USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 28 MET CE :methyl -135:sc= -0.9 (180deg=-0.856) USER MOD Set 1.2: A 33 SER OG : rot 180:sc= -0.621 USER MOD Single : A 9 THR OG1 : rot -21:sc= 0.732 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.0134 (180deg=0) USER MOD Single : A 13 TYR OH : rot 123:sc= 0.0979 USER MOD Single : A 16 ASN : amide:sc= -3.19! K(o=-3.2!,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.414 K(o=0.41,f=-3.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.12 K(o=-2.1,f=-5.7!) USER MOD Single : A 45 GLN : amide:sc= -2.16 K(o=-2.2,f=-5.9!) USER MOD Single : A 47 CYS SG : rot -70:sc= -0.317 USER MOD Single : A 48 CYS SG : rot 25:sc= -6.63! USER MOD Single : A 51 TYR OH : rot -130:sc= -1.64! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.0144 USER MOD Single : A 65 THR OG1 : rot -94:sc= -4.28! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.443 -5.342 0.535 1.00 0.00 N ATOM 74 CA THR A 9 11.597 -4.170 0.388 1.00 0.00 C ATOM 75 C THR A 9 10.274 -4.547 -0.282 1.00 0.00 C ATOM 76 O THR A 9 10.103 -5.679 -0.730 1.00 0.00 O ATOM 77 CB THR A 9 12.388 -3.110 -0.382 1.00 0.00 C ATOM 78 OG1 THR A 9 13.013 -3.840 -1.434 1.00 0.00 O ATOM 79 CG2 THR A 9 13.557 -2.548 0.429 1.00 0.00 C ATOM 0 HA THR A 9 11.326 -3.754 1.358 1.00 0.00 H new ATOM 0 HB THR A 9 11.722 -2.296 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.052 -4.790 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.085 -1.800 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.179 -2.087 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.242 -3.356 0.688 1.00 0.00 H new ATOM 87 N VAL A 10 9.374 -3.577 -0.328 1.00 0.00 N ATOM 88 CA VAL A 10 8.072 -3.793 -0.936 1.00 0.00 C ATOM 89 C VAL A 10 7.690 -2.564 -1.764 1.00 0.00 C ATOM 90 O VAL A 10 7.965 -1.433 -1.367 1.00 0.00 O ATOM 91 CB VAL A 10 7.040 -4.130 0.143 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.648 -4.311 -0.467 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.459 -5.372 0.932 1.00 0.00 C ATOM 0 H VAL A 10 9.520 -2.639 0.046 1.00 0.00 H new ATOM 0 HA VAL A 10 8.104 -4.645 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 10 6.994 -3.291 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.934 -4.550 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.346 -3.389 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.672 -5.123 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.709 -5.590 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.546 -6.221 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.421 -5.191 1.412 1.00 0.00 H new ATOM 103 N LYS A 11 7.062 -2.829 -2.901 1.00 0.00 N ATOM 104 CA LYS A 11 6.640 -1.759 -3.789 1.00 0.00 C ATOM 105 C LYS A 11 5.244 -1.285 -3.381 1.00 0.00 C ATOM 106 O LYS A 11 4.339 -2.097 -3.193 1.00 0.00 O ATOM 107 CB LYS A 11 6.736 -2.205 -5.249 1.00 0.00 C ATOM 108 CG LYS A 11 8.196 -2.348 -5.684 1.00 0.00 C ATOM 109 CD LYS A 11 8.372 -3.535 -6.633 1.00 0.00 C ATOM 110 CE LYS A 11 8.791 -3.065 -8.027 1.00 0.00 C ATOM 111 NZ LYS A 11 8.162 -3.908 -9.069 1.00 0.00 N ATOM 0 H LYS A 11 6.836 -3.769 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 11 7.308 -0.902 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.220 -3.156 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.232 -1.480 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.524 -1.432 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.829 -2.482 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.124 -4.216 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.439 -4.094 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.501 -2.024 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.876 -3.109 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.243 -3.436 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.643 -4.829 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.158 -4.051 -8.840 1.00 0.00 H new ATOM 125 N VAL A 12 5.112 0.028 -3.257 1.00 0.00 N ATOM 126 CA VAL A 12 3.841 0.620 -2.875 1.00 0.00 C ATOM 127 C VAL A 12 3.333 1.505 -4.015 1.00 0.00 C ATOM 128 O VAL A 12 3.964 2.503 -4.359 1.00 0.00 O ATOM 129 CB VAL A 12 3.991 1.375 -1.553 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.715 2.148 -1.215 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.372 0.422 -0.418 1.00 0.00 C ATOM 0 H VAL A 12 5.864 0.698 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 12 3.094 -0.155 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 12 4.799 2.097 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.849 2.676 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.505 2.868 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.881 1.452 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.472 0.984 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.596 -0.335 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.319 -0.063 -0.653 1.00 0.00 H new ATOM 141 N TYR A 13 2.197 1.108 -4.569 1.00 0.00 N ATOM 142 CA TYR A 13 1.597 1.853 -5.662 1.00 0.00 C ATOM 143 C TYR A 13 0.652 2.935 -5.135 1.00 0.00 C ATOM 144 O TYR A 13 -0.404 2.628 -4.585 1.00 0.00 O ATOM 145 CB TYR A 13 0.788 0.837 -6.471 1.00 0.00 C ATOM 146 CG TYR A 13 1.638 -0.051 -7.383 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.551 0.520 -8.246 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.492 -1.422 -7.341 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.350 -0.315 -9.104 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.291 -2.258 -8.199 1.00 0.00 C ATOM 151 CZ TYR A 13 3.181 -1.663 -9.038 1.00 0.00 C ATOM 152 OH TYR A 13 3.937 -2.452 -9.848 1.00 0.00 O ATOM 0 H TYR A 13 1.676 0.280 -4.281 1.00 0.00 H new ATOM 0 HA TYR A 13 2.366 2.346 -6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.228 0.203 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.058 1.371 -7.079 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.666 1.593 -8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.778 -1.868 -6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.067 0.119 -9.785 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.186 -3.333 -8.177 1.00 0.00 H new ATOM 0 HH TYR A 13 4.443 -3.091 -9.303 1.00 0.00 H new ATOM 162 N LEU A 14 1.067 4.180 -5.322 1.00 0.00 N ATOM 163 CA LEU A 14 0.271 5.309 -4.872 1.00 0.00 C ATOM 164 C LEU A 14 -0.788 5.633 -5.927 1.00 0.00 C ATOM 165 O LEU A 14 -0.678 5.205 -7.075 1.00 0.00 O ATOM 166 CB LEU A 14 1.173 6.494 -4.522 1.00 0.00 C ATOM 167 CG LEU A 14 1.781 6.483 -3.118 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.047 7.340 -3.061 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.751 6.912 -2.071 1.00 0.00 C ATOM 0 H LEU A 14 1.944 4.431 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.260 5.059 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.985 6.533 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.596 7.411 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 14 2.074 5.460 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.458 7.315 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.783 6.949 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.803 8.368 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.209 6.895 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.405 7.921 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.095 6.225 -2.090 1.00 0.00 H new ATOM 181 N PRO A 15 -1.817 6.408 -5.490 1.00 0.00 N ATOM 182 CA PRO A 15 -2.896 6.794 -6.383 1.00 0.00 C ATOM 183 C PRO A 15 -2.440 7.887 -7.352 1.00 0.00 C ATOM 184 O PRO A 15 -3.202 8.310 -8.220 1.00 0.00 O ATOM 185 CB PRO A 15 -4.023 7.245 -5.468 1.00 0.00 C ATOM 186 CG PRO A 15 -3.377 7.534 -4.123 1.00 0.00 C ATOM 187 CD PRO A 15 -1.980 6.934 -4.138 1.00 0.00 C ATOM 0 HA PRO A 15 -3.225 5.976 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.516 8.133 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.786 6.471 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.329 8.608 -3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.969 7.104 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.224 7.686 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.879 6.146 -3.392 1.00 0.00 H new ATOM 195 N ASN A 16 -1.198 8.314 -7.171 1.00 0.00 N ATOM 196 CA ASN A 16 -0.632 9.349 -8.019 1.00 0.00 C ATOM 197 C ASN A 16 0.150 8.697 -9.161 1.00 0.00 C ATOM 198 O ASN A 16 1.210 9.184 -9.550 1.00 0.00 O ATOM 199 CB ASN A 16 0.334 10.237 -7.232 1.00 0.00 C ATOM 200 CG ASN A 16 0.128 11.713 -7.578 1.00 0.00 C ATOM 201 OD1 ASN A 16 -0.694 12.404 -7.000 1.00 0.00 O ATOM 202 ND2 ASN A 16 0.918 12.156 -8.552 1.00 0.00 N ATOM 0 H ASN A 16 -0.569 7.962 -6.450 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.452 9.957 -8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.183 10.086 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.361 9.948 