USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 589 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 21 SER OG : rot 111:sc= 0.299 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-4.2) USER MOD Set 1.3: A 55 SER OG : rot -44:sc= -0.287! USER MOD Set 2.1: A 5 CYS SG : rot -134:sc= -1.39 USER MOD Set 2.2: A 10 CYS SG : rot 50:sc= -0.248 USER MOD Set 2.3: A 54 CYS SG : rot -63:sc= -1.84 USER MOD Set 2.4: A 57 HIS : no HE2:sc= -4.09 K(o=-7.6,f=-13!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00744 USER MOD Single : A 6 SER OG : rot 150:sc= -2.3! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.153 (180deg=-0.8) USER MOD Single : A 12 ASN :FLIP amide:sc= -10.7! C(o=-12!,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -1.55 (180deg=-3.28!) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.182 (180deg=-0.777) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 31 SER OG : rot 180:sc= -0.335 USER MOD Single : A 33 CYS SG : rot 133:sc=-0.000222 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 0.349 (180deg=-0.195) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.327 (180deg=-1.11) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0238 (180deg=-0.192) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -51:sc= -0.907 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.891 USER MOD Single : A 62 CYS SG : rot -31:sc= -1.08 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.232 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.451 9.821 10.124 1.00 0.00 N ATOM 21 CA VAL A 2 -9.606 8.587 10.889 1.00 0.00 C ATOM 22 C VAL A 2 -8.443 7.628 10.634 1.00 0.00 C ATOM 23 O VAL A 2 -8.540 6.432 10.911 1.00 0.00 O ATOM 24 CB VAL A 2 -10.944 7.885 10.566 1.00 0.00 C ATOM 25 CG1 VAL A 2 -11.172 6.708 11.504 1.00 0.00 C ATOM 26 CG2 VAL A 2 -12.096 8.873 10.657 1.00 0.00 C ATOM 0 HA VAL A 2 -9.607 8.864 11.943 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.896 7.504 9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.119 6.227 11.260 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.360 5.990 11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.200 7.064 12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.032 8.363 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.145 9.283 11.666 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.939 9.682 9.944 1.00 0.00 H new ATOM 36 N GLN A 3 -7.340 8.161 10.103 1.00 0.00 N ATOM 37 CA GLN A 3 -6.158 7.367 9.806 1.00 0.00 C ATOM 38 C GLN A 3 -5.145 8.226 9.066 1.00 0.00 C ATOM 39 O GLN A 3 -5.512 9.070 8.252 1.00 0.00 O ATOM 40 CB GLN A 3 -6.527 6.144 8.953 1.00 0.00 C ATOM 41 CG GLN A 3 -5.333 5.401 8.361 1.00 0.00 C ATOM 42 CD GLN A 3 -4.689 4.451 9.351 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.659 4.764 9.949 1.00 0.00 O ATOM 44 NE2 GLN A 3 -5.293 3.282 9.529 1.00 0.00 N ATOM 0 H GLN A 3 -7.247 9.150 9.870 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.726 7.015 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.103 5.450 9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.177 6.467 8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.657 4.841 7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.591 6.124 8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.145 3.064 9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.905 2.602 10.183 1.00 0.00 H new ATOM 53 N SER A 4 -3.875 8.010 9.352 1.00 0.00 N ATOM 54 CA SER A 4 -2.818 8.775 8.702 1.00 0.00 C ATOM 55 C SER A 4 -2.142 7.973 7.599 1.00 0.00 C ATOM 56 O SER A 4 -2.351 6.768 7.457 1.00 0.00 O ATOM 57 CB SER A 4 -1.765 9.238 9.706 1.00 0.00 C ATOM 58 OG SER A 4 -2.057 8.764 11.010 1.00 0.00 O ATOM 0 H SER A 4 -3.548 7.317 10.025 1.00 0.00 H new ATOM 0 HA SER A 4 -3.295 9.649 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.783 8.880 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.720 10.327 9.714 1.00 0.00 H new ATOM 0 HG SER A 4 -1.366 9.073 11.633 1.00 0.00 H new ATOM 64 N CYS A 5 -1.333 8.674 6.822 1.00 0.00 N ATOM 65 CA CYS A 5 -0.603 8.085 5.711 1.00 0.00 C ATOM 66 C CYS A 5 0.785 8.735 5.611 1.00 0.00 C ATOM 67 O CYS A 5 1.065 9.701 6.321 1.00 0.00 O ATOM 68 CB CYS A 5 -1.452 8.258 4.444 1.00 0.00 C ATOM 69 SG CYS A 5 -0.595 8.913 2.995 1.00 0.00 S ATOM 0 H CYS A 5 -1.163 9.672 6.945 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.431 7.018 5.854 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.878 7.290 4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.286 8.920 4.678 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.323 9.837 2.442 1.00 0.00 H new ATOM 74 N SER A 6 1.659 8.200 4.760 1.00 0.00 N ATOM 75 CA SER A 6 3.011 8.743 4.628 1.00 0.00 C ATOM 76 C SER A 6 3.023 10.045 3.840 1.00 0.00 C ATOM 77 O SER A 6 3.692 11.006 4.221 1.00 0.00 O ATOM 78 CB SER A 6 3.926 7.723 3.955 1.00 0.00 C ATOM 79 OG SER A 6 5.275 8.153 3.990 1.00 0.00 O ATOM 0 H SER A 6 1.460 7.401 4.158 1.00 0.00 H new ATOM 0 HA SER A 6 3.378 8.956 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.834 6.760 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.614 7.575 2.921 1.00 0.00 H new ATOM 0 HG SER A 6 5.867 7.372 4.019 1.00 0.00 H new ATOM 85 N ALA A 7 2.287 10.059 2.736 1.00 0.00 N ATOM 86 CA ALA A 7 2.205 11.235 1.866 1.00 0.00 C ATOM 87 C ALA A 7 2.185 12.537 2.668 1.00 0.00 C ATOM 88 O ALA A 7 1.335 12.735 3.535 1.00 0.00 O ATOM 89 CB ALA A 7 0.978 11.145 0.973 1.00 0.00 C ATOM 0 H ALA A 7 1.733 9.265 2.416 1.00 0.00 H new ATOM 0 HA ALA A 7 3.100 11.247 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.929 12.025 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.042 10.249 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.081 11.096 1.591 1.00 0.00 H new ATOM 95 N TYR A 8 3.141 13.414 2.370 1.00 0.00 N ATOM 96 CA TYR A 8 3.257 14.698 3.057 1.00 0.00 C ATOM 97 C TYR A 8 1.959 15.498 2.978 1.00 0.00 C ATOM 98 O TYR A 8 1.409 15.705 1.896 1.00 0.00 O ATOM 99 CB TYR A 8 4.405 15.512 2.454 1.00 0.00 C ATOM 100 CG TYR A 8 4.948 16.574 3.382 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.372 17.836 3.436 1.00 0.00 C ATOM 102 CD2 TYR A 8 6.038 16.314 4.202 1.00 0.00 C ATOM 103 CE1 TYR A 8 4.865 18.810 4.283 1.00 0.00 C ATOM 104 CE2 TYR A 8 6.538 17.283 5.053 1.00 0.00 C ATOM 105 CZ TYR A 8 5.947 18.528 5.089 1.00 0.00 C ATOM 106 OH TYR A 8 6.442 19.496 5.934 1.00 0.00 O ATOM 0 H TYR A 8 3.850 13.257 1.654 1.00 0.00 H new ATOM 0 HA TYR A 8 3.463 14.495 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.213 14.835 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.059 15.986 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.524 18.060 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.503 15.340 