USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 69 SER OG : rot -87:sc= 1.54 USER MOD Set 1.2: A 71 THR OG1 : rot -54:sc= 0.633 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.507 K(o=1.1,f=-0.32) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 152:sc= 0.56 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot 59:sc= 0.601 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.176 K(o=0.42,f=-0.45) USER MOD Single : A 5 TYR OH : rot 180:sc= 0.0119 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0241 K(o=-0.024,f=-0.87) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.109 (180deg=-0.307) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -60:sc= 0.319 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.153 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -128:sc= -0.0713 (180deg=-0.887) USER MOD Single : A 47 MET CE :methyl -135:sc= -0.375 (180deg=-1.2) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.142 F(o=-0.66,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= -0.372 K(o=-0.37,f=-1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.521 USER MOD Single : A 58 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.22) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 155:sc= -3.57! (180deg=-4.32!) USER MOD Single : A 81 MET CE :methyl 141:sc= -1.4 (180deg=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -4.881 7.872 0.456 1.00 0.00 N ATOM 66 CA TYR A 5 -4.683 7.262 -0.863 1.00 0.00 C ATOM 67 C TYR A 5 -6.034 7.015 -1.537 1.00 0.00 C ATOM 68 O TYR A 5 -6.186 7.219 -2.744 1.00 0.00 O ATOM 69 CB TYR A 5 -3.933 5.928 -0.740 1.00 0.00 C ATOM 70 CG TYR A 5 -2.612 6.147 -0.037 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.561 6.795 -0.701 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.438 5.704 1.280 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.340 7.000 -0.048 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.217 5.908 1.933 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.169 6.556 1.269 1.00 0.00 C ATOM 76 OH TYR A 5 1.037 6.756 1.913 1.00 0.00 O ATOM 0 HA TYR A 5 -4.090 7.950 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.537 5.211 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.763 5.503 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.694 7.136 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.247 5.204 1.792 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.469 7.500 -0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.084 5.566 2.949 1.00 0.00 H new ATOM 0 HH TYR A 5 0.988 6.389 2.820 1.00 0.00 H new ATOM 86 N LYS A 6 -7.016 6.581 -0.736 1.00 0.00 N ATOM 87 CA LYS A 6 -8.364 6.313 -1.247 1.00 0.00 C ATOM 88 C LYS A 6 -9.068 7.613 -1.657 1.00 0.00 C ATOM 89 O LYS A 6 -9.983 7.598 -2.481 1.00 0.00 O ATOM 90 CB LYS A 6 -9.211 5.610 -0.182 1.00 0.00 C ATOM 91 CG LYS A 6 -8.858 4.119 -0.142 1.00 0.00 C ATOM 92 CD LYS A 6 -8.513 3.707 1.293 1.00 0.00 C ATOM 93 CE LYS A 6 -9.787 3.678 2.143 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.644 2.663 3.226 1.00 0.00 N ATOM 0 H LYS A 6 -6.902 6.409 0.263 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.260 5.670 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.034 6.062 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.271 5.737 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.697 3.527 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.014 3.918 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.040 2.725 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.795 4.408 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.970 4.662 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.648 3.439 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.510 2.645 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.489 1.725 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.833 2.910 3.828 1.00 0.00 H new ATOM 108 N ALA A 7 -8.636 8.737 -1.074 1.00 0.00 N ATOM 109 CA ALA A 7 -9.233 10.037 -1.390 1.00 0.00 C ATOM 110 C ALA A 7 -8.900 10.460 -2.824 1.00 0.00 C ATOM 111 O ALA A 7 -9.738 11.037 -3.518 1.00 0.00 O ATOM 112 CB ALA A 7 -8.724 11.110 -0.423 1.00 0.00 C ATOM 0 H ALA A 7 -7.882 8.772 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.314 9.936 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.178 12.069 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.992 10.836 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.640 11.189 -0.505 1.00 0.00 H new ATOM 118 N ALA A 8 -7.669 10.163 -3.260 1.00 0.00 N ATOM 119 CA ALA A 8 -7.233 10.518 -4.614 1.00 0.00 C ATOM 120 C ALA A 8 -7.905 9.627 -5.656 1.00 0.00 C ATOM 121 O ALA A 8 -8.398 10.111 -6.674 1.00 0.00 O ATOM 122 CB ALA A 8 -5.718 10.373 -4.745 1.00 0.00 C ATOM 0 H ALA A 8 -6.965 9.683 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.519 11.555 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.413 10.641 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.226 11.034 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.432 9.341 -4.541 1.00 0.00 H new ATOM 128 N VAL A 9 -7.923 8.317 -5.385 1.00 0.00 N ATOM 129 CA VAL A 9 -8.544 7.359 -6.305 1.00 0.00 C ATOM 130 C VAL A 9 -10.058 7.606 -6.408 1.00 0.00 C ATOM 131 O VAL A 9 -10.690 7.240 -7.400 1.00 0.00 O ATOM 132 CB VAL A 9 -8.274 5.918 -5.839 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.083 5.607 -4.578 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.660 4.934 -6.948 1.00 0.00 C ATOM 0 H VAL A 9 -7.520 7.900 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.103 7.499 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.212 5.817 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.882 4.584 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.798 6.297 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.146 5.718 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.467 3.915 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.719 5.045 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.069 5.141 -7.840 1.00 0.00 H new ATOM 144 N GLU A 10 -10.628 8.240 -5.377 1.00 0.00 N ATOM 145 CA GLU A 10 -12.058 8.544 -5.368 1.00 0.00 C ATOM 146 C GLU A 10 -12.361 9.817 -6.168 1.00 0.00 C ATOM 147 O GLU A 10 -13.509 10.050 -6.553 1.00 0.00 O ATOM 148 CB GLU A 10 -12.559 8.729 -3.931 1.00 0.00 C ATOM 149 CG GLU A 10 -12.940 7.369 -3.338 1.00 0.00 C ATOM 150 CD GLU A 10 -14.271 6.904 -3.924 1.00 0.00 C ATOM 151 OE1 GLU A 10 -15.297 7.368 -3.453 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.244 6.091 -4.833 1.00 0.00 O ATOM 0 H GLU A 10 -10.124 8.549 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.572 7.702 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.785 9.198 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.421 9.396 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.162 6.637 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.016 7.443 -2.253 1.00 0.00 H new ATOM 159 N GLN A 11 -11.332 10.644 -6.411 1.00 0.00 N ATOM 160 CA GLN A 11 -11.528 11.888 -7.162 1.00 0.00 C ATOM 161 C GLN A 11 -10.485 12.043 -8.279 1.00 0.00 C ATOM 162 O GLN A 11 -10.113 13.161 -8.647 1.00 0.00 O ATOM 163 CB GLN A 11 -11.457 13.099 -6.216 1.00 0.00 C ATOM 164 CG GLN A 11 -10.031 13.261 -5.665 1.00 0.00 C ATOM 165 CD GLN A 11 -10.067 14.000 -4.326 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.045 14.676 -4.002 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.043 13.911 -3.520 1.00 0.00 N ATOM 0 H GLN A 11 -10.374 10.476 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.515 11.842 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.754 14.003 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.160 12.968 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.569 12.282 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.418 13.813 -6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.232 13.352 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.054 14.400 -2.625 1.00 0.00 H new ATOM 176 N LEU A 12 -10.025 10.911 -8.825 1.00 0.00 N ATOM 177 CA LEU A 12 -9.033 10.945 -9.907 1.00 0.00 C ATOM 178 C LEU A 12 -9.708 11.210 -11.256 1.00 0.00 C ATOM 179 O LEU A 12 -10.920 11.422 -11.327 1.00 0.00 O ATOM 180 CB LEU A 12 -8.240 9.629 -9.983 1.00 0.00 C ATOM 181 CG LEU A 12 -9.024 8.341 -9.701 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.311 8.310 -10.529 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.153 7.138 -10.065 1.00 0.00 C ATOM 0 H LEU A 12 -10.317 9.976 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.341 11.757 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.802 9.551 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.413 9.687 -9.275 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.287 8.305 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.857 7.390 -10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.931 9.168 -10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.062 8.350 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.703 6.218 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.891 7.185 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.243 7.153 -9.465 1.00 0.00 H new ATOM 195 N THR A 13 -8.905 11.204 -12.325 1.00 0.00 N ATOM 196 CA THR A 13 -9.432 11.453 -13.670 1.00 0.00 C ATOM 197 C THR A 13 -9.444 10.178 -14.506 1.00 0.00 C ATOM 198 O THR A 13 -8.870 9.154 -14.123 1.00 0.00 O ATOM 199 CB THR A 13 -8.582 12.504 -14.405 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.304 12.618 -13.792 1.00 0.00 O ATOM 201 CG2 THR A 13 -9.292 13.854 -14.368 1.00 0.00 C ATOM 0 H THR A 13 -7.900 11.032 -12.287 1.00 0.00 H new ATOM 0 HA THR A 13 -10.452 11.817 -13.548 1.00 0.00 H new ATOM 