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.856 13.128 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.585 11.524 -8.994 1.00 0.00 H new ATOM 209 N LYS A 17 -0.404 7.604 -9.666 1.00 0.00 N ATOM 210 CA LYS A 17 0.227 6.880 -10.756 1.00 0.00 C ATOM 211 C LYS A 17 1.723 6.738 -10.468 1.00 0.00 C ATOM 212 O LYS A 17 2.529 6.629 -11.392 1.00 0.00 O ATOM 213 CB LYS A 17 -0.081 7.552 -12.095 1.00 0.00 C ATOM 214 CG LYS A 17 -1.515 7.256 -12.540 1.00 0.00 C ATOM 215 CD LYS A 17 -1.739 7.688 -13.990 1.00 0.00 C ATOM 216 CE LYS A 17 -2.214 9.141 -14.062 1.00 0.00 C ATOM 217 NZ LYS A 17 -1.090 10.035 -14.420 1.00 0.00 N ATOM 0 H LYS A 17 -1.283 7.203 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.181 5.872 -10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.061 8.629 -12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.619 7.199 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.718 6.190 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.217 7.777 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.813 7.576 -14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.477 7.037 -14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.010 9.234 -14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.634 9.441 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.428 11.017 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.343 9.959 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.708 9.758 -15.347 1.00 0.00 H new ATOM 231 N GLN A 18 2.051 6.745 -9.185 1.00 0.00 N ATOM 232 CA GLN A 18 3.436 6.619 -8.764 1.00 0.00 C ATOM 233 C GLN A 18 3.603 5.408 -7.845 1.00 0.00 C ATOM 234 O GLN A 18 2.618 4.814 -7.408 1.00 0.00 O ATOM 235 CB GLN A 18 3.919 7.899 -8.079 1.00 0.00 C ATOM 236 CG GLN A 18 4.268 8.975 -9.109 1.00 0.00 C ATOM 237 CD GLN A 18 5.551 9.711 -8.719 1.00 0.00 C ATOM 238 OE1 GLN A 18 5.545 10.880 -8.369 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.649 8.965 -8.798 1.00 0.00 N ATOM 0 H GLN A 18 1.381 6.836 -8.422 1.00 0.00 H new ATOM 0 HA GLN A 18 4.053 6.466 -9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.145 8.271 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.794 7.680 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.391 8.518 -10.091 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.446 9.687 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.584 7.992 -9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.556 9.365 -8.558 1.00 0.00 H new ATOM 248 N ARG A 19 4.858 5.076 -7.579 1.00 0.00 N ATOM 249 CA ARG A 19 5.167 3.946 -6.720 1.00 0.00 C ATOM 250 C ARG A 19 6.382 4.262 -5.844 1.00 0.00 C ATOM 251 O ARG A 19 7.259 5.025 -6.245 1.00 0.00 O ATOM 252 CB ARG A 19 5.455 2.690 -7.544 1.00 0.00 C ATOM 253 CG ARG A 19 6.522 2.963 -8.606 1.00 0.00 C ATOM 254 CD ARG A 19 5.883 3.243 -9.967 1.00 0.00 C ATOM 255 NE ARG A 19 6.446 4.483 -10.546 1.00 0.00 N ATOM 256 CZ ARG A 19 6.057 5.011 -11.714 1.00 0.00 C ATOM 257 NH1 ARG A 19 5.100 4.411 -12.435 1.00 0.00 N ATOM 258 NH2 ARG A 19 6.625 6.140 -12.161 1.00 0.00 N ATOM 0 H ARG A 19 5.673 5.570 -7.943 1.00 0.00 H new ATOM 0 HA ARG A 19 4.297 3.762 -6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.789 1.888 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.538 2.348 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.131 3.815 -8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.190 2.105 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.060 2.404 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.803 3.341 -9.857 1.00 0.00 H new ATOM 0 HE ARG A 19 7.176 4.966 -10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.668 3.552 -12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.804 4.813 -13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.353 6.597 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.329 6.542 -13.050 1.00 0.00 H new ATOM 272 N THR A 20 6.393 3.659 -4.664 1.00 0.00 N ATOM 273 CA THR A 20 7.485 3.866 -3.728 1.00 0.00 C ATOM 274 C THR A 20 7.827 2.559 -3.010 1.00 0.00 C ATOM 275 O THR A 20 6.936 1.852 -2.543 1.00 0.00 O ATOM 276 CB THR A 20 7.084 4.995 -2.777 1.00 0.00 C ATOM 277 OG1 THR A 20 8.321 5.444 -2.230 1.00 0.00 O ATOM 278 CG2 THR A 20 6.303 4.489 -1.563 1.00 0.00 C ATOM 0 H THR A 20 5.663 3.027 -4.335 1.00 0.00 H new ATOM 0 HA THR A 20 8.397 4.165 -4.244 1.00 0.00 H new ATOM 0 HB THR A 20 6.483 5.727 -3.316 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.154 6.178 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.043 5.331 -0.921 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.392 3.993 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.917 3.782 -1.004 1.00 0.00 H new ATOM 286 N VAL A 21 9.120 2.278 -2.944 1.00 0.00 N ATOM 287 CA VAL A 21 9.591 1.069 -2.291 1.00 0.00 C ATOM 288 C VAL A 21 9.849 1.361 -0.811 1.00 0.00 C ATOM 289 O VAL A 21 10.529 2.330 -0.475 1.00 0.00 O ATOM 290 CB VAL A 21 10.824 0.528 -3.017 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.053 -0.948 -2.684 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.706 0.737 -4.528 1.00 0.00 C ATOM 0 H VAL A 21 9.856 2.867 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 21 8.832 0.288 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 21 11.691 1.089 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.936 -1.308 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.203 -1.060 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.184 -1.529 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.595 0.344 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.824 0.215 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.614 1.802 -4.742 1.00 0.00 H new ATOM 302 N VAL A 22 9.292 0.506 0.034 1.00 0.00 N ATOM 303 CA VAL A 22 9.453 0.661 1.470 1.00 0.00 C ATOM 304 C VAL A 22 10.114 -0.595 2.042 1.00 0.00 C ATOM 305 O VAL A 22 9.993 -1.679 1.474 1.00 0.00 O ATOM 306 CB VAL A 22 8.103 0.973 2.117 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.280 1.405 3.574 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.345 2.036 1.319 1.00 0.00 C ATOM 0 H VAL A 22 8.729 -0.296 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 22 10.107 1.504 1.693 1.00 0.00 H new ATOM 0 HB VAL A 22 7.508 0.059 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.305 1.621 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.759 0.603 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.902 2.299 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.389 2.239 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.934 2.952 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.171 1.675 0.305 1.00 0.00 H new ATOM 318 N THR A 23 10.800 -0.406 3.160 1.00 0.00 N ATOM 319 CA THR A 23 11.480 -1.510 3.816 1.00 0.00 C ATOM 320 C THR A 23 10.473 -2.395 4.553 1.00 0.00 C ATOM 321 O THR A 23 9.492 -1.898 5.104 1.00 0.00 O ATOM 322 CB THR A 23 12.559 -0.925 4.730 1.00 0.00 C ATOM 323 OG1 THR A 23 13.283 -0.034 3.886 1.00 0.00 O ATOM 324 CG2 THR A 23 13.597 -1.966 5.152 1.00 0.00 C ATOM 0 H THR A 23 10.899 0.495 3.628 1.00 0.00 H new ATOM 0 HA THR A 23 11.967 -2.162 3.090 1.00 0.00 H new ATOM 0 HB THR A 23 12.091 -0.500 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.002 0.391 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.339 -1.498 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.103 -2.774 5.691 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.090 -2.368 4.267 1.00 0.00 H new ATOM 332 N VAL A 24 10.752 -3.690 4.541 1.00 0.00 N ATOM 333 CA VAL A 24 9.882 -4.649 5.201 1.00 0.00 C ATOM 334 C VAL A 24 10.352 -4.846 6.644 1.00 0.00 C ATOM 335 O VAL A 24 11.405 -5.435 6.883 1.00 0.00 O ATOM 336 CB VAL A 24 9.840 -5.953 4.403 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.569 -6.746 4.716 1.00 0.00 C ATOM 338 CG2 VAL A 24 9.961 -5.682 2.902 1.00 0.00 C ATOM 0 H VAL A 24 11.568 -4.098 4.085 1.00 0.00 H new ATOM 0 HA VAL A 24 8.859 -4.275 5.239 1.00 0.00 H new ATOM 0 HB VAL A 24 10.696 -6.558 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.564 -7.669 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.542 -6.986 5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.695 -6.149 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.928 -6.626 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.135 -5.048 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.906 -5.178 2.698 1.00 0.00 H new ATOM 348 N ARG A 25 9.547 -4.342 7.569 1.00 0.00 N ATOM 349 CA ARG A 25 9.867 -4.455 8.981 1.00 0.00 C ATOM 350 C ARG A 25 8.850 -5.356 9.685 1.00 0.00 C ATOM 351 O ARG A 25 7.644 -5.207 9.491 1.00 0.00 O ATOM 352 CB ARG A 25 9.875 -3.082 9.656 1.00 0.00 C ATOM 353 CG ARG A 25 10.436 -2.013 8.717 1.00 0.00 C ATOM 354 CD ARG A 25 10.975 -0.818 9.507 1.00 0.00 C ATOM 355 NE ARG A 25 12.330 -0.465 9.029 1.00 0.00 N ATOM 356 CZ ARG A 25 