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.405 19.787 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.386 17.066 5.685 1.00 0.00 H new ATOM 0 HH TYR A 8 7.204 19.136 6.433 1.00 0.00 H new ATOM 116 N GLY A 9 1.481 15.955 4.134 1.00 0.00 N ATOM 117 CA GLY A 9 0.259 16.741 4.186 1.00 0.00 C ATOM 118 C GLY A 9 -0.864 16.140 3.369 1.00 0.00 C ATOM 119 O GLY A 9 -1.527 16.834 2.599 1.00 0.00 O ATOM 0 H GLY A 9 1.921 15.794 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.063 16.834 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.465 17.748 3.824 1.00 0.00 H new ATOM 123 N CYS A 10 -1.073 14.849 3.540 1.00 0.00 N ATOM 124 CA CYS A 10 -2.115 14.137 2.821 1.00 0.00 C ATOM 125 C CYS A 10 -3.499 14.491 3.375 1.00 0.00 C ATOM 126 O CYS A 10 -3.620 14.964 4.504 1.00 0.00 O ATOM 127 CB CYS A 10 -1.866 12.631 2.908 1.00 0.00 C ATOM 128 SG CYS A 10 -2.981 11.657 1.877 1.00 0.00 S ATOM 0 H CYS A 10 -0.530 14.266 4.177 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.089 14.439 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.837 12.423 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.972 12.313 3.945 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.994 12.144 0.672 1.00 0.00 H new ATOM 133 N LYS A 11 -4.538 14.270 2.568 1.00 0.00 N ATOM 134 CA LYS A 11 -5.904 14.578 2.971 1.00 0.00 C ATOM 135 C LYS A 11 -6.749 13.312 3.118 1.00 0.00 C ATOM 136 O LYS A 11 -7.976 13.359 3.029 1.00 0.00 O ATOM 137 CB LYS A 11 -6.551 15.524 1.958 1.00 0.00 C ATOM 138 CG LYS A 11 -7.254 16.708 2.595 1.00 0.00 C ATOM 139 CD LYS A 11 -6.289 17.858 2.815 1.00 0.00 C ATOM 140 CE LYS A 11 -6.866 18.893 3.769 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.208 18.303 5.093 1.00 0.00 N ATOM 0 H LYS A 11 -4.455 13.878 1.630 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.860 15.065 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.785 15.891 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.270 14.965 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.075 17.034 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.690 16.407 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.350 17.475 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.059 18.330 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.146 19.700 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.759 19.335 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.187 19.046 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.160 17.885 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.516 17.565 5.333 1.00 0.00 H new ATOM 155 N ASN A 12 -6.082 12.190 3.339 1.00 0.00 N ATOM 156 CA ASN A 12 -6.748 10.906 3.500 1.00 0.00 C ATOM 157 C ASN A 12 -7.788 10.934 4.611 1.00 0.00 C ATOM 158 O ASN A 12 -7.808 11.843 5.442 1.00 0.00 O ATOM 159 CB ASN A 12 -5.705 9.848 3.820 1.00 0.00 C ATOM 160 CG ASN A 12 -5.223 9.934 5.258 1.00 0.00 C ATOM 161 OD1 ASN A 12 -3.929 9.788 5.442 1.00 0.00 O flip ATOM 162 ND2 ASN A 12 -6.006 10.126 6.186 1.00 0.00 N flip ATOM 0 H ASN A 12 -5.066 12.143 3.412 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.265 10.676 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.126 8.859 3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.856 9.962 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.003 10.234 5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.659 10.177 7.144 1.00 0.00 H new ATOM 169 N ARG A 13 -8.629 9.907 4.636 1.00 0.00 N ATOM 170 CA ARG A 13 -9.653 9.790 5.677 1.00 0.00 C ATOM 171 C ARG A 13 -10.375 8.446 5.625 1.00 0.00 C ATOM 172 O ARG A 13 -11.129 8.173 4.693 1.00 0.00 O ATOM 173 CB ARG A 13 -10.675 10.927 5.578 1.00 0.00 C ATOM 174 CG ARG A 13 -10.805 11.533 4.186 1.00 0.00 C ATOM 175 CD ARG A 13 -12.261 11.646 3.757 1.00 0.00 C ATOM 176 NE ARG A 13 -13.109 12.169 4.825 1.00 0.00 N ATOM 177 CZ ARG A 13 -13.215 13.463 5.124 1.00 0.00 C ATOM 178 NH1 ARG A 13 -12.525 14.368 4.441 1.00 0.00 N ATOM 179 NH2 ARG A 13 -14.015 13.852 6.108 1.00 0.00 N ATOM 0 H ARG A 13 -8.626 9.147 3.955 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.132 9.859 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.650 10.552 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.396 11.713 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.344 12.521 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.261 10.919 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.332 12.297 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.626 10.665 3.452 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.653 11.504 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.909 14.074 3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.610 15.357 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.548 13.161 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.097 14.842 6.338 1.00 0.00 H new ATOM 193 N TYR A 14 -10.158 7.618 6.650 1.00 0.00 N ATOM 194 CA TYR A 14 -10.807 6.318 6.727 1.00 0.00 C ATOM 195 C TYR A 14 -12.282 6.495 7.073 1.00 0.00 C ATOM 196 O TYR A 14 -12.668 6.443 8.239 1.00 0.00 O ATOM 197 CB TYR A 14 -10.110 5.456 7.779 1.00 0.00 C ATOM 198 CG TYR A 14 -10.548 4.004 7.785 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.839 3.639 8.158 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.665 2.997 7.421 1.00 0.00 C ATOM 201 CE1 TYR A 14 -12.231 2.314 8.165 1.00 0.00 C ATOM 202 CE2 TYR A 14 -10.051 1.670 7.426 1.00 0.00 C ATOM 203 CZ TYR A 14 -11.334 1.334 7.798 1.00 0.00 C ATOM 204 OH TYR A 14 -11.723 0.014 7.804 1.00 0.00 O ATOM 0 H TYR A 14 -9.539 7.829 7.433 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.734 5.819 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.034 5.498 7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.296 5.884 8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.545 4.404 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.658 3.255 7.129 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.236 2.047 8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.350 0.900 7.140 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.973 -0.549 7.519 1.00 0.00 H new ATOM 214 N ASP A 15 -13.100 6.728 6.051 1.00 0.00 N ATOM 215 CA ASP A 15 -14.531 6.931 6.250 1.00 0.00 C ATOM 216 C ASP A 15 -15.339 5.758 5.705 1.00 0.00 C ATOM 217 O ASP A 15 -14.907 5.071 4.779 1.00 0.00 O ATOM 218 CB ASP A 15 -14.982 8.222 5.577 1.00 0.00 C ATOM 219 CG ASP A 15 -16.312 8.718 6.111 1.00 0.00 C ATOM 220 OD1 ASP A 15 -17.322 8.000 5.948 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.343 9.822 6.693 1.00 0.00 O ATOM 0 H ASP A 15 -12.797 6.781 5.078 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.709 7.001 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.224 