -5.318 4.982 2.268 1.00 0.00 C ATOM 947 C PRO A 61 -4.375 3.842 1.873 1.00 0.00 C ATOM 948 O PRO A 61 -3.189 4.070 1.642 1.00 0.00 O ATOM 949 CB PRO A 61 -5.776 4.822 3.721 1.00 0.00 C ATOM 950 CG PRO A 61 -7.178 5.323 3.737 1.00 0.00 C ATOM 951 CD PRO A 61 -7.754 4.984 2.391 1.00 0.00 C ATOM 0 HA PRO A 61 -4.743 5.889 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.725 3.781 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.144 5.394 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.751 4.853 4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.206 6.398 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.252 4.014 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.493 5.719 2.073 1.00 0.00 H new ATOM 959 N PRO A 62 -4.878 2.594 1.797 1.00 0.00 N ATOM 960 CA PRO A 62 -4.050 1.434 1.440 1.00 0.00 C ATOM 961 C PRO A 62 -3.646 1.411 -0.034 1.00 0.00 C ATOM 962 O PRO A 62 -4.379 0.899 -0.880 1.00 0.00 O ATOM 963 CB PRO A 62 -4.952 0.243 1.763 1.00 0.00 C ATOM 964 CG PRO A 62 -6.337 0.770 1.630 1.00 0.00 C ATOM 965 CD PRO A 62 -6.279 2.210 2.063 1.00 0.00 C ATOM 0 HA PRO A 62 -3.104 1.439 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.776 -0.585 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.766 -0.133 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.689 0.686 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.031 0.204 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.978 2.827 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.533 2.323 3.117 1.00 0.00 H new ATOM 973 N GLN A 63 -2.468 1.955 -0.329 1.00 0.00 N ATOM 974 CA GLN A 63 -1.952 1.987 -1.696 1.00 0.00 C ATOM 975 C GLN A 63 -0.432 1.854 -1.696 1.00 0.00 C ATOM 976 O GLN A 63 0.244 2.372 -0.808 1.00 0.00 O ATOM 977 CB GLN A 63 -2.361 3.282 -2.405 1.00 0.00 C ATOM 978 CG GLN A 63 -3.750 3.778 -2.033 1.00 0.00 C ATOM 979 CD GLN A 63 -4.862 2.973 -2.680 1.00 0.00 C ATOM 980 OE1 GLN A 63 -5.792 2.527 -2.009 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.778 2.789 -3.993 1.00 0.00 N ATOM 0 H GLN A 63 -1.851 2.381 0.362 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.383 1.144 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.634 4.059 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.319 3.123 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.865 3.740 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.847 4.823 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.990 3.176 -4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.501 2.261 -4.481 1.00 0.00 H new ATOM 990 N ILE A 64 0.098 1.154 -2.693 1.00 0.00 N ATOM 991 CA ILE A 64 1.539 0.950 -2.800 1.00 0.00 C ATOM 992 C ILE A 64 2.175 1.964 -3.746 1.00 0.00 C ATOM 993 O ILE A 64 1.581 2.348 -4.754 1.00 0.00 O ATOM 994 CB ILE A 64 1.871 -0.472 -3.293 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.055 -1.508 -2.518 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.360 -0.747 -3.151 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.279 -1.828 -3.158 1.00 0.00 C ATOM 0 H ILE A 64 -0.447 0.719 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 64 1.949 1.087 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 64 1.607 -0.546 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.637 -2.426 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.885 -1.141 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.579 -1.755 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.921 -0.025 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.648 -0.658 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.803 -2.569 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.880 -0.921 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.116 -2.225 -4.160 1.00 0.00 H new ATOM 1009 N VAL A 65 3.390 2.389 -3.415 1.00 0.00 N ATOM 1010 CA VAL A 65 4.116 3.354 -4.232 1.00 0.00 C ATOM 1011 C VAL A 65 5.607 3.034 -4.248 1.00 0.00 C ATOM 1012 O VAL A 65 6.184 2.661 -3.226 1.00 0.00 O ATOM 1013 CB VAL A 65 3.903 4.794 -3.719 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.707 5.795 -4.539 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.423 5.147 -3.738 1.00 0.00 C ATOM 0 H VAL A 65 3.894 2.079 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 65 3.723 3.284 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 65 4.260 4.845 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.537 6.801 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.768 5.554 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.392 5.747 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.287 6.165 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.044 5.073 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.876 4.456 -3.096 1.00 0.00 H new ATOM 1025 N ASN A 66 6.224 3.177 -5.415 1.00 0.00 N ATOM 1026 CA ASN A 66 7.647 2.900 -5.568 1.00 