USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.2) USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00755) USER MOD Single : A 10 SER OG : rot -90:sc= -0.13 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= 1.21 (180deg=-0.669) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.438 USER MOD Single : A 34 GLN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.13 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.0139 USER MOD Single : A 42 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.6!) USER MOD Single : A 43 SER OG : rot -117:sc= 0.164 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -0.0709 (180deg=-0.961) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 52 SER OG : rot -116:sc= 0.88 USER MOD Single : A 54 TYR OH : rot -112:sc= 0.35 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= -0.0676 (180deg=-0.631) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -112:sc= 0.181 USER MOD Single : A 64 ASN : amide:sc= -0.425 K(o=-0.42,f=-2.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 164:sc= -2.51! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 15.541 6.687 5.468 1.00 2.87 N ATOM 28 CA GLN A 3 14.199 7.198 5.208 1.00 2.29 C ATOM 29 C GLN A 3 13.371 6.179 4.435 1.00 1.97 C ATOM 30 O GLN A 3 13.914 5.350 3.706 1.00 2.17 O ATOM 31 CB GLN A 3 14.265 8.508 4.426 1.00 2.41 C ATOM 32 CG GLN A 3 14.442 9.736 5.304 1.00 3.17 C ATOM 33 CD GLN A 3 13.257 10.680 5.232 1.00 3.60 C ATOM 34 OE1 GLN A 3 13.125 11.458 4.286 1.00 3.44 O ATOM 35 NE2 GLN A 3 12.388 10.616 6.232 1.00 4.47 N ATOM 0 HA GLN A 3 13.720 7.382 6.169 1.00 2.29 H new ATOM 0 HB2 GLN A 3 15.092 8.457 3.718 1.00 2.41 H new ATOM 0 HB3 GLN A 3 13.351 8.619 3.842 1.00 2.41 H new ATOM 0 HG2 GLN A 3 14.589 9.421 6.337 1.00 3.17 H new ATOM 0 HG3 GLN A 3 15.344 10.268 5.001 1.00 3.17 H new ATOM 0 HE21 GLN A 3 12.537 9.956 6.996 1.00 4.47 H new ATOM 0 HE22 GLN A 3 11.571 11.227 6.237 1.00 4.47 H new ATOM 44 N VAL A 4 12.055 6.248 4.601 1.00 1.57 N ATOM 45 CA VAL A 4 11.148 5.332 3.922 1.00 1.29 C ATOM 46 C VAL A 4 9.928 6.060 3.368 1.00 1.28 C ATOM 47 O VAL A 4 9.443 7.023 3.961 1.00 1.44 O ATOM 48 CB VAL A 4 10.671 4.208 4.863 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.818 3.272 5.202 1.00 1.39 C ATOM 50 CG2 VAL A 4 10.062 4.793 6.126 1.00 1.57 C ATOM 0 H VAL A 4 11.592 6.931 5.201 1.00 1.57 H new ATOM 0 HA VAL A 4 11.711 4.896 3.097 1.00 1.29 H new ATOM 0 HB VAL A 4 9.902 3.631 4.349 1.00 1.17 H new ATOM 0 HG11 VAL A 4 11.461 2.485 5.867 1.00 1.39 H new ATOM 0 HG12 VAL A 4 12.206 2.825 4.287 1.00 1.39 H new ATOM 0 HG13 VAL A 4 12.611 3.833 5.696 1.00 1.39 H new ATOM 0 HG21 VAL A 4 9.731 3.985 6.778 1.00 1.57 H new ATOM 0 HG22 VAL A 4 10.808 5.395 6.644 1.00 1.57 H new ATOM 0 HG23 VAL A 4 9.210 5.419 5.863 1.00 1.57 H new ATOM 60 N VAL A 5 9.430 5.575 2.237 1.00 1.14 N ATOM 61 CA VAL A 5 8.256 6.153 1.601 1.00 1.22 C ATOM 62 C VAL A 5 7.018 5.360 2.002 1.00 1.03 C ATOM 63 O VAL A 5 7.026 4.132 1.994 1.00 0.92 O ATOM 64 CB VAL A 5 8.383 6.151 0.064 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.610 6.935 -0.374 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.436 4.725 -0.470 1.00 1.70 C ATOM 0 H VAL A 5 9.825 4.777 1.740 1.00 1.14 H new ATOM 0 HA VAL A 5 8.169 7.187 1.934 1.00 1.22 H new ATOM 0 HB VAL A 5 7.501 6.638 -0.352 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.681 6.921 -1.462 1.00 1.79 H new ATOM 0 HG12 VAL A 5 9.526 7.965 -0.029 1.00 1.79 H new ATOM 0 HG13 VAL A 5 10.504 6.481 0.054 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.526 4.746 -1.556 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.297 4.209 -0.045 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.523 4.198 -0.192 1.00 1.70 H new ATOM 76 N GLN A 6 5.970 6.065 2.392 1.00 1.03 N ATOM 77 CA GLN A 6 4.752 5.428 2.843 1.00 0.85 C ATOM 78 C GLN A 6 3.695 5.353 1.748 1.00 0.83 C ATOM 79 O GLN A 6 3.584 6.247 0.910 1.00 0.94 O ATOM 80 CB GLN A 6 4.208 6.192 4.042 1.00 0.83 C ATOM 81 CG GLN A 6 3.582 7.524 3.687 1.00 1.45 C ATOM 82 CD GLN A 6 4.604 8.630 3.509 1.00 1.81 C ATOM 83 OE1 GLN A 6 5.614 8.675 4.211 1.00 2.26 O ATOM 84 NE2 GLN A 6 4.348 9.527 2.564 1.00 2.01 N ATOM 0 H GLN A 6 5.942 7.085 2.404 1.00 1.03 H new ATOM 0 HA GLN A 6 4.992 4.402 3.122 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.465 5.575 4.547 1.00 0.83 H new ATOM 0 HB3 GLN A 6 5.018 6.360 4.752 1.00 0.83 H new ATOM 0 HG2 GLN A 6 3.008 7.416 2.767 1.00 1.45 H new ATOM 0 HG3 GLN A 6 2.879 7.809 4.470 1.00 1.45 H new ATOM 0 HE21 GLN A 6 3.498 9.451 2.005 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.001 10.292 2.397 1.00 2.01 H new ATOM 93 N PHE A 7 2.911 4.281 1.779 1.00 0.74 N ATOM 94 CA PHE A 7 1.847 4.081 0.809 1.00 0.78 C ATOM 95 C PHE A 7 0.486 4.364 1.452 1.00 0.62 C ATOM 96 O PHE A 7 0.282 4.106 2.643 1.00 0.55 O ATOM 97 CB PHE A 7 1.905 2.650 0.250 1.00 0.86 C ATOM 98 CG PHE A 7 0.630 2.200 -0.409 1.00 0.97 C ATOM 99 CD1 PHE A 7 0.364 2.520 -1.730 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.307 1.474 0.305 1.00 1.14 C ATOM 101 CE1 PHE A 7 -0.816 2.120 -2.327 1.00 1.17 C ATOM 102 CE2 PHE A 7 -1.485 1.069 -0.286 1.00 1.29 C ATOM 103 CZ PHE A 7 -1.742 1.393 -1.603 1.00 1.29 C ATOM 0 H PHE A 7 2.995 3.535 2.470 1.00 0.74 H new ATOM 0 HA PHE A 7 1.983 4.777 -0.019 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.718 2.586 -0.473 1.00 0.86 H new ATOM 0 HB3 PHE A 7 2.145 1.963 1.062 1.00 0.86 H new ATOM 0 HD1 PHE A 7 1.086 3.088 -2.299 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.113 1.222 1.337 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -1.014 2.375 -3.358 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.206 0.499 0.281 1.00 1.29 H new ATOM 0 HZ PHE A 7 -2.665 1.079 -2.067 1.00 1.29 H new ATOM 113 N LYS A 8 -0.435 4.899 0.651 1.00 0.60 N ATOM 114 CA LYS A 8 -1.777 5.229 1.123 1.00 0.54 C ATOM 115 C LYS A 8 -2.848 4.618 0.220 1.00 0.68 C ATOM 116 O LYS A 8 -2.671 4.526 -0.995 1.00 0.77 O ATOM 117 CB LYS A 8 -1.952 6.750 1.181 1.00 0.61 C ATOM 118 CG LYS A 8 -2.023 7.412 -0.187 1.00 1.40 C ATOM 119 CD LYS A 8 -0.724 8.122 -0.528 1.00 2.22 C ATOM 120 CE LYS A 8 -0.630 9.472 0.162 1.00 1.88 C ATOM 121 NZ LYS A 8 -1.462 10.504 -0.518 1.00 2.42 N ATOM 0 H LYS A 8 -0.274 5.114 -0.333 1.00 0.60 H new ATOM 0 HA LYS A 8 -1.896 4.810 2.122 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -2.863 6.981 1.734 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.122 7.181 1.740 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.238 6.660 -0.946 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -2.846 8.127 -0.205 1.00 1.40 H new ATOM 0 HD2 LYS A 8 0.121 7.500 -0.230 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -0.655 8.258 -1.607 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -0.951 9.373 1.199 1.00 1.88 H new ATOM 0 HE3 LYS A 8 0.410 9.799 0.180 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -1.317 11.425 -0.057 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -1.185 10.570 -1.518 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -2.465 10.239 -0.454 1.00 2.42 H new ATOM 135 N LEU A 9 -3.969 4.210 0.820 1.00 0.86 N ATOM 136 CA LEU A 9 -5.083 3.618 0.071 1.00 1.06 C ATOM 137 C LEU A 9 -5.348 4.401 -1.213 1.00 1.74 C ATOM 138 O LEU A 9 -5.679 5.586 -1.173 1.00 2.24 O ATOM 139 CB LEU A 9 -6.343 3.598 0.951 1.00 1.28 C ATOM 140 CG LEU A 9 -7.634 3.062 0.303 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.182 4.052 -0.711 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.414 1.703 -0.339 1.00 1.96 C ATOM 0 H LEU A 9 -4.131 4.279 1.825 1.00 0.86 H new ATOM 0 HA LEU A 9 -4.818 2.597 -0.203 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.131 2.996 1.834 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -6.533 4.614 1.296 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.371 2.938 1.096 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.093 3.651 -1.155 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.405 4.996 -0.214 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.441 4.220 -1.493 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.346 1.357 -0.786 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.650 1.785 -1.112 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.088 0.991 0.419 1.00 1.96 H new ATOM 154 N SER A 10 -5.194 3.733 -2.350 1.00 2.11 N ATOM 155 CA SER A 10 -5.412 4.369 -3.642 1.00 2.83 C ATOM 156 C SER A 10 -6.441 3.599 -4.462 1.00 2.93 C ATOM 157 O SER A 10 -6.166 2.504 -4.954 1.00 3.26 O ATOM 158 CB SER A 10 -4.094 4.465 -4.412 1.00 3.76 C ATOM 159 OG SER A 10 -3.352 3.263 -4.303 1.00 4.49 O ATOM 0 H SER A 10 -4.919 2.752 -2.403 1.00 2.11 H new ATOM 0 HA SER A 10 -5.797 5.374 -3.466 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.297 4.677 -5.462 1.00 3.76 H new ATOM 0 HB3 SER A 10 -3.504 5.297 -4.027 1.00 3.76 H new ATOM 0 HG SER A 10 -2.760 3.314 -3.524 1.00 4.49 H new ATOM 165 N ASP A 11 -7.628 4.179 -4.603 1.00 3.22 N ATOM 166 CA ASP A 11 -8.702 3.550 -5.361 1.00 3.68 C ATOM 167 C ASP A 11 -9.928 4.453 -5.421 1.00 3.44 C ATOM 168 O ASP A 11 -10.587 4.551 -6.455 1.00 4.01 O ATOM 169 CB ASP A 11 -9.082 2.209 -4.732 1.00 4.18 C ATOM 170 CG ASP A 11 -10.135 1.472 -5.535 1.00 4.90 C ATOM 171 OD1 ASP A 11 -11.312 1.886 -5.492 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.782 0.481 -6.209 1.00 5.24 O ATOM 0 H ASP A 11 -7.870 5.085 -4.202 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.342 3.382 -6.376 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.192 1.586 -4.646 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.452 2.377 -3.721 1.00 4.18 H new ATOM 177 N ILE A 12 -10.232 5.107 -4.305 1.00 2.82 N ATOM 178 CA ILE A 12 -11.385 5.995 -4.232 1.00 2.70 C ATOM 179 C ILE A 12 -10.993 7.379 -3.722 1.00 2.96 C