8.991 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.063 8.059 4.502 1.00 0.00 H new ATOM 226 N LYS A 16 -16.517 5.542 6.280 1.00 0.00 N ATOM 227 CA LYS A 16 -17.390 4.455 5.843 1.00 0.00 C ATOM 228 C LYS A 16 -17.796 4.645 4.386 1.00 0.00 C ATOM 229 O LYS A 16 -18.073 3.680 3.674 1.00 0.00 O ATOM 230 CB LYS A 16 -18.638 4.367 6.732 1.00 0.00 C ATOM 231 CG LYS A 16 -19.601 5.538 6.578 1.00 0.00 C ATOM 232 CD LYS A 16 -21.051 5.074 6.585 1.00 0.00 C ATOM 233 CE LYS A 16 -21.748 5.381 5.269 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.881 5.079 4.096 1.00 0.00 N ATOM 0 H LYS A 16 -16.890 6.102 7.047 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.835 3.521 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.169 3.443 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.324 4.304 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.442 6.250 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.391 6.063 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.089 4.001 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.585 5.561 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.667 4.798 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.035 6.432 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.475 4.922 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.241 5.880 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.321 4.224 4.289 1.00 0.00 H new ATOM 248 N ASP A 17 -17.820 5.898 3.954 1.00 0.00 N ATOM 249 CA ASP A 17 -18.184 6.237 2.588 1.00 0.00 C ATOM 250 C ASP A 17 -16.976 6.113 1.670 1.00 0.00 C ATOM 251 O ASP A 17 -17.008 5.395 0.671 1.00 0.00 O ATOM 252 CB ASP A 17 -18.723 7.666 2.539 1.00 0.00 C ATOM 253 CG ASP A 17 -20.188 7.717 2.153 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.628 6.846 1.374 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.896 8.629 2.630 1.00 0.00 O ATOM 0 H ASP A 17 -17.589 6.702 4.537 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.955 5.545 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.590 8.135 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.141 8.247 1.824 1.00 0.00 H new ATOM 260 N LYS A 18 -15.910 6.821 2.025 1.00 0.00 N ATOM 261 CA LYS A 18 -14.681 6.806 1.246 1.00 0.00 C ATOM 262 C LYS A 18 -13.957 5.470 1.400 1.00 0.00 C ATOM 263 O LYS A 18 -13.431 5.166 2.471 1.00 0.00 O ATOM 264 CB LYS A 18 -13.768 7.942 1.704 1.00 0.00 C ATOM 265 CG LYS A 18 -12.553 8.146 0.814 1.00 0.00 C ATOM 266 CD LYS A 18 -12.766 9.286 -0.169 1.00 0.00 C ATOM 267 CE LYS A 18 -13.244 8.778 -1.519 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.240 7.887 -2.164 1.00 0.00 N ATOM 0 H LYS A 18 -15.874 7.416 2.853 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.936 6.942 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.343 8.868 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.432 7.739 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.680 8.355 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.343 7.227 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.497 9.985 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.834 9.837 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.181 8.237 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.451 9.625 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.342 7.940 -3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.283 8.191 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.394 6.907 -1.851 1.00 0.00 H new ATOM 282 N PRO A 19 -13.920 4.645 0.336 1.00 0.00 N ATOM 283 CA PRO A 19 -13.257 3.335 0.369 1.00 0.00 C ATOM 284 C PRO A 19 -11.738 3.422 0.364 1.00 0.00 C ATOM 285 O PRO A 19 -11.053 2.579 -0.215 1.00 0.00 O ATOM 286 CB PRO A 19 -13.722 2.683 -0.918 1.00 0.00 C ATOM 287 CG PRO A 19 -13.963 3.837 -1.837 1.00 0.00 C ATOM 288 CD PRO A 19 -14.529 4.907 -0.979 1.00 0.00 C ATOM 0 HA PRO A 19 -13.507 2.794 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.968 2.004 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.629 2.098 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.037 4.162 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.653 3.567 -2.636 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.272 5.899 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.617 4.855 -0.936 1.00 0.00 H new ATOM 296 N VAL A 20 -11.228 4.445 1.004 1.00 0.00 N ATOM 297 CA VAL A 20 -9.795 4.672 1.084 1.00 0.00 C ATOM 298 C VAL A 20 -9.136 3.745 2.102 1.00 0.00 C ATOM 299 O VAL A 20 -9.326 3.890 3.310 1.00 0.00 O ATOM 300 CB VAL A 20 -9.488 6.141 1.445 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.913 6.463 2.870 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.013 6.447 1.239 1.00 0.00 C ATOM 0 H VAL A 20 -11.789 5.147 1.486 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.381 4.453 0.100 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.068 6.777 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.683 7.505 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.985 6.298 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.376 5.817 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.817 7.487 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.414 5.795 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.749 6.278 0.195 1.00 0.00 H new ATOM 312 N SER A 21 -8.354 2.794 1.605 1.00 0.00 N ATOM 313 CA SER A 21 -7.659 1.851 2.470 1.00 0.00 C ATOM 314 C SER A 21 -6.219 2.294 2.692 1.00 0.00 C ATOM 315 O SER A 21 -5.697 3.134 1.957 1.00 0.00 O ATOM 316 CB SER A 21 -7.684 0.446 1.867 1.00 0.00 C ATOM 317 OG SER A 21 -7.768 0.496 0.454 1.00 0.00 O ATOM 0 H SER A 21 -8.186 2.656 0.608 1.00 0.00 H new ATOM 0 HA SER A 21 -8.174 1.829 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.785 -0.095 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.534 -0.108 2.265 1.00 0.00 H new ATOM 0 HG SER A 21 -6.925 0.184 0.065 1.00 0.00 H new ATOM 323 N PHE A 22 -5.581 1.729 3.708 1.00 0.00 N ATOM 324 CA PHE A 22 -4.201 2.071 4.024 1.00 0.00 C ATOM 325 C PHE A 22 -3.318 0.831 3.986 1.00 0.00 C ATOM 326 O PHE A 22 -3.761 -0.271 4.310 1.00 0.00 O ATOM 327 CB PHE A 22 -4.134 2.753 5.389 1.00 0.00 C ATOM 328 CG PHE A 22 -4.685 4.154 5.360 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.033 4.375 5.125 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.855 5.248 5.549 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.545 5.660 5.083 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.361 6.537 5.505 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.709 6.742 5.272 1.00 0.00 C ATOM 0 H PHE A 22 -5.996 1.033 4.327 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.827 2.766 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.692 