0 HB THR A 13 -8.450 12.191 -15.441 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.855 11.747 -13.808 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.688 14.597 -14.889 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.263 13.768 -14.856 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.433 14.163 -13.332 1.00 0.00 H new ATOM 209 N ASP A 14 -10.087 10.268 -15.674 1.00 0.00 N ATOM 210 CA ASP A 14 -10.157 9.134 -16.597 1.00 0.00 C ATOM 211 C ASP A 14 -8.754 8.783 -17.092 1.00 0.00 C ATOM 212 O ASP A 14 -8.454 7.622 -17.372 1.00 0.00 O ATOM 213 CB ASP A 14 -11.039 9.470 -17.804 1.00 0.00 C ATOM 214 CG ASP A 14 -12.486 9.647 -17.350 1.00 0.00 C ATOM 215 OD1 ASP A 14 -13.171 8.647 -17.211 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.889 10.782 -17.150 1.00 0.00 O ATOM 0 H ASP A 14 -10.563 11.109 -16.000 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.589 8.287 -16.064 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.684 10.382 -18.283 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.975 8.674 -18.546 1.00 0.00 H new ATOM 221 N GLU A 15 -7.891 9.810 -17.179 1.00 0.00 N ATOM 222 CA GLU A 15 -6.508 9.614 -17.619 1.00 0.00 C ATOM 223 C GLU A 15 -5.808 8.585 -16.729 1.00 0.00 C ATOM 224 O GLU A 15 -5.029 7.767 -17.212 1.00 0.00 O ATOM 225 CB GLU A 15 -5.730 10.932 -17.565 1.00 0.00 C ATOM 226 CG GLU A 15 -6.045 11.765 -18.811 1.00 0.00 C ATOM 227 CD GLU A 15 -4.846 12.642 -19.156 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.978 12.171 -19.873 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.813 13.774 -18.700 1.00 0.00 O ATOM 0 H GLU A 15 -8.129 10.775 -16.951 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.532 9.253 -18.647 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.998 11.488 -16.666 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.660 10.732 -17.509 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.282 11.109 -19.649 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.923 12.386 -18.634 1.00 0.00 H new ATOM 236 N GLN A 16 -6.112 8.629 -15.425 1.00 0.00 N ATOM 237 CA GLN A 16 -5.525 7.686 -14.467 1.00 0.00 C ATOM 238 C GLN A 16 -6.047 6.274 -14.733 1.00 0.00 C ATOM 239 O GLN A 16 -5.285 5.305 -14.741 1.00 0.00 O ATOM 240 CB GLN A 16 -5.889 8.080 -13.032 1.00 0.00 C ATOM 241 CG GLN A 16 -4.735 8.862 -12.405 1.00 0.00 C ATOM 242 CD GLN A 16 -5.156 10.309 -12.185 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.117 11.120 -13.110 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.552 10.687 -11.000 1.00 0.00 N ATOM 0 H GLN A 16 -6.757 9.303 -15.012 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.442 7.712 -14.588 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.795 8.686 -13.029 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.100 7.188 -12.442 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.448 8.408 -11.456 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.861 8.822 -13.054 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.584 10.014 -10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.830 11.655 -10.840 1.00 0.00 H new ATOM 253 N LYS A 17 -7.363 6.181 -14.954 1.00 0.00 N ATOM 254 CA LYS A 17 -8.014 4.895 -15.229 1.00 0.00 C ATOM 255 C LYS A 17 -7.425 4.229 -16.480 1.00 0.00 C ATOM 256 O LYS A 17 -7.480 3.010 -16.619 1.00 0.00 O ATOM 257 CB LYS A 17 -9.522 5.085 -15.441 1.00 0.00 C ATOM 258 CG LYS A 17 -10.145 5.772 -14.219 1.00 0.00 C ATOM 259 CD LYS A 17 -10.117 4.824 -13.018 1.00 0.00 C ATOM 260 CE LYS A 17 -11.549 4.475 -12.602 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.071 5.514 -11.668 1.00 0.00 N ATOM 0 H LYS A 17 -7.997 6.980 -14.948 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.839 4.255 -14.364 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.699 5.684 -16.334 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.998 4.119 -15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.597 6.685 -13.986 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.172 6.064 -14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.570 3.916 -13.272 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.590 5.291 -12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.188 4.411 -13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.570 3.497 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.099 5.400 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.613 5.408 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.865 6.459 -12.050 1.00 0.00 H new ATOM 275 N ASN A 18 -6.871 5.040 -17.388 1.00 0.00 N ATOM 276 CA ASN A 18 -6.281 4.513 -18.622 1.00 0.00 C ATOM 277 C ASN A 18 -4.754 4.412 -18.515 1.00 0.00 C ATOM 278 O ASN A 18 -4.135 3.572 -19.170 1.00 0.00 O ATOM 279 CB ASN A 18 -6.635 5.417 -19.807 1.00 0.00 C ATOM 280 CG ASN A 18 -7.864 4.866 -20.525 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.785 3.845 -21.208 1.00 0.00 O ATOM 282 ND2 ASN A 18 -9.007 5.488 -20.412 1.00 0.00 N ATOM 0 H ASN A 18 -6.819 6.054 -17.293 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.690 3.515 -18.778 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.830 6.431 -19.458 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.794 5.474 -20.497 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.833 5.128 -20.889 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.073 6.334 -19.846 1.00 0.00 H new ATOM 289 N GLU A 19 -4.157 5.281 -17.690 1.00 0.00 N ATOM 290 CA GLU A 19 -2.701 5.295 -17.506 1.00 0.00 C ATOM 291 C GLU A 19 -2.191 3.933 -17.035 1.00 0.00 C ATOM 292 O GLU A 19 -1.277 3.361 -17.631 1.00 0.00 O ATOM 293 CB GLU A 19 -2.305 6.358 -16.471 1.00 0.00 C ATOM 294 CG GLU A 19 -0.791 6.573 -16.503 1.00 0.00 C ATOM 295 CD GLU A 19 -0.391 7.550 -15.401 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.181 7.101 -14.286 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.301 8.733 -15.688 1.00 0.00 O ATOM 0 H GLU A 19 -4.657 5.981 -17.142 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.250 5.529 -18.470 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.819 7.295 -16.684 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.616 6.043 -15.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.275 5.623 -16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.489 6.962 -17.475 1.00 0.00 H new ATOM 304 N PHE A 20 -2.788 3.428 -15.954 1.00 0.00 N ATOM 305 CA PHE A 20 -2.382 2.137 -15.399 1.00 0.00 C ATOM 306 C PHE A 20 -3.054 0.976 -16.131 1.00 0.00 C ATOM 307 O PHE A 20 -2.446 -0.076 -16.317 1.00 0.00 O ATOM 308 CB PHE A 20 -2.744 2.056 -13.917 1.00 0.00 C ATOM 309 CG PHE A 20 -1.671 2.724 -13.092 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.558 1.992 -12.660 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.792 4.077 -12.757 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.432 2.611 -11.892 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.802 4.698 -11.990 1.00 0.00 C ATOM 314 CZ PHE A 20 0.310 3.965 -11.555 1.00 0.00 C ATOM 0 H PHE A 20 -3.546 3.888 -15.450 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.302 2.058 -15.525 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.705 2.539 -13.741 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.851 1.014 -13.616 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.465 0.948 -12.921 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.650 4.641 -13.091 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.290 2.046 -11.559 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.894 5.743 -11.733 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.073 4.444 -10.960 1.00 0.00 H new ATOM 324 N LYS A 21 -4.315 1.168 -16.536 1.00 0.00 N ATOM 325 CA LYS A 21 -5.056 0.113 -17.235 1.00 0.00 C ATOM 326 C LYS A 21 -4.335 -0.305 -18.522 1.00 0.00 C ATOM 327 O LYS A 21 -4.398 -1.468 -18.922 1.00 0.00 O ATOM 328 CB LYS A 21 -6.475 0.580 -17.562 1.00 0.00 C ATOM 329 CG LYS A 21 -7.237 -0.519 -18.312 1.00 0.00 C ATOM 330 CD LYS A 21 -7.419 -0.113 -19.777 1.00 0.00 C ATOM 331 CE LYS A 21 -8.803 0.513 -19.967 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.925 1.047 -21.354 1.00 0.00 N ATOM 0 H LYS A 21 -4.838 2.032 -16.394 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.111 -0.751 -16.573 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.002 0.835 -16.643 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.437 1.485 -18.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.691 -1.460 -18.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.209 -0.683 -17.847 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.644 0.597 -20.067 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.311 -0.984 -20.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.578 -0.231 -19.784 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.953 1.314 -19.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.923 1.031 -21.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.572 2.025 -21.