ATOM 180 O ILE A 12 -9.828 7.632 -3.413 1.00 3.29 O ATOM 181 CB ILE A 12 -12.484 5.416 -3.320 1.00 2.58 C ATOM 182 CG1 ILE A 12 -11.866 4.738 -2.091 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.354 4.437 -4.096 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.245 3.385 -2.383 1.00 1.97 C ATOM 0 H ILE A 12 -9.696 5.039 -3.440 1.00 2.82 H new ATOM 0 HA ILE A 12 -11.773 6.086 -5.247 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.113 6.236 -2.973 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.103 5.394 -1.671 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.636 4.617 -1.329 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.126 4.036 -3.439 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -13.823 4.952 -4.934 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -12.737 3.620 -4.471 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -10.829 2.970 -1.465 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.008 2.711 -2.774 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.451 3.501 -3.121 1.00 1.97 H new ATOM 196 N GLY A 13 -11.976 8.272 -3.638 1.00 3.15 N ATOM 197 CA GLY A 13 -11.719 9.622 -3.166 1.00 3.67 C ATOM 198 C GLY A 13 -11.938 9.767 -1.671 1.00 3.84 C ATOM 199 O GLY A 13 -12.763 9.065 -1.087 1.00 3.63 O ATOM 0 H GLY A 13 -12.947 8.084 -3.889 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -10.693 9.899 -3.408 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -12.370 10.318 -3.694 1.00 3.67 H new ATOM 203 N GLU A 14 -11.190 10.676 -1.050 1.00 4.49 N ATOM 204 CA GLU A 14 -11.299 10.908 0.387 1.00 4.81 C ATOM 205 C GLU A 14 -12.694 11.405 0.758 1.00 4.15 C ATOM 206 O GLU A 14 -12.962 12.605 0.738 1.00 4.04 O ATOM 207 CB GLU A 14 -10.242 11.921 0.841 1.00 5.76 C ATOM 208 CG GLU A 14 -10.420 12.397 2.275 1.00 6.16 C ATOM 209 CD GLU A 14 -10.743 11.267 3.233 1.00 7.04 C ATOM 210 OE1 GLU A 14 -10.145 10.180 3.092 1.00 7.72 O ATOM 211 OE2 GLU A 14 -11.593 11.471 4.126 1.00 7.20 O ATOM 0 H GLU A 14 -10.502 11.264 -1.520 1.00 4.49 H new ATOM 0 HA GLU A 14 -11.128 9.960 0.897 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -9.254 11.472 0.738 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -10.271 12.784 0.176 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -9.508 12.896 2.603 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -11.219 13.137 2.311 1.00 6.16 H new ATOM 218 N GLY A 15 -13.576 10.472 1.100 1.00 3.81 N ATOM 219 CA GLY A 15 -14.930 10.833 1.476 1.00 3.32 C ATOM 220 C GLY A 15 -15.916 9.716 1.209 1.00 2.93 C ATOM 221 O GLY A 15 -16.595 9.242 2.120 1.00 3.13 O ATOM 0 H GLY A 15 -13.377 9.472 1.123 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -14.954 11.091 2.535 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -15.233 11.723 0.924 1.00 3.32 H new ATOM 225 N ILE A 16 -15.993 9.294 -0.047 1.00 2.53 N ATOM 226 CA ILE A 16 -16.897 8.225 -0.445 1.00 2.22 C ATOM 227 C ILE A 16 -16.546 6.920 0.259 1.00 1.91 C ATOM 228 O ILE A 16 -15.685 6.888 1.137 1.00 1.88 O ATOM 229 CB ILE A 16 -16.851 8.002 -1.968 1.00 2.22 C ATOM 230 CG1 ILE A 16 -15.469 7.494 -2.389 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.192 9.291 -2.701 1.00 2.54 C ATOM 232 CD1 ILE A 16 -15.523 6.291 -3.302 1.00 2.22 C ATOM 0 H ILE A 16 -15.437 9.679 -0.810 1.00 2.53 H new ATOM 0 HA ILE A 16 -17.903 8.529 -0.156 1.00 2.22 H new ATOM 0 HB ILE A 16 -17.592 7.248 -2.233 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -14.932 8.298 -2.892 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -14.897 7.238 -1.497 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.156 9.118 -3.777 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.194 9.616 -2.419 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -16.471 10.064 -2.433 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -14.509 5.985 -3.560 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.031 5.471 -2.794 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.067 6.548 -4.211 1.00 2.22 H new ATOM 244 N ARG A 17 -17.213 5.842 -0.140 1.00 1.82 N ATOM 245 CA ARG A 17 -16.963 4.533 0.446 1.00 1.64 C ATOM 246 C ARG A 17 -15.481 4.185 0.364 1.00 1.22 C ATOM 247 O ARG A 17 -14.773 4.650 -0.529 1.00 1.14 O ATOM 248 CB ARG A 17 -17.792 3.461 -0.265 1.00 1.77 C ATOM 249 CG ARG A 17 -19.202 3.319 0.284 1.00 2.27 C ATOM 250 CD ARG A 17 -19.336 2.085 1.164 1.00 2.75 C ATOM 251 NE ARG A 17 -18.581 2.217 2.406 1.00 3.16 N ATOM 252 CZ ARG A 17 -18.829 1.501 3.498 1.00 3.76 C ATOM 253 NH1 ARG A 17 -19.802 0.601 3.496 1.00 4.04 N ATOM 254 NH2 ARG A 17 -18.101 1.684 4.591 1.00 4.40 N ATOM 0 H ARG A 17 -17.930 5.850 -0.866 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.258 4.567 1.495 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -17.847 3.701 -1.327 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.280 2.502 -0.181 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.461 4.208 0.860 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -19.911 3.257 -0.542 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -20.388 1.916 1.395 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -18.985 1.210 0.617 1.00 2.75 H new ATOM 0 HE ARG A 17 -17.821 2.896 2.438 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -20.362 0.457 2.656 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -19.991 0.052 4.335 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -17.350 2.375 4.594 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -18.292 1.134 5.429 1.00 4.40 H new ATOM 268 N GLU A 18 -15.019 3.367 1.301 1.00 1.16 N ATOM 269 CA GLU A 18 -13.620 2.955 1.338 1.00 0.91 C ATOM 270 C GLU A 18 -13.460 1.573 0.716 1.00 0.63 C ATOM 271 O GLU A 18 -14.451 0.939 0.353 1.00 0.66 O ATOM 272 CB GLU A 18 -13.111 2.966 2.777 1.00 1.29 C ATOM 273 CG GLU A 18 -12.993 4.365 3.355 1.00 1.64 C ATOM 274 CD GLU A 18 -14.028 4.637 4.429 1.00 1.83 C ATOM 275 OE1 GLU A 18 -14.273 3.736 5.259 1.00 2.17 O ATOM 276 OE2 GLU A 18 -14.596 5.749 4.439 1.00 2.11 O ATOM 0 H GLU A 18 -15.593 2.975 2.047 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.026 3.660 0.757 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.785 2.378 3.399 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.136 2.480 2.815 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -11.996 4.499 3.774 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.104 5.096 2.554 1.00 1.64 H new ATOM 283 N VAL A 19 -12.222 1.108 0.563 1.00 0.63 N ATOM 284 CA VAL A 19 -12.004 -0.201 -0.055 1.00 0.57 C ATOM 285 C VAL A 19 -11.210 -1.153 0.834 1.00 0.41 C ATOM 286 O VAL A 19 -10.359 -0.736 1.620 1.00 0.47 O ATOM 287 CB VAL A 19 -11.299 -0.074 -1.419 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.877 0.428 -1.247 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.316 -1.405 -2.154 1.00 1.16 C ATOM 0 H VAL A 19 -11.375 1.600 0.849 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.998 -0.624 -0.198 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.844 0.655 -2.018 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.399 0.510 -2.223 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.892 1.407 -0.767 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.317 -0.271 -0.626 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.814 -1.296 -3.115 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.799 -2.157 -1.557 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.347 -1.718 -2.317 1.00 1.16 H new ATOM 299 N THR A 20 -11.503 -2.445 0.690 1.00 0.37 N ATOM 300 CA THR A 20 -10.836 -3.485 1.464 1.00 0.30 C ATOM 301 C THR A 20 -9.720 -4.123 0.659 1.00 0.33 C ATOM 302 O THR A 20 -9.734 -4.093 -0.572 1.00 0.65 O ATOM 303 CB THR A 20 -11.813 -4.608 1.871 1.00 0.43 C ATOM 304 OG1 THR A 20 -13.163 -4.134 1.833 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.483 -5.146 3.259 1.00 0.54 C ATOM 0 H THR A 20 -12.204 -2.796 0.038 1.00 0.37 H new ATOM 0 HA THR A 20 -10.440 -2.999 2.355 1.00 0.30 H new ATOM 0 HB THR A 20 -11.705 -5.423 1.155 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.771 -4.858 2.092 1.00 0.69 H new ATOM 0 HG21 THR A 20 -12.187 -5.936 3.520 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.470 -5.548 3.262 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.556 -4.339 3.989 1.00 0.54 H new ATOM 313 N VAL A 21 -8.765 -4.719 1.355 1.00 0.28 N ATOM 314 CA VAL A 21 -7.658 -5.383 0.686 1.00 0.25 C ATOM 315 C VAL A 21 -8.084 -6.762 0.195 1.00 0.29 C ATOM 316 O VAL A 21 -8.623 -7.563 0.957 1.00 0.33 O ATOM 317 CB VAL A 21 -6.438 -5.528 1.611 1.00 0.29 C ATOM 318 CG1 VAL A 21 -5.265 -6.132 0.853 1.00 1.39 C ATOM 319 CG2 VAL A 21 -6.060 -4.181 2.207 1.00 1.21 C ATOM 0 H VAL A 21 -8.733 -4.757 2.374 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.374 -4.761 -0.163 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.699 -6.201 2.428 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.410 -6.228 1.522 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.543 -7.116 0.477 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -5.000 -5.485 0.017 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.195 -4.302 2.859 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.816 -3.484 1.405 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.898 -3.791 2.784 1.00 1.21 H new ATOM 329 N LYS A 22 -7.850 -7.033 -1.083 1.00 0.36 N ATOM 330 CA LYS A 22 -8.218 -8.316 -1.670 1.00 0.46 C ATOM 331 C LYS A 22 -7.031 -9.272 -1.668 1.00 0.52 C ATOM 332 O LYS A 22 -7.203 -10.491 -1.646 1.00 0.66 O ATOM 333 CB LYS A 22 -8.728 -8.122 -3.099 1.00 0.52 C ATOM 334 CG LYS A 22 -10.128 -8.669 -3.328 1.00 0.78 C ATOM 335 CD LYS A 22 -11.133 -8.064 -2.361 1.00 1.48 C ATOM 336 CE LYS A 22 -11.071 -6.545 -2.366 1.00 2.16 C ATOM 337 NZ LYS A 22 -12.366 -5.936 -1.956 1.00 2.95 N ATOM 0 H LYS A 22 -7.408 -6.383 -1.732 1.00 0.36 H new ATOM 0 HA LYS A 22 -9.014 -8.749 -1.065 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.720 -7.058 -3.337 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -8.040 -8.609 -3.790 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -10.437 -8.460 -4.352 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -10.119 -9.753 -3.212 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -12.138 -8.388 -2.630 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -10.938 -8.433 -1.354 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -10.283 -6.211 -1.691 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -10.805 -6.196 -3.364 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -12.520 -5.056 -2.489 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -13.141 -6.601 -2.154 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -12.343 -5.725 -0.938 1.00 2.95 H new ATOM 351 N GLU A 23 -5.826 -8.712 -1.694 1.00 0.46 N ATOM 352 CA GLU A 23 -4.612 -9.519 -1.699 1.00 0.56 C ATOM 353 C GLU A 23 -3.532 -8.904 -0.813 1.00 0.42 C ATOM 354 O GLU A 23 -3.341 -7.688 -0.796 1.00 0.42 O ATOM 355 CB GLU A 23 -4.085 -9.676 -3.126 1.00 0.73 C ATOM 356 CG GLU A 23 -3.812 -11.119 -3.519 1.00 1.09 C ATOM 357 CD GLU A 23 -4.756 -11.617 -4.596 1.00 1.33 C ATOM 358 OE1 GLU A 23 -5.984 -11.570 -4.376 1.00 2.13 O ATOM 359 OE2 GLU A 23 -4.266 -12.051 -5.659 1.00 1.63 O ATOM 0 H GLU A 23 -5.665 -7.705 -1.712 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.864 -10.501 -1.298 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.809 -9.250 -3.821 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -3.166 -9.100 -3.230 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -2.785 -11.208 -3.872 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -3.903 -11.755 -2.639 1.00 1.09 H new ATOM 366 N TRP A 24 -2.824 -9.763 -0.088 1.00 0.35 N ATOM 367 CA TRP A 24 -1.749 -9.331 0.799 1.00 0.26 C ATOM 368 C TRP A 24 -0.562 -10.279 0.669 1.00 0.24 C ATOM 369 O TRP A 24 -0.670 -11.463 0.985 1.00 0.33 O ATOM 370 CB TRP A 24 -2.242 -9.293 2.250 1.00 0.37 C ATOM 371 CG TRP A 24 -2.711 -7.938 2.683 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.975 -7.598 3.065 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.927 -6.744 2.780 1.00 0.36 C ATOM 374 NE1 TRP A 24 -4.028 -6.266 3.392 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.784 -5.719 3.225 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.585 -6.439 2.534 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.343 -4.415 3.429 1.00 0.52 C ATOM 378 CZ3 TRP A 24 -0.148 -5.143 2.736 1.00 0.83 C ATOM 379 CH2 TRP A 24 -1.026 -4.145 3.180 1.00 0.70 C ATOM 0 H TRP A 24 -2.977 -10.771 -0.098 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.434 -8.327 0.514 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -3.058 -10.006 2.368 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -1.436 -9.618 2.908 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.813 -8.278 3.105 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.859 -5.765 3.708 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.098 -7.202 2.192 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -3.017 -3.644 3.772 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 0.886 -4.896 2.549 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.655 -3.142 3.329 1.00 0.70 H new ATOM 390 N TYR A 25 0.566 -9.764 0.183 1.00 0.20 N ATOM 391 CA TYR A 25 1.753 -10.597 -0.001 1.00 0.31 C ATOM 392 C TYR A 25 2.941 -10.095 0.820 1.00 0.27 C ATOM 393 O TYR A 25 4.072 -10.532 0.610 1.00 0.36 O ATOM 394 CB TYR A 25 2.130 -10.655 -1.483 1.00 0.42 C ATOM 395 CG TYR A 25 2.009 -12.039 -2.088 1.00 0.70 C ATOM 396 CD1 TYR A 25 0.767 -12.640 -2.257 1.00 1.07 C ATOM 397 CD2 TYR A 25 3.138 -12.743 -2.490 1.00 1.16 C ATOM 398 CE1 TYR A 25 0.654 -13.903 -2.808 1.00 1.34 C ATOM 399 CE2 TYR A 25 3.032 -14.007 -3.042 1.00 1.44 C ATOM 400 CZ TYR A 25 1.789 -14.582 -3.198 1.00 1.36 C ATOM 401 OH TYR A 25 1.681 -15.839 -3.746 1.00 1.72 O ATOM 0 H TYR A 25 0.683 -8.787 -0.087 1.00 0.20 H new ATOM 0 HA TYR A 25 1.507 -11.598 0.354 1.00 0.31 H new ATOM 0 HB2 TYR A 25 1.491 -9.968 -2.038 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.155 -10.304 -1.602 1.00 0.42 H new ATOM 0 HD1 TYR A 25 -0.124 -12.112 -1.953 1.00 1.07 H new ATOM 0 HD2 TYR A 25 4.114 -12.296 -2.369 1.00 1.16 H new ATOM 0 HE1 TYR A 25 -0.319 -14.356 -2.932 1.00 1.34 H new ATOM 0 HE2 TYR A 25 3.919 -14.541 -3.349 1.00 1.44 H new ATOM 0 HH TYR A 25 2.574 -16.177 -3.967 1.00 1.72 H new ATOM 411 N VAL A 26 2.687 -9.184 1.755 1.00 0.22 N ATOM 412 CA VAL A 26 3.750 -8.643 2.598 1.00 0.22 C ATOM 413 C VAL A 26 3.265 -8.451 4.032 1.00 0.22 C ATOM 414 O VAL A 26 2.063 -8.435 4.294 1.00 0.31 O ATOM 415 CB VAL A 26 4.269 -7.294 2.063 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.848 -7.453 0.666 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.156 -6.257 2.080 1.00 0.40 C ATOM 0 H VAL A 26 1.759 -8.806 1.948 1.00 0.22 H new ATOM 0 HA VAL A 26 4.564 -9.367 2.580 1.00 0.22 H new ATOM 0 HB VAL A 26 5.070 -6.947 2.716 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.208 -6.488 0.309 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.676 -8.161 0.694 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.076 -7.824 -0.008 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.536 -5.309 1.700 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.333 -6.596 1.451 1.00 0.40 H new ATOM 0 HG23 VAL A 26 2.800 -6.122 3.101 1.00 0.40 H new ATOM 427 N LYS A 27 4.209 -8.303 4.956 1.00 0.24 N ATOM 428 CA LYS A 27 3.876 -8.109 6.364 1.00 0.26 C ATOM 429 C LYS A 27 4.836 -7.123 7.021 1.00 0.29 C ATOM 430 O LYS A 27 5.892 -6.809 6.473 1.00 0.42 O ATOM 431 CB LYS A 27 3.911 -9.445 7.108 1.00 0.38 C ATOM 432 CG LYS A 27 2.532 -10.019 7.387 1.00 0.61 C ATOM 433 CD LYS A 27 2.587 -11.114 8.439 1.00 0.99 C ATOM 434 CE LYS A 27 1.210 -11.403 9.016 1.00 1.52 C ATOM 435 NZ LYS A 27 1.166 -12.719 9.711 1.00 1.89 N ATOM 0 H LYS A 27 5.209 -8.314 4.756 1.00 0.24 H new ATOM 0 HA LYS A 27 2.868 -7.697 6.418 1.00 0.26 H new ATOM 0 HB2 LYS A 27 4.483 -10.164 6.521 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.439 -9.312 8.052 1.00 0.38 H new ATOM 0 HG2 LYS A 27 1.867 -9.224 7.723 1.00 0.61 H new ATOM 0 HG3 LYS A 27 2.110 -10.419 6.465 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.996 -12.023 7.998 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.263 -10.816 9.240 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.936 -10.613 9.716 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.471 -11.390 8.215 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.211 -12.879 10.090 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 1.403 -13.475 9.038 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.854 -12.723 10.491 1.00 1.89 H new ATOM 449 N GLU A 28 4.461 -6.641 8.200 1.00 0.30 N ATOM 450 CA GLU A 28 5.289 -5.691 8.937 1.00 0.34 C ATOM 451 C GLU A 28 6.715 -6.213 9.071 1.00 0.38 C ATOM 452 O GLU A 28 6.927 -7.389 9.366 1.00 0.42 O ATOM 453 CB GLU A 28 4.700 -5.434 10.327 1.00 0.42 C ATOM 454 CG GLU A 28 3.185 -5.311 10.344 1.00 0.35 C ATOM 455 CD GLU A 28 2.507 -6.542 10.911 1.00 1.10 C ATOM 456 OE1 GLU A 28 2.438 -6.662 12.152 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.045 -7.386 10.114 1.00 2.03 O ATOM 0 H GLU A 28 3.589 -6.892 8.667 1.00 0.30 H new ATOM 0 HA GLU A 28 5.308 -4.754 8.380 1.00 0.34 H new ATOM 0 HB2 GLU A 28 4.996 -6.246 10.991 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.133 -4.519 10.730 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.901 -4.440 10.935 1.00 0.35 H new ATOM 0 HG3 GLU A 28 2.827 -5.138 9.329 1.00 0.35 H new ATOM 464 N GLY A 29 7.692 -5.338 8.848 1.00 0.39 N ATOM 465 CA GLY A 29 9.081 -5.750 8.947 1.00 0.45 C ATOM 466 C GLY A 29 9.518 -6.621 7.779 1.00 0.40 C ATOM 467 O GLY A 29 10.642 -7.121 7.759 1.00 0.44 O ATOM 0 H GLY A 29 7.548 -4.358 8.602 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.716 -4.865 8.993 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.228 -6.297 9.878 1.00 0.45 H new ATOM 471 N ASP A 30 8.621 -6.820 6.814 1.00 0.34 N ATOM 472 CA ASP A 30 8.915 -7.655 5.653 1.00 0.31 C ATOM 473 C ASP A 30 9.330 -6.813 4.455 1.00 0.25 C ATOM 474 O ASP A 30 8.958 -5.644 4.345 1.00 0.24 O ATOM 475 CB ASP A 30 7.693 -8.499 5.289 1.00 0.31 C ATOM 476 CG ASP A 30 8.065 -9.770 4.550 1.00 0.91 C ATOM 477 OD1 ASP A 30 8.860 -9.688 3.590 1.00 1.27 O ATOM 478 OD2 ASP A 30 7.558 -10.847 4.929 1.00 1.36 O ATOM 0 H ASP A 30 7.685 -6.414 6.814 1.00 0.34 H new ATOM 0 HA ASP A 30 9.746 -8.310 5.916 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.150 -8.757 6.198 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.018 -7.907 4.671 1.00 0.31 H new ATOM 483 N THR A 31 10.100 -7.416 3.556 1.00 0.23 N ATOM 484 CA THR A 31 10.560 -6.722 2.364 1.00 0.18 C ATOM 485 C THR A 31 9.725 -7.094 1.145 1.00 0.18 C ATOM 486 O THR A 31 9.269 -8.229 1.008 1.00 0.30 O ATOM 487 CB THR A 31 12.038 -7.023 2.064 1.00 0.19 C ATOM 488 OG1 THR A 31 12.787 -7.081 3.284 1.00 0.31 O ATOM 489 CG2 THR A 31 12.619 -5.953 1.154 1.00 0.30 C ATOM 0 H THR A 31 10.417 -8.382 3.632 1.00 0.23 H new ATOM 0 HA THR A 31 10.448 -5.657 2.568 1.00 0.18 H new ATOM 0 HB THR A 31 12.101 -7.988 1.561 1.00 0.19 H new ATOM 0 HG1 THR A 31 13.726 -7.275 3.082 1.00 0.31 H new ATOM 0 HG21 THR A 31 13.666 -6.178 0.950 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.063 -5.931 0.217 1.00 0.30 H new ATOM 0 HG23 THR A 31 12.546 -4.981 1.642 1.00 0.30 H new ATOM 497 N VAL A 32 9.538 -6.122 0.263 1.00 0.14 N ATOM 498 CA VAL A 32 8.768 -6.313 -0.958 1.00 0.14 C ATOM 499 C VAL A 32 9.696 -6.423 -2.161 1.00 0.14 C ATOM 500 O VAL A 32 10.892 -6.155 -2.053 1.00 0.18 O ATOM 