2.161 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.098 2.780 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.692 3.533 4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.802 5.094 5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.598 5.816 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.704 7.381 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.106 7.746 5.238 1.00 0.00 H new ATOM 343 N HIS A 23 -2.075 1.013 3.557 1.00 0.00 N ATOM 344 CA HIS A 23 -1.138 -0.099 3.440 1.00 0.00 C ATOM 345 C HIS A 23 0.234 0.242 4.020 1.00 0.00 C ATOM 346 O HIS A 23 0.835 1.241 3.649 1.00 0.00 O ATOM 347 CB HIS A 23 -0.985 -0.485 1.972 1.00 0.00 C ATOM 348 CG HIS A 23 -2.278 -0.513 1.220 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.839 -1.670 0.726 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.125 0.488 0.882 1.00 0.00 C ATOM 351 CE1 HIS A 23 -3.975 -1.382 0.115 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.173 -0.078 0.197 1.00 0.00 N ATOM 0 H HIS A 23 -1.692 1.918 3.285 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.543 -0.933 4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.309 0.220 1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.518 -1.468 1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.000 1.537 1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.630 -2.091 -0.369 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.973 0.426 -0.186 1.00 0.00 H new ATOM 361 N LYS A 24 0.733 -0.608 4.909 1.00 0.00 N ATOM 362 CA LYS A 24 2.048 -0.396 5.518 1.00 0.00 C ATOM 363 C LYS A 24 3.155 -0.669 4.504 1.00 0.00 C ATOM 364 O LYS A 24 2.935 -1.359 3.509 1.00 0.00 O ATOM 365 CB LYS A 24 2.222 -1.305 6.736 1.00 0.00 C ATOM 366 CG LYS A 24 1.733 -0.682 8.035 1.00 0.00 C ATOM 367 CD LYS A 24 2.868 -0.495 9.028 1.00 0.00 C ATOM 368 CE LYS A 24 3.130 -1.765 9.822 1.00 0.00 C ATOM 369 NZ LYS A 24 3.456 -1.473 11.246 1.00 0.00 N ATOM 0 H LYS A 24 0.252 -1.449 5.226 1.00 0.00 H new ATOM 0 HA LYS A 24 2.114 0.643 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.683 -2.236 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.276 -1.562 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.270 0.282 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.964 -1.316 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.774 -0.204 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.624 0.319 9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.252 -2.410 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.954 -2.315 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.628 -2.365 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.308 -0.879 11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.660 -0.971 11.689 1.00 0.00 H new ATOM 383 N PHE A 25 4.349 -0.128 4.752 1.00 0.00 N ATOM 384 CA PHE A 25 5.465 -0.336 3.838 1.00 0.00 C ATOM 385 C PHE A 25 5.807 -1.819 3.748 1.00 0.00 C ATOM 386 O PHE A 25 5.989 -2.490 4.764 1.00 0.00 O ATOM 387 CB PHE A 25 6.686 0.494 4.245 1.00 0.00 C ATOM 388 CG PHE A 25 6.966 1.609 3.268 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.355 2.844 3.413 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.821 1.410 2.193 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.593 3.863 2.506 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.059 2.424 1.281 1.00 0.00 C ATOM 393 CZ PHE A 25 7.446 3.652 1.438 1.00 0.00 C ATOM 0 H PHE A 25 4.563 0.448 5.566 1.00 0.00 H new ATOM 0 HA PHE A 25 5.161 0.006 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.523 0.915 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.559 -0.155 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.685 3.014 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.306 0.453 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.113 4.822 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.724 2.255 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.632 4.445 0.729 1.00 0.00 H new ATOM 403 N PRO A 26 5.855 -2.356 2.518 1.00 0.00 N ATOM 404 CA PRO A 26 6.124 -3.769 2.270 1.00 0.00 C ATOM 405 C PRO A 26 7.603 -4.076 2.060 1.00 0.00 C ATOM 406 O PRO A 26 8.381 -3.206 1.666 1.00 0.00 O ATOM 407 CB PRO A 26 5.342 -3.980 0.983 1.00 0.00 C ATOM 408 CG PRO A 26 5.607 -2.733 0.220 1.00 0.00 C ATOM 409 CD PRO A 26 5.606 -1.634 1.251 1.00 0.00 C ATOM 0 HA PRO A 26 5.846 -4.413 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.684 -4.863 0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.278 -4.116 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.564 -2.785 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.841 -2.564 -0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.381 -0.894 1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.655 -1.102 1.271 1.00 0.00 H new ATOM 417 N LEU A 27 7.980 -5.324 2.323 1.00 0.00 N ATOM 418 CA LEU A 27 9.356 -5.762 2.163 1.00 0.00 C ATOM 419 C LEU A 27 9.490 -6.742 0.997 1.00 0.00 C ATOM 420 O LEU A 27 10.574 -6.906 0.436 1.00 0.00 O ATOM 421 CB LEU A 27 9.860 -6.412 3.455 1.00 0.00 C ATOM 422 CG LEU A 27 9.825 -5.506 4.687 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.668 -6.335 5.954 1.00 0.00 C ATOM 424 CD2 LEU A 27 11.081 -4.648 4.758 1.00 0.00 C ATOM 0 H LEU A 27 7.344 -6.051 2.650 1.00 0.00 H new ATOM 0 HA LEU A 27 9.965 -4.885 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.259 -7.299 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.885 -6.750 3.299 1.00 0.00 H new ATOM 0 HG LEU A 27 8.964 -4.843 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.645 -5.674 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.738 -6.902 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.508 -7.023 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.037 -4.011 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.958 -5.292 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.148 -4.026 3.865 1.00 0.00 H new ATOM 436 N THR A 28 8.384 -7.386 0.631 1.00 0.00 N ATOM 437 CA THR A 28 8.385 -8.340 -0.473 1.00 0.00 C ATOM 438 C THR A 28 8.667 -7.626 -1.789 1.00 0.00 C ATOM 439 O THR A 28 9.240 -8.203 -2.712 1.00 0.00 O ATOM 440 CB THR A 28 7.044 -9.072 -0.548 1.00 0.00 C ATOM 441 OG1 THR A 28 6.009 -8.277 0.004 1.00 0.00 O ATOM 442 CG2 THR A 28 7.046 -10.397 0.181 1.00 0.00 C ATOM 0 H THR A 28 7.478 -7.264 1.083 1.00 0.00 H new ATOM 0 HA THR A 28 9.172 -9.072 -0.295 1.00 0.00 H new ATOM 0 HB THR A 28 6.874 -9.260 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.159 -8.761 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.066 -10.864 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.802 -11.051 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.272 -10.232 1.235 1.00 