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.365 0.458 -22.003 1.00 0.00 H new ATOM 346 N ALA A 22 -3.633 0.645 -19.154 1.00 0.00 N ATOM 347 CA ALA A 22 -2.888 0.343 -20.380 1.00 0.00 C ATOM 348 C ALA A 22 -1.861 -0.753 -20.096 1.00 0.00 C ATOM 349 O ALA A 22 -1.835 -1.788 -20.766 1.00 0.00 O ATOM 350 CB ALA A 22 -2.164 1.589 -20.898 1.00 0.00 C ATOM 0 H ALA A 22 -3.566 1.614 -18.842 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.594 0.007 -21.139 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.618 1.341 -21.808 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.893 2.370 -21.114 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.465 1.945 -20.141 1.00 0.00 H new ATOM 356 N ALA A 23 -1.034 -0.521 -19.071 1.00 0.00 N ATOM 357 CA ALA A 23 -0.023 -1.497 -18.668 1.00 0.00 C ATOM 358 C ALA A 23 -0.698 -2.726 -18.049 1.00 0.00 C ATOM 359 O ALA A 23 -0.214 -3.847 -18.181 1.00 0.00 O ATOM 360 CB ALA A 23 0.941 -0.886 -17.646 1.00 0.00 C ATOM 0 H ALA A 23 -1.046 0.330 -18.510 1.00 0.00 H new ATOM 0 HA ALA A 23 0.538 -1.792 -19.555 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.686 -1.629 -17.359 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.440 -0.023 -18.087 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.384 -0.571 -16.764 1.00 0.00 H new ATOM 366 N PHE A 24 -1.832 -2.497 -17.380 1.00 0.00 N ATOM 367 CA PHE A 24 -2.578 -3.589 -16.753 1.00 0.00 C ATOM 368 C PHE A 24 -3.046 -4.594 -17.810 1.00 0.00 C ATOM 369 O PHE A 24 -3.024 -5.799 -17.585 1.00 0.00 O ATOM 370 CB PHE A 24 -3.805 -3.043 -16.009 1.00 0.00 C ATOM 371 CG PHE A 24 -4.148 -3.942 -14.843 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.573 -5.257 -15.067 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.042 -3.458 -13.535 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.892 -6.084 -13.983 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.359 -4.284 -12.454 1.00 0.00 C ATOM 376 CZ PHE A 24 -4.782 -5.595 -12.676 1.00 0.00 C ATOM 0 H PHE A 24 -2.249 -1.574 -17.260 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.914 -4.086 -16.046 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.604 -2.033 -15.652 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.654 -2.978 -16.690 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.655 -5.634 -16.076 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.714 -2.444 -13.360 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.222 -7.098 -14.155 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.277 -3.907 -11.445 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.025 -6.233 -11.839 1.00 0.00 H new ATOM 386 N ASP A 25 -3.476 -4.076 -18.966 1.00 0.00 N ATOM 387 CA ASP A 25 -3.959 -4.930 -20.054 1.00 0.00 C ATOM 388 C ASP A 25 -2.829 -5.776 -20.651 1.00 0.00 C ATOM 389 O ASP A 25 -3.014 -6.963 -20.914 1.00 0.00 O ATOM 390 CB ASP A 25 -4.584 -4.080 -21.166 1.00 0.00 C ATOM 391 CG ASP A 25 -5.681 -4.880 -21.864 1.00 0.00 C ATOM 392 OD1 ASP A 25 -5.346 -5.702 -22.702 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.839 -4.662 -21.548 1.00 0.00 O ATOM 0 H ASP A 25 -3.499 -3.077 -19.170 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.710 -5.597 -19.630 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.998 -3.163 -20.748 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.820 -3.785 -21.886 1.00 0.00 H new ATOM 398 N ILE A 26 -1.663 -5.159 -20.873 1.00 0.00 N ATOM 399 CA ILE A 26 -0.524 -5.887 -21.452 1.00 0.00 C ATOM 400 C ILE A 26 0.009 -6.946 -20.477 1.00 0.00 C ATOM 401 O ILE A 26 0.365 -8.052 -20.889 1.00 0.00 O ATOM 402 CB ILE A 26 0.615 -4.932 -21.852 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.995 -4.034 -20.667 1.00 0.00 C ATOM 404 CG2 ILE A 26 0.152 -4.061 -23.022 1.00 0.00 C ATOM 405 CD1 ILE A 26 2.210 -3.174 -21.025 1.00 0.00 C ATOM 0 H ILE A 26 -1.483 -4.177 -20.666 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.889 -6.384 -22.351 1.00 0.00 H new ATOM 0 HB ILE A 26 1.486 -5.517 -22.145 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.153 -3.395 -20.401 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.218 -4.647 -19.794 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.955 -3.382 -23.310 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.107 -4.697 -23.869 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.722 -3.483 -22.722 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.470 -2.541 -20.177 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.054 -3.820 -21.268 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.972 -2.548 -21.885 1.00 0.00 H new ATOM 417 N PHE A 27 0.050 -6.604 -19.183 1.00 0.00 N ATOM 418 CA PHE A 27 0.532 -7.548 -18.165 1.00 0.00 C ATOM 419 C PHE A 27 -0.560 -8.569 -17.818 1.00 0.00 C ATOM 420 O PHE A 27 -0.270 -9.735 -17.547 1.00 0.00 O ATOM 421 CB PHE A 27 0.973 -6.805 -16.893 1.00 0.00 C ATOM 422 CG PHE A 27 2.184 -5.948 -17.207 1.00 0.00 C ATOM 423 CD1 PHE A 27 3.314 -6.526 -17.803 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.173 -4.576 -16.918 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.426 -5.734 -18.112 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.287 -3.787 -17.228 1.00 0.00 C ATOM 427 CZ PHE A 27 4.412 -4.366 -17.827 1.00 0.00 C ATOM 0 H PHE A 27 -0.239 -5.696 -18.819 1.00 0.00 H new ATOM 0 HA PHE A 27 1.393 -8.074 -18.577 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.159 -6.182 -16.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.213 -7.519 -16.106 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.326 -7.583 -18.024 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.305 -4.128 -16.456 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.296 -6.181 -18.571 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.279 -2.730 -17.005 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.269 -3.755 -18.069 1.00 0.00 H new ATOM 437 N ILE A 28 -1.818 -8.114 -17.848 1.00 0.00 N ATOM 438 CA ILE A 28 -2.960 -8.980 -17.555 1.00 0.00 C ATOM 439 C ILE A 28 -3.939 -8.930 -18.734 1.00 0.00 C ATOM 440 O ILE A 28 -5.011 -8.321 -18.668 1.00 0.00 O ATOM 441 CB ILE A 28 -3.639 -8.531 -16.247 1.00 0.00 C ATOM 442 CG1 ILE A 28 -2.765 -8.962 -15.064 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.033 -9.151 -16.105 1.00 0.00 C ATOM 444 CD1 ILE A 28 -2.657 -10.493 -15.019 1.00 0.00 C ATOM 0 H ILE A 28 -2.068 -7.151 -18.072 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.625 -10.008 -17.420 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.751 -7.447 -16.264 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.772 -8.522 -15.156 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.192 -8.592 -14.132 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.487 -8.816 -15.173 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.656 -8.841 -16.944 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.949 -10.238 -16.097 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.034 -10.789 -14.175 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.651 -10.925 -14.905 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.209 -10.854 -15.945 1.00 0.00 H new ATOM 456 N GLN A 29 -3.525 -9.562 -19.831 1.00 0.00 N ATOM 457 CA GLN A 29 -4.328 -9.590 -21.053 1.00 0.00 C ATOM 458 C GLN A 29 -5.409 -10.669 -21.000 1.00 0.00 C ATOM 459 O GLN A 29 -6.595 -10.382 -21.176 1.00 0.00 O ATOM 460 CB GLN A 29 -3.432 -9.840 -22.271 1.00 0.00 C ATOM 461 CG GLN A 29 -4.216 -9.549 -23.552 1.00 0.00 C ATOM 462 CD GLN A 29 -3.247 -9.416 -24.723 1.00 0.00 C ATOM 463 OE1 GLN A 29 -3.095 -10.345 -25.516 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.575 -8.307 -24.879 1.00 0.00 N ATOM 0 H GLN A 29 -2.638 -10.062 -19.899 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.815 -8.619 -21.139 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.548 -9.205 -22.221 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.083 -10.873 -22.273 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.928 -10.351 -23.745 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.793 -8.631 -23.437 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.701 -7.537 -24.222 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.924 -8.211 -25.658 1.00 0.00 H new ATOM 473 N ASP A 30 -4.985 -11.917 -20.783 1.00 0.00 N ATOM 474 CA ASP A 30 -5.927 -13.038 -20.743 1.00 0.00 C ATOM 475 C ASP A 30 -6.088 -13.589 -19.322 1.00 0.00 C ATOM 476 O ASP A 30 -6.215 -14.800 -19.125 1.00 0.00 O ATOM 477 CB ASP A 30 -5.450 -14.161 -21.674 1.00 0.00 C ATOM 478 CG ASP A 30 -5.430 -13.660 -23.118 1.00 0.00 C ATOM 479 OD1 ASP A 30 -6.444 -13.790 -23.784 1.00 0.00 O ATOM 480 OD2 ASP A 30 -4.400 -13.155 -23.536 1.00 0.00 O ATOM 0 H ASP A 30 -4.009 -12.174 -20.634 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.895 -12.666 -21.078 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.454 -14.492 -21.380 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.111 -15.024 -21.587 1.00 0.00 H new ATOM 485 N ALA A 31 -6.104 -12.690 -18.333 1.00 0.00 N ATOM 486 CA ALA A 31 -6.272 -13.110 -16.941 1.00 0.00 C ATOM 487 C ALA A 31 -7.723 -12.918 -16.501 1.00 0.00 C ATOM 488 O ALA A 31 -8.450 -12.084 -17.048 1.00 0.00 O ATOM 489 CB ALA A 31 -5.359 -12.311 -16.011 1.00 0.00 C ATOM 0 H ALA A 31 -6.004 -11.684 -18.467 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.004 -14.165 -16.879 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.505 -12.644 -14.983 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.319 -12.468 -16.299 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.601 -11.251 -16.086 1.00 0.00 H new ATOM 495 N GLU A 32 -8.133 -13.707 -15.508 1.00 0.00 N ATOM 496 CA GLU A 32 -9.503 -13.634 -14.989 1.00 0.00 C ATOM 497 C GLU A 32 -9.541 -13.094 -13.551 1.00 0.00 C ATOM 498 O GLU A 32 -10.616 -12.801 -13.024 1.00 0.00 O ATOM 499 CB GLU A 32 -10.157 -15.019 -15.011 1.00 0.00 C ATOM 500 CG GLU A 32 -10.397 -15.452 -16.462 1.00 0.00 C ATOM 501 CD GLU A 32 -9.930 -16.892 -16.650 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.762 -17.082 -16.946 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.748 -17.785 -16.494 1.00 0.00 O ATOM 0 H GLU A 32 -7.543 -14.400 -15.048 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.052 -12.949 -15.635 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.517 -15.743 -14.