USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 411 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 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 GLN : amide:sc= -2.75! K(o=-4.1!,f=0.85) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.37! K(o=-4.1!,f=0.98) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0115) USER MOD Set 3.2: A 50 THR OG1 : rot -30:sc= 0.417 USER MOD Set 3.3: A 52 THR OG1 : rot 57:sc= 0.951 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0959 K(o=-0.096,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00198 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 150:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.32 K(o=1.3,f=-0.041) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 46 TYR OH : rot -161:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -14.255 -0.325 -2.417 1.00 0.00 N ATOM 19 CA GLY A 2 -13.668 0.592 -3.379 1.00 0.00 C ATOM 20 C GLY A 2 -12.301 0.124 -3.860 1.00 0.00 C ATOM 21 O GLY A 2 -11.774 -0.905 -3.420 1.00 0.00 O ATOM 0 HA2 GLY A 2 -14.336 0.696 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.574 1.579 -2.927 1.00 0.00 H new ATOM 25 N THR A 3 -11.758 0.855 -4.833 1.00 0.00 N ATOM 26 CA THR A 3 -10.450 0.591 -5.417 1.00 0.00 C ATOM 27 C THR A 3 -9.454 1.392 -4.583 1.00 0.00 C ATOM 28 O THR A 3 -9.627 2.600 -4.394 1.00 0.00 O ATOM 29 CB THR A 3 -10.403 1.013 -6.893 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.526 0.525 -7.607 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.140 0.491 -7.585 1.00 0.00 C ATOM 0 H THR A 3 -12.227 1.663 -5.243 1.00 0.00 H new ATOM 0 HA THR A 3 -10.217 -0.474 -5.402 1.00 0.00 H new ATOM 0 HB THR A 3 -10.405 2.103 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.469 0.811 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.139 0.808 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.259 0.891 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.122 -0.598 -7.537 1.00 0.00 H new ATOM 39 N TYR A 4 -8.473 0.714 -4.006 1.00 0.00 N ATOM 40 CA TYR A 4 -7.422 1.279 -3.179 1.00 0.00 C ATOM 41 C TYR A 4 -6.113 1.280 -3.979 1.00 0.00 C ATOM 42 O TYR A 4 -5.969 0.487 -4.915 1.00 0.00 O ATOM 43 CB TYR A 4 -7.287 0.406 -1.921 1.00 0.00 C ATOM 44 CG TYR A 4 -8.366 0.617 -0.883 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.248 1.697 0.013 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.471 -0.251 -0.799 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.230 1.918 0.991 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.465 -0.020 0.168 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.349 1.065 1.065 1.00 0.00 C ATOM 50 OH TYR A 4 -11.331 1.325 1.962 1.00 0.00 O ATOM 0 H TYR A 4 -8.386 -0.297 -4.109 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.655 2.303 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.291 -0.642 -2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.318 0.602 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.397 2.359 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.555 -1.090 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.128 2.739 1.685 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.322 -0.675 0.225 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.032 0.644 1.886 1.00 0.00 H new ATOM 60 N LYS A 5 -5.142 2.116 -3.595 1.00 0.00 N ATOM 61 CA LYS A 5 -3.825 2.237 -4.233 1.00 0.00 C ATOM 62 C LYS A 5 -2.733 2.175 -3.178 1.00 0.00 C ATOM 63 O LYS A 5 -2.943 2.634 -2.057 1.00 0.00 O ATOM 64 CB LYS A 5 -3.698 3.558 -5.026 1.00 0.00 C ATOM 65 CG LYS A 5 -2.336 3.699 -5.750 1.00 0.00 C ATOM 66 CD LYS A 5 -2.043 5.051 -6.404 1.00 0.00 C ATOM 67 CE LYS A 5 -3.039 5.439 -7.495 1.00 0.00 C ATOM 68 NZ LYS A 5 -4.138 6.266 -6.963 1.00 0.00 N ATOM 0 H LYS A 5 -5.255 2.750 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.716 1.407 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.501 3.613 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.830 4.399 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.545 3.490 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.278 2.929 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.042 5.823 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.041 5.027 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.521 5.986 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.450 4.538 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.986 6.136 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.347 5.979 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.857 7.267 -6.977 1.00 0.00 H new ATOM 82 N LEU A 6 -1.592 1.597 -3.528 1.00 0.00 N ATOM 83 CA LEU A 6 -0.415 1.489 -2.687 1.00 0.00 C ATOM 84 C LEU A 6 0.723 2.133 -3.460 1.00 0.00 C ATOM 85 O LEU A 6 0.881 1.865 -4.654 1.00 0.00 O ATOM 86 CB LEU A 6 -0.085 0.031 -2.393 1.00 0.00 C ATOM 87 CG LEU A 6 1.283 -0.194 -1.711 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.323 0.441 -0.312 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.565 -1.698 -1.655 1.00 0.00 C ATOM 0 H LEU A 6 -1.459 1.173 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.580 1.980 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.866 -0.383 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.106 -0.528 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 6 2.063 0.295 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.299 0.264 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.150 1.514 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.548 -0.004 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.529 -1.870 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.781 -2.194 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.586 -2.102 -2.667 1.00 0.00 H new ATOM 101 N ILE A 7 1.518 2.929 -2.758 1.00 0.00 N ATOM 102 CA ILE A 7 2.677 3.638 -3.274 1.00 0.00 C ATOM 103 C ILE A 7 3.864 3.155 -2.441 1.00 0.00 C ATOM 104 O ILE A 7 3.987 3.453 -1.254 1.00 0.00 O ATOM 105 CB ILE A 7 2.460 5.166 -3.247 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.191 5.548 -4.046 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.713 5.870 -3.807 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.881 7.045 -4.090 1.00 0.00 C ATOM 0 H ILE A 7 1.363 3.105 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 7 2.862 3.425 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 7 2.308 5.495 