0.00 H new ATOM 450 N ARG A 29 8.256 -6.365 -1.857 1.00 0.00 N ATOM 451 CA ARG A 29 8.451 -5.541 -3.031 1.00 0.00 C ATOM 452 C ARG A 29 9.549 -4.514 -2.751 1.00 0.00 C ATOM 453 O ARG A 29 9.282 -3.490 -2.133 1.00 0.00 O ATOM 454 CB ARG A 29 7.125 -4.852 -3.353 1.00 0.00 C ATOM 455 CG ARG A 29 7.179 -3.961 -4.573 1.00 0.00 C ATOM 456 CD ARG A 29 7.057 -2.500 -4.178 1.00 0.00 C ATOM 457 NE ARG A 29 5.692 -2.000 -4.358 1.00 0.00 N ATOM 458 CZ ARG A 29 5.367 -0.815 -4.898 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.297 0.077 -5.257 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.092 -0.515 -5.063 1.00 0.00 N ATOM 0 H ARG A 29 7.777 -5.889 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 29 8.761 -6.144 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.359 -5.612 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.818 -4.256 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.117 -4.122 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.374 -4.226 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.354 -2.379 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.745 -1.903 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 29 4.928 -2.600 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.286 -0.135 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.017 0.969 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.371 -1.180 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.828 0.381 -5.472 1.00 0.00 H new ATOM 474 N PRO A 30 10.810 -4.804 -3.152 1.00 0.00 N ATOM 475 CA PRO A 30 11.960 -3.927 -2.898 1.00 0.00 C ATOM 476 C PRO A 30 12.304 -2.945 -4.026 1.00 0.00 C ATOM 477 O PRO A 30 12.109 -1.741 -3.878 1.00 0.00 O ATOM 478 CB PRO A 30 13.074 -4.931 -2.701 1.00 0.00 C ATOM 479 CG PRO A 30 12.723 -6.098 -3.577 1.00 0.00 C ATOM 480 CD PRO A 30 11.231 -6.037 -3.839 1.00 0.00 C ATOM 0 HA PRO A 30 11.769 -3.257 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.038 -4.507 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.149 -5.233 -1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.279 -6.056 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.989 -7.036 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.012 -5.996 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.718 -6.913 -3.442 1.00 0.00 H new ATOM 488 N SER A 31 12.830 -3.437 -5.148 1.00 0.00 N ATOM 489 CA SER A 31 13.190 -2.554 -6.260 1.00 0.00 C ATOM 490 C SER A 31 12.025 -1.647 -6.590 1.00 0.00 C ATOM 491 O SER A 31 12.144 -0.421 -6.602 1.00 0.00 O ATOM 492 CB SER A 31 13.594 -3.369 -7.489 1.00 0.00 C ATOM 493 OG SER A 31 12.477 -4.041 -8.046 1.00 0.00 O ATOM 0 H SER A 31 13.015 -4.427 -5.311 1.00 0.00 H new ATOM 0 HA SER A 31 14.043 -1.945 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.036 -2.710 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.358 -4.095 -7.212 1.00 0.00 H new ATOM 0 HG SER A 31 12.762 -4.553 -8.831 1.00 0.00 H new ATOM 499 N LEU A 32 10.887 -2.271 -6.796 1.00 0.00 N ATOM 500 CA LEU A 32 9.658 -1.560 -7.069 1.00 0.00 C ATOM 501 C LEU A 32 9.376 -0.612 -5.908 1.00 0.00 C ATOM 502 O LEU A 32 8.850 0.485 -6.087 1.00 0.00 O ATOM 503 CB LEU A 32 8.525 -2.558 -7.207 1.00 0.00 C ATOM 504 CG LEU A 32 7.170 -1.961 -7.577 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.326 -0.830 -8.577 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.266 -3.032 -8.142 1.00 0.00 C ATOM 0 H LEU A 32 10.787 -3.286 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 32 9.747 -0.991 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.799 -3.291 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.421 -3.097 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 32 6.720 -1.554 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.345 -0.424 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.946 -0.045 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.799 -1.208 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.302 -2.594 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.723 -3.460 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.120 -3.815 -7.398 1.00 0.00 H new ATOM 518 N CYS A 33 9.733 -1.071 -4.704 1.00 0.00 N ATOM 519 CA CYS A 33 9.532 -0.303 -3.476 1.00 0.00 C ATOM 520 C CYS A 33 10.126 1.089 -3.584 1.00 0.00 C ATOM 521 O CYS A 33 9.625 2.033 -2.978 1.00 0.00 O ATOM 522 CB CYS A 33 10.171 -1.021 -2.296 1.00 0.00 C ATOM 523 SG CYS A 33 9.400 -0.657 -0.702 1.00 0.00 S ATOM 0 H CYS A 33 10.168 -1.982 -4.556 1.00 0.00 H new ATOM 0 HA CYS A 33 8.457 -0.213 -3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.126 -2.096 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.226 -0.749 -2.247 1.00 0.00 H new ATOM 0 HG CYS A 33 9.205 -1.765 -0.051 1.00 0.00 H new ATOM 529 N LYS A 34 11.186 1.219 -4.367 1.00 0.00 N ATOM 530 CA LYS A 34 11.820 2.508 -4.558 1.00 0.00 C ATOM 531 C LYS A 34 10.742 3.503 -4.958 1.00 0.00 C ATOM 532 O LYS A 34 10.737 4.658 -4.533 1.00 0.00 O ATOM 533 CB LYS A 34 12.915 2.398 -5.640 1.00 0.00 C ATOM 534 CG LYS A 34 13.361 3.736 -6.221 1.00 0.00 C ATOM 535 CD LYS A 34 13.236 3.769 -7.743 1.00 0.00 C ATOM 536 CE LYS A 34 13.848 2.538 -8.405 1.00 0.00 C ATOM 537 NZ LYS A 34 14.140 2.772 -9.845 1.00 0.00 N ATOM 0 H LYS A 34 11.621 0.450 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 34 12.302 2.846 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.782 1.894 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.547 1.768 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.760 4.537 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.396 3.927 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.183 3.839 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.725 4.665 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.768 2.266 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.165 1.694 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.555 1.913 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.258 3.006 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.811 3.561 -9.939 1.00 0.00 H new ATOM 551 N GLU A 35 9.801 3.007 -5.749 1.00 0.00 N ATOM 552 CA GLU A 35 8.679 3.787 -6.203 1.00 0.00 C ATOM 553 C GLU A 35 7.916 4.340 -5.023 1.00 0.00 C ATOM 554 O GLU A 35 7.493 5.497 -5.011 1.00 0.00 O ATOM 555 CB GLU A 35 7.753 2.917 -7.048 1.00 0.00 C ATOM 556 CG GLU A 35 8.442 2.359 -8.260 1.00 0.00 C ATOM 557 CD GLU A 35 7.477 1.998 -9.372 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.330 2.492 -9.344 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.869 1.229 -10.274 1.00 0.00 O ATOM 0 H GLU A 35 9.803 2.046 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 35 9.049 4.616 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.373 