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.101 -14.995 -14.467 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.456 -15.367 -16.707 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.859 -14.793 -17.143 1.00 0.00 H new ATOM 510 N ASP A 33 -8.366 -12.961 -12.921 1.00 0.00 N ATOM 511 CA ASP A 33 -8.297 -12.456 -11.548 1.00 0.00 C ATOM 512 C ASP A 33 -8.350 -10.927 -11.525 1.00 0.00 C ATOM 513 O ASP A 33 -8.889 -10.330 -10.590 1.00 0.00 O ATOM 514 CB ASP A 33 -7.002 -12.920 -10.871 1.00 0.00 C ATOM 515 CG ASP A 33 -7.178 -14.344 -10.348 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.019 -15.267 -11.131 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.469 -14.491 -9.172 1.00 0.00 O ATOM 0 H ASP A 33 -7.463 -13.193 -13.335 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.156 -12.852 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.175 -12.882 -11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.749 -12.249 -10.050 1.00 0.00 H new ATOM 522 N GLY A 34 -7.778 -10.299 -12.559 1.00 0.00 N ATOM 523 CA GLY A 34 -7.756 -8.839 -12.641 1.00 0.00 C ATOM 524 C GLY A 34 -6.653 -8.269 -11.751 1.00 0.00 C ATOM 525 O GLY A 34 -6.840 -7.246 -11.090 1.00 0.00 O ATOM 0 H GLY A 34 -7.329 -10.775 -13.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.594 -8.529 -13.674 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.722 -8.437 -12.335 1.00 0.00 H new ATOM 529 N CYS A 35 -5.503 -8.953 -11.743 1.00 0.00 N ATOM 530 CA CYS A 35 -4.361 -8.527 -10.931 1.00 0.00 C ATOM 531 C CYS A 35 -3.057 -8.817 -11.671 1.00 0.00 C ATOM 532 O CYS A 35 -2.845 -9.930 -12.156 1.00 0.00 O ATOM 533 CB CYS A 35 -4.332 -9.271 -9.592 1.00 0.00 C ATOM 534 SG CYS A 35 -6.013 -9.454 -8.938 1.00 0.00 S ATOM 0 H CYS A 35 -5.340 -9.800 -12.288 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.464 -7.457 -10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.877 -10.253 -9.723 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.714 -8.726 -8.878 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.542 -8.279 -8.766 1.00 0.00 H new ATOM 540 N ILE A 36 -2.179 -7.812 -11.746 1.00 0.00 N ATOM 541 CA ILE A 36 -0.893 -7.993 -12.432 1.00 0.00 C ATOM 542 C ILE A 36 0.075 -8.756 -11.526 1.00 0.00 C ATOM 543 O ILE A 36 -0.232 -9.030 -10.366 1.00 0.00 O ATOM 544 CB ILE A 36 -0.265 -6.643 -12.842 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.354 -5.946 -11.620 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.334 -5.734 -13.456 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.882 -6.046 -11.688 1.00 0.00 C ATOM 0 H ILE A 36 -2.328 -6.884 -11.350 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.081 -8.564 -13.341 1.00 0.00 H new ATOM 0 HB ILE A 36 0.517 -6.835 -13.577 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.049 -4.900 -11.593 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.010 -6.408 -10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.883 -4.784 -13.742 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.758 -6.215 -14.338 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.123 -5.555 -12.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.318 -5.551 -10.820 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.178 -7.095 -11.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.238 -5.563 -12.598 1.00 0.00 H new ATOM 559 N SER A 37 1.237 -9.111 -12.071 1.00 0.00 N ATOM 560 CA SER A 37 2.227 -9.860 -11.299 1.00 0.00 C ATOM 561 C SER A 37 3.176 -8.923 -10.554 1.00 0.00 C ATOM 562 O SER A 37 4.023 -8.263 -11.162 1.00 0.00 O ATOM 563 CB SER A 37 3.046 -10.770 -12.220 1.00 0.00 C ATOM 564 OG SER A 37 3.950 -11.543 -11.439 1.00 0.00 O ATOM 0 H SER A 37 1.514 -8.896 -13.029 1.00 0.00 H new ATOM 0 HA SER A 37 1.684 -10.463 -10.571 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.383 -11.426 -12.784 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.596 -10.171 -12.946 1.00 0.00 H new ATOM 0 HG SER A 37 4.474 -12.127 -12.027 1.00 0.00 H new ATOM 570 N THR A 38 3.040 -8.892 -9.222 1.00 0.00 N ATOM 571 CA THR A 38 3.912 -8.059 -8.379 1.00 0.00 C ATOM 572 C THR A 38 5.375 -8.437 -8.614 1.00 0.00 C ATOM 573 O THR A 38 6.270 -7.597 -8.527 1.00 0.00 O ATOM 574 CB THR A 38 3.593 -8.245 -6.890 1.00 0.00 C ATOM 575 OG1 THR A 38 3.792 -9.603 -6.526 1.00 0.00 O ATOM 576 CG2 THR A 38 2.144 -7.848 -6.620 1.00 0.00 C ATOM 0 H THR A 38 2.342 -9.428 -8.707 1.00 0.00 H new ATOM 0 HA THR A 38 3.738 -7.018 -8.651 1.00 0.00 H new ATOM 0 HB THR A 38 4.255 -7.612 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.213 -9.646 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.921 -7.982 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.996 -6.803 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.478 -8.475 -7.213 1.00 0.00 H new ATOM 584 N LYS A 39 5.600 -9.718 -8.933 1.00 0.00 N ATOM 585 CA LYS A 39 6.952 -10.208 -9.211 1.00 0.00 C ATOM 586 C LYS A 39 7.501 -9.507 -10.456 1.00 0.00 C ATOM 587 O LYS A 39 8.700 -9.249 -10.564 1.00 0.00 O ATOM 588 CB LYS A 39 6.953 -11.727 -9.454 1.00 0.00 C ATOM 589 CG LYS A 39 6.107 -12.451 -8.393 1.00 0.00 C ATOM 590 CD LYS A 39 6.446 -11.929 -6.992 1.00 0.00 C ATOM 591 CE LYS A 39 7.790 -12.506 -6.535 1.00 0.00 C ATOM 592 NZ LYS A 39 7.632 -13.144 -5.197 1.00 0.00 N ATOM 0 H LYS A 39 4.870 -10.426 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 39 7.577 -9.992 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.559 -11.941 -10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.976 -12.103 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.047 -12.299 -8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.291 -13.524 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.491 -10.840 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.661 -12.210 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.147 -13.239 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.539 -11.715 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.545 -13.535 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.310 -12.433 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.931 -13.910 -5.258 1.00 0.00 H new ATOM 606 N GLU A 40 6.590 -9.191 -11.384 1.00 0.00 N ATOM 607 CA GLU A 40 6.959 -8.503 -12.622 1.00 0.00 C ATOM 608 C GLU A 40 6.684 -6.992 -12.520 1.00 0.00 C ATOM 609 O GLU A 40 6.595 -6.305 -13.540 1.00 0.00 O ATOM 610 CB GLU A 40 6.171 -9.074 -13.809 1.00 0.00 C ATOM 611 CG GLU A 40 6.459 -10.573 -13.958 1.00 0.00 C ATOM 612 CD GLU A 40 7.897 -10.778 -14.430 1.00 0.00 C ATOM 613 OE1 GLU A 40 8.124 -10.699 -15.627 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.748 -11.012 -13.588 1.00 0.00 O ATOM 0 H GLU A 40 5.595 -9.401 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 40 8.026 -8.661 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.103 -8.914 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.446 -8.550 -14.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.303 -11.079 -13.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.765 -11.017 -14.672 1.00 0.00 H new ATOM 621 N LEU A 41 6.558 -6.478 -11.284 1.00 0.00 N ATOM 622 CA LEU A 41 6.309 -5.045 -11.073 1.00 0.00 C ATOM 623 C LEU A 41 7.434 -4.203 -11.691 1.00 0.00 C ATOM 624 O LEU A 41 7.213 -3.067 -12.101 1.00 0.00 O ATOM 625 CB LEU A 41 6.201 -4.726 -9.575 1.00 0.00 C ATOM 626 CG LEU A 41 5.243 -3.584 -9.197 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.776 -2.257 -9.739 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.852 -3.854 -9.784 1.00 0.00 C ATOM 0 H LEU A 41 6.624 -7.027 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 41 5.366 -4.797 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.882 -5.629 -9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.195 -4.478 -9.204 1.00 0.00 H new ATOM 0 HG LEU A 41 5.172 -3.528 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.093 -1.452 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.759 -2.058 -9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.857 -2.314 -10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.178 -3.041 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.922 -3.920 -10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.466 -4.793 -9.388 1.00 0.00 H new ATOM 640 N GLY A 42 8.642 -4.778 -11.774 1.00 0.00 N ATOM 641 CA GLY A 42 9.778 -4.070 -12.370 1.00 0.00 C ATOM 642 C GLY A 42 9.576 -3.878 -13.879 1.00 0.00 C ATOM 643 O GLY A 42 10.178 -2.989 -14.487 1.00 0.00 O ATOM 0 H GLY A 42 8.854 -5.718 -11.440 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.899 -3.099 -11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.695 -4.631 -12.191 1.00 0.00 H new ATOM 647 N LYS A 43 8.713 -4.715 -14.474 1.00 0.00 N ATOM 648 CA LYS A 43 8.421 -4.638 -15.903 1.00 0.00 C ATOM 649 C LYS A 43 7.405 -3.527 -16.187 1.00 0.00 C ATOM 650 O LYS A 43 7.390 -2.945 -17.271 1.00 0.00 O ATOM 651 CB LYS A 43 7.850 -5.971 -16.388 1.00 0.00 C ATOM 652 CG LYS A 43 8.188 -6.170 -17.862 1.00 0.00 C ATOM 653 CD LYS A 43 9.576 -6.807 -17.992 1.00 0.00 C ATOM 654 CE LYS A 43 10.289 -6.245 -19.226 1.00 0.00 C ATOM 655 NZ LYS A 43 9.693 -6.832 -20.463 1.00 0.00 N ATOM 0 H LYS A 43 8.207 -5.452 -13.982 1.00 0.00 H new ATOM 0 HA LYS A 43 9.349 -4.417 -16.431 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.261 -6.790 -15.797 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.769 -5.987 -16.248 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.439 -6.806 -18.334 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.166 -5.213 -18.383 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.164 -6.605 -17.097 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.483 -7.890 -18.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.198 -5.159 -19.