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.300 5.185 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.337 5.028 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.562 6.949 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.578 5.614 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.885 5.545 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.025 7.212 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.734 7.416 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.713 7.575 -4.554 1.00 0.00 H new ATOM 120 N LEU A 8 4.683 2.299 -3.039 1.00 0.00 N ATOM 121 CA LEU A 8 5.870 1.731 -2.432 1.00 0.00 C ATOM 122 C LEU A 8 6.974 2.763 -2.621 1.00 0.00 C ATOM 123 O LEU A 8 7.466 2.943 -3.735 1.00 0.00 O ATOM 124 CB LEU A 8 6.247 0.416 -3.125 1.00 0.00 C ATOM 125 CG LEU A 8 5.255 -0.729 -2.968 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.680 -1.914 -3.845 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.134 -1.227 -1.537 1.00 0.00 C ATOM 0 H LEU A 8 4.530 1.973 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 8 5.709 1.506 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.378 0.614 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.213 0.089 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 8 4.287 -0.332 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.965 -2.729 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.706 -1.603 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.671 -2.254 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.412 -2.042 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.105 -1.584 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.799 -0.412 -0.895 1.00 0.00 H new ATOM 139 N ASN A 9 7.336 3.467 -1.552 1.00 0.00 N ATOM 140 CA ASN A 9 8.376 4.495 -1.552 1.00 0.00 C ATOM 141 C ASN A 9 9.595 3.953 -0.821 1.00 0.00 C ATOM 142 O ASN A 9 9.903 4.369 0.294 1.00 0.00 O ATOM 143 CB ASN A 9 7.887 5.799 -0.885 1.00 0.00 C ATOM 144 CG ASN A 9 7.095 6.709 -1.795 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.024 6.525 -3.006 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.514 7.743 -1.230 1.00 0.00 N ATOM 0 H ASN A 9 6.904 3.336 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 9 8.632 4.738 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.271 5.543 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.751 6.346 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.993 8.409 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.584 7.879 -0.222 1.00 0.00 H new ATOM 153 N GLY A 10 10.346 3.057 -1.458 1.00 0.00 N ATOM 154 CA GLY A 10 11.530 2.484 -0.846 1.00 0.00 C ATOM 155 C GLY A 10 12.811 3.203 -1.221 1.00 0.00 C ATOM 156 O GLY A 10 12.930 3.822 -2.281 1.00 0.00 O ATOM 0 H GLY A 10 10.150 2.715 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.415 2.504 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.611 1.437 -1.139 1.00 0.00 H new ATOM 160 N LYS A 11 13.800 3.091 -0.335 1.00 0.00 N ATOM 161 CA LYS A 11 15.113 3.700 -0.525 1.00 0.00 C ATOM 162 C LYS A 11 15.886 3.001 -1.628 1.00 0.00 C ATOM 163 O LYS A 11 16.782 3.612 -2.213 1.00 0.00 O ATOM 164 CB LYS A 11 15.928 3.636 0.782 1.00 0.00 C ATOM 165 CG LYS A 11 15.230 4.294 1.975 1.00 0.00 C ATOM 166 CD LYS A 11 14.996 5.800 1.795 1.00 0.00 C ATOM 167 CE LYS A 11 13.771 6.172 2.619 1.00 0.00 C ATOM 168 NZ LYS A 11 13.463 7.612 2.589 1.00 0.00 N ATOM 0 H LYS A 11 13.711 2.572 0.539 1.00 0.00 H new ATOM 0 HA LYS A 11 14.956 4.741 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.132 2.592 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.891 4.121 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.271 3.803 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.830 4.132 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.867 6.366 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.839 6.041 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.910 5.616 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.929 5.863 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.620 7.799 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.270 8.148 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.282 7.908 1.609 1.00 0.00 H new ATOM 182 N THR A 12 15.528 1.771 -1.958 1.00 0.00 N ATOM 183 CA THR A 12 16.184 0.968 -2.978 1.00 0.00 C ATOM 184 C THR A 12 15.283 0.728 -4.180 1.00 0.00 C ATOM 185 O THR A 12 15.726 0.857 -5.323 1.00 0.00 O ATOM 186 CB THR A 12 16.569 -0.383 -2.361 1.00 0.00 C ATOM 187 OG1 THR A 12 15.482 -0.931 -1.640 1.00 0.00 O ATOM 188 CG2 THR A 12 17.756 -0.275 -1.411 1.00 0.00 C ATOM 0 H THR A 12 14.749 1.289 -1.510 1.00 0.00 H new ATOM 0 HA THR A 12 17.064 1.508 -3.326 1.00 0.00 H new ATOM 0 HB THR A 12 16.844 -1.028 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.746 -1.793 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.986 -1.259 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.622 0.105 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.510 0.407 -0.597 1.00 0.00 H new ATOM 196 N LEU A 13 14.011 0.411 -3.942 1.00 0.00 N ATOM 197 CA LEU A 13 13.055 0.118 -4.995 1.00 0.00 C ATOM 198 C LEU A 13 11.769 0.853 -4.716 1.00 0.00 C ATOM 199 O LEU A 13 11.495 1.121 -3.550 1.00 0.00 O ATOM 200 CB LEU A 13 12.795 -1.401 -4.964 1.00 0.00 C ATOM 201 CG LEU A 13 11.785 -1.900 -6.013 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.347 -1.667 -7.405 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.434 -3.370 -5.798 1.00 0.00 C ATOM 0 H LEU A 13 13.617 0.351 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 13 13.435 0.428 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.741 -1.921 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.434 -1.674 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 13 10.859 -1.335 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.633 -2.020 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.527 -0.602 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.285 -2.212 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.719 -3.688 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.338 -3.975 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.995 -3.498 -4.809 1.00 0.00 H new ATOM 215 N LYS A 14 11.000 1.185 -5.750 1.00 0.00 N ATOM 216 CA LYS A 14 9.709 1.852 -5.659 1.00 0.00 C ATOM 217 C LYS A 14 8.774 1.204 -6.680 1.00 0.00 C ATOM 218 O LYS A 14 9.235 0.630 -7.676 1.00 