2.097 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.891 3.506 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.161 3.089 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.008 1.472 -7.974 1.00 0.00 H new ATOM 566 N TRP A 36 7.768 3.493 -4.018 1.00 0.00 N ATOM 567 CA TRP A 36 7.066 3.876 -2.802 1.00 0.00 C ATOM 568 C TRP A 36 7.748 5.070 -2.168 1.00 0.00 C ATOM 569 O TRP A 36 7.089 5.943 -1.602 1.00 0.00 O ATOM 570 CB TRP A 36 6.953 2.713 -1.840 1.00 0.00 C ATOM 571 CG TRP A 36 5.671 1.958 -1.980 1.00 0.00 C ATOM 572 CD1 TRP A 36 5.060 1.558 -3.129 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.834 1.533 -0.914 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.895 0.887 -2.832 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.741 0.860 -1.469 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.909 1.651 0.463 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.736 0.309 -0.670 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.912 1.109 1.228 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.851 0.449 0.666 1.00 0.00 C ATOM 0 H TRP A 36 8.124 2.537 -4.019 1.00 0.00 H new ATOM 0 HA TRP A 36 6.047 4.164 -3.062 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.788 2.032 -2.003 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.039 3.084 -0.819 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.434 1.740 -4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.254 0.478 -3.512 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.740 2.162 0.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.896 -0.211 -1.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.963 1.204 2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.089 0.031 1.308 1.00 0.00 H new ATOM 590 N GLU A 37 9.067 5.145 -2.314 1.00 0.00 N ATOM 591 CA GLU A 37 9.806 6.284 -1.789 1.00 0.00 C ATOM 592 C GLU A 37 9.256 7.560 -2.396 1.00 0.00 C ATOM 593 O GLU A 37 9.140 8.591 -1.733 1.00 0.00 O ATOM 594 CB GLU A 37 11.282 6.148 -2.130 1.00 0.00 C ATOM 595 CG GLU A 37 11.899 4.860 -1.623 1.00 0.00 C ATOM 596 CD GLU A 37 13.243 5.074 -0.952 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.826 6.165 -1.125 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.709 4.151 -0.252 1.00 0.00 O ATOM 0 H GLU A 37 9.637 4.442 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 37 9.696 6.317 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.404 6.200 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.825 6.994 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.216 4.390 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.021 4.168 -2.457 1.00 0.00 H new ATOM 605 N ALA A 38 8.894 7.460 -3.667 1.00 0.00 N ATOM 606 CA ALA A 38 8.326 8.586 -4.389 1.00 0.00 C ATOM 607 C ALA A 38 7.031 9.016 -3.728 1.00 0.00 C ATOM 608 O ALA A 38 6.704 10.200 -3.677 1.00 0.00 O ATOM 609 CB ALA A 38 8.089 8.222 -5.847 1.00 0.00 C ATOM 0 H ALA A 38 8.984 6.607 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 38 9.030 9.417 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.663 9.078 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.036 7.946 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.398 7.381 -5.904 1.00 0.00 H new ATOM 615 N ALA A 39 6.314 8.036 -3.194 1.00 0.00 N ATOM 616 CA ALA A 39 5.061 8.291 -2.499 1.00 0.00 C ATOM 617 C ALA A 39 5.257 9.371 -1.445 1.00 0.00 C ATOM 618 O ALA A 39 4.324 10.089 -1.087 1.00 0.00 O ATOM 619 CB ALA A 39 4.544 7.013 -1.858 1.00 0.00 C ATOM 0 H ALA A 39 6.581 7.052 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 39 4.323 8.639 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.606 7.218 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.376 6.261 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.278 6.642 -1.143 1.00 0.00 H new ATOM 625 N VAL A 40 6.488 9.473 -0.954 1.00 0.00 N ATOM 626 CA VAL A 40 6.828 10.456 0.056 1.00 0.00 C ATOM 627 C VAL A 40 7.470 11.685 -0.591 1.00 0.00 C ATOM 628 O VAL A 40 6.878 12.764 -0.615 1.00 0.00 O ATOM 629 CB VAL A 40 7.779 9.831 1.106 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.490 10.888 1.933 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.010 8.877 2.007 1.00 0.00 C ATOM 0 H VAL A 40 7.267 8.882 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 40 5.915 10.774 0.560 1.00 0.00 H new ATOM 0 HB VAL A 40 8.546 9.275 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.146 10.404 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.082 11.526 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.753 11.494 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.689 8.443 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.218 9.421 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.571 8.082 1.405 1.00 0.00 H new ATOM 641 N ARG A 41 8.668 11.505 -1.140 1.00 0.00 N ATOM 642 CA ARG A 41 9.381 12.590 -1.822 1.00 0.00 C ATOM 643 C ARG A 41 9.782 13.734 -0.881 1.00 0.00 C ATOM 644 O ARG A 41 10.430 14.688 -1.310 1.00 0.00 O ATOM 645 CB ARG A 41 8.513 13.144 -2.955 1.00 0.00 C ATOM 646 CG ARG A 41 9.241 14.115 -3.871 1.00 0.00 C ATOM 647 CD ARG A 41 10.412 13.448 -4.576 1.00 0.00 C ATOM 648 NE ARG A 41 11.698 13.892 -4.045 1.00 0.00 N ATOM 649 CZ ARG A 41 12.273 15.048 -4.366 1.00 0.00 C ATOM 650 NH1 ARG A 41 11.679 15.881 -5.212 1.00 0.00 N ATOM 651 NH2 ARG A 41 13.446 15.374 -3.841 1.00 0.00 N ATOM 0 H ARG A 41 9.170 10.617 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 41 10.303 12.162 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.135 12.312 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.647 13.646 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.545 14.508 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.601 14.964 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.330 12.366 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.365 13.668 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 41 12.184 13.280 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.777 15.636 -5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.125 16.766 -5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.908 14.738 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.886 16.260 -4.087 1.00 0.00 H new ATOM 665 N ARG A 42 9.401 13.654 0.391 1.00 0.00 N ATOM 666 CA ARG A 42 9.735 14.709 1.344 1.00 0.00 C ATOM 667 C ARG A 42 10.766 14.234 2.369 1.00 0.00 C ATOM 668 O ARG A 42 11.968 14.422 2.183 1.00 0.00 O ATOM 669 CB ARG A 42 8.470 15.205 2.048 1.00 0.00 C ATOM 670 CG ARG A 42 7.959 16.531 1.505 1.00 0.00 C ATOM 671 CD ARG A 42 8.944 17.656 1.774 1.00 0.00 C ATOM 672 NE ARG A 42 8.335 18.973 1.592 1.00 0.00 N ATOM 673 CZ ARG A 42 8.935 20.117 1.910 1.00 0.00 C ATOM 674 NH1 