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.353 -6.475 -19.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.179 -6.448 -21.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.802 -7.866 -20.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.682 -6.591 -20.510 1.00 0.00 H new ATOM 669 N VAL A 44 6.563 -3.240 -15.193 1.00 0.00 N ATOM 670 CA VAL A 44 5.555 -2.192 -15.327 1.00 0.00 C ATOM 671 C VAL A 44 6.099 -0.869 -14.784 1.00 0.00 C ATOM 672 O VAL A 44 5.763 0.203 -15.288 1.00 0.00 O ATOM 673 CB VAL A 44 4.265 -2.581 -14.588 1.00 0.00 C ATOM 674 CG1 VAL A 44 4.527 -2.702 -13.088 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.186 -1.524 -14.846 1.00 0.00 C ATOM 0 H VAL A 44 6.560 -3.717 -14.291 1.00 0.00 H new ATOM 0 HA VAL A 44 5.320 -2.071 -16.384 1.00 0.00 H new ATOM 0 HB VAL A 44 3.922 -3.546 -14.960 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.604 -2.978 -12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.282 -3.468 -12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.882 -1.746 -12.702 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.272 -1.802 -14.321 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.532 -0.555 -14.485 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.986 -1.462 -15.916 1.00 0.00 H new ATOM 685 N MET A 45 6.959 -0.961 -13.759 1.00 0.00 N ATOM 686 CA MET A 45 7.567 0.228 -13.164 1.00 0.00 C ATOM 687 C MET A 45 8.328 1.009 -14.233 1.00 0.00 C ATOM 688 O MET A 45 8.274 2.238 -14.272 1.00 0.00 O ATOM 689 CB MET A 45 8.537 -0.158 -12.041 1.00 0.00 C ATOM 690 CG MET A 45 7.898 0.137 -10.683 1.00 0.00 C ATOM 691 SD MET A 45 8.822 -0.720 -9.384 1.00 0.00 S ATOM 692 CE MET A 45 7.964 0.008 -7.968 1.00 0.00 C ATOM 0 H MET A 45 7.245 -1.841 -13.331 1.00 0.00 H new ATOM 0 HA MET A 45 6.771 0.844 -12.747 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.789 -1.216 -12.113 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.468 0.399 -12.144 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.896 1.211 -10.495 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.858 -0.189 -10.680 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.695 0.424 -7.274 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.300 0.800 -8.313 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.380 -0.761 -7.462 1.00 0.00 H new ATOM 702 N ARG A 46 9.026 0.274 -15.112 1.00 0.00 N ATOM 703 CA ARG A 46 9.783 0.910 -16.196 1.00 0.00 C ATOM 704 C ARG A 46 8.837 1.693 -17.116 1.00 0.00 C ATOM 705 O ARG A 46 9.205 2.735 -17.662 1.00 0.00 O ATOM 706 CB ARG A 46 10.563 -0.131 -17.016 1.00 0.00 C ATOM 707 CG ARG A 46 9.616 -1.213 -17.548 1.00 0.00 C ATOM 708 CD ARG A 46 10.260 -1.922 -18.742 1.00 0.00 C ATOM 709 NE ARG A 46 9.283 -2.772 -19.427 1.00 0.00 N ATOM 710 CZ ARG A 46 9.478 -3.214 -20.678 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.580 -2.922 -21.330 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.563 -3.952 -21.251 1.00 0.00 N ATOM 0 H ARG A 46 9.081 -0.744 -15.094 1.00 0.00 H new ATOM 0 HA ARG A 46 10.499 1.597 -15.745 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.070 0.358 -17.848 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.335 -0.587 -16.396 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.394 -1.934 -16.761 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.668 -0.765 -17.847 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.659 -1.184 -19.438 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.101 -2.527 -18.402 1.00 0.00 H new ATOM 0 HE ARG A 46 8.428 -3.036 -18.937 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.300 -2.353 -20.885 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.716 -3.265 -22.281 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.708 -4.188 -20.747 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.704 -4.292 -22.202 1.00 0.00 H new ATOM 726 N MET A 47 7.605 1.186 -17.257 1.00 0.00 N ATOM 727 CA MET A 47 6.591 1.845 -18.083 1.00 0.00 C ATOM 728 C MET A 47 6.059 3.097 -17.376 1.00 0.00 C ATOM 729 O MET A 47 5.668 4.070 -18.024 1.00 0.00 O ATOM 730 CB MET A 47 5.418 0.895 -18.349 1.00 0.00 C ATOM 731 CG MET A 47 5.475 0.381 -19.790 1.00 0.00 C ATOM 732 SD MET A 47 6.901 -0.717 -19.990 1.00 0.00 S ATOM 733 CE MET A 47 7.907 0.391 -21.008 1.00 0.00 C ATOM 0 H MET A 47 7.290 0.325 -16.811 1.00 0.00 H new ATOM 0 HA MET A 47 7.057 2.126 -19.028 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.454 0.056 -17.654 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.474 1.412 -18.176 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.556 -0.153 -20.033 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.549 1.219 -20.483 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.334 -0.168 -21.841 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.283 1.197 -21.394 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.710 0.812 -20.403 1.00 0.00 H new ATOM 743 N LEU A 48 6.059 3.060 -16.035 1.00 0.00 N ATOM 744 CA LEU A 48 5.587 4.192 -15.235 1.00 0.00 C ATOM 745 C LEU A 48 6.616 5.324 -15.257 1.00 0.00 C ATOM 746 O LEU A 48 6.261 6.503 -15.187 1.00 0.00 O ATOM 747 CB LEU A 48 5.357 3.763 -13.779 1.00 0.00 C ATOM 748 CG LEU A 48 3.918 3.368 -13.418 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.940 4.415 -13.958 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.595 2.001 -14.029 1.00 0.00 C ATOM 0 H LEU A 48 6.379 2.261 -15.487 1.00 0.00 H new ATOM 0 HA LEU A 48 4.648 4.539 -15.666 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.011 2.919 -13.561 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.664 4.580 -13.126 1.00 0.00 H new ATOM 0 HG LEU A 48 3.822 3.315 -12.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.921 4.129 -13.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.167 5.386 -13.518 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.035 4.476 -15.042 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.573 1.720 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.696 2.054 -15.113 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.286 1.255 -13.636 1.00 0.00 H new ATOM 762 N GLY A 49 7.893 4.946 -15.360 1.00 0.00 N ATOM 763 CA GLY A 49 8.981 5.925 -15.397 1.00 0.00 C ATOM 764 C GLY A 49 9.971 5.714 -14.247 1.00 0.00 C ATOM 765 O GLY A 49 10.538 6.676 -13.725 1.00 0.00 O ATOM 0 H GLY A 49 8.197 3.974 -15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.507 5.849 -16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.567 6.932 -15.341 1.00 0.00 H new ATOM 769 N GLN A 50 10.179 4.449 -13.860 1.00 0.00 N ATOM 770 CA GLN A 50 11.113 4.135 -12.771 1.00 0.00 C ATOM 771 C GLN A 50 11.630 2.698 -12.893 1.00 0.00 C ATOM 772 O GLN A 50 10.917 1.803 -13.344 1.00 0.00 O ATOM 773 CB GLN A 50 10.439 4.316 -11.403 1.00 0.00 C ATOM 774 CG GLN A 50 9.158 3.474 -11.325 1.00 0.00 C ATOM 775 CD GLN A 50 8.003 4.341 -10.828 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.482 5.236 -11.624 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 7.561 4.202 -9.688 1.00 0.00 N flip ATOM 0 H GLN A 50 9.722 3.638 -14.277 1.00 0.00 H new ATOM 0 HA GLN A 50 11.953 4.825 -12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.126 4.020 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.201 5.368 -11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.921 3.063 -12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.307 2.629 -10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.967 3.503 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.789 4.785 -9.366 1.00 0.00 H new ATOM 786 N ASN A 51 12.884 2.493 -12.483 1.00 0.00 N ATOM 787 CA ASN A 51 13.493 1.163 -12.549 1.00 0.00 C ATOM 788 C ASN A 51 14.327 0.886 -11.290 1.00 0.00 C ATOM 789 O ASN A 51 15.553 1.000 -11.299 1.00 0.00 O ATOM 790 CB ASN A 51 14.378 1.026 -13.802 1.00 0.00 C ATOM 791 CG ASN A 51 15.305 2.237 -13.940 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.857 3.338 -14.261 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.584 2.095 -13.720 1.00 0.00 N ATOM 0 H ASN A 51 13.491 3.221 -12.106 1.00 0.00 H new ATOM 0 HA ASN A 51 12.688 0.430 -12.608 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.970 0.113 -13.738 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.751 0.938 -14.689 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.210 2.895 -13.814 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.958 1.184 -13.454 1.00 0.00 H new ATOM 800 N PRO A 52 13.657 0.517 -10.190 1.00 0.00 N ATOM 801 CA PRO A 52 14.331 0.218 -8.910 1.00 0.00 C ATOM 802 C PRO A 52 14.890 -1.212 -8.858 1.00 0.00 C ATOM 803 O PRO A 52 15.107 -1.844 -9.894 1.00 0.00 O ATOM 804 CB PRO A 52 13.198 0.409 -7.905 1.00 0.00 C ATOM 805 CG PRO A 52 11.891 0.200 -8.659 1.00 0.00 C ATOM 806 CD PRO A 52 12.186 0.378 -10.152 1.00 0.00 C ATOM 0 HA PRO A 52 15.202 0.848 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.287 -0.303 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.235 1.407 -7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.491 -0.795 -8.463 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.139 0.917 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.847 -0.479 -10.735 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.688 1.258 -10.559 1.00 0.00 H new ATOM 814 N THR A 53 15.115 -1.714 -7.638 1.00 0.00 N ATOM 815 CA THR A 53 15.644 -3.070 -7.453 1.00 0.00 C ATOM 816 C THR A 53 14.485 -4.041 -7.188 1.00 0.00 C ATOM 817 O THR A 53 13.339 -3.611 -7.035 1.00 0.00 O ATOM 818 CB THR A 53 16.639 -3.098 -6.270 1.00 0.00 C ATOM 819 OG1 THR A 53 15.931 -3.257 -5.046 1.00 0.00 O ATOM 820 CG2 THR A 53 17.440 -1.794 -6.223 1.00 0.00 C ATOM 0 H THR A 53 14.941 -1.206 -6.771 1.00 0.00 H new ATOM 0 HA THR A 53 16.170 -3.375 -8.358 1.00 0.00 H new ATOM 0 HB THR A 53 17.322 -3.936 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.567 -3.276 -4.300 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.137 -1.825 -5.386 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.995 -1.674 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.759 -0.953 -6.096 1.00 0.00 H new ATOM 828 N PRO A 54 14.756 -5.356 -7.111 1.00 0.00 N ATOM 829 CA PRO A 54 13.696 -6.349 -6.845 1.00 0.00 C ATOM 830 C PRO A 54 13.220 -6.302 -5.391 1.00 0.00 C ATOM 831 O PRO A 54 12.072 -6.634 -5.092 1.00 0.00 O ATOM 832 CB PRO A 54 14.377 -7.669 -7.184 1.00 0.00 C ATOM 833 CG PRO A 54 15.875 -7.435 -7.067 1.00 0.00 C ATOM 834 CD PRO A 54 16.111 -5.935 -7.270 1.00 0.00 C ATOM 0 HA PRO A 54 12.790 -6.176 -7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.055 -8.456 -6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.114 -7.992 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.240 -7.754 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.416 -8.015 -7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.809 -5.534 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.527 -5.722 -8.255 1.00 0.00 H new ATOM 842 N GLU A 55 14.109 -5.851 -4.498 1.00 0.00 N ATOM 843 CA GLU A 55 13.765 -5.722 -3.084 1.00 0.00 C ATOM 844 C GLU A 55 12.984 -4.425 -2.856 1.00 0.00 C ATOM 845 O GLU A 55 12.075 -4.374 -2.026 1.00 0.00 O ATOM 846 CB GLU A 55 15.027 -5.705 -2.215 1.00 0.00 C ATOM 847 CG GLU A 55 15.535 -7.136 -2.016 1.00 0.00 C ATOM 848 CD GLU A 55 16.252 -7.244 -0.674 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.449 -7.007 -0.641 1.00 0.00 O ATOM 850 OE2 GLU A 55 15.593 -7.563 0.303 1.00 0.00 O ATOM 0 H GLU A 55 15.062 -5.573 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 55 13.154 -6.580 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.798 -5.097 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.809 -5.248 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.701 -7.837 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.213 -7.407 -2.825 1.00 0.00 H new ATOM 857 N GLU A 56 13.348 -3.377 -3.614 1.00 0.00 N ATOM 858 CA GLU A 56 12.677 -2.082 -3.498 1.00 0.00 C ATOM 859 C GLU A 56 11.245 -2.166 -4.029 1.00 0.00 C ATOM 860 O GLU A 56 10.307 -1.706 -3.376 1.00 0.00 O ATOM 861 CB GLU A 56 13.440 -1.008 -4.282 1.00 0.00 C ATOM 862 CG GLU A 56 13.232 0.358 -3.620 1.00 0.00 C ATOM 863 CD GLU A 56 13.044 1.425 -4.694 1.00 0.00 C ATOM 864 OE1 GLU A 56 11.912 1.636 -5.101 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.033 2.015 -5.096 1.00 0.00 O ATOM 0 H GLU A 56 14.097 -3.405 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 56 12.654 -1.812 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.502 -1.251 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.091 -0.980 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.360 0.328 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.090 0.605 -2.995 1.00 0.00 H new ATOM 872 N LEU A 57 11.084 -2.764 -5.218 1.00 0.00 N ATOM 873 CA LEU A 57 9.757 -2.906 -5.819 1.00 0.00 C ATOM 874 C LEU A 57 8.865 -3.797 -4.949 1.00 0.00 C ATOM 875 O LEU A 57 7.664 -3.553 -4.829 1.00 0.00 O ATOM 876 CB LEU A 57 9.854 -3.490 -7.235 1.00 0.00 C ATOM 877 CG LEU A 57 10.192 -4.984 -7.329 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.905 -5.817 -7.253 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.895 -5.260 -8.660 1.00 0.00 C ATOM 0 H LEU A 57 11.847 -3.151 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 57 9.312 -1.913 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.904 -3.321 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.612 -2.932 -7.785 1.00 0.00 H new ATOM 0 HG LEU A 57 10.846 -5.257 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.153 -6.876 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.401 -5.622 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.246 -5.545 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.137 -6.320 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.237 -4.982 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.813 -4.674 -8.715 1.00 0.00 H new ATOM 891 N GLN A 58 9.469 -4.824 -4.334 1.00 0.00 N ATOM 892 CA GLN A 58 8.714 -5.732 -3.467 1.00 0.00 C ATOM 893 C GLN A 58 8.206 -4.985 -2.234 1.00 0.00 C ATOM 894 O GLN A 58 7.079 -5.203 -1.792 1.00 0.00 O ATOM 895 CB GLN A 58 9.579 -6.917 -3.021 1.00 0.00 C ATOM 896 CG GLN A 58 9.226 -8.152 -3.859 1.00 0.00 C ATOM 897 CD GLN A 58 7.866 -8.701 -3.426 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.778 -9.470 -2.469 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.791 -8.350 -4.082 1.00 0.00 N ATOM 0 H GLN A 58 10.462 -5.042 -4.420 1.00 0.00 H new ATOM 0 HA GLN A 58 7.868 -6.112 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.635 -6.674 -3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.415 -7.123 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.203 -7.890 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.993 -8.917 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.863 -7.713 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.880 -8.713 -3.801 1.00 0.00 H new ATOM 908 N GLU A 59 9.043 -4.084 -1.700 1.00 0.00 N ATOM 909 CA GLU A 59 8.654 -3.289 -0.531 1.00 0.00 C ATOM 910 C GLU A 59 7.388 -2.490 -0.843 1.00 0.00 C ATOM 911 O GLU A 59 6.492 -2.377 -0.007 1.00 0.00 O ATOM 912 CB GLU A 59 9.772 -2.319 -0.132 1.00 0.00 C ATOM 913 CG GLU A 59 10.867 -3.073 0.627 1.00 0.00 C ATOM 914 CD GLU A 59 10.437 -3.284 2.076 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.687 -2.403 2.883 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.865 -4.324 2.359 1.00 0.00 O ATOM 0 H GLU A 59 9.980 -3.891 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 59 8.468 -3.974 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.192 -1.848 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.368 -1.521 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.057 -4.035 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.800 -2.510 0.593 1.00 0.00 H new ATOM 923 N MET A 60 7.322 -1.960 -2.073 1.00 0.00 N ATOM 924 CA MET A 60 6.150 -1.193 -2.510 1.00 0.00 C ATOM 925 C MET A 60 4.914 -2.083 -2.485 1.00 0.00 C ATOM 926 O MET A 60 3.838 -1.660 -2.071 1.00 0.00 O ATOM 927 CB MET A 60 6.339 -0.655 -3.935 1.00 0.00 C ATOM 928 CG MET A 60 7.635 0.155 -4.022 1.00 0.00 C ATOM 929 SD MET A 60 7.360 1.815 -3.355 1.00 0.00 S ATOM 930 CE MET A 60 8.962 1.999 -2.535 1.00 0.00 C ATOM 0 H MET A 60 8.058 -2.047 -2.774 1.00 0.00 H new ATOM 0 HA MET A 60 6.027 -0.352 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.370 -1.483 -4.644 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.490 -0.029 -4.212 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.427 -0.345 -3.464 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.967 0.219 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.011 2.973 -2.047 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.081 1.213 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.760 1.922 -3.274 1.00 0.00 H new ATOM 940 N ILE A 61 5.093 -3.331 -2.922 1.00 0.00 N ATOM 941 CA ILE A 61 3.995 -4.302 -2.939 1.00 0.00 C ATOM 942 C ILE A 61 3.535 -4.599 -1.508 1.00 0.00 C ATOM 943 O ILE A 61 2.348 -4.537 -1.201 1.00 0.00 O ATOM 944 CB ILE A 61 4.437 -5.616 -3.608 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.879 -5.348 -5.056 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.280 -6.619 -3.601 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.735 -4.712 -5.856 1.00 0.00 C ATOM 0 H ILE A 61 5.982 -3.693 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 61 3.172 -3.872 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 61 5.276 -6.030 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.746 -4.688 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.186 -6.281 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.600 -7.547 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.981 -6.822 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.435 -6.203 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.064 -4.529 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.879 -5.387 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.448 -3.768 -5.393 1.00 0.00 H new ATOM 959 N ASP A 62 4.496 -4.917 -0.636 1.00 0.00 N ATOM 960 CA ASP A 62 4.186 -5.222 0.766 1.00 0.00 C ATOM 961 C ASP A 62 3.408 -4.081 1.436 1.00 0.00 C ATOM 962 O ASP A 62 2.606 -4.318 2.343 1.00 0.00 O ATOM 963 CB ASP A 62 5.476 -5.471 1.558 1.00 0.00 C ATOM 964 CG ASP A 62 6.029 -6.855 1.223 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.463 -7.829 1.695 1.00 0.00 O ATOM 966 OD2 ASP A 62 7.010 -6.920 0.502 1.00 0.00 O ATOM 0 H ASP A 62 5.487 -4.970 -0.872 1.00 0.00 H new ATOM 0 HA ASP A 62 3.566 -6.119 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.215 -4.706 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.277 -5.398 2.627 1.00 0.00 H new ATOM 971 N GLU A 63 3.651 -2.843 0.989 1.00 0.00 N ATOM 972 CA GLU A 63 2.968 -1.681 1.565 1.00 0.00 C ATOM 973 C GLU A 63 1.645 -1.400 0.842 1.00 0.00 C ATOM 974 O GLU A 63 0.590 -1.314 1.474 1.00 0.00 O ATOM 975 CB GLU A 63 3.861 -0.438 1.480 1.00 0.00 C ATOM 976 CG GLU A 63 5.083 -0.624 2.386 1.00 0.00 C ATOM 977 CD GLU A 63 6.113 0.464 2.087 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.835 0.321 1.114 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.167 1.424 2.840 1.00 0.00 O ATOM 0 H GLU A 63 4.307 -2.622 0.240 1.00 0.00 H new ATOM 0 HA GLU A 63 2.757 -1.910 