13.428 -1.192 9.279 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.337 -2.316 10.004 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.617 -0.795 8.805 1.00 0.00 N ATOM 0 H ARG A 25 8.674 -3.855 7.367 1.00 0.00 H new ATOM 0 HA ARG A 25 10.862 -4.892 9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.862 -2.814 9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.475 -3.123 10.565 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.233 -2.440 8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.656 -1.679 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.306 0.035 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.006 -1.058 10.570 1.00 0.00 H new ATOM 0 HE ARG A 25 12.435 0.385 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.432 -2.618 10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.173 -2.869 10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.686 0.061 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.452 -1.348 8.995 1.00 0.00 H new ATOM 372 N ASP A 26 9.373 -6.272 10.487 1.00 0.00 N ATOM 373 CA ASP A 26 8.526 -7.197 11.221 1.00 0.00 C ATOM 374 C ASP A 26 8.336 -6.684 12.650 1.00 0.00 C ATOM 375 O ASP A 26 8.519 -7.430 13.610 1.00 0.00 O ATOM 376 CB ASP A 26 9.163 -8.585 11.297 1.00 0.00 C ATOM 377 CG ASP A 26 9.320 -9.300 9.954 1.00 0.00 C ATOM 378 OD1 ASP A 26 8.285 -9.454 9.269 1.00 0.00 O ATOM 379 OD2 ASP A 26 10.470 -9.676 9.642 1.00 0.00 O ATOM 0 H ASP A 26 10.373 -6.393 10.645 1.00 0.00 H new ATOM 0 HA ASP A 26 7.572 -7.267 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.146 -8.492 11.759 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.559 -9.210 11.955 1.00 0.00 H new ATOM 384 N GLY A 27 7.971 -5.413 12.745 1.00 0.00 N ATOM 385 CA GLY A 27 7.754 -4.792 14.040 1.00 0.00 C ATOM 386 C GLY A 27 7.000 -3.469 13.895 1.00 0.00 C ATOM 387 O GLY A 27 7.294 -2.503 14.596 1.00 0.00 O ATOM 0 H GLY A 27 7.820 -4.797 11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.189 -5.468 14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.713 -4.617 14.528 1.00 0.00 H new ATOM 391 N MET A 28 6.042 -3.469 12.979 1.00 0.00 N ATOM 392 CA MET A 28 5.244 -2.280 12.732 1.00 0.00 C ATOM 393 C MET A 28 4.027 -2.607 11.864 1.00 0.00 C ATOM 394 O MET A 28 4.082 -3.508 11.028 1.00 0.00 O ATOM 395 CB MET A 28 6.102 -1.224 12.033 1.00 0.00 C ATOM 396 CG MET A 28 6.306 -1.574 10.557 1.00 0.00 C ATOM 397 SD MET A 28 7.629 -0.588 9.874 1.00 0.00 S ATOM 398 CE MET A 28 6.741 0.920 9.521 1.00 0.00 C ATOM 0 H MET A 28 5.801 -4.273 12.399 1.00 0.00 H new ATOM 0 HA MET A 28 4.891 -1.897 13.690 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.624 -0.248 12.117 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.069 -1.149 12.530 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.541 -2.634 10.455 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.385 -1.397 10.002 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.012 1.278 8.528 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.669 0.728 9.557 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.999 1.676 10.262 1.00 0.00 H new ATOM 408 N SER A 29 2.959 -1.858 12.092 1.00 0.00 N ATOM 409 CA SER A 29 1.731 -2.057 11.340 1.00 0.00 C ATOM 410 C SER A 29 1.898 -1.526 9.915 1.00 0.00 C ATOM 411 O SER A 29 3.000 -1.158 9.511 1.00 0.00 O ATOM 412 CB SER A 29 0.548 -1.372 12.027 1.00 0.00 C ATOM 413 OG SER A 29 0.545 -1.595 13.434 1.00 0.00 O ATOM 0 H SER A 29 2.918 -1.112 12.787 1.00 0.00 H new ATOM 0 HA SER A 29 1.524 -3.126 11.300 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.585 -0.301 11.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.384 -1.743 11.599 1.00 0.00 H new ATOM 0 HG SER A 29 -0.224 -1.140 13.836 1.00 0.00 H new ATOM 419 N VAL A 30 0.788 -1.504 9.193 1.00 0.00 N ATOM 420 CA VAL A 30 0.797 -1.024 7.821 1.00 0.00 C ATOM 421 C VAL A 30 0.585 0.491 7.814 1.00 0.00 C ATOM 422 O VAL A 30 1.131 1.194 6.965 1.00 0.00 O ATOM 423 CB VAL A 30 -0.248 -1.778 6.996 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.365 -1.188 5.589 1.00 0.00 C ATOM 425 CG2 VAL A 30 0.073 -3.273 6.939 1.00 0.00 C ATOM 0 H VAL A 30 -0.124 -1.811 9.532 1.00 0.00 H new ATOM 0 HA VAL A 30 1.762 -1.219 7.354 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.213 -1.661 7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.114 -1.742 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.662 -0.141 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.598 -1.260 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.685 -3.786 6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.051 -3.418 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.082 -3.682 7.949 1.00 0.00 H new ATOM 435 N TYR A 31 -0.210 0.950 8.770 1.00 0.00 N ATOM 436 CA TYR A 31 -0.501 2.369 8.884 1.00 0.00 C ATOM 437 C TYR A 31 0.786 3.183 9.029 1.00 0.00 C ATOM 438 O TYR A 31 1.074 4.048 8.204 1.00 0.00 O ATOM 439 CB TYR A 31 -1.336 2.527 10.157 1.00 0.00 C ATOM 440 CG TYR A 31 -1.502 3.977 10.617 1.00 0.00 C ATOM 441 CD1 TYR A 31 -2.454 4.783 10.027 1.00 0.00 C ATOM 442 CD2 TYR A 31 -0.699 4.478 11.621 1.00 0.00 C ATOM 443 CE1 TYR A 31 -2.610 6.148 10.460 1.00 0.00 C ATOM 444 CE2 TYR A 31 -0.854 5.842 12.054 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.802 6.610 11.452 1.00 0.00 C ATOM 446 OH TYR A 31 -1.949 7.899 11.860 1.00 0.00 O ATOM 0 H TYR A 31 -0.661 0.364 9.472 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.021 2.727 7.995 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.322 2.095 9.988 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.870 1.954 10.958 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.082 4.391 9.241 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.046 3.847 12.082 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.351 6.790 10.007 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.232 6.246 12.839 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.307 8.091 12.575 1.00 0.00 H new ATOM 456 N ASP A 32 1.527 2.876 10.085 1.00 0.00 N ATOM 457 CA ASP A 32 2.777 3.569 10.348 1.00 0.00 C ATOM 458 C ASP A 32 3.713 3.395 9.151 1.00 0.00 C ATOM 459 O ASP A 32 4.596 4.221 8.924 1.00 0.00 O ATOM 460 CB ASP A 32 3.475 2.993 11.582 1.00 0.00 C ATOM 461 CG ASP A 32 2.910 3.464 12.924 1.00 0.00 C ATOM 462 OD1 ASP A 32 3.227 4.612 13.302 1.00 0.00 O ATOM 463 OD2 ASP A 32 2.172 2.665 13.540 1.00 0.00 O ATOM 0 H ASP A 32 1.286 2.157 10.767 1.00 0.00 H new ATOM 0 HA ASP A 32 2.551 4.621 10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.414 1.905 11.541 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.532 3.255 11.538 1.00 0.00 H new ATOM 468 N SER A 33 3.489 2.315 8.417 1.00 0.00 N ATOM 469 CA SER A 33 4.302 2.023 7.249 1.00 0.00 C ATOM 470 C SER A 33 3.871 2.907 6.077 1.00 0.00 C ATOM 471 O SER A 33 4.657 3.714 5.582 1.00 0.00 O ATOM 472 CB SER A 33 4.201 0.545 6.863 1.00 0.00 C ATOM 473 OG SER A 33 5.348 -0.193 7.275 1.00 0.00 O ATOM 0 H SER A 33 2.756 1.632 8.609 1.00 0.00 H new ATOM 0 HA SER A 33 5.342 2.237 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.309 0.112 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.083 0.459 5.783 1.00 0.00 H new ATOM 0 HG SER A 33 5.245 -1.131 7.012 1.00 0.00 H new ATOM 479 N LEU A 34 2.625 2.725 5.666 1.00 0.00 N ATOM 480 CA LEU A 34 2.080 3.497 4.562 1.00 0.00 C ATOM 481 C LEU A 34 1.956 4.963 4.982 1.00 0.00 C ATOM 482 O LEU A 34 1.704 5.831 4.149 1.00 0.00 O ATOM 483 CB LEU A 34 0.766 2.882 4.076 1.00 0.00 C ATOM 484 CG LEU A 34 0.877 1.899 2.909 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.580 2.543 1.713 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.563 0.603 3.347 1.00 0.00 C ATOM 0 H LEU A 34 1.977 2.054 6.078 1.00 0.00 H new ATOM 0 HA LEU A 34 2.755 3.467 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.296 2.368 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.096 3.690 3.782 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.131 1.637 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.645 1.822 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.013 3.413 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.584 2.853 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.629 -0.078 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.566 0.827 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.984 0.136 4.143 1.00 0.00 H new ATOM 498 N ASP A 35 2.138 5.192 6.274 1.00 0.00 N ATOM 499 CA ASP A 35 2.049 6.538 6.815 1.00 0.00 C ATOM 500 C ASP A 35 2.888 7.485 5.955 1.00 0.00 C ATOM 501 O ASP A 35 2.367 8.448 5.395 1.00 0.00 O ATOM 502 CB ASP A 35 2.590 6.594 8.245 1.00 0.00 C ATOM 503 CG ASP A 35 2.836 8.002 8.789 1.00 0.00 C ATOM 504 OD1 ASP A 35 3.902 8.562 8.452 1.00 0.00 O ATOM 505 OD2 ASP A 35 1.953 8.488 9.528 1.00 0.00 O ATOM 0 H ASP A 35 2.347 4.469 6.962 1.00 0.00 