ARG A 42 10.158 20.113 2.427 1.00 0.00 N ATOM 675 NH2 ARG A 42 8.311 21.270 1.712 1.00 0.00 N ATOM 0 H ARG A 42 8.867 12.879 0.783 1.00 0.00 H new ATOM 0 HA ARG A 42 10.179 15.535 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.688 14.453 1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.674 15.311 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.787 16.445 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.999 16.768 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.324 17.570 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.799 17.557 1.106 1.00 0.00 H new ATOM 0 HE ARG A 42 7.395 19.017 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.643 19.229 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.612 20.994 2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.371 21.280 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.771 22.147 1.956 1.00 0.00 H new ATOM 689 N LYS A 43 10.293 13.627 3.455 1.00 0.00 N ATOM 690 CA LYS A 43 11.182 13.141 4.504 1.00 0.00 C ATOM 691 C LYS A 43 11.552 11.680 4.275 1.00 0.00 C ATOM 692 O LYS A 43 10.903 10.979 3.499 1.00 0.00 O ATOM 693 CB LYS A 43 10.519 13.300 5.875 1.00 0.00 C ATOM 694 CG LYS A 43 11.479 13.749 6.966 1.00 0.00 C ATOM 695 CD LYS A 43 11.410 12.840 8.183 1.00 0.00 C ATOM 696 CE LYS A 43 10.010 12.806 8.779 1.00 0.00 C ATOM 697 NZ LYS A 43 9.323 11.509 8.519 1.00 0.00 N ATOM 0 H LYS A 43 9.302 13.461 3.630 1.00 0.00 H new ATOM 0 HA LYS A 43 12.095 13.736 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.708 14.024 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.071 12.350 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.496 13.757 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.242 14.771 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.711 11.831 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.118 13.185 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.070 12.975 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.418 13.620 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.601 11.346 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.869 11.538 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.019 10.737 8.542 1.00 0.00 H new ATOM 711 N ASN A 44 12.598 11.225 4.958 1.00 0.00 N ATOM 712 CA ASN A 44 13.048 9.845 4.831 1.00 0.00 C ATOM 713 C ASN A 44 12.035 8.894 5.467 1.00 0.00 C ATOM 714 O ASN A 44 12.305 8.297 6.509 1.00 0.00 O ATOM 715 CB ASN A 44 14.424 9.666 5.480 1.00 0.00 C ATOM 716 CG ASN A 44 15.414 8.986 4.553 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.125 7.933 3.983 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.590 9.584 4.398 1.00 0.00 N ATOM 0 H ASN A 44 13.148 11.791 5.604 1.00 0.00 H new ATOM 0 HA ASN A 44 13.132 9.607 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.814 10.641 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.320 9.077 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.295 9.172 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.788 10.456 4.889 1.00 0.00 H new ATOM 725 N PHE A 45 10.868 8.763 4.823 1.00 0.00 N ATOM 726 CA PHE A 45 9.775 7.894 5.283 1.00 0.00 C ATOM 727 C PHE A 45 10.144 7.032 6.495 1.00 0.00 C ATOM 728 O PHE A 45 10.398 5.837 6.362 1.00 0.00 O ATOM 729 CB PHE A 45 9.309 6.996 4.123 1.00 0.00 C ATOM 730 CG PHE A 45 10.395 6.137 3.511 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.686 6.117 4.024 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.114 5.347 2.408 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.666 5.331 3.453 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.091 4.557 1.831 1.00 0.00 C ATOM 735 CZ PHE A 45 12.369 4.549 2.356 1.00 0.00 C ATOM 0 H PHE A 45 10.653 9.262 3.960 1.00 0.00 H new ATOM 0 HA PHE A 45 8.968 8.551 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.511 6.347 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.881 7.626 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.926 6.726 4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.117 5.348 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.665 5.328 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.856 3.947 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.134 3.932 1.908 1.00 0.00 H new ATOM 745 N LYS A 46 10.146 7.648 7.678 1.00 0.00 N ATOM 746 CA LYS A 46 10.460 6.936 8.918 1.00 0.00 C ATOM 747 C LYS A 46 9.467 5.795 9.135 1.00 0.00 C ATOM 748 O LYS A 46 8.312 6.028 9.486 1.00 0.00 O ATOM 749 CB LYS A 46 10.425 7.897 10.108 1.00 0.00 C ATOM 750 CG LYS A 46 11.206 7.404 11.317 1.00 0.00 C ATOM 751 CD LYS A 46 12.663 7.841 11.263 1.00 0.00 C ATOM 752 CE LYS A 46 13.549 6.760 10.666 1.00 0.00 C ATOM 753 NZ LYS A 46 13.463 5.482 11.426 1.00 0.00 N ATOM 0 H LYS A 46 9.934 8.638 7.804 1.00 0.00 H new ATOM 0 HA LYS A 46 11.464 6.520 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.826 8.861 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.388 8.062 10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.745 7.786 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.154 6.316 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.749 8.751 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.009 8.082 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.259 6.585 9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.583 7.105 10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.321 4.919 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.378 5.687 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.630 4.946 11.110 1.00 0.00 H new ATOM 767 N PRO A 47 9.896 4.541 8.897 1.00 0.00 N ATOM 768 CA PRO A 47 9.033 3.354 9.029 1.00 0.00 C ATOM 769 C PRO A 47 8.459 3.131 10.429 1.00 0.00 C ATOM 770 O PRO A 47 7.710 2.179 10.651 1.00 0.00 O ATOM 771 CB PRO A 47 9.974 2.207 8.658 1.00 0.00 C ATOM 772 CG PRO A 47 10.929 2.856 7.748 1.00 0.00 C ATOM 773 CD PRO A 47 11.238 4.158 8.433 1.00 0.00 C ATOM 0 HA PRO A 47 8.146 3.451 8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.469 1.790 9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.443 1.388 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.826 2.252 7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.497 3.015 6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.942 4.037 9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.667 4.893 7.752 1.00 0.00 H new ATOM 781 N THR A 48 8.808 3.998 11.367 1.00 0.00 N ATOM 782 CA THR A 48 8.322 3.877 12.737 1.00 0.00 C ATOM 783 C THR A 48 6.798 3.947 12.778 1.00 0.00 C ATOM 784 O THR A 48 6.136 3.053 13.305 1.00 0.00 O ATOM 785 CB THR A 48 8.918 4.992 13.603 1.00 0.00 C ATOM 786 OG1 THR A 48 8.388 4.949 14.916 1.00 0.00 O ATOM 787 CG2 THR A 48 8.656 6.375 13.046 