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.180 -0.276 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.301 0.447 1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.783 -0.577 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.522 -1.609 2.224 1.00 0.00 H new ATOM 986 N VAL A 64 1.716 -1.252 -0.486 1.00 0.00 N ATOM 987 CA VAL A 64 0.524 -0.973 -1.294 1.00 0.00 C ATOM 988 C VAL A 64 -0.462 -2.138 -1.228 1.00 0.00 C ATOM 989 O VAL A 64 -1.599 -1.978 -0.778 1.00 0.00 O ATOM 990 CB VAL A 64 0.920 -0.731 -2.756 1.00 0.00 C ATOM 991 CG1 VAL A 64 -0.330 -0.475 -3.597 1.00 0.00 C ATOM 992 CG2 VAL A 64 1.852 0.480 -2.833 1.00 0.00 C ATOM 0 H VAL A 64 2.582 -1.320 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 64 0.046 -0.080 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 64 1.433 -1.611 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.042 -0.304 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.989 -1.341 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.852 0.403 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.136 0.655 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.339 1.359 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.746 0.289 -2.240 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.006 -3.309 -1.684 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.838 -4.515 -1.679 1.00 0.00 C ATOM 1004 C ASP A 65 -1.359 -4.786 -0.265 1.00 0.00 C ATOM 1005 O ASP A 65 -0.624 -5.262 0.604 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.023 -5.721 -2.166 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.803 -6.488 -3.229 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.580 -7.352 -2.861 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.607 -6.202 -4.398 1.00 0.00 O ATOM 0 H ASP A 65 0.932 -3.447 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.683 -4.360 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.929 -5.384 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.205 -6.378 -1.327 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.636 -4.455 -0.044 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.263 -4.640 1.273 1.00 0.00 C ATOM 1016 C GLU A 66 -3.307 -6.118 1.657 1.00 0.00 C ATOM 1017 O GLU A 66 -2.962 -6.488 2.781 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.696 -4.090 1.285 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.707 -2.652 0.760 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.109 -2.066 0.900 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.413 -1.555 1.966 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.858 -2.136 -0.061 1.00 0.00 O ATOM 0 H GLU A 66 -3.253 -4.060 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.656 -4.093 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.340 -4.716 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.098 -4.120 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.992 -2.046 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.397 -2.633 -0.285 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.739 -6.953 0.713 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.832 -8.397 0.964 1.00 0.00 C ATOM 1031 C ASP A 67 -2.463 -9.070 0.841 1.00 0.00 C ATOM 1032 O ASP A 67 -2.154 -10.001 1.587 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.821 -9.072 -0.002 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.622 -8.553 -1.427 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.261 -7.573 -1.777 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.837 -9.142 -2.146 1.00 0.00 O ATOM 0 H ASP A 67 -4.027 -6.663 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.197 -8.519 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.679 -10.152 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.844 -8.878 0.322 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.650 -8.598 -0.108 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.321 -9.172 -0.318 1.00 0.00 C ATOM 1043 C GLY A 68 -0.433 -10.547 -0.969 1.00 0.00 C ATOM 1044 O GLY A 68 0.188 -11.512 -0.519 1.00 0.00 O ATOM 0 H GLY A 68 -1.886 -7.829 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.272 -8.511 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.201 -9.255 0.635 1.00 0.00 H new ATOM 1048 N SER A 69 -1.240 -10.620 -2.029 1.00 0.00 N ATOM 1049 CA SER A 69 -1.447 -11.880 -2.745 1.00 0.00 C ATOM 1050 C SER A 69 -0.410 -12.084 -3.862 1.00 0.00 C ATOM 1051 O SER A 69 -0.516 -13.031 -4.645 1.00 0.00 O ATOM 1052 CB SER A 69 -2.848 -11.908 -3.366 1.00 0.00 C ATOM 1053 OG SER A 69 -3.007 -10.782 -4.223 1.00 0.00 O ATOM 0 H SER A 69 -1.758 -9.827 -2.409 1.00 0.00 H new ATOM 0 HA SER A 69 -1.336 -12.684 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.990 -12.831 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.606 -11.893 -2.583 1.00 0.00 H new ATOM 0 HG SER A 69 -3.317 -10.014 -3.699 1.00 0.00 H new ATOM 1059 N GLY A 70 0.581 -11.186 -3.945 1.00 0.00 N ATOM 1060 CA GLY A 70 1.605 -11.282 -4.983 1.00 0.00 C ATOM 1061 C GLY A 70 1.047 -10.826 -6.333 1.00 0.00 C ATOM 1062 O GLY A 70 1.575 -11.187 -7.387 1.00 0.00 O ATOM 0 H GLY A 70 0.691 -10.394 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.464 -10.668 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.959 -12.310 -5.058 1.00 0.00 H new ATOM 1066 N THR A 71 -0.031 -10.031 -6.286 1.00 0.00 N ATOM 1067 CA THR A 71 -0.667 -9.529 -7.504 1.00 0.00 C ATOM 1068 C THR A 71 -1.243 -8.134 -7.263 1.00 0.00 C ATOM 1069 O THR A 71 -1.946 -7.903 -6.276 1.00 0.00 O ATOM 1070 CB THR A 71 -1.792 -10.475 -7.954 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.851 -10.452 -7.004 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.251 -11.902 -8.065 1.00 0.00 C ATOM 0 H THR A 71 -0.476 -9.725 -5.421 1.00 0.00 H new ATOM 0 HA THR A 71 0.090 -9.478 -8.287 1.00 0.00 H new ATOM 0 HB THR A 71 -2.165 -10.146 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.495 -10.647 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.051 -12.570 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.442 -11.929 -8.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.874 -12.225 -7.095 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.937 -7.204 -8.170 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.428 -5.831 -8.035 1.00 0.00 C ATOM 1082 C VAL A 72 -2.726 -5.636 -8.813 1.00 0.00 C ATOM 1083 O VAL A 72 -2.752 -5.727 -10.042 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.402 -4.813 -8.549 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.752 -3.422 -8.013 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.003 -5.191 -8.078 1.00 0.00 C ATOM 0 H VAL A 72 -0.360 -7.372 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.602 -5.665 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.425 -4.810 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.024 -2.698 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.747 -3.140 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.735 -3.437 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.721 -4.460 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.030 -5.204 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.261 -6.179 -8.459 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.791 -5.327 -8.079 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.092 -5.070 -8.695 1.00 0.00 C ATOM 1098 C ASP A 73 -5.119 -3.619 -9.163 1.00 0.00 C ATOM 1099 O ASP A 73 -4.219 -2.850 -8.837 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.222 -5.300 -7.683 1.00 0.00 C ATOM 1101 CG ASP A 73 -7.480 -5.797 -8.395 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -8.179 -4.978 -8.970 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.732 -6.988 -8.347 1.00 0.00 O ATOM 0 H ASP A 73 -3.781 -5.248 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.239 -5.749 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.907 -6.028 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.439 -4.373 -7.153 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.142 -3.240 -9.927 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.230 -1.860 -10.411 1.00 0.00 C ATOM 1110 C PHE A 74 -6.279 -0.876 -9.239 1.00 0.00 C ATOM 1111 O PHE A 74 -5.715 0.217 -9.315 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.457 -1.656 -11.298 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.200 -0.509 -12.242 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.026 -0.488 -13.000 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.133 0.527 -12.365 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.785 0.568 -13.883 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -7.889 1.584 -13.247 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.715 1.604 -14.006 1.00 0.00 C ATOM 0 H PHE A 74 -6.905 -3.850 -10.220 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.336 -1.669 -11.005 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.669 -2.565 -11.860 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.334 -1.449 -10.685 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.306 -1.287 -12.903 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.040 0.510 -11.779 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.879 0.584 -14.471 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.607 2.385 -13.342 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.527 2.420 -14.688 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.937 -1.283 -8.148 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.026 -0.432 -6.958 1.00 0.00 C ATOM 1130 C ASP A 75 -5.631 -0.234 -6.361 1.00 0.00 C ATOM 1131 O ASP A 75 -5.257 0.876 -5.978 1.00 0.00 O ATOM 1132 CB ASP A 75 -7.943 -1.066 -5.905 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.394 -0.702 -6.207 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.992 -1.370 -7.035 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.884 0.241 -5.608 1.00 0.00 O ATOM 0 H ASP A 75 -7.409 -2.183 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.443 0.531 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.821 -2.149 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.669 -0.715 -4.910 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.863 -1.328 -6.307 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.497 -1.289 -5.776 1.00 0.00 C ATOM 1142 C GLU A 76 -2.528 -0.684 -6.807 1.00 0.00 C ATOM 1143 O GLU A 76 -1.469 -0.166 -6.450 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.025 -2.704 -5.406 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.053 -3.363 -4.471 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.709 -4.840 -4.252 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.455 -5.529 -5.228 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.718 -5.263 -3.109 1.00 0.00 O ATOM 0 H GLU A 76 -5.164 -2.250 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.503 -0.664 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.901 -3.304 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.052 -2.657 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.070 -2.842 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.052 -3.276 -4.899 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.910 -0.755 -8.091 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.087 -0.217 -9.178 1.00 0.00 C ATOM 1157 C PHE A 77 -2.072 1.310 -9.129 1.00 0.00 C ATOM 1158 O PHE A 77 -1.010 1.936 -9.149 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.669 -0.661 -10.528 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.590 -0.933 -11.557 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.241 -1.120 -11.197 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.964 -1.014 -12.900 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.713 -1.380 -12.187 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.013 -1.277 -13.882 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.324 -1.459 -13.529 1.00 0.00 C ATOM 0 H PHE A 77 -3.784 -1.180 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.070 -0.592 -9.063 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.267 -1.561 -10.385 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.340 0.111 -10.904 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.056 -1.063 -10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.998 -0.872 -13.179 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.749 -1.520 -11.916 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.311 -1.340 -14.918 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.060 -1.661 -14.293 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.272 1.896 -9.066 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.415 3.353 -9.016 1.00 0.00 C ATOM 1177 C LEU A 78 -2.897 3.907 -7.684 1.00 0.00 C ATOM 1178 O LEU A 78 -2.404 5.035 -7.625 1.00 0.00 O ATOM 1179 CB LEU A 78 -4.886 3.750 -9.199 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.372 3.838 -10.656 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.897 2.615 -11.450 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.902 3.890 -10.677 1.00 0.00 C ATOM 0 H LEU A 78 -4.155 1.385 -9.049 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.823 3.777 -9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.508 3.028 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.045 4.717 -8.722 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.962 4.739 -11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.248 2.691 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.808 2.575 -11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.297 1.709 -10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.250 3.952 -11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.303 2.989 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.244 4.766 -10.125 1.00 0.00 H new ATOM 1194 N VAL A 79 -2.999 3.098 -6.619 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.518 3.517 -5.298 1.00 0.00 C ATOM 1196 C VAL A 79 -1.011 3.788 -5.360 1.00 0.00 C ATOM 1197 O VAL A 79 -0.542 4.841 -4.938 1.00 0.00 O ATOM 1198 CB VAL A 79 -2.819 2.431 -4.247 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -1.795 2.486 -3.110 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.221 2.656 -3.673 1.00 0.00 C ATOM 0 H VAL A 79 -3.405 2.163 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.035 4.431 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.763 1.454 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.023 1.712 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.795 2.321 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.836 3.464 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.437 1.889 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.269 3.639 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.956 2.600 -4.476 1.00 0.00 H new ATOM 1210 N MET A 80 -0.267 2.818 -5.902 1.00 0.00 N ATOM 1211 CA MET A 80 1.192 2.941 -6.041 1.00 0.00 C ATOM 1212 C MET A 80 1.592 4.314 -6.604 1.00 0.00 C ATOM 1213 O MET A 80 2.642 4.854 -6.250 1.00 0.00 O ATOM 1214 CB MET A 80 1.724 1.853 -6.980 1.00 0.00 C ATOM 1215 CG MET A 80 2.933 1.161 -6.346 1.00 0.00 C ATOM 1216 SD MET A 80 4.179 0.831 -7.618 1.00 0.00 S ATOM 1217 CE MET A 80 3.161 -0.227 -8.676 1.00 0.00 C ATOM 0 H MET A 80 -0.649 1.939 -6.252 1.00 0.00 H new ATOM 0 HA MET A 80 1.624 2.829 -5.047 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.941 1.122 -7.184 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.006 2.293 -7.937 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.356 1.790 -5.563 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.625 0.228 -5.874 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.538 -0.190 -9.698 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.201 -1.253 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.129 0.124 -8.657 1.00 0.00 H new ATOM 1227 N MET A 81 0.744 4.873 -7.481 1.00 0.00 N ATOM 1228 CA MET A 81 1.022 6.182 -8.080 1.00 0.00 C ATOM 1229 C MET A 81 1.003 7.277 -7.012 1.00 0.00 C ATOM 1230 O MET A 81 1.990 7.987 -6.821 1.00 0.00 O ATOM 1231 CB MET A 81 -0.016 6.510 -9.158 1.00 0.00 C ATOM 1232 CG MET A 81 0.358 7.819 -9.862 1.00 0.00 C ATOM 1233 SD MET A 81 -0.934 8.259 -11.055 1.00 0.00 S ATOM 1234 CE MET A 81 -2.324 8.291 -9.896 1.00 0.00 C ATOM 0 H MET A 81 -0.129 4.443 -7.787 1.00 0.00 H new ATOM 0 HA MET A 81 2.012 6.140 -8.534 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.068 5.699 -9.884 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.005 6.599 -8.708 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.477 8.617 -9.129 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.315 7.709 -10.372 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.988 9.118 -10.147 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.874 7.352 -9.961 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.949 8.422 -8.881 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.133 7.396 -6.314 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.275 8.406 -5.255 1.00 0.00 C ATOM 1246 C VAL A 82 0.701 8.134 -4.105 1.00 0.00 C ATOM 1247 O VAL A 82 1.120 9.055 -3.407 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.706 8.431 -4.701 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.665 8.922 -5.786 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.120 7.025 -4.254 1.00 0.00 C ATOM 0 H VAL A 82 -0.958 6.814 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.048 9.374 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.745 9.105 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.681 8.940 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.379 9.927 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.619 8.250 -6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.137 7.052 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.077 6.345 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.441 6.676 -3.476 1.00 0.00 H new ATOM 1260 N ARG A 83 1.063 6.860 -3.925 1.00 0.00 N ATOM 1261 CA ARG A 83 2.001 6.472 -2.868 1.00 0.00 C ATOM 1262 C ARG A 83 3.356 7.154 -3.079 1.00 0.00 C ATOM 1263 O ARG A 83 4.024 7.542 -2.119 1.00 0.00 O ATOM 1264 CB ARG A 83 2.214 4.953 -2.867 1.00 0.00 C ATOM 1265 CG ARG A 83 0.968 4.248 -2.320 1.00 0.00 C ATOM 1266 CD ARG A 83 1.127 4.000 -0.817 1.00 0.00 C ATOM 1267 NE ARG A 83 2.348 3.238 -0.537 1.00 0.00 N ATOM 1268 CZ ARG A 83 2.961 3.297 0.654 1.00 0.00 C ATOM 1269 NH1 ARG A 83 2.455 4.003 1.638 1.00 0.00 N ATOM 1270 NH2 ARG A 83 4.074 2.635 0.841 1.00 0.00 N ATOM 0 H ARG A 83 0.723 6.085 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 83 1.575 6.783 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.423 4.606 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.082 4.700 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.084 4.858 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.817 3.302 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.160 4.953 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.260 3.456 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 83 2.742 2.647 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.584 4.516 1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.933 4.038 2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.470 2.079 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.546 2.675 1.744 1.00 0.00 H new