0.00 O ATOM 219 CB LYS A 14 9.813 3.370 -5.899 1.00 0.00 C ATOM 220 CG LYS A 14 10.643 4.117 -4.836 1.00 0.00 C ATOM 221 CD LYS A 14 11.829 4.911 -5.385 1.00 0.00 C ATOM 222 CE LYS A 14 12.830 4.062 -6.177 1.00 0.00 C ATOM 223 NZ LYS A 14 13.832 4.931 -6.823 1.00 0.00 N ATOM 0 H LYS A 14 11.273 0.987 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 14 9.318 1.734 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.257 3.543 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.809 3.793 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.986 4.800 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.014 3.393 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.454 5.708 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.349 5.389 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.325 3.355 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.305 3.476 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.506 4.346 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.354 5.589 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.343 5.471 -6.096 1.00 0.00 H new ATOM 237 N GLY A 15 7.472 1.322 -6.456 1.00 0.00 N ATOM 238 CA GLY A 15 6.442 0.788 -7.335 1.00 0.00 C ATOM 239 C GLY A 15 5.048 1.232 -6.898 1.00 0.00 C ATOM 240 O GLY A 15 4.859 1.723 -5.787 1.00 0.00 O ATOM 0 H GLY A 15 7.095 1.803 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.627 1.119 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.494 -0.301 -7.338 1.00 0.00 H new ATOM 244 N GLU A 16 4.043 1.052 -7.748 1.00 0.00 N ATOM 245 CA GLU A 16 2.653 1.402 -7.479 1.00 0.00 C ATOM 246 C GLU A 16 1.790 0.212 -7.881 1.00 0.00 C ATOM 247 O GLU A 16 2.114 -0.504 -8.838 1.00 0.00 O ATOM 248 CB GLU A 16 2.201 2.632 -8.284 1.00 0.00 C ATOM 249 CG GLU A 16 2.518 3.983 -7.636 1.00 0.00 C ATOM 250 CD GLU A 16 1.709 5.123 -8.282 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.305 5.017 -9.467 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.415 6.126 -7.599 1.00 0.00 O ATOM 0 H GLU A 16 4.178 0.645 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 16 2.552 1.643 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.672 2.598 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.125 2.567 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.296 3.937 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.583 4.192 -7.731 1.00 0.00 H new ATOM 259 N THR A 17 0.695 0.002 -7.161 1.00 0.00 N ATOM 260 CA THR A 17 -0.260 -1.060 -7.411 1.00 0.00 C ATOM 261 C THR A 17 -1.620 -0.616 -6.875 1.00 0.00 C ATOM 262 O THR A 17 -1.708 0.247 -5.995 1.00 0.00 O ATOM 263 CB THR A 17 0.235 -2.404 -6.821 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.535 -3.475 -7.325 1.00 0.00 O ATOM 265 CG2 THR A 17 0.175 -2.531 -5.292 1.00 0.00 C ATOM 0 H THR A 17 0.443 0.586 -6.364 1.00 0.00 H new ATOM 0 HA THR A 17 -0.364 -1.244 -8.480 1.00 0.00 H new ATOM 0 HB THR A 17 1.283 -2.435 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.210 -4.318 -6.945 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.546 -3.512 -4.994 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.793 -1.756 -4.838 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.856 -2.416 -4.958 1.00 0.00 H new ATOM 273 N THR A 18 -2.687 -1.214 -7.389 1.00 0.00 N ATOM 274 CA THR A 18 -4.055 -0.951 -7.000 1.00 0.00 C ATOM 275 C THR A 18 -4.727 -2.300 -6.735 1.00 0.00 C ATOM 276 O THR A 18 -4.369 -3.310 -7.343 1.00 0.00 O ATOM 277 CB THR A 18 -4.774 -0.098 -8.072 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.391 -0.371 -9.409 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.424 1.372 -7.884 1.00 0.00 C ATOM 0 H THR A 18 -2.613 -1.924 -8.118 1.00 0.00 H new ATOM 0 HA THR A 18 -4.104 -0.358 -6.087 1.00 0.00 H new ATOM 0 HB THR A 18 -5.828 -0.340 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.893 0.209 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.933 1.967 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.741 1.698 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.347 1.505 -7.982 1.00 0.00 H new ATOM 287 N THR A 19 -5.609 -2.362 -5.742 1.00 0.00 N ATOM 288 CA THR A 19 -6.345 -3.565 -5.386 1.00 0.00 C ATOM 289 C THR A 19 -7.726 -3.123 -4.895 1.00 0.00 C ATOM 290 O THR A 19 -7.894 -1.986 -4.449 1.00 0.00 O ATOM 291 CB THR A 19 -5.531 -4.403 -4.370 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.818 -5.783 -4.497 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.772 -3.997 -2.911 1.00 0.00 C ATOM 0 H THR A 19 -5.835 -1.561 -5.153 1.00 0.00 H new ATOM 0 HA THR A 19 -6.495 -4.231 -6.235 1.00 0.00 H new ATOM 0 HB THR A 19 -4.487 -4.204 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.028 -6.306 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.170 -4.625 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.491 -2.953 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.827 -4.124 -2.668 1.00 0.00 H new ATOM 301 N GLU A 20 -8.748 -3.955 -5.047 1.00 0.00 N ATOM 302 CA GLU A 20 -10.086 -3.639 -4.570 1.00 0.00 C ATOM 303 C GLU A 20 -10.181 -4.347 -3.234 1.00 0.00 C ATOM 304 O GLU A 20 -9.904 -5.546 -3.168 1.00 0.00 O ATOM 305 CB GLU A 20 -11.163 -4.157 -5.519 1.00 0.00 C ATOM 306 CG GLU A 20 -11.266 -3.278 -6.763 1.00 0.00 C ATOM 307 CD GLU A 20 -12.170 -3.931 -7.800 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.292 -4.367 -7.451 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.748 -4.001 -8.976 1.00 0.00 O ATOM 0 H GLU A 20 -8.673 -4.864 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.245 -2.563 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.933 -5.181 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.124 -4.181 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.660 -2.298 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.274 -3.117 -7.185 1.00 0.00 H new ATOM 316 N ALA A 21 -10.528 -3.632 -2.168 1.00 0.00 N ATOM 317 CA ALA A 21 -10.648 -4.231 -0.851 1.00 0.00 C ATOM 318 C ALA A 21 -11.997 -3.875 -0.262 1.00 0.00 C ATOM 319 O ALA A 21 -12.482 -2.755 -0.431 1.00 0.00 O ATOM 320 CB ALA A 21 -9.521 -3.750 0.045 1.00 0.00 C ATOM 0 H ALA A 21 -10.731 -2.633 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.574 -5.315 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.620 -4.205 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.563 -4.034 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.569 -2.665 0.140 1.00 0.00 H new ATOM 326 N VAL A 22 -12.545 -4.805 0.512 1.00 0.00 N ATOM 327 CA VAL A 22 -13.843 -4.622 1.133 1.00 0.00 C ATOM 328 C VAL A 22 -13.764 -3.512 2.171 1.00 0.00 C ATOM 329 O VAL A 22 -14.692 -2.712 2.246 1.00 0.00 O ATOM 330 CB VAL A 22 -14.343 -5.959 1.719 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.598 -6.401 2.985 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.842 -5.907 2.020 1.00 0.00 C ATOM 0 H VAL A 22 -12.102 -5.699 0.723 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.576 -4.312 0.388 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.138 -6.698 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.007 -7.348 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.539 -6.524 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.718 -5.645 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.164 -6.864 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.041 -5.116 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.391 -5.705 1.100 1.00 0.00 H new ATOM 342 N ASP A 23 -12.652 -3.405 2.900 1.00 0.00 N ATOM 343 CA ASP A 23 -12.403 -2.420 3.940 1.00 0.00 C ATOM 344 C ASP A 23 -10.909 -2.122 3.949 1.00 0.00 C ATOM 345 O ASP A 23 -10.111 -2.894 3.398 1.00 0.00 O ATOM 346 CB ASP A 23 -12.887 -2.937 5.303 1.00 0.00 C ATOM 347 CG ASP A 23 -14.415 -2.903 5.406 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.006 -1.812 5.233 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.022 -3.976 5.613 1.00 0.00 O ATOM 0 H ASP A 23 -11.863 -4.039 2.770 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.957 -1.503 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.534 -3.957 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.454 -2.330 6.098 1.00 0.00 H new ATOM 354 N ALA A 24 -10.532 -1.023 4.600 1.00 0.00 N ATOM 355 CA ALA A 24 -9.166 -0.549 4.719 1.00 0.00 C ATOM 356 C ALA A 24 -8.275 -1.609 5.353 1.00 0.00 C ATOM 357 O ALA A 24 -7.127 -1.738 4.938 1.00 0.00 O ATOM 358 CB ALA A 24 -9.145 0.750 5.531 1.00 0.00 C ATOM 0 H ALA A 24 -11.201 -0.418 5.076 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.771 -0.348 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.119 1.106 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.748 1.504 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.553 0.565 6.525 1.00 0.00 H new ATOM 364 N ALA A 25 -8.801 -2.416 6.284 1.00 0.00 N ATOM 365 CA ALA A 25 -8.004 -3.447 6.933 1.00 0.00 C ATOM 366 C ALA A 25 -7.489 -4.436 5.892 1.00 0.00 C ATOM 367 O ALA A 25 -6.295 -4.717 5.843 1.00 0.00 O ATOM 368 CB ALA A 25 -8.823 -4.158 8.006 1.00 0.00 C ATOM 0 H ALA A 25 -9.770 -2.370 6.598 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.148 -2.981 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.212 -4.926 8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.146 -3.436 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.697 -4.622 7.549 1.00 0.00 H new ATOM 374 N THR A 26 -8.382 -4.947 5.045 1.00 0.00 N ATOM 375 CA THR A 26 -8.074 -5.878 3.971 1.00 0.00 C ATOM 376 C THR A 26 -7.097 -5.224 2.995 1.00 0.00 C ATOM 377 O THR A 26 -6.142 -5.879 2.587 1.00 0.00 O ATOM 378 CB THR A 26 -9.378 -6.246 3.255 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.300 -6.821 4.163 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.203 -7.168 2.049 1.00 0.00 C ATOM 0 H THR A 26 -9.374 -4.713 5.093 1.00 0.00 H new ATOM 0 HA THR A 26 -7.613 -6.781 4.372 1.00 0.00 H new ATOM 0 HB THR A 26 -9.763 -5.304 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.766 -7.565 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.177 -7.375 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.563 -6.684 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.744 -8.103 2.370 1.00 0.00 H new ATOM 388 N ALA A 27 -7.329 -3.960 2.616 1.00 0.00 N ATOM 389 CA ALA A 27 -6.461 -3.253 1.685 1.00 0.00 C ATOM 390 C ALA A 27 -5.047 -3.206 2.241 1.00 0.00 C ATOM 391 O ALA A 27 -4.105 -3.624 1.576 1.00 0.00 O ATOM 392 CB ALA A 27 -6.978 -1.824 1.461 1.00 0.00 C ATOM 0 H ALA A 27 -8.120 -3.408 2.948 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.458 -3.781 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.321 -1.305 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.987 -1.862 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.993 -1.290 2.411 1.00 0.00 H new ATOM 398 N GLU A 28 -4.922 -2.765 3.488 1.00 0.00 N ATOM 399 CA GLU A 28 -3.667 -2.636 4.193 1.00 0.00 C ATOM 400 C GLU A 28 -2.977 -3.990 4.345 1.00 0.00 C ATOM 401 O GLU A 28 -1.759 -4.053 4.258 1.00 0.00 O ATOM 402 CB GLU A 28 -3.952 -1.964 5.536 1.00 0.00 C ATOM 403 CG GLU A 28 -2.693 -1.539 6.292 1.00 0.00 C ATOM 404 CD GLU A 28 -3.087 -1.180 7.719 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.264 -2.130 8.519 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.287 0.021 8.011 1.00 0.00 O ATOM 0 H GLU A 28 -5.724 -2.479 4.049 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.971 -2.017 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.577 -1.087 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.526 -2.649 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.960 -2.346 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.226 -0.685 5.801 1.00 0.00 H new ATOM 413 N LYS A 29 -3.719 -5.078 4.568 1.00 0.00 N ATOM 414 CA LYS A 29 -3.137 -6.413 4.703 1.00 0.00 C ATOM 415 C LYS A 29 -2.594 -6.869 3.358 1.00 0.00 C ATOM 416 O LYS A 29 -1.430 -7.269 3.280 1.00 0.00 O ATOM 417 CB LYS A 29 -4.187 -7.403 5.217 1.00 0.00 C ATOM 418 CG LYS A 29 -4.371 -7.236 6.727 1.00 0.00 C ATOM 419 CD LYS A 29 -5.425 -8.169 7.320 1.00 0.00 C ATOM 420 CE LYS A 29 -6.830 -7.860 6.812 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.797 -8.843 7.326 1.00 0.00 N ATOM 0 H LYS A 29 -4.735 -5.057 4.659 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.320 -6.375 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.136 -7.237 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.878 -8.423 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.417 -7.416 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.650 -6.204 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.172 -9.200 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.409 -8.087 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.123 -6.857 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.838 -7.870 