501 CB VAL A 32 7.752 -5.165 -1.208 1.00 0.20 C ATOM 502 CG1 VAL A 32 6.339 -5.705 -1.141 1.00 0.28 C ATOM 503 CG2 VAL A 32 7.927 -4.008 -0.226 1.00 0.18 C ATOM 0 H VAL A 32 9.915 -5.181 0.373 1.00 0.14 H new ATOM 0 HA VAL A 32 8.207 -7.238 -0.828 1.00 0.14 H new ATOM 0 HB VAL A 32 7.945 -4.767 -2.204 1.00 0.20 H new ATOM 0 HG11 VAL A 32 5.631 -4.895 -1.317 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.207 -6.474 -1.902 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.160 -6.135 -0.156 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.193 -3.232 -0.444 1.00 0.18 H new ATOM 0 HG22 VAL A 32 7.782 -4.370 0.792 1.00 0.18 H new ATOM 0 HG23 VAL A 32 8.931 -3.596 -0.325 1.00 0.18 H new ATOM 513 N SER A 33 9.139 -6.819 -3.302 1.00 0.23 N ATOM 514 CA SER A 33 9.921 -6.964 -4.526 1.00 0.31 C ATOM 515 C SER A 33 9.166 -6.401 -5.727 1.00 0.33 C ATOM 516 O SER A 33 7.950 -6.214 -5.676 1.00 0.35 O ATOM 517 CB SER A 33 10.261 -8.436 -4.770 1.00 0.38 C ATOM 518 OG SER A 33 10.169 -9.187 -3.572 1.00 1.42 O ATOM 0 H SER A 33 8.150 -7.045 -3.405 1.00 0.23 H new ATOM 0 HA SER A 33 10.845 -6.399 -4.403 1.00 0.31 H new ATOM 0 HB2 SER A 33 9.582 -8.850 -5.515 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.269 -8.517 -5.177 1.00 0.38 H new ATOM 0 HG SER A 33 10.389 -10.124 -3.756 1.00 1.42 H new ATOM 524 N GLN A 34 9.894 -6.134 -6.807 1.00 0.37 N ATOM 525 CA GLN A 34 9.294 -5.593 -8.023 1.00 0.41 C ATOM 526 C GLN A 34 8.087 -6.418 -8.450 1.00 0.43 C ATOM 527 O GLN A 34 7.076 -5.875 -8.894 1.00 0.52 O ATOM 528 CB GLN A 34 10.325 -5.557 -9.152 1.00 0.44 C ATOM 529 CG GLN A 34 9.750 -5.114 -10.487 1.00 0.76 C ATOM 530 CD GLN A 34 10.652 -5.468 -11.653 1.00 1.54 C ATOM 531 OE1 GLN A 34 11.223 -4.591 -12.300 1.00 2.38 O ATOM 532 NE2 GLN A 34 10.785 -6.761 -11.927 1.00 1.72 N ATOM 0 H GLN A 34 10.901 -6.283 -6.865 1.00 0.37 H new ATOM 0 HA GLN A 34 8.960 -4.577 -7.811 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.134 -4.882 -8.872 1.00 0.44 H new ATOM 0 HB3 GLN A 34 10.762 -6.549 -9.265 1.00 0.44 H new ATOM 0 HG2 GLN A 34 8.775 -5.579 -10.632 1.00 0.76 H new ATOM 0 HG3 GLN A 34 9.589 -4.036 -10.470 1.00 0.76 H new ATOM 0 HE21 GLN A 34 10.293 -7.455 -11.364 1.00 1.72 H new ATOM 0 HE22 GLN A 34 11.379 -7.060 -12.700 1.00 1.72 H new ATOM 541 N PHE A 35 8.200 -7.732 -8.314 1.00 0.43 N ATOM 542 CA PHE A 35 7.118 -8.633 -8.686 1.00 0.48 C ATOM 543 C PHE A 35 6.232 -8.958 -7.485 1.00 0.43 C ATOM 544 O PHE A 35 5.097 -9.407 -7.646 1.00 0.47 O ATOM 545 CB PHE A 35 7.683 -9.921 -9.288 1.00 0.58 C ATOM 546 CG PHE A 35 8.884 -10.451 -8.557 1.00 0.99 C ATOM 547 CD1 PHE A 35 8.739 -11.121 -7.353 1.00 1.86 C ATOM 548 CD2 PHE A 35 10.157 -10.279 -9.076 1.00 1.12 C ATOM 549 CE1 PHE A 35 9.842 -11.609 -6.680 1.00 2.52 C ATOM 550 CE2 PHE A 35 11.264 -10.764 -8.406 1.00 1.64 C ATOM 551 CZ PHE A 35 11.106 -11.431 -7.207 1.00 2.31 C ATOM 0 H PHE A 35 9.030 -8.198 -7.949 1.00 0.43 H new ATOM 0 HA PHE A 35 6.504 -8.130 -9.433 1.00 0.48 H new ATOM 0 HB2 PHE A 35 6.904 -10.683 -9.290 1.00 0.58 H new ATOM 0 HB3 PHE A 35 7.953 -9.738 -10.328 1.00 0.58 H new ATOM 0 HD1 PHE A 35 7.753 -11.263 -6.936 1.00 1.86 H new ATOM 0 HD2 PHE A 35 10.286 -9.760 -10.014 1.00 1.12 H new ATOM 0 HE1 PHE A 35 9.716 -12.130 -5.742 1.00 2.52 H new ATOM 0 HE2 PHE A 35 12.252 -10.622 -8.819 1.00 1.64 H new ATOM 0 HZ PHE A 35 11.969 -11.813 -6.682 1.00 2.31 H new ATOM 561 N ASP A 36 6.752 -8.728 -6.281 1.00 0.36 N ATOM 562 CA ASP A 36 5.998 -8.996 -5.062 1.00 0.34 C ATOM 563 C ASP A 36 5.249 -7.749 -4.603 1.00 0.25 C ATOM 564 O ASP A 36 5.763 -6.961 -3.809 1.00 0.21 O ATOM 565 CB ASP A 36 6.934 -9.480 -3.953 1.00 0.41 C ATOM 566 CG ASP A 36 6.794 -10.966 -3.686 1.00 0.76 C ATOM 567 OD1 ASP A 36 5.721 -11.526 -3.995 1.00 1.69 O ATOM 568 OD2 ASP A 36 7.757 -11.570 -3.168 1.00 0.84 O ATOM 0 H ASP A 36 7.690 -8.358 -6.125 1.00 0.36 H new ATOM 0 HA ASP A 36 5.270 -9.778 -5.279 1.00 0.34 H new ATOM 0 HB2 ASP A 36 7.965 -9.259 -4.229 1.00 0.41 H new ATOM 0 HB3 ASP A 36 6.724 -8.928 -3.037 1.00 0.41 H new ATOM 573 N SER A 37 4.034 -7.575 -5.111 1.00 0.26 N ATOM 574 CA SER A 37 3.212 -6.424 -4.756 1.00 0.21 C ATOM 575 C SER A 37 2.952 -6.382 -3.253 1.00 0.23 C ATOM 576 O SER A 37 3.070 -7.396 -2.565 1.00 0.28 O ATOM 577 CB SER A 37 1.885 -6.466 -5.516 1.00 0.25 C ATOM 578 OG SER A 37 1.905 -7.464 -6.522 1.00 0.94 O ATOM 0 H SER A 37 3.596 -8.218 -5.771 1.00 0.26 H new ATOM 0 HA SER A 37 3.754 -5.521 -5.036 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.070 -6.663 -4.820 1.00 0.25 H new ATOM 0 HB3 SER A 37 1.690 -5.493 -5.968 1.00 0.25 H new ATOM 0 HG SER A 37 1.045 -7.472 -6.992 1.00 0.94 H new ATOM 584 N ILE A 38 2.596 -5.203 -2.749 1.00 0.22 N ATOM 585 CA ILE A 38 2.317 -5.034 -1.327 1.00 0.27 C ATOM 586 C ILE A 38 0.886 -5.454 -1.003 1.00 0.27 C ATOM 587 O ILE A 38 0.660 -6.487 -0.365 1.00 0.27 O ATOM 588 CB ILE A 38 2.547 -3.578 -0.875 1.00 0.32 C ATOM 589 CG1 ILE A 38 3.985 -3.155 -1.219 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.268 -3.439 0.619 1.00 0.34 C ATOM 591 CD1 ILE A 38 4.499 -1.957 -0.445 1.00 0.47 C ATOM 0 H ILE A 38 2.494 -4.353 -3.303 1.00 0.22 H new ATOM 0 HA ILE A 38 3.010 -5.676 -0.783 1.00 0.27 H new ATOM 0 HB ILE A 38 1.859 -2.918 -1.403 1.00 0.32 H new ATOM 0 HG12 ILE A 38 4.650 -3.999 -1.038 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.038 -2.931 -2.284 1.00 0.36 H new ATOM 0 HG21 ILE A 38 2.434 -2.406 0.926 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.234 -3.716 0.823 1.00 0.34 H new ATOM 0 HG23 ILE A 38 2.937 -4.095 1.177 1.00 0.34 H new ATOM 0 HD11 ILE A 38 5.520 -1.734 -0.755 1.00 0.47 H new ATOM 0 HD12 ILE A 38 3.863 -1.095 -0.644 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.485 -2.180 0.622 1.00 0.47 H new ATOM 603 N CYS A 39 -0.079 -4.657 -1.455 1.00 0.32 N ATOM 604 CA CYS A 39 -1.488 -4.955 -1.219 1.00 0.34 C ATOM 605 C CYS A 39 -2.334 -4.641 -2.450 1.00 0.40 C ATOM 606 O CYS A 39 -2.087 -3.666 -3.158 1.00 0.55 O ATOM 607 CB CYS A 39 -2.006 -4.162 -0.018 1.00 0.40 C ATOM 608 SG CYS A 39 -1.481 -2.431 0.010 1.00 1.29 S ATOM 0 H CYS A 39 0.089 -3.802 -1.985 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.571 -6.021 -1.009 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -3.095 -4.200 -0.014 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.667 -4.648 0.897 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.972 -1.846 1.062 1.00 1.29 H new ATOM 614 N GLU A 40 -3.341 -5.472 -2.694 1.00 0.36 N ATOM 615 CA GLU A 40 -4.231 -5.280 -3.831 1.00 0.44 C ATOM 616 C GLU A 40 -5.663 -5.068 -3.355 1.00 0.48 C ATOM 617 O GLU A 40 -6.203 -5.886 -2.613 1.00 0.50 O ATOM 618 CB GLU A 40 -4.165 -6.486 -4.769 1.00 0.57 C ATOM 619 CG GLU A 40 -2.947 -6.486 -5.678 1.00 1.15 C ATOM 620 CD GLU A 40 -2.665 -7.850 -6.274 1.00 1.65 C ATOM 621 OE1 GLU A 40 -3.633 -8.594 -6.540 1.00 2.37 O ATOM 622 OE2 GLU A 40 -1.476 -8.175 -6.477 1.00 1.74 O ATOM 0 H GLU A 40 -3.561 -6.285 -2.119 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.907 -4.393 -4.375 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -4.163 -7.399 -4.173 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -5.066 -6.508 -5.383 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -3.099 -5.766 -6.482 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -2.076 -6.153 -5.113 1.00 1.15 H new ATOM 629 N VAL A 41 -6.270 -3.966 -3.780 1.00 0.55 N ATOM 630 CA VAL A 41 -7.637 -3.650 -3.387 1.00 0.64 C ATOM 631 C VAL A 41 -8.563 -3.604 -4.597 1.00 0.92 C ATOM 632 O VAL A 41 -8.171 -3.156 -5.674 1.00 1.08 O ATOM 633 CB VAL A 41 -7.707 -2.301 -2.649 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.868 -2.342 -1.381 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.252 -1.172 -3.561 1.00 1.32 C ATOM 0 H VAL A 41 -5.837 -3.278 -4.396 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.965 -4.443 -2.715 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.743 -2.115 -2.365 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.930 -1.380 -0.873 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.243 -3.125 -0.722 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.830 -2.550 -1.638 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.308 -0.225 -3.024 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.224 -1.351 -3.876 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.898 -1.130 -4.438 1.00 1.32 H new ATOM 645 N GLN A 42 -9.793 -4.069 -4.412 1.00 1.03 N ATOM 646 CA GLN A 42 -10.776 -4.079 -5.489 1.00 1.34 C ATOM 647 C GLN A 42 -12.157 -3.693 -4.967 1.00 1.39 C ATOM 648 O GLN A 42 -12.652 -4.274 -4.002 1.00 1.38 O ATOM 649 CB GLN A 42 -10.829 -5.460 -6.148 1.00 1.58 C ATOM 650 CG GLN A 42 -9.601 -5.781 -6.985 1.00 1.80 C ATOM 651 CD GLN A 42 -9.836 -6.927 -7.950 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.939 -7.468 -8.032 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.797 -7.304 -8.687 1.00 2.60 N ATOM 0 H GLN A 42 -10.133 -4.444 -3.527 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.472 -3.343 -6.234 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.940 -6.219 -5.374 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.715 -5.518 -6.780 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.306 -4.894 -7.545 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.771 -6.032 -6.324 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.901 -6.828 -8.587 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.896 -8.070 -9.353 1.00 2.60 H new ATOM 662 N SER A 43 -12.770 -2.705 -5.610 1.00 1.55 N ATOM 663 CA SER A 43 -14.092 -2.234 -5.212 1.00 1.64 C ATOM 664 C SER A 43 -15.024 -2.150 -6.417 1.00 2.05 C ATOM 665 O SER A 43 -14.570 -2.003 -7.552 1.00 2.29 O ATOM 666 CB SER A 43 -13.985 -0.867 -4.535 1.00 1.43 C ATOM 667 OG SER A 43 -13.816 