H new ATOM 0 HA ASP A 35 1.000 6.833 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.887 6.084 8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.526 6.037 8.285 1.00 0.00 H new ATOM 510 N LYS A 36 4.175 7.178 5.876 1.00 0.00 N ATOM 511 CA LYS A 36 5.092 7.990 5.094 1.00 0.00 C ATOM 512 C LYS A 36 4.683 7.937 3.620 1.00 0.00 C ATOM 513 O LYS A 36 4.473 8.974 2.993 1.00 0.00 O ATOM 514 CB LYS A 36 6.538 7.560 5.347 1.00 0.00 C ATOM 515 CG LYS A 36 7.449 8.776 5.525 1.00 0.00 C ATOM 516 CD LYS A 36 8.685 8.671 4.631 1.00 0.00 C ATOM 517 CE LYS A 36 8.433 9.320 3.268 1.00 0.00 C ATOM 518 NZ LYS A 36 8.587 10.789 3.357 1.00 0.00 N ATOM 0 H LYS A 36 4.604 6.378 6.341 1.00 0.00 H new ATOM 0 HA LYS A 36 5.036 9.034 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.584 6.933 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.892 6.955 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.898 9.686 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.756 8.855 6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.532 9.155 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.952 7.623 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.131 8.919 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.429 9.074 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.413 11.214 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.904 11.169 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.553 11.019 3.667 1.00 0.00 H new ATOM 532 N ALA A 37 4.582 6.718 3.111 1.00 0.00 N ATOM 533 CA ALA A 37 4.202 6.516 1.723 1.00 0.00 C ATOM 534 C ALA A 37 3.107 7.516 1.348 1.00 0.00 C ATOM 535 O ALA A 37 3.074 8.014 0.224 1.00 0.00 O ATOM 536 CB ALA A 37 3.761 5.065 1.520 1.00 0.00 C ATOM 0 H ALA A 37 4.757 5.860 3.635 1.00 0.00 H new ATOM 0 HA ALA A 37 5.051 6.694 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.476 4.914 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.584 4.396 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.909 4.850 2.164 1.00 0.00 H new ATOM 542 N LEU A 38 2.237 7.782 2.312 1.00 0.00 N ATOM 543 CA LEU A 38 1.143 8.714 2.097 1.00 0.00 C ATOM 544 C LEU A 38 1.597 10.123 2.480 1.00 0.00 C ATOM 545 O LEU A 38 1.551 11.039 1.660 1.00 0.00 O ATOM 546 CB LEU A 38 -0.111 8.248 2.839 1.00 0.00 C ATOM 547 CG LEU A 38 -0.692 6.903 2.397 1.00 0.00 C ATOM 548 CD1 LEU A 38 -1.975 6.581 3.166 1.00 0.00 C ATOM 549 CD2 LEU A 38 -0.907 6.870 0.883 1.00 0.00 C ATOM 0 H LEU A 38 2.268 7.368 3.244 1.00 0.00 H new ATOM 0 HA LEU A 38 0.868 8.743 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.121 8.189 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.882 9.010 2.723 1.00 0.00 H new ATOM 0 HG LEU A 38 0.031 6.123 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.367 5.620 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.758 6.534 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.715 7.359 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.321 5.903 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.600 7.661 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.046 7.022 0.377 1.00 0.00 H new ATOM 561 N LYS A 39 2.025 10.254 3.727 1.00 0.00 N ATOM 562 CA LYS A 39 2.487 11.537 4.230 1.00 0.00 C ATOM 563 C LYS A 39 3.318 12.233 3.150 1.00 0.00 C ATOM 564 O LYS A 39 3.078 13.396 2.830 1.00 0.00 O ATOM 565 CB LYS A 39 3.227 11.357 5.556 1.00 0.00 C ATOM 566 CG LYS A 39 2.327 11.718 6.740 1.00 0.00 C ATOM 567 CD LYS A 39 0.951 11.065 6.601 1.00 0.00 C ATOM 568 CE LYS A 39 -0.162 12.113 6.664 1.00 0.00 C ATOM 569 NZ LYS A 39 -0.501 12.425 8.071 1.00 0.00 N ATOM 0 H LYS A 39 2.062 9.492 4.404 1.00 0.00 H new ATOM 0 HA LYS A 39 1.641 12.188 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.563 10.325 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.118 11.985 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.795 11.394 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.215 12.801 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.894 10.526 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.810 10.332 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.155 13.020 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.046 11.745 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.258 13.138 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.824 11.560 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.340 12.796 8.557 1.00 0.00 H new ATOM 583 N VAL A 40 4.280 11.491 2.619 1.00 0.00 N ATOM 584 CA VAL A 40 5.148 12.023 1.583 1.00 0.00 C ATOM 585 C VAL A 40 4.324 12.885 0.625 1.00 0.00 C ATOM 586 O VAL A 40 4.760 13.962 0.222 1.00 0.00 O ATOM 587 CB VAL A 40 5.881 10.880 0.877 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.890 9.889 0.264 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.846 11.418 -0.181 1.00 0.00 C ATOM 0 H VAL A 40 4.477 10.527 2.887 1.00 0.00 H new ATOM 0 HA VAL A 40 5.914 12.664 2.019 1.00 0.00 H new ATOM 0 HB VAL A 40 6.468 10.346 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.437 9.087 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.262 9.469 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.263 10.404 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.354 10.585 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.289 11.988 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.583 12.065 0.294 1.00 0.00 H new ATOM 599 N ARG A 41 3.146 12.379 0.288 1.00 0.00 N ATOM 600 CA ARG A 41 2.257 13.090 -0.614 1.00 0.00 C ATOM 601 C ARG A 41 1.254 13.929 0.180 1.00 0.00 C ATOM 602 O ARG A 41 0.827 14.988 -0.276 1.00 0.00 O ATOM 603 CB ARG A 41 1.495 12.116 -1.517 1.00 0.00 C ATOM 604 CG ARG A 41 2.430 11.478 -2.546 1.00 0.00 C ATOM 605 CD ARG A 41 1.636 10.702 -3.600 1.00 0.00 C ATOM 606 NE ARG A 41 1.906 11.257 -4.945 1.00 0.00 N ATOM 607 CZ ARG A 41 3.113 11.263 -5.527 1.00 0.00 C ATOM 608 NH1 ARG A 41 4.169 10.746 -4.885 1.00 0.00 N ATOM 609 NH2 ARG A 41 3.264 11.788 -6.751 1.00 0.00 N ATOM 0 H ARG A 41 2.787 11.485 0.624 1.00 0.00 H new ATOM 0 HA ARG A 41 2.869 13.743 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.031 11.338 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.690 12.643 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.026 12.252 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.127 10.807 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.910 9.647 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.570 10.760 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 41 1.124 11.660 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.054 10.348 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.088 10.751 -5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.460 12.183 -7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.183 11.793 -7.194 1.00 0.00 H new ATOM 623 N GLY A 42 0.908 13.424 1.355 1.00 0.00 N ATOM 624 CA GLY A 42 -0.037 14.114 2.217 1.00 0.00 C ATOM 625 C GLY A 42 -1.339 13.322 2.348 1.00 0.00 C ATOM 626 O GLY A 42 -2.307 13.804 2.935 1.00 0.00 O ATOM 0 H GLY A 42 1.265 12.545 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.404 14.260 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.248 15.104 1.812 1.00 0.00 H new ATOM 630 N LEU A 43 -1.322 12.119 1.792 1.00 0.00 N ATOM 631 CA LEU A 43 -2.489 11.255 1.840 1.00 0.00 C ATOM 632 C LEU A 43 -2.737 10.818 3.285 1.00 0.00 C ATOM 633 O LEU A 43 -1.794 10.527 4.019 1.00 0.00 O ATOM 634 CB LEU A 43 -2.333 10.089 0.863 1.00 0.00 C ATOM 635 CG LEU A 43 -2.626 10.400 -0.606 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.040 9.324 -1.523 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.126 10.594 -0.837 1.00 0.00 C ATOM 0 H LEU A 43 -0.518 11.722 1.306 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.377 11.797 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.313 9.713 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.994 9.283 1.182 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.136 11.340 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.263 9.570 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.960 9.277 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.479 8.357 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.307 10.814 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.658 9.684 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.484 11.423 -0.226 1.00 0.00 H new ATOM 649 N ASN A 44 -4.010 10.786 3.650 1.00 0.00 N ATOM 650 CA ASN A 44 -4.393 10.389 4.994 1.00 0.00 C ATOM 651 C ASN A 44 -4.857 8.931 4.978 1.00 0.00 C ATOM 652 O ASN A 44 -5.209 8.399 3.926 1.00 0.00 O ATOM 653 CB ASN A 44 -5.548 11.248 5.514 1.00 0.00 C ATOM 654 CG ASN A 44 -5.704 11.098 7.029 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.770 10.799 7.542 1.00 0.00 O ATOM 656 ND2 ASN A 44 -4.586 11.321 7.713 1.00 0.00 N ATOM 0 H ASN A 44 -4.789 11.029 3.038 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.527 10.518 5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.369 12.294 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.474 10.957 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.587 11.245 8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.727 11.568 7.221 1.00 0.00 H new ATOM 663 N GLN A 45 -4.844 8.326 6.157 1.00 0.00 N ATOM 664 CA GLN A 45 -5.260 6.941 6.292 1.00 0.00 C ATOM 665 C GLN A 45 -6.735 6.865 6.691 1.00 0.00 C ATOM 666 O GLN A 45 -7.119 6.030 7.509 1.00 0.00 O ATOM 667 CB GLN A 45 -4.380 6.200 7.301 1.00 0.00 C ATOM 668 CG GLN A 45 -2.993 5.922 6.719 1.00 0.00 C ATOM 669 CD GLN A 45 -2.099 7.159 6.817 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.203 8.095 6.042 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.216 7.111 7.811 1.00 0.00 N ATOM 0 H GLN A 45 -4.552 8.770 7.027 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.140 6.451 5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.284 6.793 8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.855 5.260 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.531 5.092 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.086 5.618 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.182 6.296 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.573 7.889 7.960 1.00 0.00 H new ATOM 680 N ASP A 46 -7.522 7.749 6.096 1.00 0.00 N ATOM 681 CA ASP A 46 -8.947 7.793 6.379 1.00 0.00 C ATOM 682 C ASP A 46 -9.727 7.672 5.068 1.00 0.00 C ATOM 683 O ASP A 46 -10.698 6.921 4.987 1.00 0.00 O ATOM 684 CB ASP A 46 -9.336 9.117 7.040 1.00 0.00 C ATOM 685 CG ASP A 46 -9.439 9.072 8.566 1.00 0.00 C ATOM 686 OD1 ASP A 46 -9.475 7.943 9.099 1.00 0.00 O ATOM 687 OD2 ASP A 46 -9.479 10.169 9.164 1.00 0.00 O ATOM 0 H ASP A 46 -7.200 8.441 5.419 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.183 6.970 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.602 9.874 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.295 9.440 6.635 1.00 0.00 H new ATOM 692 N CYS A 47 -9.273 8.422 4.075 1.00 0.00 N ATOM 693 CA CYS A 47 -9.917 8.408 2.772 1.00 0.00 C ATOM 694 C CYS A 47 -8.982 7.709 1.783 1.00 0.00 C ATOM 695 O CYS A 47 -8.914 8.088 0.614 1.00 0.00 O ATOM 696 CB CYS A 47 -10.288 9.818 2.309 1.00 0.00 C ATOM 697 SG CYS A 47 -11.727 9.748 1.181 1.00 0.00 S ATOM 0 H CYS A 47 -8.467 9.043 4.146 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.857 7.859 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.521 10.443 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.440 10.278 1.802 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.369 9.208 0.054 1.00 0.00 H new ATOM 703 N CYS A 48 -8.286 6.701 2.286 1.00 0.00 N ATOM 704 CA CYS A 48 -7.358 5.946 1.461 1.00 0.00 C ATOM 705 C CYS A 48 -7.466 4.469 1.846 1.00 0.00 C ATOM 706 O CYS A 48 -7.666 4.141 3.014 1.00 0.00 O ATOM 707 CB CYS A 48 -5.927 6.468 1.596 1.00 0.00 C ATOM 708 SG CYS A 48 -5.708 7.967 0.571 1.00 0.00 S ATOM 0 H CYS A 48 -8.346 6.389 3.255 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.620 6.067 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.712 6.697 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.220 5.699 1.286 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.858 8.548 0.400 1.00 0.00 H new ATOM 714 N VAL A 49 -7.328 3.617 0.840 1.00 0.00 N ATOM 715 CA VAL A 49 -7.408 2.183 1.058 1.00 0.00 C ATOM 716 C VAL A 49 -6.200 1.505 0.408 1.00 0.00 C ATOM 717 O VAL A 49 -5.673 1.993 -0.591 1.00 0.00 O ATOM 718 CB VAL A 49 -8.744 1.648 0.541 1.00 0.00 C ATOM 719 CG1 VAL A 49 -9.024 2.150 -0.877 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.783 0.119 0.598 1.00 0.00 C ATOM 0 H VAL A 49 -7.161 3.893 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.374 1.956 2.124 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.531 2.028 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.980 1.755 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.061 3.239 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.231 1.814 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.744 -0.235 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.982 -0.289 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.651 -0.210 1.629 1.00 0.00 H new ATOM 730 N VAL A 50 -5.797 0.390 1.001 1.00 0.00 N ATOM 731 CA VAL A 50 -4.661 -0.360 0.491 1.00 0.00 C ATOM 732 C VAL A 50 -5.129 -1.748 0.050 1.00 0.00 C ATOM 733 O VAL A 50 -5.800 -2.450 0.805 1.00 0.00 O ATOM 734 CB VAL A 50 -3.552 -0.409 1.544 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.298 -1.086 0.988 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.232 0.992 2.069 1.00 0.00 C ATOM 0 H VAL A 50 -6.237 -0.012 1.829 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.238 0.134 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.912 -1.006 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.525 -1.108 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.538 -2.105 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.936 -0.528 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.441 0.929 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.902 1.623 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.125 1.424 2.522 1.00 0.00 H new ATOM 746 N TYR A 51 -4.757 -2.102 -1.171 1.00 0.00 N ATOM 747 CA TYR A 51 -5.130 -3.394 -1.722 1.00 0.00 C ATOM 748 C TYR A 51 -3.920 -4.327 -1.799 1.00 0.00 C ATOM 749 O TYR A 51 -2.817 -3.893 -2.129 1.00 0.00 O ATOM 750 CB TYR A 51 -5.637 -3.118 -3.139 1.00 0.00 C ATOM 751 CG TYR A 51 -6.522 -1.875 -3.251 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.534 -1.663 -2.337 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.310 -0.966 -4.268 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.367 -0.494 -2.443 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.143 0.203 -4.374 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.131 0.382 -3.456 1.00 0.00 C ATOM 757 OH TYR A 51 -8.918 1.486 -3.557 1.00 0.00 O ATOM 0 H TYR A 51 -4.201 -1.517 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.881 -3.876 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.781 -3.004 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.199 -3.984 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.701 -2.375 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.519 -1.132 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.162 -0.316 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.987 0.922 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.251 1.567 -4.475 1.00 0.00 H new ATOM 767 N ARG A 52 -4.167 -5.591 -1.489 1.00 0.00 N ATOM 768 CA ARG A 52 -3.112 -6.590 -1.519 1.00 0.00 C ATOM 769 C ARG A 52 -3.181 -7.397 -2.817 1.00 0.00 C ATOM 770 O ARG A 52 -4.266 -7.632 -3.349 1.00 0.00 O ATOM 771 CB ARG A 52 -3.220 -7.542 -0.327 1.00 0.00 C ATOM 772 CG ARG A 52 -3.418 -6.768 0.977 1.00 0.00 C ATOM 773 CD ARG A 52 -2.523 -7.324 2.086 1.00 0.00 C ATOM 774 NE ARG A 52 -2.534 -8.804 2.052 1.00 0.00 N ATOM 775 CZ ARG A 52 -3.497 -9.560 2.598 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.530 -8.981 3.223 1.00 0.00 N ATOM 777 NH2 ARG A 52 -3.425 -10.896 2.518 1.00 0.00 N ATOM 0 H ARG A 52 -5.083 -5.947 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.158 -6.066 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.055 -8.226 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.318 -8.150 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.192 -5.714 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.462 -6.827 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.504 -6.957 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.872 -6.972 3.057 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.761 -9.278 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.584 -7.964 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.262 -9.557 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.638 -11.337 2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.157 -11.472 2.933 1.00 0.00 H new ATOM 791 N LEU A 53 -2.011 -7.800 -3.290 1.00 0.00 N ATOM 792 CA LEU A 53 -1.926 -8.576 -4.515 1.00 0.00 C ATOM 793 C LEU A 53 -2.029 -10.065 -4.179 1.00 0.00 C ATOM 794 O LEU A 53 -1.062 -10.669 -3.717 1.00 0.00 O ATOM 795 CB LEU A 53 -0.662 -8.208 -5.296 1.00 0.00 C ATOM 796 CG LEU A 53 -0.835 -7.159 -6.396 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.145 -7.821 -7.740 1.00 0.00 C ATOM 798 CD2 LEU A 53 -1.895 -6.126 -6.007 1.00 0.00 C ATOM 0 H LEU A 53 -1.114 -7.603 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.761 -8.339 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.085 -7.845 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.260 -9.115 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 53 0.108 -6.624 