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.747 -8.615 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.527 -9.795 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.802 -8.814 8.366 1.00 0.00 H new ATOM 435 N VAL A 30 -3.405 -6.772 2.300 1.00 0.00 N ATOM 436 CA VAL A 30 -2.993 -7.171 0.959 1.00 0.00 C ATOM 437 C VAL A 30 -1.746 -6.380 0.583 1.00 0.00 C ATOM 438 O VAL A 30 -0.745 -6.955 0.150 1.00 0.00 O ATOM 439 CB VAL A 30 -4.163 -6.959 -0.022 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.758 -6.969 -1.503 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.184 -8.075 0.204 1.00 0.00 C ATOM 0 H VAL A 30 -4.360 -6.416 2.353 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.739 -8.230 0.918 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.566 -5.967 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.641 -6.813 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.039 -6.171 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.306 -7.930 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.022 -7.945 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.713 -9.041 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.545 -8.035 1.232 1.00 0.00 H new ATOM 451 N PHE A 31 -1.796 -5.063 0.774 1.00 0.00 N ATOM 452 CA PHE A 31 -0.703 -4.168 0.478 1.00 0.00 C ATOM 453 C PHE A 31 0.506 -4.479 1.344 1.00 0.00 C ATOM 454 O PHE A 31 1.604 -4.502 0.800 1.00 0.00 O ATOM 455 CB PHE A 31 -1.185 -2.725 0.602 1.00 0.00 C ATOM 456 CG PHE A 31 -2.130 -2.246 -0.494 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.135 -2.813 -1.792 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.935 -1.122 -0.238 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.910 -2.246 -2.816 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.703 -0.553 -1.268 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.689 -1.110 -2.556 1.00 0.00 C ATOM 0 H PHE A 31 -2.618 -4.589 1.147 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.370 -4.313 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.686 -2.610 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.314 -2.070 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.537 -3.689 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.963 -0.695 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.906 -2.685 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.308 0.319 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.277 -0.665 -3.345 1.00 0.00 H new ATOM 471 N LYS A 32 0.357 -4.769 2.640 1.00 0.00 N ATOM 472 CA LYS A 32 1.485 -5.112 3.510 1.00 0.00 C ATOM 473 C LYS A 32 2.209 -6.299 2.929 1.00 0.00 C ATOM 474 O LYS A 32 3.430 -6.271 2.819 1.00 0.00 O ATOM 475 CB LYS A 32 1.039 -5.416 4.949 1.00 0.00 C ATOM 476 CG LYS A 32 1.221 -4.189 5.856 1.00 0.00 C ATOM 477 CD LYS A 32 2.032 -4.560 7.098 1.00 0.00 C ATOM 478 CE LYS A 32 2.465 -3.280 7.808 1.00 0.00 C ATOM 479 NZ LYS A 32 3.282 -3.550 9.001 1.00 0.00 N ATOM 0 H LYS A 32 -0.546 -4.773 3.114 1.00 0.00 H new ATOM 0 HA LYS A 32 2.150 -4.250 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.007 -5.722 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.617 -6.252 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.727 -3.395 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.247 -3.800 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.434 -5.178 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.905 -5.148 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.032 -2.658 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.581 -2.711 8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.551 -2.650 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.734 -4.121 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.139 -4.069 8.724 1.00 0.00 H new ATOM 493 N GLN A 33 1.468 -7.343 2.568 1.00 0.00 N ATOM 494 CA GLN A 33 2.073 -8.519 1.995 1.00 0.00 C ATOM 495 C GLN A 33 2.739 -8.149 0.676 1.00 0.00 C ATOM 496 O GLN A 33 3.850 -8.607 0.432 1.00 0.00 O ATOM 497 CB GLN A 33 1.025 -9.618 1.796 1.00 0.00 C ATOM 498 CG GLN A 33 1.681 -10.978 1.521 1.00 0.00 C ATOM 499 CD GLN A 33 2.030 -11.689 2.824 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.212 -12.430 3.361 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.184 -11.436 3.415 1.00 0.00 N ATOM 0 H GLN A 33 0.454 -7.389 2.665 1.00 0.00 H new ATOM 0 HA GLN A 33 2.831 -8.907 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.397 -9.689 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.372 -9.353 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.006 -11.599 0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.584 -10.837 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.862 -10.820 2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.397 -11.857 4.319 1.00 0.00 H new ATOM 510 N TYR A 34 2.103 -7.313 -0.146 1.00 0.00 N ATOM 511 CA TYR A 34 2.673 -6.933 -1.436 1.00 0.00 C ATOM 512 C TYR A 34 4.000 -6.198 -1.244 1.00 0.00 C ATOM 513 O TYR A 34 4.997 -6.479 -1.902 1.00 0.00 O ATOM 514 CB TYR A 34 1.665 -6.097 -2.238 1.00 0.00 C ATOM 515 CG TYR A 34 2.085 -5.879 -3.678 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.852 -6.885 -4.633 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.754 -4.702 -4.058 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.317 -6.739 -5.951 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.189 -4.532 -5.383 1.00 0.00 C ATOM 520 CZ TYR A 34 2.987 -5.557 -6.332 1.00 0.00 C ATOM 521 OH TYR A 34 3.460 -5.416 -7.597 1.00 0.00 O ATOM 0 H TYR A 34 1.198 -6.889 0.058 1.00 0.00 H new ATOM 0 HA TYR A 34 2.884 -7.835 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.695 -6.593 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.537 -5.129 -1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.312 -7.777 -4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.934 -3.926 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.162 -7.529 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.679 -3.615 -5.676 1.00 0.00 H new ATOM 0 HH TYR A 34 3.893 -4.542 -7.689 1.00 0.00 H new ATOM 531 N ALA A 35 4.038 -5.246 -0.320 1.00 0.00 N ATOM 532 CA ALA A 35 5.223 -4.459 -0.030 1.00 0.00 C ATOM 533 C ALA A 35 6.327 -5.372 0.477 1.00 0.00 C ATOM 534 O ALA A 35 7.425 -5.351 -0.072 1.00 0.00 O ATOM 535 CB ALA A 35 4.874 -3.376 0.974 1.00 0.00 C ATOM 0 H ALA A 35 3.233 -4.998 0.255 1.00 