0.165 -5.491 1.00 1.73 O ATOM 0 H SER A 43 -12.372 -2.214 -6.410 1.00 1.55 H new ATOM 0 HA SER A 43 -14.510 -2.949 -4.504 1.00 1.64 H new ATOM 0 HB2 SER A 43 -14.883 -0.678 -3.947 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.144 -0.866 -3.842 1.00 1.43 H new ATOM 0 HG SER A 43 -12.950 0.602 -5.351 1.00 1.73 H new ATOM 673 N ASP A 44 -16.330 -2.249 -6.165 1.00 2.23 N ATOM 674 CA ASP A 44 -17.336 -2.188 -7.231 1.00 2.66 C ATOM 675 C ASP A 44 -16.985 -1.122 -8.268 1.00 2.80 C ATOM 676 O ASP A 44 -17.287 -1.269 -9.452 1.00 3.14 O ATOM 677 CB ASP A 44 -18.718 -1.904 -6.640 1.00 2.85 C ATOM 678 CG ASP A 44 -18.669 -0.891 -5.513 1.00 3.67 C ATOM 679 OD1 ASP A 44 -17.636 -0.202 -5.378 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.664 -0.787 -4.764 1.00 4.39 O ATOM 0 H ASP A 44 -16.719 -2.372 -5.230 1.00 2.23 H new ATOM 0 HA ASP A 44 -17.350 -3.157 -7.731 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -19.378 -1.537 -7.426 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -19.150 -2.834 -6.270 1.00 2.85 H new ATOM 685 N LYS A 45 -16.336 -0.056 -7.812 1.00 2.69 N ATOM 686 CA LYS A 45 -15.930 1.027 -8.697 1.00 2.92 C ATOM 687 C LYS A 45 -14.918 0.517 -9.721 1.00 3.03 C ATOM 688 O LYS A 45 -15.245 0.328 -10.892 1.00 3.65 O ATOM 689 CB LYS A 45 -15.338 2.179 -7.874 1.00 2.89 C ATOM 690 CG LYS A 45 -14.548 3.192 -8.689 1.00 2.98 C ATOM 691 CD LYS A 45 -13.067 3.139 -8.350 1.00 3.17 C ATOM 692 CE LYS A 45 -12.436 4.520 -8.380 1.00 3.22 C ATOM 693 NZ LYS A 45 -12.972 5.351 -9.492 1.00 3.62 N ATOM 0 H LYS A 45 -16.080 0.080 -6.834 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.803 1.398 -9.234 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.148 2.697 -7.361 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.687 1.763 -7.105 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.687 2.995 -9.752 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -14.931 4.194 -8.498 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -12.935 2.700 -7.361 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -12.554 2.489 -9.059 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -12.618 5.023 -7.430 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -11.356 4.423 -8.487 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -12.259 6.052 -9.776 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -13.200 4.741 -10.303 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.833 5.841 -9.175 1.00 3.62 H new ATOM 707 N ALA A 46 -13.692 0.285 -9.265 1.00 2.58 N ATOM 708 CA ALA A 46 -12.635 -0.214 -10.133 1.00 2.82 C ATOM 709 C ALA A 46 -11.657 -1.083 -9.352 1.00 2.68 C ATOM 710 O ALA A 46 -11.594 -1.015 -8.125 1.00 2.63 O ATOM 711 CB ALA A 46 -11.904 0.940 -10.804 1.00 2.83 C ATOM 0 H ALA A 46 -13.407 0.435 -8.297 1.00 2.58 H new ATOM 0 HA ALA A 46 -13.094 -0.829 -10.907 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -11.118 0.547 -11.449 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.608 1.518 -11.402 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.462 1.582 -10.043 1.00 2.83 H new ATOM 717 N SER A 47 -10.893 -1.896 -10.071 1.00 2.96 N ATOM 718 CA SER A 47 -9.915 -2.776 -9.446 1.00 2.92 C ATOM 719 C SER A 47 -8.521 -2.168 -9.532 1.00 2.26 C ATOM 720 O SER A 47 -8.044 -1.836 -10.617 1.00 2.31 O ATOM 721 CB SER A 47 -9.931 -4.150 -10.117 1.00 3.72 C ATOM 722 OG SER A 47 -11.233 -4.710 -10.103 1.00 4.52 O ATOM 0 H SER A 47 -10.932 -1.964 -11.088 1.00 2.96 H new ATOM 0 HA SER A 47 -10.180 -2.895 -8.395 1.00 2.92 H new ATOM 0 HB2 SER A 47 -9.582 -4.060 -11.146 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.239 -4.817 -9.603 1.00 3.72 H new ATOM 0 HG SER A 47 -11.216 -5.587 -10.539 1.00 4.52 H new ATOM 728 N VAL A 48 -7.876 -2.010 -8.381 1.00 2.12 N ATOM 729 CA VAL A 48 -6.543 -1.425 -8.331 1.00 1.80 C ATOM 730 C VAL A 48 -5.554 -2.331 -7.605 1.00 1.55 C ATOM 731 O VAL A 48 -5.841 -2.847 -6.525 1.00 1.97 O ATOM 732 CB VAL A 48 -6.564 -0.052 -7.635 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.281 0.714 -7.917 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.780 0.751 -8.072 1.00 3.50 C ATOM 0 H VAL A 48 -8.255 -2.279 -7.473 1.00 2.12 H new ATOM 0 HA VAL A 48 -6.219 -1.305 -9.365 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.632 -0.214 -6.559 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.317 1.681 -7.416 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.428 0.145 -7.546 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.177 0.866 -8.991 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.777 1.718 -7.569 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.747 0.903 -9.151 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.688 0.208 -7.809 1.00 3.50 H new ATOM 744 N THR A 49 -4.382 -2.502 -8.205 1.00 1.13 N ATOM 745 CA THR A 49 -3.329 -3.326 -7.625 1.00 0.98 C ATOM 746 C THR A 49 -2.123 -2.464 -7.272 1.00 0.69 C ATOM 747 O THR A 49 -1.678 -1.649 -8.080 1.00 0.71 O ATOM 748 CB THR A 49 -2.887 -4.445 -8.587 1.00 1.22 C ATOM 749 OG1 THR A 49 -2.277 -3.878 -9.753 1.00 1.28 O ATOM 750 CG2 THR A 49 -4.073 -5.304 -8.998 1.00 1.46 C ATOM 0 H THR A 49 -4.136 -2.078 -9.099 1.00 1.13 H new ATOM 0 HA THR A 49 -3.734 -3.787 -6.724 1.00 0.98 H new ATOM 0 HB THR A 49 -2.164 -5.074 -8.068 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.998 -4.596 -10.358 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.737 -6.087 -9.677 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.518 -5.758 -8.112 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.816 -4.683 -9.499 1.00 1.46 H new ATOM 758 N ILE A 50 -1.605 -2.630 -6.060 1.00 0.66 N ATOM 759 CA ILE A 50 -0.462 -1.842 -5.615 1.00 0.49 C ATOM 760 C ILE A 50 0.844 -2.613 -5.747 1.00 0.37 C ATOM 761 O ILE A 50 1.128 -3.521 -4.964 1.00 0.36 O ATOM 762 CB ILE A 50 -0.626 -1.388 -4.154 1.00 0.66 C ATOM 763 CG1 ILE A 50 -2.024 -0.808 -3.937 1.00 0.95 C ATOM 764 CG2 ILE A 50 0.444 -0.368 -3.791 1.00 0.78 C ATOM 765 CD1 ILE A 50 -2.263 0.484 -4.689 1.00 1.01 C ATOM 0 H ILE A 50 -1.955 -3.298 -5.373 1.00 0.66 H new ATOM 0 HA ILE A 50 -0.424 -0.967 -6.264 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.506 -2.253 -3.502 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -2.766 -1.543 -4.248 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -2.175 -0.633 -2.872 1.00 0.95 H new ATOM 0 HG21 ILE A 50 0.314 -0.057 -2.754 1.00 0.78 H new ATOM 0 HG22 ILE A 50 1.430 -0.816 -3.914 1.00 0.78 H new ATOM 0 HG23 ILE A 50 0.355 0.500 -4.444 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -3.274 0.839 -4.490 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -1.543 1.234 -4.361 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -2.144 0.310 -5.758 1.00 1.01 H new ATOM 777 N THR A 51 1.645 -2.225 -6.732 1.00 0.41 N ATOM 778 CA THR A 51 2.935 -2.855 -6.959 1.00 0.44 C ATOM 779 C THR A 51 4.027 -2.064 -6.253 1.00 0.40 C ATOM 780 O THR A 51 3.748 -1.058 -5.601 1.00 0.50 O ATOM 781 CB THR A 51 3.266 -2.948 -8.461 1.00 0.56 C ATOM 782 OG1 THR A 51 2.363 -2.129 -9.213 1.00 0.79 O ATOM 783 CG2 THR A 51 3.178 -4.387 -8.948 1.00 1.04 C ATOM 0 H THR A 51 1.421 -1.475 -7.386 1.00 0.41 H new ATOM 0 HA THR A 51 2.884 -3.867 -6.557 1.00 0.44 H new ATOM 0 HB THR A 51 4.286 -2.594 -8.608 1.00 0.56 H new ATOM 0 HG1 THR A 51 2.581 -2.192 -10.166 1.00 0.79 H new ATOM 0 HG21 THR A 51 3.416 -4.427 -10.011 1.00 1.04 H new ATOM 0 HG22 THR A 51 3.887 -5.002 -8.394 1.00 1.04 H new ATOM 0 HG23 THR A 51 2.168 -4.764 -8.788 1.00 1.04 H new ATOM 791 N SER A 52 5.265 -2.515 -6.378 1.00 0.49 N ATOM 792 CA SER A 52 6.382 -1.831 -5.739 1.00 0.56 C ATOM 793 C SER A 52 7.374 -1.306 -6.772 1.00 0.56 C ATOM 794 O SER A 52 8.062 -0.313 -6.532 1.00 0.66 O ATOM 795 CB SER A 52 7.091 -2.774 -4.766 1.00 0.63 C ATOM 796 OG SER A 52 8.018 -2.070 -3.958 1.00 1.36 O ATOM 0 H SER A 52 5.523 -3.345 -6.912 1.00 0.49 H new ATOM 0 HA SER A 52 5.983 -0.979 -5.188 1.00 0.56 H new ATOM 0 HB2 SER A 52 6.355 -3.269 -4.133 1.00 0.63 H new ATOM 0 HB3 SER A 52 7.609 -3.555 -5.323 1.00 0.63 H new ATOM 0 HG SER A 52 8.926 -2.385 -4.152 1.00 1.36 H new ATOM 802 N ARG A 53 7.456 -1.986 -7.915 1.00 0.54 N ATOM 803 CA ARG A 53 8.379 -1.596 -8.984 1.00 0.63 C ATOM 804 C ARG A 53 9.835 -1.662 -8.509 1.00 0.58 C ATOM 805 O ARG A 53 10.737 -1.161 -9.180 1.00 0.68 O ATOM 806 CB ARG A 53 8.081 -0.176 -9.507 1.00 0.83 C ATOM 807 CG ARG A 53 6.749 0.424 -9.061 1.00 1.39 C ATOM 808 CD ARG A 53 5.585 -0.526 -9.297 1.00 2.19 C ATOM 809 NE ARG A 53 4.570 0.058 -10.169 1.00 2.73 N ATOM 810 CZ ARG A 53 3.859 1.135 -9.851 1.00 3.54 C ATOM 811 NH1 ARG A 53 4.050 1.739 -8.687 1.00 4.04 N ATOM 812 NH2 ARG A 53 2.956 1.609 -10.699 1.00 4.23 N ATOM 0 H ARG A 53 6.894 -2.811 -8.126 1.00 0.54 H new ATOM 0 HA ARG A 53 8.232 -2.306 -9.798 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.884 0.487 -9.185 1.00 0.83 H new ATOM 0 HB3 ARG A 53 8.103 -0.197 -10.597 1.00 0.83 H new ATOM 0 HG2 ARG A 53 6.802 0.675 -8.002 1.00 1.39 H new ATOM 0 HG3 ARG A 53 6.572 1.354 -9.601 1.00 1.39 H new ATOM 0 HD2 ARG A 53 5.956 -1.450 -9.740 1.00 2.19 H new ATOM 0 HD3 ARG A 53 5.133 -0.790 -8.341 1.00 2.19 H new ATOM 0 HE ARG A 53 4.397 -0.385 -11.072 1.00 2.73 H new ATOM 0 HH11 ARG A 53 4.744 1.378 -8.033 1.00 4.04 H new ATOM 0 HH12 ARG A 53 3.503 2.565 -8.445 1.00 4.04 H new ATOM 0 HH21 ARG A 53 2.807 1.147 -11.596 1.00 4.23 H new ATOM 0 HH22 ARG A 53 2.411 2.436 -10.454 1.00 4.23 H new ATOM 826 N TYR A 54 10.055 -2.267 -7.343 1.00 0.45 N ATOM 827 CA TYR A 54 11.382 -2.384 -6.767 1.00 0.41 C ATOM 828 C TYR A 54 11.295 -3.177 -5.472 1.00 0.31 C ATOM 829 O TYR A 54 10.198 -3.481 -5.003 1.00 0.28 O ATOM 830 CB TYR A 54 11.974 -0.997 -6.500 1.00 0.50 C ATOM 831 CG TYR A 54 13.034 -0.587 -7.497 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.252 -1.252 -7.556 1.00 1.77 C ATOM 833 CD2 TYR A 54 12.816 0.465 -8.379 1.00 1.89 C ATOM 834 CE1 TYR A 54 15.223 -0.881 -8.467 1.00 2.59 C ATOM 835 CE2 TYR A 54 13.783 0.841 -9.292 1.00 2.72 C ATOM 836 CZ TYR A 54 14.984 0.166 -9.332 1.00 2.95 C ATOM 837 OH TYR A 54 15.948 0.538 -10.240 1.00 3.88 O ATOM 0 H TYR A 54 9.317 -2.687 -6.777 1.00 0.45 H new ATOM 0 HA TYR A 54 12.035 -2.903 -7.469 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.171 -0.260 -6.513 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.404 -0.982 -5.499 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.443 -2.072 -6.879 1.00 1.77 H new ATOM 0 HD2 TYR A 54 11.876 0.997 -8.350 1.00 1.89 H new ATOM 0 HE1 TYR A 54 16.165 -1.409 -8.501 1.00 2.59 H new ATOM 0 HE2 TYR A 54 13.598 1.660 -9.971 1.00 2.72 H new ATOM 0 HH TYR A 54 16.291 1.426 -10.007 1.00 3.88 H new ATOM 847 N ASP A 55 12.435 -3.498 -4.879 1.00 0.30 N ATOM 848 CA ASP A 55 12.428 -4.234 -3.627 1.00 0.24 C ATOM 849 C ASP A 55 12.549 -3.251 -2.473 1.00 0.23 C ATOM 850 O ASP A 55 13.526 -2.508 -2.377 1.00 0.28 O ATOM 851 CB ASP A 55 13.566 -5.255 -3.581 1.00 0.28 C ATOM 852 CG ASP A 55 13.712 -6.020 -4.881 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.075 -5.396 -5.900 1.00 1.33 O ATOM 854 OD2 ASP A 55 13.464 -7.244 -4.880 1.00 1.52 O ATOM 0 H ASP A 55 13.361 -3.265 -5.238 1.00 0.30 H new ATOM 0 HA ASP A 55 11.490 -4.784 -3.544 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.501 -4.742 -3.358 1.00 0.28 H new ATOM 0 HB3 ASP A 55 13.386 -5.958 -2.768 1.00 0.28 H new ATOM 859 N GLY A 56 11.529 -3.220 -1.619 1.00 0.18 N ATOM 860 CA GLY A 56 11.531 -2.283 -0.514 1.00 0.18 C ATOM 861 C GLY A 56 11.259 -2.913 0.833 1.00 0.15 C ATOM 862 O GLY A 56 10.797 -4.043 0.918 1.00 0.15 O ATOM 0 H GLY A 56 10.708 -3.823 -1.673 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.498 -1.781 -0.479 1.00 0.18 H new ATOM 0 HA3 GLY A 56 10.780 -1.515 -0.702 1.00 0.18 H new ATOM 866 N VAL A 57 11.558 -2.172 1.893 1.00 0.18 N ATOM 867 CA VAL A 57 11.355 -2.669 3.251 1.00 0.21 C ATOM 868 C VAL A 57 10.076 -2.122 3.884 1.00 0.22 C ATOM 869 O VAL A 57 9.928 -0.915 4.070 1.00 0.26 O ATOM 870 CB VAL A 57 12.549 -2.315 4.155 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.400 -2.970 5.518 1.00 1.06 C ATOM 872 CG2 VAL A 57 13.858 -2.727 3.495 1.00 1.11 C ATOM 0 H VAL A 57 11.941 -1.228 1.841 1.00 0.18 H new ATOM 0 HA VAL A 57 11.264 -3.752 3.167 1.00 0.21 H new ATOM 0 HB VAL A 57 12.566 -1.235 4.299 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.254 -2.708 6.143 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.483 -2.620 5.992 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.356 -4.053 5.399 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.692 -2.469 4.148 1.00 1.11 H new ATOM 0 HG22 VAL A 57 13.854 -3.803 3.319 1.00 1.11 H new ATOM 0 HG23 VAL A 57 13.967 -2.204 2.545 1.00 1.11 H new ATOM 882 N ILE A 58 9.166 -3.030 4.233 1.00 0.21 N ATOM 883 CA ILE A 58 7.902 -2.665 4.871 1.00 0.24 C ATOM 884 C ILE A 58 7.999 -2.901 6.373 1.00 0.33 C ATOM 885 O ILE A 58 8.321 -4.010 6.813 1.00 0.38 O ATOM 886 CB ILE A 58 6.734 -3.483 4.290 1.00 0.19 C ATOM 887 CG1 ILE A 58 6.788 -3.449 2.765 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.395 -2.954 4.780 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.063 -4.605 2.119 1.00 0.17 C ATOM 0 H ILE A 58 9.282 -4.032 4.083 1.00 0.21 H new ATOM 0 HA ILE A 58 7.711 -1.610 4.677 1.00 0.24 H new ATOM 0 HB ILE A 58 6.833 -4.513 4.632 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.353 -2.513 2.413 1.00 0.20 H new ATOM 0 HG13 ILE A 58 7.830 -3.457 2.444 1.00 0.20 H new ATOM 0 HG21 ILE A 58 4.589 -3.551 4.353 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.355 -3.016 5.868 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.279 -1.915 4.471 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.139 -4.522 1.035 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.513 -5.543 2.443 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.013 -4.585 2.412 1.00 0.17 H new ATOM 901 N LYS A 59 7.765 -1.846 7.155 1.00 0.40 N ATOM 902 CA LYS A 59 7.885 -1.940 8.609 1.00 0.53 C ATOM 903 C LYS A 59 6.550 -2.119 9.335 1.00 0.52 C ATOM 904 O LYS A 59 6.478 -2.875 10.301 1.00 0.61 O ATOM 905 CB LYS A 59 8.597 -0.700 9.152 1.00 0.65 C ATOM 906 CG LYS A 59 9.564 -1.001 10.286 1.00 0.83 C ATOM 907 CD LYS A 59 10.461 0.189 10.583 1.00 1.03 C ATOM 908 CE LYS A 59 11.212 0.010 11.892 1.00 1.51 C ATOM 909 NZ LYS A 59 12.686 -0.040 11.686 1.00 2.14 N ATOM 0 H LYS A 59 7.494 -0.925 6.809 1.00 0.40 H new ATOM 0 HA LYS A 59 8.466 -2.841 8.805 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.141 -0.219 8.339 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.851 0.013 9.502 1.00 0.65 H new ATOM 0 HG2 LYS A 59 9.004 -1.268 11.182 1.00 0.83 H new ATOM 0 HG3 LYS A 59 10.177 -1.864 10.024 1.00 0.83 H new ATOM 0 HD2 LYS A 59 11.174 0.320 9.769 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.859 1.097 10.629 1.00 1.03 H new ATOM 0 HE2 LYS A 59 10.968 0.831 12.566 1.00 1.51 H new ATOM 0 HE3 LYS A 59 10.882 -0.909 12.377 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 13.161 -0.163 12.603 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 12.923 -0.839 11.064 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 13.005 0.847 11.247 1.00 2.14 H new ATOM 923 N LYS A 60 5.504 -1.410 8.915 1.00 0.44 N ATOM 924 CA LYS A 60 4.216 -1.520 9.609 1.00 0.45 C ATOM 925 C LYS A 60 3.030 -1.626 8.655 1.00 0.37 C ATOM 926 O LYS A 60 2.921 -0.879 7.688 1.00 0.53 O ATOM 927 CB LYS A 60 3.994 -0.326 10.548 1.00 0.55 C ATOM 928 CG LYS A 60 5.254 0.464 10.874 1.00 0.76 C ATOM 929 CD LYS A 60 5.516 1.540 9.833 1.00 0.51 C ATOM 930 CE LYS A 60 6.865 2.208 10.053 1.00 0.71 C ATOM 931 NZ LYS A 60 6.727 3.537 10.710 1.00 1.35 N ATOM 0 H LYS A 60 5.516 -0.770 8.121 1.00 0.44 H new ATOM 0 HA LYS A 60 4.268 -2.445 10.184 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.266 0.346 10.094 1.00 0.55 H new ATOM 0 HB3 LYS A 60 3.557 -0.688 11.478 1.00 0.55 H new ATOM 0 HG2 LYS A 60 5.154 0.923 11.857 1.00 0.76 H new ATOM 0 HG3 LYS A 60 6.107 -0.212 10.924 1.00 0.76 H new ATOM 0 HD2 LYS A 60 5.485 1.100 8.836 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.726 2.290 9.875 1.00 0.51 H new ATOM 0 HE2 LYS A 60 7.493 1.563 10.667 1.00 0.71 H new ATOM 0 HE3 LYS A 60 7.371 2.328 9.095 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 7.504 4.157 10.405 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 5.817 3.964 10.442 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 6.763 3.419 11.743 1.00 1.35 H new ATOM 945 N LEU A 61 2.125 -2.546 8.973 1.00 0.35 N ATOM 946 CA LEU A 61 0.912 -2.759 8.191 1.00 0.37 C ATOM 947 C LEU A 61 -0.278 -2.918 9.135 1.00 0.56 C ATOM 948 O LEU A 61 -0.234 -3.719 10.068 1.00 0.94 O ATOM 949 CB LEU A 61 1.058 -3.996 7.302 1.00 0.39 C ATOM 950 CG LEU A 61 1.936 -3.805 6.063 1.00 0.33 C ATOM 951 CD1 LEU A 61 2.481 -5.140 5.584 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.150 -3.120 4.957 1.00 0.91 C ATOM 0 H LEU A 61 2.212 -3.165 9.779 1.00 0.35 H new ATOM 0 HA LEU A 61 0.746 -1.896 7.546 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.472 -4.807 7.900 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.066 -4.312 6.980 1.00 0.39 H new ATOM 0 HG LEU A 61 2.779 -3.168 6.332 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.103 -4.984 4.702 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.079 -5.593 6.374 1.00 1.14 H new ATOM 0 HD13 LEU A 61 1.652 -5.802 5.331 1.00 1.14 H new ATOM 0 HD21 LEU A 61 1.788 -2.991 4.083 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.288 -3.732 4.690 1.00 0.91 H new ATOM 0 HD23 LEU A 61 0.809 -2.145 5.304 1.00 0.91 H new ATOM 964 N TYR A 62 -1.325 -2.130 8.915 1.00 0.68 N ATOM 965 CA TYR A 62 -2.500 -2.173 9.782 1.00 0.88 C ATOM 966 C TYR A 62 -3.711 -2.812 9.103 1.00 0.75 C ATOM 967 O TYR A 62 -4.500 -3.500 9.751 1.00 0.87 O ATOM 968 CB TYR A 62 -2.855 -0.757 10.237 1.00 1.16 C ATOM 969 CG TYR A 62 -3.139 -0.646 11.718 1.00 1.24 C ATOM 970 CD1 TYR A 62 -3.940 -1.579 12.364 1.00 1.81 C ATOM 971 CD2 TYR A 62 -2.603 0.392 12.469 1.00 1.55 C ATOM 972 CE1 TYR A 62 -4.200 -1.479 13.718 1.00 2.35 C ATOM 973 CE2 TYR A 62 -2.858 0.498 13.823 1.00 2.07 C ATOM 974 CZ TYR A 62 -3.657 -0.440 14.443 1.00 2.38 C ATOM 975 OH TYR A 62 -3.915 -0.339 15.791 1.00 3.08 O ATOM 0 H TYR A 62 -1.386 -1.458 8.150 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.245 -2.796 10.640 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -2.034 -0.087 9.983 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.729 -0.415 9.682 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -4.366 -2.395 11.800 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -1.977 1.128 11.987 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -4.826 -2.212 14.206 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -2.434 1.311 14.393 1.00 2.07 H new ATOM 0 HH TYR A 62 -3.457 0.448 16.154 1.00 3.08 H new ATOM 985 N TYR A 63 -3.874 -2.564 7.808 1.00 0.64 N ATOM 986 CA TYR A 63 -5.017 -3.103 7.073 1.00 0.62 C ATOM 987 C TYR A 63 -4.713 -4.464 6.454 1.00 0.63 C ATOM 988 O TYR A 63 -3.634 -4.687 5.905 1.00 0.73 O ATOM 989 CB TYR A 63 -5.455 -2.117 5.992 1.00 0.79 C ATOM 990 CG TYR A 63 -5.822 -0.759 6.544 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.530 -0.646 7.733 1.00 1.16 C ATOM 992 CD2 TYR A 63 -5.457 0.408 5.884 1.00 1.28 C ATOM 993 CE1 TYR A 63 -6.865 0.590 8.250 1.00 1.45 C ATOM 994 CE2 TYR A 63 -5.787 1.649 6.396 1.00 1.56 C ATOM 995 CZ TYR A 63 -6.491 1.734 7.579 1.00 1.60 C ATOM 996 OH TYR A 63 -6.821 2.967 8.093 1.00 1.93 O ATOM 0 H TYR A 63 -3.236 -1.998 7.248 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.828 -3.246 