0.00 C ATOM 1027 C ASN A 66 8.467 4.184 -5.486 1.00 0.00 C ATOM 1028 O ASN A 66 9.395 4.391 -6.268 1.00 0.00 O ATOM 1029 CB ASN A 66 7.908 2.193 -6.900 1.00 0.00 C ATOM 1030 CG ASN A 66 8.866 1.026 -6.757 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.982 1.057 -7.274 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.432 -0.014 -6.053 1.00 0.00 N ATOM 0 H ASN A 66 5.760 3.484 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 66 7.955 2.247 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.963 1.836 -7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.315 2.908 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.032 -0.829 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.499 0.002 -5.641 1.00 0.00 H new ATOM 1039 N GLY A 67 8.120 5.042 -4.533 1.00 0.00 N ATOM 1040 CA GLY A 67 8.835 6.294 -4.366 1.00 0.00 C ATOM 1041 C GLY A 67 8.003 7.497 -4.764 1.00 0.00 C ATOM 1042 O GLY A 67 7.502 8.224 -3.906 1.00 0.00 O ATOM 0 H GLY A 67 7.357 4.893 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.142 6.397 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.745 6.271 -4.966 1.00 0.00 H new ATOM 1046 N ASP A 68 7.857 7.709 -6.068 1.00 0.00 N ATOM 1047 CA ASP A 68 7.082 8.835 -6.576 1.00 0.00 C ATOM 1048 C ASP A 68 6.210 8.412 -7.754 1.00 0.00 C ATOM 1049 O ASP A 68 6.040 9.165 -8.714 1.00 0.00 O ATOM 1050 CB ASP A 68 8.014 9.972 -6.999 1.00 0.00 C ATOM 1051 CG ASP A 68 9.137 9.495 -7.899 1.00 0.00 C ATOM 1052 OD1 ASP A 68 8.842 8.816 -8.906 1.00 0.00 O ATOM 1053 OD2 ASP A 68 10.310 9.799 -7.598 1.00 0.00 O ATOM 0 H ASP A 68 8.265 7.117 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 68 6.431 9.185 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.437 10.737 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.438 10.440 -6.111 1.00 0.00 H new ATOM 1058 N GLN A 69 5.658 7.206 -7.675 1.00 0.00 N ATOM 1059 CA GLN A 69 4.803 6.689 -8.735 1.00 0.00 C ATOM 1060 C GLN A 69 3.763 5.733 -8.165 1.00 0.00 C ATOM 1061 O GLN A 69 3.903 5.241 -7.047 1.00 0.00 O ATOM 1062 CB GLN A 69 5.643 5.978 -9.798 1.00 0.00 C ATOM 1063 CG GLN A 69 5.607 6.658 -11.156 1.00 0.00 C ATOM 1064 CD GLN A 69 6.506 5.980 -12.172 1.00 0.00 C ATOM 1065 OE1 GLN A 69 6.550 4.752 -12.257 1.00 0.00 O ATOM 1066 NE2 GLN A 69 7.229 6.778 -12.949 1.00 0.00 N ATOM 0 H GLN A 69 5.788 6.570 -6.889 1.00 0.00 H new ATOM 0 HA GLN A 69 4.287 7.529 -9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.676 5.923 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.288 4.953 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.583 6.663 -11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.911 7.699 -11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.161 7.790 -12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.852 6.379 -13.651 1.00 0.00 H new ATOM 1075 N TYR A 70 2.720 5.472 -8.941 1.00 0.00 N ATOM 1076 CA TYR A 70 1.660 4.573 -8.508 1.00 0.00 C ATOM 1077 C TYR A 70 2.076 3.119 -8.690 1.00 0.00 C ATOM 1078 O TYR A 70 2.069 2.594 -9.804 1.00 0.00 O ATOM 1079 CB TYR A 70 0.374 4.853 -9.287 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.885 4.688 -8.465 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.957 5.167 -7.162 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.002 4.053 -8.993 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.106 5.017 -6.410 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.155 3.900 -8.247 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.202 4.383 -6.956 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.348 4.232 -6.210 1.00 0.00 O ATOM 0 H TYR A 70 2.586 5.869 -9.871 1.00 0.00 H new ATOM 0 HA TYR A 70 1.476 4.749 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.411 5.870 -9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.327 4.183 -10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.101 5.664 -6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.969 3.673 -10.003 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.146 5.395 -5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.015 3.405 -8.673 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.730 3.345 -6.374 1.00 0.00 H new ATOM 1096 N CYS A 71 2.443 2.474 -7.588 1.00 0.00 N ATOM 1097 CA CYS A 71 2.869 1.080 -7.625 1.00 0.00 C ATOM 1098 C CYS A 71 1.667 0.142 -7.692 1.00 0.00 C ATOM 1099 O CYS A 71 1.598 -0.727 -8.560 1.00 0.00 O ATOM 1100 CB CYS A 71 3.719 0.752 -6.397 1.00 0.00 C ATOM 1101 SG CYS A 71 4.841 -0.646 -6.628 1.00 0.00 S ATOM 0 H CYS A 71 2.454 2.894 -6.659 1.00 0.00 H new ATOM 0 HA CYS A 71 3.469 0.935 -8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.303 1.632 -6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.058 0.538 -5.557 1.00 0.00 H new ATOM 0 HG CYS A 71 5.518 -0.844 -5.536 1.00 0.00 H new ATOM 1107 N GLY A 72 0.722 0.322 -6.773 