0.00 H new ATOM 0 HA ALA A 35 5.587 -3.971 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.762 -2.784 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.101 -2.730 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.508 -3.835 1.892 1.00 0.00 H new ATOM 541 N ASN A 36 6.023 -6.221 1.460 1.00 0.00 N ATOM 542 CA ASN A 36 6.994 -7.163 2.011 1.00 0.00 C ATOM 543 C ASN A 36 7.497 -8.106 0.911 1.00 0.00 C ATOM 544 O ASN A 36 8.653 -8.518 0.957 1.00 0.00 O ATOM 545 CB ASN A 36 6.413 -7.914 3.226 1.00 0.00 C ATOM 546 CG ASN A 36 6.389 -9.432 3.097 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.090 -10.140 3.807 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.521 -9.963 2.253 1.00 0.00 N ATOM 0 H ASN A 36 5.101 -6.274 1.894 1.00 0.00 H new ATOM 0 HA ASN A 36 7.857 -6.610 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.994 -7.649 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.395 -7.563 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.429 -10.977 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.944 -9.359 1.668 1.00 0.00 H new ATOM 555 N ASP A 37 6.662 -8.433 -0.084 1.00 0.00 N ATOM 556 CA ASP A 37 7.047 -9.314 -1.192 1.00 0.00 C ATOM 557 C ASP A 37 8.147 -8.633 -2.004 1.00 0.00 C ATOM 558 O ASP A 37 9.081 -9.297 -2.444 1.00 0.00 O ATOM 559 CB ASP A 37 5.856 -9.686 -2.085 1.00 0.00 C ATOM 560 CG ASP A 37 6.192 -10.754 -3.138 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.064 -11.616 -2.908 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.527 -10.773 -4.204 1.00 0.00 O ATOM 0 H ASP A 37 5.702 -8.094 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 37 7.418 -10.250 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.041 -10.048 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.496 -8.789 -2.590 1.00 0.00 H new ATOM 567 N ASN A 38 8.038 -7.310 -2.179 1.00 0.00 N ATOM 568 CA ASN A 38 8.995 -6.456 -2.885 1.00 0.00 C ATOM 569 C ASN A 38 10.153 -6.072 -1.948 1.00 0.00 C ATOM 570 O ASN A 38 11.077 -5.378 -2.373 1.00 0.00 O ATOM 571 CB ASN A 38 8.333 -5.139 -3.344 1.00 0.00 C ATOM 572 CG ASN A 38 7.369 -5.259 -4.506 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.702 -4.925 -5.639 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.141 -5.662 -4.250 1.00 0.00 N ATOM 0 H ASN A 38 7.243 -6.784 -1.815 1.00 0.00 H new ATOM 0 HA ASN A 38 9.353 -7.020 -3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.800 -4.707 -2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.119 -4.435 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.450 -5.700 -4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.881 -5.936 -3.302 1.00 0.00 H new ATOM 581 N GLY A 39 10.103 -6.455 -0.669 1.00 0.00 N ATOM 582 CA GLY A 39 11.107 -6.151 0.335 1.00 0.00 C ATOM 583 C GLY A 39 11.032 -4.690 0.744 1.00 0.00 C ATOM 584 O GLY A 39 12.072 -4.042 0.874 1.00 0.00 O ATOM 0 H GLY A 39 9.329 -7.006 -0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.959 -6.786 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.099 -6.374 -0.057 1.00 0.00 H new ATOM 588 N VAL A 40 9.820 -4.171 0.949 1.00 0.00 N ATOM 589 CA VAL A 40 9.556 -2.801 1.348 1.00 0.00 C ATOM 590 C VAL A 40 8.725 -2.833 2.616 1.00 0.00 C ATOM 591 O VAL A 40 7.622 -3.384 2.616 1.00 0.00 O ATOM 592 CB VAL A 40 8.729 -2.071 0.279 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.500 -0.595 0.647 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.338 -2.179 -1.121 1.00 0.00 C ATOM 0 H VAL A 40 8.968 -4.720 0.835 1.00 0.00 H new ATOM 0 HA VAL A 40 10.506 -2.286 1.489 1.00 0.00 H new ATOM 0 HB VAL A 40 7.764 -2.578 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.911 -0.113 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.965 -0.535 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.461 -0.090 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.710 -1.644 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.337 -1.742 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.402 -3.228 -1.410 1.00 0.00 H new ATOM 604 N ASP A 41 9.232 -2.245 3.688 1.00 0.00 N ATOM 605 CA ASP A 41 8.494 -2.181 4.930 1.00 0.00 C ATOM 606 C ASP A 41 9.048 -1.063 5.789 1.00 0.00 C ATOM 607 O ASP A 41 10.087 -1.227 6.433 1.00 0.00 O ATOM 608 CB ASP A 41 8.534 -3.498 5.666 1.00 0.00 C ATOM 609 CG ASP A 41 7.724 -3.361 6.957 1.00 0.00 C ATOM 610 OD1 ASP A 41 6.611 -2.775 6.918 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.242 -3.794 8.010 1.00 0.00 O ATOM 0 H ASP A 41 10.152 -1.806 3.719 1.00 0.00 H new ATOM 0 HA ASP A 41 7.448 -1.974 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.122 -4.292 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.564 -3.773 5.893 1.00 0.00 H new ATOM 616 N GLY A 42 8.377 0.082 5.728 1.00 0.00 N ATOM 617 CA GLY A 42 8.745 1.269 6.480 1.00 0.00 C ATOM 618 C GLY A 42 7.537 1.919 7.134 1.00 0.00 C ATOM 619 O GLY A 42 6.682 1.240 7.688 1.00 0.00 O ATOM 0 H GLY A 42 7.550 0.210 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.474 1.003 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.228 1.985 5.815 1.00 0.00 H new ATOM 623 N GLU A 43 7.472 3.248 7.104 1.00 0.00 N ATOM 624 CA GLU A 43 6.382 4.015 7.684 1.00 0.00 C ATOM 625 C GLU A 43 5.213 4.076 6.705 1.00 0.00 C ATOM 626 O GLU A 43 5.317 4.707 5.649 1.00 0.00 O ATOM 627 CB GLU A 43 6.879 5.413 8.067 1.00 0.00 C ATOM 628 CG GLU A 43 5.785 6.252 8.746 1.00 0.00 C ATOM 629 CD GLU A 43 6.366 7.349 9.644 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.926 8.352 9.133 1.00 0.00 O ATOM 631 OE2 GLU A 43 6.282 7.197 10.887 1.00 0.00 O ATOM 0 H GLU A 43 8.189 3.828 6.668 1.00 0.00 H new ATOM 0 HA GLU A 43 6.028 3.527 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.733 5.322 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.229 5.930 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.153 6.707 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.146 5.599 9.341 1.00 0.00 H new ATOM 638 N TRP A 44 4.125 3.396 7.064 1.00 0.00 N ATOM 639 CA TRP A 44 2.891 3.313 6.302 1.00 0.00 C ATOM 640 C TRP A 44 1.951 4.473 6.656 1.00 0.00 C ATOM 641 O TRP A 44 1.685 4.715 7.835 1.00 0.00 O ATOM 642 CB TRP A 44 2.197 1.982 6.605 1.00 0.00 C ATOM 643 CG TRP A 44 2.900 0.740 6.132 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.981 0.167 6.707 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.602 -0.093 4.974 