7.787 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.651 -2.002 5.265 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.311 -2.529 5.458 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.824 -1.540 8.263 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -4.907 0.345 4.957 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -7.417 0.660 9.175 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -5.495 2.547 5.872 1.00 1.56 H new ATOM 0 HH TYR A 63 -7.476 3.401 7.507 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.685 -5.371 6.550 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.543 -6.715 6.004 1.00 0.67 C ATOM 1008 C ASN A 64 -6.580 -6.988 4.921 1.00 0.49 C ATOM 1009 O ASN A 64 -7.324 -6.098 4.508 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.696 -7.758 7.109 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.687 -7.578 8.225 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.510 -6.476 8.747 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -4.018 -8.662 8.599 1.00 1.03 N ATOM 0 H ASN A 64 -6.582 -5.195 7.003 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.548 -6.783 5.565 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.703 -7.699 7.522 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.585 -8.754 6.681 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -3.326 -8.602 9.346 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -4.196 -9.555 8.140 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.611 -8.235 4.473 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.532 -8.677 3.441 1.00 0.54 C ATOM 1022 C LEU A 65 -8.988 -8.351 3.780 1.00 0.66 C ATOM 1023 O LEU A 65 -9.845 -8.338 2.897 1.00 0.77 O ATOM 1024 CB LEU A 65 -7.381 -10.185 3.259 1.00 0.66 C ATOM 1025 CG LEU A 65 -6.251 -10.618 2.326 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -5.445 -11.745 2.952 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.805 -11.046 0.975 1.00 1.04 C ATOM 0 H LEU A 65 -5.994 -8.970 4.818 1.00 0.54 H new ATOM 0 HA LEU A 65 -7.285 -8.145 2.522 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -7.217 -10.638 4.237 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -8.320 -10.584 2.876 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.590 -9.766 2.171 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -4.645 -12.040 2.273 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -5.015 -11.405 3.894 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -6.097 -12.599 3.138 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.985 -11.351 0.325 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -7.490 -11.883 1.111 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -7.338 -10.211 0.519 1.00 1.04 H new ATOM 1039 N ASP A 66 -9.276 -8.119 5.057 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.646 -7.832 5.481 1.00 0.92 C ATOM 1041 C ASP A 66 -10.853 -6.366 5.862 1.00 0.87 C ATOM 1042 O ASP A 66 -11.971 -5.858 5.793 1.00 1.00 O ATOM 1043 CB ASP A 66 -11.024 -8.729 6.661 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.442 -10.119 6.221 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.646 -10.320 5.953 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -10.567 -11.006 6.144 1.00 2.33 O ATOM 0 H ASP A 66 -8.589 -8.123 5.811 1.00 0.75 H new ATOM 0 HA ASP A 66 -11.293 -8.038 4.628 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -10.176 -8.806 7.341 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -11.839 -8.267 7.218 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.789 -5.694 6.284 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.895 -4.295 6.693 1.00 0.81 C ATOM 1053 C ASP A 67 -9.997 -3.352 5.496 1.00 0.69 C ATOM 1054 O ASP A 67 -9.515 -3.654 4.397 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.704 -3.901 7.567 1.00 0.92 C ATOM 1056 CG ASP A 67 -8.357 -4.968 8.587 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.284 -5.473 9.256 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.160 -5.300 8.717 1.00 1.85 O ATOM 0 H ASP A 67 -8.851 -6.088 6.353 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.815 -4.199 7.270 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.838 -3.713 6.933 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.929 -2.968 8.084 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.629 -2.202 5.734 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.811 -1.181 4.707 1.00 0.78 C ATOM 1065 C ILE A 68 -9.878 -0.010 4.940 1.00 0.99 C ATOM 1066 O ILE A 68 -9.626 0.385 6.078 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.251 -0.628 4.669 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.262 -1.683 5.124 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.579 -0.137 3.266 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.462 -2.790 4.117 1.00 1.10 C ATOM 0 H ILE A 68 -11.027 -1.955 6.640 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.592 -1.672 3.759 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.317 0.210 5.362 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.927 -2.115 6.067 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.220 -1.199 5.317 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.597 0.252 3.245 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.883 0.653 2.985 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.493 -0.964 2.562 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.190 -3.504 4.501 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.826 -2.368 3.180 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.514 -3.298 3.942 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.378 0.551 3.854 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.485 1.687 3.935 1.00 1.34 C ATOM 1084 C ALA A 69 -9.135 2.922 3.325 1.00 1.19 C ATOM 1085 O ALA A 69 -10.030 2.812 2.474 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.170 1.369 3.244 1.00 2.16 C ATOM 0 H ALA A 69 -9.577 0.236 2.905 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.280 1.898 4.984 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.506 2.231 3.311 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.702 0.512 3.729 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.357 1.136 2.196 1.00 2.16 H new ATOM 1092 N TYR A 70 -8.675 4.092 3.759 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.197 5.363 3.265 1.00 1.38 C ATOM 1094 C TYR A 70 -8.130 6.110 2.473 1.00 1.17 C ATOM 1095 O TYR A 70 -6.952 6.089 2.827 1.00 1.21 O ATOM 1096 CB TYR A 70 -9.678 6.245 4.423 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.138 5.475 5.643 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -9.226 4.805 6.448 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -11.482 5.419 5.986 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -9.641 4.101 7.563 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -11.905 4.718 7.100 1.00 4.07 C ATOM 1102 CZ TYR A 70 -10.980 4.060 7.884 1.00 4.67 C ATOM 1103 OH TYR A 70 -11.396 3.359 8.993 1.00 5.65 O ATOM 0 H TYR A 70 -7.937 4.186 4.457 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.042 5.142 2.613 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -8.869 6.915 4.714 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -10.499 6.870 4.072 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -8.176 4.834 6.199 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -12.209 5.931 5.373 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -8.919 3.586 8.179 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -12.954 4.686 7.355 1.00 4.07 H new ATOM 0 HH TYR A 70 -12.370 3.431 9.079 1.00 5.65 H new ATOM 1113 N VAL A 71 -8.551 6.774 1.404 1.00 1.69 N ATOM 1114 CA VAL A 71 -7.630 7.532 0.567 1.00 2.02 C ATOM 1115 C VAL A 71 -7.373 8.917 1.152 1.00 2.00 C ATOM 1116 O VAL A 71 -8.297 9.595 1.601 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.173 7.684 -0.865 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -9.540 8.343 -0.846 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -7.201 8.474 -1.728 1.00 3.61 C ATOM 0 H VAL A 71 -9.523 6.803 1.096 1.00 1.69 H new ATOM 0 HA VAL A 71 -6.694 6.974 0.536 1.00 2.02 H new ATOM 0 HB VAL A 71 -8.279 6.691 -1.301 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -9.910 8.443 -1.866 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -10.231 7.730 -0.268 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -9.462 9.330 -0.390 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -7.604 8.570 -2.736 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -7.057 9.466 -1.299 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -6.244 7.954 -1.768 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.111 9.330 1.144 1.00 1.84 N ATOM 1130 CA GLY A 72 -5.754 10.631 1.678 1.00 1.87 C ATOM 1131 C GLY A 72 -4.751 10.538 2.810 1.00 1.57 C ATOM 1132 O GLY A 72 -4.084 11.520 3.138 1.00 1.63 O ATOM 0 H GLY A 72 -5.329 8.788 0.777 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -5.340 11.247 0.880 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -6.653 11.133 2.034 1.00 1.87 H new ATOM 1136 N LYS A 73 -4.641 9.356 3.409 1.00 1.31 N ATOM 1137 CA LYS A 73 -3.710 9.145 4.510 1.00 1.09 C ATOM 1138 C LYS A 73 -2.968 7.818 4.349 1.00 0.83 C ATOM 1139 O LYS A 73 -3.591 6.775 4.148 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.460 9.158 5.843 1.00 1.27 C ATOM 1141 CG LYS A 73 -3.587 9.533 7.028 1.00 1.59 C ATOM 1142 CD LYS A 73 -3.559 11.038 7.242 1.00 1.98 C ATOM 1143 CE LYS A 73 -2.888 11.400 8.556 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.807 12.144 9.460 1.00 2.96 N ATOM 0 H LYS A 73 -5.184 8.532 3.151 1.00 1.31 H new ATOM 0 HA LYS A 73 -2.980 9.955 4.498 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.290 9.862 5.777 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.891 