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.457 -0.522 -6.759 1.00 0.00 C ATOM 1109 C GLY A 72 -1.425 -0.157 -5.653 1.00 0.00 C ATOM 1110 O GLY A 72 -1.338 0.924 -5.071 1.00 0.00 O ATOM 0 H GLY A 72 0.752 1.033 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.965 -0.445 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.153 -1.562 -6.641 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.350 -1.066 -5.364 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.344 -0.843 -4.322 1.00 0.00 C ATOM 1116 C ASP A 73 -3.555 -2.111 -3.500 1.00 0.00 C ATOM 1117 O ASP A 73 -2.763 -3.050 -3.576 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.672 -0.394 -4.939 1.00 0.00 C ATOM 1119 CG ASP A 73 -4.486 0.628 -6.045 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -3.602 1.499 -5.906 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.224 0.555 -7.050 1.00 0.00 O ATOM 0 H ASP A 73 -2.432 -1.965 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.976 -0.057 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.196 -1.263 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.305 0.031 -4.160 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.626 -2.131 -2.715 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.939 -3.285 -1.880 1.00 0.00 C ATOM 1128 C TYR A 74 -5.372 -4.475 -2.733 1.00 0.00 C ATOM 1129 O TYR A 74 -4.892 -5.592 -2.547 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.041 -2.930 -0.877 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.504 -4.102 -0.040 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.363 -5.059 -0.567 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.081 -4.253 1.274 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -7.789 -6.131 0.194 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.501 -5.323 2.041 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.355 -6.259 1.496 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.776 -7.325 2.257 1.00 0.00 O ATOM 0 H TYR A 74 -5.292 -1.362 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.037 -3.564 -1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.678 -2.144 -0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.895 -2.522 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.703 -4.963 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.412 -3.522 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.459 -6.865 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.162 -5.426 3.061 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.946 -8.095 1.675 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.286 -4.226 -3.666 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.791 -5.267 -4.544 1.00 0.00 C ATOM 1149 C GLU A 75 -5.662 -5.937 -5.323 1.00 0.00 C ATOM 1150 O GLU A 75 -5.568 -7.163 -5.365 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.812 -4.667 -5.507 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.059 -5.513 -5.674 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.192 -6.093 -7.068 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -9.326 -5.305 -8.029 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.163 -7.334 -7.200 1.00 0.00 O ATOM 0 H GLU A 75 -6.692 -3.305 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.268 -6.032 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.099 -3.678 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.343 -4.530 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.042 -6.325 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.937 -4.906 -5.453 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.811 -5.126 -5.942 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.692 -5.640 -6.727 1.00 0.00 C ATOM 1164 C LEU A 76 -2.805 -6.560 -5.891 1.00 0.00 C ATOM 1165 O LEU A 76 -2.731 -7.763 -6.141 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.858 -4.485 -7.281 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.592 -3.566 -8.259 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.155 -2.352 -7.534 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.661 -3.135 -9.383 1.00 0.00 C ATOM 0 H LEU A 76 -4.874 -4.108 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.104 -6.218 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.495 -3.886 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.982 -4.897 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.424 -4.120 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.673 -1.711 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.855 -2.680 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.341 -1.795 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.198 -2.482 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.809 -2.599 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.308 -4.015 -9.920 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.131 -5.981 -4.902 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.240 -6.740 -4.026 1.00 0.00 C ATOM 1183 C PHE A 77 -1.900 -8.033 -3.546 1.00 0.00 C ATOM 1184 O PHE A 77 -1.332 -9.118 -3.679 1.00 0.00 O ATOM 1185 CB PHE A 77 -0.830 -5.879 -2.826 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.048 -6.625 -1.780 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.693 -7.445 -0.868 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.331 -6.505 -1.708 1.00 0.00 C ATOM 1189 CE1 PHE A 77 0.022 -8.132 0.095 1.00 0.00 C ATOM 1190 CE2 PHE A 77 2.051 -7.189 -0.747 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.396 -8.004 0.155 1.00 0.00 C ATOM 0 H PHE A 77 -2.184 -4.986 -4.685 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.352 -7.010 -4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.234 -5.039 -3.181 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.727 -5.462 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.767 -7.549 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.849 -5.870 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.493 -8.768 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.125 -7.086 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.957 -8.540 0.906 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.099 -7.909 -2.986 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.832 -9.067 -2.484 1.00 0.00 C ATOM 1203 C VAL A 78 -4.228 -10.008 -3.617 1.00 0.00 C ATOM 1204 O VAL A 78 -4.274 -11.225 -3.437 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.099 -8.641 -1.717 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.764 -9.847 -1.070 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.765 -7.585 -0.674 1.00 0.00 C ATOM 0 H VAL A 78 -3.584 -7.019 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.162 -9.591 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.801 -8.206 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.657 -9.526 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.043 -10.566 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.069 -10.315 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.673 -7.298 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.043 -7.990 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.340 -6.710 -1.165 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.517 -9.439 -4.783 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.913 -10.232 -5.944 1.00 0.00 C ATOM 1219 C GLU A 79 -3.719 -10.968 -6.552 1.00 0.00 C ATOM 1220 O GLU A 79 -3.883 -11.786 -7.458 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.561 -9.338 -7.003 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.001 -10.092 -8.248 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.425 -9.768 -8.655 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -8.332 -9.914 -7.808 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.633 -9.369 -9.820 1.00 0.00 O ATOM 0 H GLU A 79 -4.485 -8.433 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.636 -10.974 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.426 -8.839 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.855 -8.559 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.328 -9.850 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.913 -11.164 -8.069 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.519 -10.673 -6.061 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.311 -11.308 -6.572 1.00 0.00 C ATOM 1234 C ALA A 80 -0.904 -12.508 -5.721 1.00 0.00 C ATOM 1235 O ALA A 80 -0.785 -13.624 -6.226 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.180 -10.293 -6.639 1.00 0.00 C ATOM 0 H ALA A 80 -2.358 -10.000 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.522 -11.676 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.719 -10.775 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.464 -9.475 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.016 -9.900 -5.641 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.689 -12.275 -4.429 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.292 -13.344 -3.513 1.00 0.00 C ATOM 1244 C VAL A 81 -1.236 -14.541 -3.618 1.00 0.00 C ATOM 1245 O VAL A 81 -0.834 -15.686 -3.412 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.268 -12.857 -2.050 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.258 -13.949 -1.130 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.569 -11.593 -1.914 1.00 0.00 C ATOM 0 H VAL A 81 -0.782 -11.358 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 81 0.713 -13.647 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.290 -12.621 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.267 -13.586 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.387 -14.825 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.271 -14.219 