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.404 -0.918 5.965 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.582 -1.124 4.884 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.613 -0.067 3.972 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.589 -2.063 3.849 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.606 -1.007 2.931 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.589 -1.999 2.865 1.00 0.00 C ATOM 0 H TRP A 44 4.083 2.866 7.934 1.00 0.00 H new ATOM 0 HA TRP A 44 3.132 3.375 5.241 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.058 1.907 7.683 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.204 2.004 6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.448 0.510 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.218 -1.490 6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.845 0.691 4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.352 -2.826 3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.836 -0.964 2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.579 -2.716 2.057 1.00 0.00 H new ATOM 662 N THR A 45 1.363 5.109 5.644 1.00 0.00 N ATOM 663 CA THR A 45 0.435 6.235 5.736 1.00 0.00 C ATOM 664 C THR A 45 -0.865 5.941 4.958 1.00 0.00 C ATOM 665 O THR A 45 -0.927 4.933 4.250 1.00 0.00 O ATOM 666 CB THR A 45 1.144 7.498 5.211 1.00 0.00 C ATOM 667 OG1 THR A 45 1.292 7.427 3.810 1.00 0.00 O ATOM 668 CG2 THR A 45 2.551 7.708 5.782 1.00 0.00 C ATOM 0 H THR A 45 1.533 4.834 4.677 1.00 0.00 H new ATOM 0 HA THR A 45 0.146 6.396 6.775 1.00 0.00 H new ATOM 0 HB THR A 45 0.509 8.326 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.742 8.235 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.982 8.617 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.494 7.800 6.867 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.180 6.856 5.523 1.00 0.00 H new ATOM 676 N TYR A 46 -1.900 6.783 5.049 1.00 0.00 N ATOM 677 CA TYR A 46 -3.171 6.615 4.348 1.00 0.00 C ATOM 678 C TYR A 46 -3.704 7.992 3.950 1.00 0.00 C ATOM 679 O TYR A 46 -3.593 8.950 4.716 1.00 0.00 O ATOM 680 CB TYR A 46 -4.180 5.854 5.229 1.00 0.00 C ATOM 681 CG TYR A 46 -5.556 5.649 4.603 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.693 4.835 3.464 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.699 6.269 5.148 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.946 4.661 2.851 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.963 6.083 4.552 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.090 5.294 3.383 1.00 0.00 C ATOM 687 OH TYR A 46 -9.292 5.146 2.753 1.00 0.00 O ATOM 0 H TYR A 46 -1.873 7.622 5.629 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.019 6.021 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.761 4.879 5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.301 6.396 6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.825 4.338 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.606 6.890 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.034 4.041 1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.837 6.544 4.988 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.903 5.854 3.044 1.00 0.00 H new ATOM 697 N ASP A 47 -4.338 8.074 2.783 1.00 0.00 N ATOM 698 CA ASP A 47 -4.927 9.270 2.201 1.00 0.00 C ATOM 699 C ASP A 47 -6.304 8.865 1.695 1.00 0.00 C ATOM 700 O ASP A 47 -6.454 8.427 0.550 1.00 0.00 O ATOM 701 CB ASP A 47 -4.092 9.834 1.037 1.00 0.00 C ATOM 702 CG ASP A 47 -2.880 10.657 1.467 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.913 10.113 2.038 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.868 11.878 1.179 1.00 0.00 O ATOM 0 H ASP A 47 -4.460 7.257 2.185 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.973 10.058 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.751 9.005 0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.735 10.456 0.413 1.00 0.00 H new ATOM 709 N ASP A 48 -7.326 8.988 2.543 1.00 0.00 N ATOM 710 CA ASP A 48 -8.711 8.638 2.212 1.00 0.00 C ATOM 711 C ASP A 48 -9.209 9.379 0.987 1.00 0.00 C ATOM 712 O ASP A 48 -9.922 8.823 0.151 1.00 0.00 O ATOM 713 CB ASP A 48 -9.662 8.996 3.351 1.00 0.00 C ATOM 714 CG ASP A 48 -11.022 8.348 3.085 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.079 7.097 3.059 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.029 9.075 2.901 1.00 0.00 O ATOM 0 H ASP A 48 -7.215 9.339 3.494 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.703 7.563 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.259 8.648 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.769 10.078 3.427 1.00 0.00 H new ATOM 721 N ALA A 49 -8.762 10.625 0.850 1.00 0.00 N ATOM 722 CA ALA A 49 -9.088 11.546 -0.236 1.00 0.00 C ATOM 723 C ALA A 49 -8.889 10.927 -1.626 1.00 0.00 C ATOM 724 O ALA A 49 -9.519 11.342 -2.603 1.00 0.00 O ATOM 725 CB ALA A 49 -8.181 12.760 -0.091 1.00 0.00 C ATOM 0 H ALA A 49 -8.128 11.042 1.531 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.143 11.809 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.396 13.472 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.357 13.232 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.139 12.446 -0.157 1.00 0.00 H new ATOM 731 N THR A 50 -7.981 9.963 -1.725 1.00 0.00 N ATOM 732 CA THR A 50 -7.656 9.224 -2.936 1.00 0.00 C ATOM 733 C THR A 50 -7.543 7.715 -2.613 1.00 0.00 C ATOM 734 O THR A 50 -6.991 6.949 -3.404 1.00 0.00 O ATOM 735 CB THR A 50 -6.418 9.886 -3.580 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.025 9.254 -4.781 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.225 9.950 -2.617 1.00 0.00 C ATOM 0 H THR A 50 -7.426 9.662 -0.924 1.00 0.00 H new ATOM 0 HA THR A 50 -8.442 9.271 -3.689 1.00 0.00 H new ATOM 0 HB THR A 50 -6.728 10.904 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.255 8.302 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.380 10.424 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.499 10.531 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.948 8.940 -2.313 1.00 0.00 H new ATOM 745 N LYS A 51 -8.058 7.262 -1.459 1.00 0.00 N ATOM 746 CA LYS A 51 -8.034 5.885 -0.944 1.00 0.00 C ATOM 747 C LYS A 51 -6.689 5.224 -1.259 1.00 0.00 C ATOM 748 O LYS A 51 -6.627 4.144 -1.849 1.00 0.00 O ATOM 749 CB LYS A 51 -9.267 5.090 -1.423 1.00 0.00 C ATOM 750 CG LYS A 51 -10.576 5.800 -1.038 1.00 0.00 C ATOM 751 CD LYS A 51 -11.837 4.941 -1.195 1.00 0.00 C ATOM 752 CE LYS