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.263 -7.054 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.326 -8.485 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.067 -8.397 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.998 -5.392 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.850 -6.627 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.593 -5.623 -5.089 1.00 0.00 H new ATOM 810 N ILE A 54 -3.210 -10.613 -4.423 1.00 0.00 N ATOM 811 CA ILE A 54 -3.452 -12.020 -4.152 1.00 0.00 C ATOM 812 C ILE A 54 -3.970 -12.698 -5.422 1.00 0.00 C ATOM 813 O ILE A 54 -5.171 -12.695 -5.687 1.00 0.00 O ATOM 814 CB ILE A 54 -4.381 -12.181 -2.947 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.672 -11.784 -1.651 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.949 -13.601 -2.878 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.285 -10.513 -1.058 1.00 0.00 C ATOM 0 H ILE A 54 -4.010 -10.108 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.523 -12.521 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.225 -11.502 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.744 -12.598 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.612 -11.624 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.606 -13.688 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.515 -13.811 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.131 -14.316 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.763 -10.253 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.190 -9.696 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.339 -10.685 -0.841 1.00 0.00 H new ATOM 829 N LYS A 55 -3.037 -13.264 -6.175 1.00 0.00 N ATOM 830 CA LYS A 55 -3.384 -13.945 -7.411 1.00 0.00 C ATOM 831 C LYS A 55 -4.035 -12.948 -8.371 1.00 0.00 C ATOM 832 O LYS A 55 -5.023 -13.269 -9.030 1.00 0.00 O ATOM 833 CB LYS A 55 -4.248 -15.174 -7.121 1.00 0.00 C ATOM 834 CG LYS A 55 -3.439 -16.463 -7.283 1.00 0.00 C ATOM 835 CD LYS A 55 -3.709 -17.428 -6.127 1.00 0.00 C ATOM 836 CE LYS A 55 -2.477 -17.572 -5.233 1.00 0.00 C ATOM 837 NZ LYS A 55 -2.307 -18.978 -4.805 1.00 0.00 N ATOM 0 H LYS A 55 -2.042 -13.265 -5.953 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.488 -14.323 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.644 -15.114 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.103 -15.190 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.695 -16.941 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.376 -16.227 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.551 -17.067 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.992 -18.404 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.589 -17.240 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.578 -16.929 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.466 -19.057 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.147 -19.283 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.189 -19.584 -5.642 1.00 0.00 H new ATOM 851 N GLY A 56 -3.454 -11.758 -8.422 1.00 0.00 N ATOM 852 CA GLY A 56 -3.965 -10.712 -9.291 1.00 0.00 C ATOM 853 C GLY A 56 -5.366 -10.275 -8.858 1.00 0.00 C ATOM 854 O GLY A 56 -6.290 -10.245 -9.671 1.00 0.00 O ATOM 0 H GLY A 56 -2.634 -11.495 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.291 -9.856 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.994 -11.071 -10.320 1.00 0.00 H new ATOM 858 N ARG A 57 -5.481 -9.948 -7.580 1.00 0.00 N ATOM 859 CA ARG A 57 -6.754 -9.514 -7.029 1.00 0.00 C ATOM 860 C ARG A 57 -6.527 -8.527 -5.883 1.00 0.00 C ATOM 861 O ARG A 57 -6.050 -8.908 -4.815 1.00 0.00 O ATOM 862 CB ARG A 57 -7.566 -10.705 -6.515 1.00 0.00 C ATOM 863 CG ARG A 57 -8.234 -11.452 -7.671 1.00 0.00 C ATOM 864 CD ARG A 57 -9.425 -10.664 -8.218 1.00 0.00 C ATOM 865 NE ARG A 57 -10.685 -11.187 -7.644 1.00 0.00 N ATOM 866 CZ ARG A 57 -11.235 -12.361 -7.983 1.00 0.00 C ATOM 867 NH1 ARG A 57 -10.638 -13.141 -8.895 1.00 0.00 N ATOM 868 NH2 ARG A 57 -12.380 -12.755 -7.411 1.00 0.00 N ATOM 0 H ARG A 57 -4.713 -9.975 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.312 -9.026 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.914 -11.385 -5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.325 -10.357 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.509 -11.621 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.568 -12.432 -7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.316 -9.607 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.453 -10.739 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.165 -10.618 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.766 -12.841 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.056 -14.035 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.834 -12.161 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.798 -13.649 -7.670 1.00 0.00 H new ATOM 882 N LYS A 58 -6.881 -7.276 -6.142 1.00 0.00 N ATOM 883 CA LYS A 58 -6.723 -6.231 -5.145 1.00 0.00 C ATOM 884 C LYS A 58 -7.573 -6.569 -3.919 1.00 0.00 C ATOM 885 O LYS A 58 -8.791 -6.400 -3.938 1.00 0.00 O ATOM 886 CB LYS A 58 -7.034 -4.861 -5.751 1.00 0.00 C ATOM 887 CG LYS A 58 -5.773 -4.220 -6.334 1.00 0.00 C ATOM 888 CD LYS A 58 -5.729 -4.382 -7.855 1.00 0.00 C ATOM 889 CE LYS A 58 -5.905 -3.033 -8.555 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.469 -3.221 -9.910 1.00 0.00 N ATOM 0 H LYS A 58 -7.277 -6.963 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.687 -6.178 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.787 -4.967 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.458 -4.209 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.747 -3.161 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.889 -4.678 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.779 -4.827 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.515 -5.067 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.563 -2.394 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.944 -2.524 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.582 -2.295 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.826 -3.813 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.396 -3.687 -9.839 1.00 0.00 H new ATOM 904 N THR A 59 -6.897 -7.042 -2.882 1.00 0.00 N ATOM 905 CA THR A 59 -7.575 -7.405 -1.649 1.00 0.00 C ATOM 906 C THR A 59 -7.352 -6.332 -0.582 1.00 0.00 C ATOM 907 O THR A 59 -6.291 -6.277 0.037 1.00 0.00 O ATOM 908 CB THR A 59 -7.082 -8.791 -1.229 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.834 -9.688 -2.042 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.492 -9.150 0.200 1.00 0.00 C ATOM 0 H THR A 59 -5.887 -7.182 -2.870 1.00 0.00 H new ATOM 0 HA THR A 59 -8.654 -7.457 -1.792 1.00 0.00 H new ATOM 0 HB THR A 59 -5.996 -8.832 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.576 -10.611 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.117 -10.143 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.073 -8.421 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.579 -9.142 0.279 1.00 0.00 H new ATOM 918 N VAL A 60 -8.371 -5.504 -0.399 1.00 0.00 N ATOM 919 CA VAL A 60 -8.300 -4.436 0.583 1.00 0.00 C ATOM 920 C VAL A 60 -7.586 -4.947 1.836 1.00 0.00 C ATOM 921 O VAL A 60 -7.546 -6.151 2.084 1.00 0.00 O ATOM 922 CB VAL A 60 -9.702 -3.896 0.872 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.688 -2.947 2.071 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.291 -3.211 -0.363 1.00 0.00 C ATOM 0 H VAL A 60 -9.250 -5.552 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.718 -3.600 0.196 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.342 -4.742 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.697 -2.578 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.331 -3.480 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.026 -2.106 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.288 -2.836 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.651 -2.380 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.355 -3.928 -1.181 1.00 0.00 H new ATOM 934 N THR A 61 -7.041 -4.006 2.593 1.00 0.00 N ATOM 935 CA THR A 61 -6.331 -4.346 3.814 1.00 0.00 C ATOM 936 C THR A 61 -6.666 -3.346 4.922 1.00 0.00 C ATOM 937 O THR A 61 -7.106 -2.231 4.645 1.00 0.00 O ATOM 938 CB THR A 61 -4.837 -4.415 3.489 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.330 -5.395 4.391 1.00 0.00 O ATOM 940 CG2 THR A 61 -4.094 -3.134 3.875 1.00 0.00 C ATOM 0 H THR A 61 -7.077 -3.008 2.384 1.00 0.00 H new ATOM 0 HA THR A 61 -6.641 -5.320 4.194 1.00 0.00 H new ATOM 0 HB THR A 61 -4.706 -4.604 2.423 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.360 -5.285 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.038 -3.236 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.517 -2.290 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.197 -2.963 4.947 1.00 0.00 H new ATOM 948 N ALA A 62 -6.445 -3.780 6.154 1.00 0.00 N ATOM 949 CA ALA A 62 -6.719 -2.937 7.305 1.00 0.00 C ATOM 950 C ALA A 62 -5.488 -2.081 7.609 1.00 0.00 C ATOM 951 O ALA A 62 -4.387 -2.385 7.151 1.00 0.00 O ATOM 952 CB ALA A 62 -7.128 -3.810 8.493 1.00 0.00 C ATOM 0 H ALA A 62 -6.079 -4.705 6.380 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.548 -2.261 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.333 -3.177 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.023 -4.376 8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.319 -4.500 8.733 1.00 0.00 H new ATOM 958 N TRP A 63 -5.714 -1.026 8.378 1.00 0.00 N ATOM 959 CA TRP A 63 -4.637 -0.124 8.748 1.00 0.00 C ATOM 960 C TRP A 63 -4.002 -0.649 10.037 1.00 0.00 C ATOM 961 O TRP A 63 -2.836 -0.373 10.316 1.00 0.00 O ATOM 962 CB TRP A 63 -5.145 1.314 8.874 1.00 0.00 C ATOM 963 CG TRP A 63 -5.551 1.950 7.543 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.784 2.259 7.119 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.667 2.344 6.474 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.759 2.821 5.859 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.430 2.875 5.454 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.267 2.255 6.371 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.884 3.358 4.259 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.737 2.742 5.170 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.492 3.280 4.134 1.00 0.00 C ATOM 0 H TRP A 63 -6.628 -0.776 8.755 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.873 -0.096 7.971 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.002 1.328 9.548 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.368 1.924 9.334 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.684 2.090 7.691 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.567 3.138 5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.650 1.844 7.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.503 3.769 3.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.666 2.696 5.039 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.007 3.636 3.237 1.00 0.00 H new ATOM 982 N ASP A 64 -4.797 -1.397 10.789 1.00 0.00 N ATOM 983 CA ASP A 64 -4.326 -1.963 12.041 1.00 0.00 C ATOM 984 C ASP A 64 -3.793 -3.375 11.790 1.00 0.00 C ATOM 985 O ASP A 64 -3.924 -4.252 12.642 1.00 0.00 O ATOM 986 CB ASP A 64 -5.462 -2.061 13.062 1.00 0.00 C ATOM 987 CG ASP A 64 -5.031 -2.473 14.471 1.00 0.00 C ATOM 988 OD1 ASP A 64 -3.804 -2.578 14.681 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.939 -2.674 15.306 1.00 0.00 O ATOM 0 H ASP A 64 -5.764 -1.624 10.555 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.544 -1.312 12.432 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.963 -1.095 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.196 -2.780 12.698 1.00 0.00 H new ATOM 994 N THR A 65 -3.204 -3.550 10.616 1.00 0.00 N ATOM 995 CA THR A 65 -2.651 -4.840 10.242 1.00 0.00 C ATOM 996 C THR A 65 -1.125 -4.817 10.348 1.00 0.00 C ATOM 997 O THR A 65 -0.515 -3.749 10.350 1.00 0.00 O ATOM 998 CB THR A 65 -3.158 -5.183 8.839 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.560 -4.939 8.907 1.00 0.00 O ATOM 1000 CG2 THR A 65 -3.055 -6.678 8.528 1.00 0.00 C ATOM 0 H THR A 65 -3.098 -2.820 9.912 1.00 0.00 H new ATOM 0 HA THR A 65 -2.981 -5.624 10.923 1.00 0.00 H new ATOM 0 HB THR A 65 -2.589 -4.618 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.027 -5.773 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.428 -6.867 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.013 -6.993 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.651 -7.241 9.247 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.552 -6.009 10.433 1.00 0.00 N ATOM 1009 CA ALA A 66 0.891 -6.139 10.539 1.00 0.00 C ATOM 1010 C ALA A 66 1.504 -6.130 9.137 1.00 0.00 C ATOM 1011 O ALA A 66 0.856 -6.525 8.170 1.00 0.00 O ATOM 1012 CB ALA A 66 1.234 -7.411 11.317 1.00 0.00 C ATOM 0 H ALA A 66 -1.061 -6.893 10.431 1.00 0.00 H new ATOM 0 HA ALA A 66 1.312 -5.297 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.317 -7.508 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.801 -7.355 12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.829 -8.278 10.794 1.00 0.00 H new ATOM 1018 N ILE A 67 2.747 -5.675 9.073 1.00 0.00 N ATOM 1019 CA ILE A 67 3.455 -5.610 7.805 1.00 0.00 C ATOM 1020 C ILE A 67 4.414 -6.797 7.700 1.00 0.00 C ATOM 1021 O ILE A 67 5.361 -6.767 6.915 1.00 0.00 O ATOM 1022 CB ILE A 67 4.138 -4.251 7.643 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.650 -4.061 6.214 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.250 -4.069 8.679 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.704 -3.170 5.406 1.00 0.00 C ATOM 0 H ILE A 67 3.282 -5.348 9.878 1.00 0.00 H new ATOM 0 HA ILE A 67 2.756 -5.691 6.973 1.00 0.00 H new ATOM 0 HB ILE A 67 3.397 -3.473 7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.644 -3.615 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.747 -5.031 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.719 -3.095 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.827 -4.130 9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.997 -4.853 8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.092 -3.051 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.717 -3.630 5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.629 -2.193 5.883 1.00 0.00 H new ATOM 1037 N ALA A 68 4.137 -7.814 8.502 1.00 0.00 N ATOM 1038 CA ALA A 68 4.964 -9.009 8.509 1.00 0.00 C ATOM 1039 C ALA A 68 4.595 -9.886 7.310 1.00 0.00 C ATOM 1040 O ALA A 68 5.450 -10.208 6.487 1.00 0.00 O ATOM 1041 CB ALA A 68 4.792 -9.741 9.841 1.00 0.00 C ATOM 0 H ALA A 68 3.351 -7.835 9.152 1.00 0.00 H new ATOM 0 HA ALA A 68 6.018 -8.747 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.412 -10.637 9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.094 -9.086 10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.747 -10.022 9.969 1.00 0.00 H new ATOM 1047 N PRO A 69 3.288 -10.256 7.249 1.00 0.00 N ATOM 1048 CA PRO A 69 2.796 -11.089 6.165 1.00 0.00 C ATOM 1049 C PRO A 69 2.665 -10.283 4.871 1.00 0.00 C ATOM 1050 O PRO A 69 1.597 -10.251 4.260 1.00 0.00 O ATOM 1051 CB PRO A 69 1.468 -11.636 6.661 1.00 0.00 C ATOM 1052 CG PRO A 69 1.044 -10.729 7.804 1.00 0.00 C ATOM 1053 CD PRO A 69 2.248 -9.892 8.206 1.00 0.00 C ATOM 0 HA PRO A 69 3.478 -11.902 5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.723 -11.635 5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.572 -12.667 6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.219 -10.087 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.690 -11.320 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.023 -8.827 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.557 -10.109 9.229 1.00 0.00 H new ATOM 1061 N LEU A 70 3.766 -9.651 4.490 1.00 0.00 N ATOM 1062 CA LEU A 70 3.787 -8.848 3.280 1.00 0.00 C ATOM 1063 C LEU A 70 5.074 -9.134 2.505 1.00 0.00 C ATOM 1064 O LEU A 70 5.048 -9.284 1.284 1.00 0.00 O ATOM 1065 CB LEU A 70 3.587 -7.368 3.615 1.00 0.00 C ATOM 1066 CG LEU A 70 2.181 -6.965 4.062 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.129 -7.443 3.059 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.891 -7.466 5.479 1.00 0.00 C ATOM 0 H LEU A 70 4.650 -9.679 4.999 1.00 0.00 H new ATOM 0 HA LEU A 70 2.956 -9.119 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.289 -7.096 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.850 -6.778 2.737 1.00 0.00 H new ATOM 0 HG LEU A 70 2.130 -5.877 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.138 -7.144 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.327 -6.997 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.172 -8.529 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.885 -7.166 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.967 -8.553 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.614 -7.036 6.172 1.00 0.00 H new ATOM 1080 N ASP A 71 6.170 -9.203 3.246 1.00 0.00 N ATOM 1081 CA ASP A 71 7.466 -9.469 2.643 1.00 0.00 C ATOM 1082 C ASP A 71 7.279 -10.368 1.420 1.00 0.00 C ATOM 1083 O ASP A 71 7.015 -11.562 1.557 1.00 0.00 O ATOM 1084 CB ASP A 71 8.391 -10.191 3.624 1.00 0.00 C ATOM 1085 CG ASP A 71 9.775 -10.540 3.071 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.244 -9.780 2.196 1.00 0.00 O ATOM 1087 OD2 ASP A 71 10.332 -11.557 3.536 1.00 0.00 O ATOM 0 H ASP A 71 6.188 -9.079 4.258 1.00 0.00 H new ATOM 0 HA ASP A 71 7.911 -8.514 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.517 -9.566 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.904 -11.110 3.950 1.00 0.00 H new ATOM 1092 N GLY A 72 7.423 -9.761 0.251 1.00 0.00 N ATOM 1093 CA GLY A 72 7.274 -10.492 -0.996 1.00 