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.571 -11.268 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.591 -11.797 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.145 -10.807 -2.539 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.494 -14.258 -3.932 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.514 -15.296 -4.060 1.00 0.00 C ATOM 1260 C GLU A 82 -3.128 -16.346 -5.100 1.00 0.00 C ATOM 1261 O GLU A 82 -3.223 -17.547 -4.845 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.853 -14.666 -4.442 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.728 -13.555 -5.472 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.616 -13.775 -6.682 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.387 -14.760 -7.415 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.540 -12.963 -6.895 1.00 0.00 O ATOM 0 H GLU A 82 -2.836 -13.312 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.600 -15.794 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.512 -15.441 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.327 -14.268 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.984 -12.603 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.690 -13.482 -5.797 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.699 -15.890 -6.272 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.307 -16.793 -7.347 1.00 0.00 C ATOM 1275 C GLN A 83 -0.791 -16.933 -7.412 1.00 0.00 C ATOM 1276 O GLN A 83 -0.249 -17.509 -8.356 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.840 -16.278 -8.686 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.435 -17.366 -9.564 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.087 -17.189 -11.029 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -2.505 -16.178 -11.422 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -3.444 -18.173 -11.845 1.00 0.00 N ATOM 0 H GLN A 83 -2.614 -14.900 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.736 -17.774 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.600 -15.519 -8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.029 -15.790 -9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.077 -18.338 -9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.519 -17.368 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.925 -18.993 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.237 -18.109 -12.842 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.111 -16.388 -6.410 1.00 0.00 N ATOM 1291 CA ASN A 84 1.340 -16.429 -6.349 1.00 0.00 C ATOM 1292 C ASN A 84 1.936 -15.431 -7.332 1.00 0.00 C ATOM 1293 O ASN A 84 3.100 -15.537 -7.716 1.00 0.00 O ATOM 1294 CB ASN A 84 1.863 -17.838 -6.639 1.00 0.00 C ATOM 1295 CG ASN A 84 3.052 -18.203 -5.772 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.605 -17.357 -5.069 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.452 -19.468 -5.817 1.00 0.00 N ATOM 0 H ASN A 84 -0.549 -15.909 -5.623 1.00 0.00 H new ATOM 0 HA ASN A 84 1.646 -16.156 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.063 -18.560 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.147 -17.908 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.247 -19.772 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.964 -20.136 -6.414 1.00 0.00 H new ATOM 1304 N THR A 85 1.124 -14.456 -7.728 1.00 0.00 N ATOM 1305 CA THR A 85 1.561 -13.429 -8.658 1.00 0.00 C ATOM 1306 C THR A 85 2.320 -12.327 -7.925 1.00 0.00 C ATOM 1307 O THR A 85 3.053 -11.555 -8.542 1.00 0.00 O ATOM 1308 CB THR A 85 0.363 -12.836 -9.400 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.703 -13.768 -9.455 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.683 -12.420 -10.819 1.00 0.00 C ATOM 0 H THR A 85 0.158 -14.358 -7.416 1.00 0.00 H new ATOM 0 HA THR A 85 2.231 -13.890 -9.384 1.00 0.00 H new ATOM 0 HB THR A 85 0.083 -11.948 -8.834 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.461 -13.370 -9.932 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.211 -12.008 -11.288 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.469 -11.664 -10.808 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.022 -13.288 -11.385 1.00 0.00 H new ATOM 1318 N LEU A 86 2.129 -12.261 -6.603 1.00 0.00 N ATOM 1319 CA LEU A 86 2.784 -11.258 -5.761 1.00 0.00 C ATOM 1320 C LEU A 86 4.163 -10.871 -6.294 1.00 0.00 C ATOM 1321 O LEU A 86 4.535 -9.697 -6.276 1.00 0.00 O ATOM 1322 CB LEU A 86 2.914 -11.783 -4.332 1.00 0.00 C ATOM 1323 CG LEU A 86 3.587 -10.822 -3.353 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.662 -9.660 -3.021 1.00 0.00 C ATOM 1325 CD2 LEU A 86 4.005 -11.557 -2.087 1.00 0.00 C ATOM 0 H LEU A 86 1.519 -12.898 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 86 2.161 -10.364 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.919 -12.023 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.481 -12.714 