A 51 -11.979 3.958 -0.020 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.344 3.431 0.135 1.00 0.00 N ATOM 0 H LYS A 51 -8.536 7.894 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.113 5.898 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.224 4.965 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.251 4.092 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.504 6.130 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.683 6.695 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.716 5.584 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.792 4.389 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.290 3.126 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.683 4.459 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.374 2.776 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.003 4.218 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.622 2.926 -0.731 1.00 0.00 H new ATOM 767 N THR A 52 -5.603 5.915 -0.924 1.00 0.00 N ATOM 768 CA THR A 52 -4.246 5.463 -1.180 1.00 0.00 C ATOM 769 C THR A 52 -3.498 5.252 0.125 1.00 0.00 C ATOM 770 O THR A 52 -3.847 5.836 1.146 1.00 0.00 O ATOM 771 CB THR A 52 -3.567 6.522 -2.062 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.299 6.672 -3.263 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.128 6.221 -2.475 1.00 0.00 C ATOM 0 H THR A 52 -5.646 6.821 -0.458 1.00 0.00 H new ATOM 0 HA THR A 52 -4.247 4.502 -1.695 1.00 0.00 H new ATOM 0 HB THR A 52 -3.547 7.415 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.226 6.911 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.750 7.034 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.507 6.123 -1.585 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.099 5.290 -3.041 1.00 0.00 H new ATOM 781 N PHE A 53 -2.457 4.434 0.062 1.00 0.00 N ATOM 782 CA PHE A 53 -1.553 4.076 1.129 1.00 0.00 C ATOM 783 C PHE A 53 -0.150 4.297 0.585 1.00 0.00 C ATOM 784 O PHE A 53 0.076 4.025 -0.596 1.00 0.00 O ATOM 785 CB PHE A 53 -1.735 2.590 1.448 1.00 0.00 C ATOM 786 CG PHE A 53 -2.991 2.248 2.210 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.993 2.237 3.616 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.137 1.870 1.498 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.133 1.797 4.311 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.277 1.424 2.191 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.270 1.377 3.598 1.00 0.00 C ATOM 0 H PHE A 53 -2.209 3.969 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.733 4.662 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.733 2.031 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.875 2.250 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.120 2.566 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.145 1.921 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.136 1.782 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.157 1.118 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.139 1.018 4.130 1.00 0.00 H new ATOM 801 N THR A 54 0.785 4.769 1.404 1.00 0.00 N ATOM 802 CA THR A 54 2.155 4.981 0.971 1.00 0.00 C ATOM 803 C THR A 54 3.045 4.396 2.061 1.00 0.00 C ATOM 804 O THR A 54 2.757 4.596 3.239 1.00 0.00 O ATOM 805 CB THR A 54 2.431 6.472 0.707 1.00 0.00 C ATOM 806 OG1 THR A 54 1.519 7.035 -0.220 1.00 0.00 O ATOM 807 CG2 THR A 54 3.830 6.676 0.132 1.00 0.00 C ATOM 0 H THR A 54 0.613 5.013 2.379 1.00 0.00 H new ATOM 0 HA THR A 54 2.358 4.486 0.021 1.00 0.00 H new ATOM 0 HB THR A 54 2.326 6.964 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.732 7.982 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.999 7.738 -0.045 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.572 6.303 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.920 6.132 -0.809 1.00 0.00 H new ATOM 815 N VAL A 55 4.083 3.644 1.706 1.00 0.00 N ATOM 816 CA VAL A 55 5.018 3.047 2.656 1.00 0.00 C ATOM 817 C VAL A 55 6.395 3.619 2.348 1.00 0.00 C ATOM 818 O VAL A 55 6.942 3.362 1.276 1.00 0.00 O ATOM 819 CB VAL A 55 4.939 1.509 2.661 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.055 0.857 1.283 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.999 0.906 3.596 1.00 0.00 C ATOM 0 H VAL A 55 4.302 3.428 0.733 1.00 0.00 H new ATOM 0 HA VAL A 55 4.761 3.306 3.683 1.00 0.00 H new ATOM 0 HB VAL A 55 3.935 1.288 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.989 -0.226 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.246 1.211 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.013 1.121 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.921 -0.181 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.992 1.204 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.836 1.267 4.611 1.00 0.00 H new ATOM 831 N THR A 56 6.921 4.444 3.249 1.00 0.00 N ATOM 832 CA THR A 56 8.228 5.063 3.095 1.00 0.00 C ATOM 833 C THR A 56 9.218 4.149 3.821 1.00 0.00 C ATOM 834 O THR A 56 9.256 4.162 5.056 1.00 0.00 O ATOM 835 CB THR A 56 8.258 6.490 3.663 1.00 0.00 C ATOM 836 OG1 THR A 56 6.961 7.060 3.766 1.00 0.00 O ATOM 837 CG2 THR A 56 9.116 7.370 2.747 1.00 0.00 C ATOM 0 H THR A 56 6.445 4.702 4.114 1.00 0.00 H new ATOM 0 HA THR A 56 8.486 5.167 2.041 1.00 0.00 H new ATOM 0 HB THR A 56 8.677 6.438 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.030 7.966 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.144 8.386 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.129 6.970 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.686 7.381 1.746 1.00 0.00 H new ATOM 845 N GLU A 57 9.917 3.279 3.090 1.00 0.00 N ATOM 846 CA GLU A 57 10.889 2.333 3.625 1.00 0.00 C ATOM 847 C GLU A 57 11.943 3.078 4.433 1.00 0.00 C ATOM 848 O GLU A 57 12.406 2.562 5.471 1.00 0.00 O ATOM 849 CB GLU A 57 11.536 1.572 2.470 1.00 0.00 C ATOM 850 CG GLU A 57 12.321 0.346 2.903 1.00 0.00 C ATOM 851 CD GLU A 57 13.798 0.523 2.528 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.092 0.722 1.323 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.653 0.510 3.439 1.00 0.00 O ATOM 0 H GLU A 57 9.817 3.214 2.077 1.00 0.00 H new ATOM 0 HA GLU A 57 10.390 1.622 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.759 1.265 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.202 2.246 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.223 0.200 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.917 -0.545 2.423 1.00 0.00 H new