8.172 6.017 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -3.961 9.043 7.927 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -2.573 9.168 6.865 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -3.028 11.514 6.418 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -4.577 11.427 7.233 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -2.547 10.491 9.052 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -2.004 12.006 8.358 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -3.313 12.373 10.346 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -4.113 13.024 8.997 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -4.639 11.556 9.670 1.00 2.96 H new ATOM 1158 N PRO A 74 -1.625 7.831 4.441 1.00 0.75 N ATOM 1159 CA PRO A 74 -0.817 6.614 4.308 1.00 0.64 C ATOM 1160 C PRO A 74 -1.140 5.592 5.388 1.00 0.53 C ATOM 1161 O PRO A 74 -1.590 5.946 6.478 1.00 0.75 O ATOM 1162 CB PRO A 74 0.626 7.106 4.462 1.00 0.77 C ATOM 1163 CG PRO A 74 0.567 8.575 4.215 1.00 0.87 C ATOM 1164 CD PRO A 74 -0.789 9.019 4.680 1.00 0.91 C ATOM 0 HA PRO A 74 -1.005 6.110 3.360 1.00 0.64 H new ATOM 0 HB2 PRO A 74 1.012 6.889 5.458 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.288 6.613 3.750 1.00 0.77 H new ATOM 0 HG2 PRO A 74 1.356 9.094 4.760 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.709 8.799 3.158 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -0.782 9.303 5.732 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.145 9.883 4.119 1.00 0.91 H new ATOM 1172 N LEU A 75 -0.912 4.323 5.078 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.184 3.250 6.024 1.00 0.49 C ATOM 1174 C LEU A 75 0.080 2.461 6.356 1.00 0.46 C ATOM 1175 O LEU A 75 0.173 1.855 7.423 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.250 2.306 5.464 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.834 1.536 4.207 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.810 0.036 4.470 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.767 1.859 3.048 1.00 1.32 C ATOM 0 H LEU A 75 -0.540 4.012 4.181 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.550 3.707 6.943 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.522 1.589 6.238 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.145 2.886 5.238 1.00 0.64 H new ATOM 0 HG LEU A 75 -0.825 1.849 3.937 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.512 -0.488 3.562 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.098 -0.183 5.266 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.803 -0.297 4.771 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.455 1.303 2.164 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.787 1.579 3.313 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -2.728 2.928 2.836 1.00 1.32 H new ATOM 1191 N VAL A 76 1.047 2.453 5.440 1.00 0.32 N ATOM 1192 CA VAL A 76 2.284 1.710 5.666 1.00 0.29 C ATOM 1193 C VAL A 76 3.515 2.462 5.166 1.00 0.27 C ATOM 1194 O VAL A 76 3.471 3.144 4.142 1.00 0.35 O ATOM 1195 CB VAL A 76 2.232 0.328 4.977 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.905 0.483 3.500 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.546 -0.425 5.160 1.00 0.47 C ATOM 0 H VAL A 76 1.000 2.945 4.548 1.00 0.32 H new ATOM 0 HA VAL A 76 2.370 1.586 6.745 1.00 0.29 H new ATOM 0 HB VAL A 76 1.442 -0.256 5.448 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.872 -0.500 3.030 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.936 0.970 3.391 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.672 1.090 3.019 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.482 -1.394 4.665 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.360 0.153 4.722 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.736 -0.572 6.223 1.00 0.47 H new ATOM 1207 N ASP A 77 4.625 2.291 5.884 1.00 0.30 N ATOM 1208 CA ASP A 77 5.888 2.908 5.505 1.00 0.41 C ATOM 1209 C ASP A 77 6.748 1.871 4.799 1.00 0.38 C ATOM 1210 O ASP A 77 6.927 0.756 5.296 1.00 0.41 O ATOM 1211 CB ASP A 77 6.633 3.460 6.720 1.00 0.58 C ATOM 1212 CG ASP A 77 5.709 4.100 7.742 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.678 3.485 8.085 1.00 1.10 O ATOM 1214 OD2 ASP A 77 6.020 5.219 8.201 1.00 0.87 O ATOM 0 H ASP A 77 4.671 1.728 6.733 1.00 0.30 H new ATOM 0 HA ASP A 77 5.679 3.746 4.840 1.00 0.41 H new ATOM 0 HB2 ASP A 77 7.189 2.652 7.196 1.00 0.58 H new ATOM 0 HB3 ASP A 77 7.364 4.197 6.387 1.00 0.58 H new ATOM 1219 N ILE A 78 7.250 2.224 3.629 1.00 0.44 N ATOM 1220 CA ILE A 78 8.056 1.301 2.842 1.00 0.42 C ATOM 1221 C ILE A 78 9.276 1.994 2.258 1.00 0.41 C ATOM 1222 O ILE A 78 9.206 3.145 1.853 1.00 0.51 O ATOM 1223 CB ILE A 78 7.234 0.688 1.683 1.00 0.42 C ATOM 1224 CG1 ILE A 78 5.731 0.715 2.003 1.00 0.53 C ATOM 1225 CG2 ILE A 78 7.696 -0.733 1.403 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.103 2.085 1.849 1.00 0.86 C ATOM 0 H ILE A 78 7.116 3.140 3.202 1.00 0.44 H new ATOM 0 HA ILE A 78 8.378 0.509 3.519 1.00 0.42 H new ATOM 0 HB ILE A 78 7.399 1.290 0.790 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.216 0.013 1.348 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.579 0.368 3.025 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.109 -1.152 0.586 1.00 0.48 H new ATOM 0 HG22 ILE A 78 8.750 -0.725 1.126 1.00 0.48 H new ATOM 0 HG23 ILE A 78 7.560 -1.342 2.296 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.042 2.028 2.091 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.592 2.787 2.524 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.223 2.427 0.821 1.00 0.86 H new ATOM 1238 N GLU A 79 10.394 1.287 2.195 1.00 0.29 N ATOM 1239 CA GLU A 79 11.605 1.868 1.638 1.00 0.29 C ATOM 1240 C GLU A 79 11.768 1.438 0.191 1.00 0.47 C ATOM 1241 O GLU A 79 11.949 0.262 -0.092 1.00 0.79 O ATOM 1242 CB GLU A 79 12.825 1.439 2.452 1.00 0.62 C ATOM 1243 CG GLU A 79 13.682 2.602 2.915 1.00 0.92 C ATOM 1244 CD GLU A 79 14.467 2.283 4.173 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.458 1.108 4.595 1.00 1.09 O ATOM 1246 OE2 GLU A 79 15.090 3.208 4.735 1.00 1.39 O ATOM 0 H GLU A 79 10.488 0.324 2.518 1.00 0.29 H new ATOM 0 HA GLU A 79 11.523 2.954 1.680 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.491 0.875 3.323 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.435 0.765 1.850 1.00 0.62 H new ATOM 0 HG2 GLU A 79 14.374 2.878 2.119 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.045 3.468 3.098 1.00 0.92 H new ATOM 1253 N THR A 80 11.694 2.404 -0.717 1.00 0.64 N ATOM 1254 CA THR A 80 11.818 2.134 -2.145 1.00 1.05 C ATOM 1255 C THR A 80 12.646 3.216 -2.829 1.00 1.00 C ATOM 1256 O THR A 80 12.766 4.331 -2.320 1.00 1.22 O ATOM 1257 CB THR A 80 10.437 2.052 -2.828 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.512 2.927 -2.172 1.00 2.39 O ATOM 1259 CG2 THR A 80 9.893 0.627 -2.809 1.00 1.18 C ATOM 0 H THR A 80 11.548 3.387 -0.488 1.00 0.64 H new ATOM 0 HA THR A 80 12.318 1.171 -2.245 1.00 1.05 H new ATOM 0 HB THR A 80 10.559 2.359 -3.867 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.731 3.069 -2.747 1.00 2.39 H new ATOM 0 HG21 THR A 80 8.919 0.603 -3.298 1.00 1.18 H new ATOM 0 HG22 THR A 80 10.581 -0.032 -3.338 1.00 1.18 H new ATOM 0 HG23 THR A 80 9.790 0.291 -1.777 1.00 1.18 H new ATOM 1267 N GLU A 81 13.220 2.886 -3.980 1.00 1.27 N ATOM 1268 CA GLU A 81 14.038 3.839 -4.719 1.00 1.30 C ATOM 1269 C GLU A 81 13.245 5.106 -5.021 1.00 1.99 C ATOM 1270 O GLU A 81 12.018 5.075 -5.114 1.00 2.56 O ATOM 1271 CB GLU A 81 14.530 3.214 -6.026 1.00 1.53 C ATOM 1272 CG GLU A 81 15.935 2.639 -5.938 1.00 1.62 C ATOM 1273 CD GLU A 81 16.623 2.575 -7.288 1.00 2.40 C ATOM 1274 OE1 GLU A 81 15.913 2.538 -8.315 1.00 3.13 O ATOM 1275 OE2 GLU A 81 17.872 2.560 -7.318 1.00 2.85 O ATOM 0 H GLU A 81 13.135 1.970 -4.420 1.00 1.27 H new ATOM 0 HA GLU A 81 14.898 4.101 -4.102 1.00 1.30 H new ATOM 0 HB2 GLU A 81 13.841 2.423 -6.322 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.505 3.969 -6.812 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.531 3.248 -5.259 1.00 1.62 H new ATOM 0 HG3 GLU A 81 15.888 1.638 -5.510 1.00 1.62 H new ATOM 1282 N ALA A 82 13.956 6.224 -5.164 1.00 2.01 N ATOM 1283 CA ALA A 82 13.327 7.515 -5.444 1.00 2.67 C ATOM 1284 C ALA A 82 12.185 7.386 -6.449 1.00 3.02 C ATOM 1285 O ALA A 82 12.409 7.115 -7.629 1.00 3.10 O ATOM 1286 CB ALA A 82 14.364 8.504 -5.953 1.00 2.85 C ATOM 0 H ALA A 82 14.973 6.262 -5.090 1.00 2.01 H new ATOM 0 HA ALA A 82 12.903 7.884 -4.510 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.884 9.461 -6.158 1.00 2.85 H new ATOM 0 HB2 ALA A 82 15.138 8.640 -5.198 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.814 8.120 -6.869 1.00 2.85 H new ATOM 1292 N LEU A 83 10.962 7.583 -5.969 1.00 3.31 N ATOM 1293 CA LEU A 83 9.783 7.491 -6.819 1.00 3.73 C ATOM 1294 C LEU A 83 9.012 8.806 -6.825 1.00 4.31 C ATOM 1295 O LEU A 83 8.777 9.408 -5.777 1.00 4.31 O ATOM 1296 CB LEU A 83 8.879 6.351 -6.346 1.00 3.56 C ATOM 1297 CG LEU A 83 8.594 5.275 -7.395 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.675 4.203 -7.370 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.223 4.658 -7.164 1.00 3.60 C ATOM 0 H LEU A 83 10.762 7.808 -4.994 1.00 3.31 H new ATOM 0 HA LEU A 83 10.112 7.284 -7.837 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.339 5.878 -5.478 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.931 6.773 -6.013 1.00 3.56 H new ATOM 0 HG LEU A 83 8.600 5.743 -8.379 1.00 3.51 H new ATOM 0 HD11 LEU A 83 9.455 3.446 -8.123 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.643 4.657 -7.584 1.00 3.49 H new ATOM 0 HD13 LEU A 83 9.703 3.737 -6.385 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.036 3.894 -7.919 1.00 3.60 H new ATOM 0 HD22 LEU A 83 7.190 4.205 -6.173 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.459 5.432 -7.234 1.00 3.60 H new