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 86 4.482 -10.419 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.159 -8.987 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.416 -9.118 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.747 -10.041 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.483 -10.857 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.125 -11.990 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.707 -12.351 -2.342 1.00 0.00 H new ATOM 1337 N GLN A 87 4.918 -11.858 -6.771 1.00 0.00 N ATOM 1338 CA GLN A 87 6.250 -11.600 -7.309 1.00 0.00 C ATOM 1339 C GLN A 87 6.184 -10.561 -8.422 1.00 0.00 C ATOM 1340 O GLN A 87 6.853 -9.531 -8.362 1.00 0.00 O ATOM 1341 CB GLN A 87 6.881 -12.891 -7.837 1.00 0.00 C ATOM 1342 CG GLN A 87 8.129 -12.655 -8.676 1.00 0.00 C ATOM 1343 CD GLN A 87 8.879 -13.937 -8.982 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.300 -14.907 -9.469 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.176 -13.947 -8.695 1.00 0.00 N ATOM 0 H GLN A 87 4.632 -12.837 -6.796 1.00 0.00 H new ATOM 0 HA GLN A 87 6.872 -11.213 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.135 -13.534 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.145 -13.427 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.847 -12.172 -9.611 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.791 -11.968 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.616 -13.120 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.732 -14.782 -8.878 1.00 0.00 H new ATOM 1354 N GLU A 88 5.365 -10.837 -9.434 1.00 0.00 N ATOM 1355 CA GLU A 88 5.202 -9.924 -10.563 1.00 0.00 C ATOM 1356 C GLU A 88 5.000 -8.488 -10.082 1.00 0.00 C ATOM 1357 O GLU A 88 5.297 -7.536 -10.802 1.00 0.00 O ATOM 1358 CB GLU A 88 4.014 -10.355 -11.425 1.00 0.00 C ATOM 1359 CG GLU A 88 4.185 -10.032 -12.900 1.00 0.00 C ATOM 1360 CD GLU A 88 3.699 -11.151 -13.801 1.00 0.00 C ATOM 1361 OE1 GLU A 88 4.236 -12.273 -13.697 1.00 0.00 O ATOM 1362 OE2 GLU A 88 2.780 -10.904 -14.611 1.00 0.00 O ATOM 0 H GLU A 88 4.803 -11.686 -9.496 1.00 0.00 H new ATOM 0 HA GLU A 88 6.112 -9.962 -11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.864 -11.429 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.112 -9.866 -11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.638 -9.118 -13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.237 -9.836 -13.106 1.00 0.00 H new ATOM 1369 N PHE A 89 4.492 -8.344 -8.862 1.00 0.00 N ATOM 1370 CA PHE A 89 4.250 -7.031 -8.282 1.00 0.00 C ATOM 1371 C PHE A 89 5.365 -6.641 -7.312 1.00 0.00 C ATOM 1372 O PHE A 89 5.586 -5.459 -7.052 1.00 0.00 O ATOM 1373 CB PHE A 89 2.902 -7.023 -7.556 1.00 0.00 C ATOM 1374 CG PHE A 89 2.505 -5.673 -7.033 1.00 0.00 C ATOM 1375 CD1 PHE A 89 3.114 -5.145 -5.906 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.519 -4.935 -7.666 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.748 -3.904 -5.421 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.148 -3.693 -7.186 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.763 -3.177 -6.062 1.00 0.00 C ATOM 0 H PHE A 89 4.240 -9.124 -8.256 1.00 0.00 H new ATOM 0 HA PHE A 89 4.233 -6.300 -9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.130 -7.380 -8.238 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.943 -7.727 -6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.884 -5.710 -5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.034 -5.334 -8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.231 -3.503 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.378 -3.127 -7.689 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.475 -2.207 -5.685 1.00 0.00 H new ATOM 1389 N LEU A 90 6.058 -7.641 -6.771 1.00 0.00 N ATOM 1390 CA LEU A 90 7.138 -7.395 -5.820 1.00 0.00 C ATOM 1391 C LEU A 90 8.513 -7.482 -6.482 1.00 0.00 C ATOM 1392 O LEU A 90 9.226 -6.483 -6.579 1.00 0.00 O ATOM 1393 CB LEU A 90 7.057 -8.390 -4.661 1.00 0.00 C ATOM 1394 CG LEU A 90 6.229 -7.922 -3.463 1.00 0.00 C ATOM 1395 CD1 LEU A 90 6.068 -9.048 -2.452 1.00 0.00 C ATOM 1396 CD2 LEU A 90 6.874 -6.707 -2.812 1.00 0.00 C ATOM 0 H LEU A 90 5.891 -8.626 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 90 7.014 -6.380 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.635 -9.324 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.069 -8.611 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 90 5.239 -7.637 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.476 -8.696 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.562 -9.891 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.050 -9.365 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.272 -6.387 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.876 -6.966 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.937 -5.896 -3.537 1.00 0.00 H new