0.00 C ATOM 1094 C GLY A 72 5.863 -10.326 -1.563 1.00 0.00 C ATOM 1095 O GLY A 72 5.156 -11.309 -1.776 1.00 0.00 O ATOM 0 H GLY A 72 7.641 -8.771 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.005 -10.135 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.481 -11.549 -0.829 1.00 0.00 H new ATOM 1099 N GLU A 73 5.496 -9.073 -1.792 1.00 0.00 N ATOM 1100 CA GLU A 73 4.182 -8.765 -2.330 1.00 0.00 C ATOM 1101 C GLU A 73 4.144 -7.326 -2.848 1.00 0.00 C ATOM 1102 O GLU A 73 5.188 -6.698 -3.022 1.00 0.00 O ATOM 1103 CB GLU A 73 3.091 -9.000 -1.283 1.00 0.00 C ATOM 1104 CG GLU A 73 3.200 -7.987 -0.142 1.00 0.00 C ATOM 1105 CD GLU A 73 2.364 -6.739 -0.435 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.139 -6.907 -0.616 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.969 -5.646 -0.471 1.00 0.00 O ATOM 0 H GLU A 73 6.086 -8.260 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 73 3.987 -9.437 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.110 -8.922 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.175 -10.011 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.864 -8.444 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.243 -7.705 0.000 1.00 0.00 H new ATOM 1114 N GLU A 74 2.932 -6.846 -3.081 1.00 0.00 N ATOM 1115 CA GLU A 74 2.745 -5.493 -3.576 1.00 0.00 C ATOM 1116 C GLU A 74 1.366 -4.966 -3.172 1.00 0.00 C ATOM 1117 O GLU A 74 0.348 -5.588 -3.471 1.00 0.00 O ATOM 1118 CB GLU A 74 2.932 -5.433 -5.093 1.00 0.00 C ATOM 1119 CG GLU A 74 4.310 -4.874 -5.453 1.00 0.00 C ATOM 1120 CD GLU A 74 4.652 -5.160 -6.917 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.345 -6.287 -7.362 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.212 -4.245 -7.559 1.00 0.00 O ATOM 0 H GLU A 74 2.069 -7.370 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 74 3.504 -4.854 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.818 -6.431 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.155 -4.808 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.328 -3.799 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.067 -5.317 -4.806 1.00 0.00 H new ATOM 1129 N LEU A 75 1.378 -3.824 -2.499 1.00 0.00 N ATOM 1130 CA LEU A 75 0.141 -3.206 -2.052 1.00 0.00 C ATOM 1131 C LEU A 75 -0.178 -2.007 -2.947 1.00 0.00 C ATOM 1132 O LEU A 75 0.728 -1.364 -3.475 1.00 0.00 O ATOM 1133 CB LEU A 75 0.224 -2.859 -0.564 1.00 0.00 C ATOM 1134 CG LEU A 75 0.334 -4.044 0.397 1.00 0.00 C ATOM 1135 CD1 LEU A 75 0.963 -3.617 1.724 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -1.026 -4.716 0.597 1.00 0.00 C ATOM 0 H LEU A 75 2.225 -3.311 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.691 -3.904 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.087 -2.211 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.660 -2.281 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 75 0.997 -4.785 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.030 -4.478 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.962 -3.221 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.346 -2.847 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.920 -5.555 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.731 -3.995 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.398 -5.077 -0.362 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.468 -1.743 -3.090 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.918 -0.632 -3.912 1.00 0.00 C ATOM 1150 C ILE A 76 -2.684 0.365 -3.039 1.00 0.00 C ATOM 1151 O ILE A 76 -3.734 0.036 -2.490 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.720 -1.144 -5.110 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.808 -1.832 -6.127 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.537 -0.016 -5.744 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.627 -2.557 -7.196 1.00 0.00 C ATOM 0 H ILE A 76 -2.216 -2.279 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.066 -0.098 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.427 -1.893 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.161 -1.093 -6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.159 -2.544 -5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.098 -0.406 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.230 0.390 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.866 0.773 -6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.954 -3.037 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.255 -3.312 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.256 -1.839 -7.721 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.128 1.563 -2.940 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.745 2.610 -2.144 1.00 0.00 C ATOM 1169 C VAL A 77 -3.628 3.476 -3.044 1.00 0.00 C ATOM 1170 O VAL A 77 -3.176 3.965 -4.079 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.669 3.414 -1.411 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.287 4.580 -0.637 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.849 2.515 -0.484 1.00 0.00 C ATOM 0 H VAL A 77 -1.257 1.832 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.387 2.177 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.994 3.829 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.500 5.135 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.806 5.242 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.995 4.195 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.091 3.111 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.507 2.057 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.363 1.735 -1.070 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.872 3.640 -2.619 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.823 4.438 -3.374 1.00 0.00 C ATOM 1185 C GLU A 78 -6.628 5.336 -2.433 1.00 0.00 C ATOM 1186 O GLU A 78 -6.565 5.179 -1.214 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.747 3.548 -4.206 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.348 3.571 -5.683 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.449 4.202 -6.539 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.597 5.440 -6.450 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -8.116 3.432 -7.263 1.00 0.00 O ATOM 0 H GLU A 78 -5.244 3.233 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.267 5.073 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.707 2.525 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.777 3.887 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.422 4.132 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.153 2.555 -6.026 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.366 6.258 -3.033 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.183 7.181 -2.264 1.00 0.00 C ATOM 1200 C VAL A 79 -9.643 6.727 -2.314 1.00 0.00 C ATOM 1201 O VAL A 79 -10.152 6.378 -3.377 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.983 8.609 -2.776 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -9.050 9.548 -2.211 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.577 9.116 -2.451 1.00 0.00 C ATOM 0 H VAL A 79 -7.415 6.386 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.878 7.180 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.091 8.595 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.885 10.556 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.038 9.202 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.989 9.555 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.461 10.133 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.428 9.108 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.838 8.469 -2.924 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.275 6.746 -1.150 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.667 6.341 -1.047 1.00 0.00 C ATOM 1216 C LEU A 80 -12.544 7.351 -1.790 1.00 0.00 C ATOM 1217 O LEU A 80 -12.138 8.492 -2.003 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.061 6.145 0.418 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.614 4.832 1.063 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.917 4.827 2.563 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.235 3.630 0.349 1.00 0.00 C ATOM 0 H LEU A 80 -9.849 7.036 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.819 5.374 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.649 6.971 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.146 6.213 0.494 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.533 4.748 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.589 3.882 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.388 5.650 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.989 4.945 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.901 2.710 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.322 3.695 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.926 3.628 -0.696 1.00 0.00 H new