1.00 0.00 C ATOM 0 H THR A 48 9.426 4.794 11.207 1.00 0.00 H new ATOM 0 HA THR A 48 8.634 2.909 13.129 1.00 0.00 H new ATOM 0 HB THR A 48 9.993 4.813 13.610 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.783 5.668 15.452 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.102 7.122 13.702 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.096 6.456 12.052 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.581 6.544 12.982 1.00 0.00 H new ATOM 795 N LYS A 49 6.252 5.015 12.211 1.00 0.00 N ATOM 796 CA LYS A 49 4.812 5.215 12.169 1.00 0.00 C ATOM 797 C LYS A 49 4.359 5.580 10.757 1.00 0.00 C ATOM 798 O LYS A 49 3.197 5.388 10.399 1.00 0.00 O ATOM 799 CB LYS A 49 4.402 6.319 13.147 1.00 0.00 C ATOM 800 CG LYS A 49 5.051 6.188 14.516 1.00 0.00 C ATOM 801 CD LYS A 49 4.273 6.951 15.576 1.00 0.00 C ATOM 802 CE LYS A 49 4.775 8.380 15.715 1.00 0.00 C ATOM 803 NZ LYS A 49 6.115 8.437 16.362 1.00 0.00 N ATOM 0 H LYS A 49 6.791 5.761 11.771 1.00 0.00 H new ATOM 0 HA LYS A 49 4.329 4.282 12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.664 7.287 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.318 6.305 13.264 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.109 5.135 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.073 6.563 14.473 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.214 6.960 15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.362 6.438 16.534 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.827 8.844 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.063 8.959 16.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.283 9.396 16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.151 7.755 17.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.848 8.200 15.663 1.00 0.00 H new ATOM 817 N TYR A 50 5.283 6.120 9.960 1.00 0.00 N ATOM 818 CA TYR A 50 4.974 6.522 8.598 1.00 0.00 C ATOM 819 C TYR A 50 4.998 5.340 7.630 1.00 0.00 C ATOM 820 O TYR A 50 4.445 5.435 6.539 1.00 0.00 O ATOM 821 CB TYR A 50 5.940 7.608 8.127 1.00 0.00 C ATOM 822 CG TYR A 50 5.710 8.946 8.793 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.495 9.607 8.665 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.707 9.547 9.552 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.280 10.829 9.272 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.499 10.770 10.163 1.00 0.00 C ATOM 827 CZ TYR A 50 5.285 11.406 10.020 1.00 0.00 C ATOM 828 OH TYR A 50 5.074 12.624 10.627 1.00 0.00 O ATOM 0 H TYR A 50 6.250 6.287 10.240 1.00 0.00 H new ATOM 0 HA TYR A 50 3.960 6.922 8.603 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.962 7.284 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.844 7.726 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.705 9.158 8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.659 9.051 9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.330 11.330 9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.284 11.224 10.749 1.00 0.00 H new ATOM 0 HH TYR A 50 5.881 12.890 11.116 1.00 0.00 H new ATOM 838 N SER A 51 5.642 4.233 8.023 1.00 0.00 N ATOM 839 CA SER A 51 5.721 3.045 7.161 1.00 0.00 C ATOM 840 C SER A 51 4.334 2.610 6.668 1.00 0.00 C ATOM 841 O SER A 51 3.815 1.570 7.075 1.00 0.00 O ATOM 842 CB SER A 51 6.396 1.885 7.909 1.00 0.00 C ATOM 843 OG SER A 51 5.935 0.625 7.448 1.00 0.00 O ATOM 0 H SER A 51 6.112 4.135 8.923 1.00 0.00 H new ATOM 0 HA SER A 51 6.321 3.311 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.476 1.947 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.198 1.976 8.977 1.00 0.00 H new ATOM 0 HG SER A 51 4.955 0.614 7.450 1.00 0.00 H new ATOM 849 N SER A 52 3.742 3.410 5.787 1.00 0.00 N ATOM 850 CA SER A 52 2.425 3.106 5.235 1.00 0.00 C ATOM 851 C SER A 52 2.024 4.134 4.185 1.00 0.00 C ATOM 852 O SER A 52 2.497 5.267 4.197 1.00 0.00 O ATOM 853 CB SER A 52 1.373 3.051 6.343 1.00 0.00 C ATOM 854 OG SER A 52 1.283 4.289 7.025 1.00 0.00 O ATOM 0 H SER A 52 4.154 4.276 5.439 1.00 0.00 H new ATOM 0 HA SER A 52 2.482 2.128 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.403 2.797 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.626 2.261 7.050 1.00 0.00 H new ATOM 0 HG SER A 52 0.602 4.227 7.727 1.00 0.00 H new ATOM 860 N ILE A 53 1.154 3.727 3.277 1.00 0.00 N ATOM 861 CA ILE A 53 0.683 4.589 2.214 1.00 0.00 C ATOM 862 C ILE A 53 -0.833 4.474 2.117 1.00 0.00 C ATOM 863 O ILE A 53 -1.401 3.460 2.523 1.00 0.00 O ATOM 864 CB ILE A 53 1.305 4.150 0.872 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.824 3.932 1.006 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.988 5.126 -0.266 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.662 5.193 1.030 1.00 0.00 C ATOM 0 H ILE A 53 0.756 2.788 3.258 1.00 0.00 H new ATOM 0 HA ILE A 53 0.970 5.618 2.428 1.00 0.00 H new ATOM 0 HB ILE A 53 0.845 3.197 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.014 3.372 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.159 3.309 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.448 4.772 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.092 5.189 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.382 6.112 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.715 4.928 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.511 5.748 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.364 5.812 1.876 1.00 0.00 H new ATOM 879 N CYS A 54 -1.497 5.492 1.586 1.00 0.00 N ATOM 880 CA CYS A 54 -2.944 5.442 1.464 1.00 0.00 C ATOM 881 C CYS A 54 -3.351 5.292 -0.010 1.00 0.00 C ATOM 882 O CYS A 54 -2.567 5.597 -0.908 1.00 0.00 O ATOM 883 CB CYS A 54 -3.572 6.664 2.140 1.00 0.00 C ATOM 884 SG CYS A 54 -3.790 8.103 1.082 1.00 0.00 S ATOM 0 H CYS A 54 -1.064 6.348 1.239 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.328 4.563 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.545 6.377 2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.950 6.949 2.989 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.628 8.527 0.681 1.00 0.00 H new ATOM 889 N SER A 55 -4.553 4.764 -0.253 1.00 0.00 N ATOM 890 CA SER A 55 -5.029 4.508 -1.613 1.00 0.00 C ATOM 891 C SER A 55 -5.013 5.747 -2.516 1.00 0.00 C ATOM 892 O SER A 55 -4.762 5.638 -3.715 1.00 0.00 O ATOM 893 CB SER A 55 -6.446 3.932 -1.568 1.00 0.00 C ATOM 894 OG SER A 55 -6.780 3.508 -0.259 1.00 0.00 O ATOM 0 H SER A 55 -5.216 4.505 0.478 1.00 0.00 H new ATOM 0 HA SER A 55 -4.332 3.792 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.159 4.685 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.523 3.091 -2.257 1.00 0.00 H new ATOM 0 HG SER A 55 -6.027 3.014 0.127 1.00 0.00 H new ATOM 900 N GLU A 56 -5.316 6.912 -1.952 1.00 0.00 N ATOM 901 CA GLU A 56 -5.374 8.150 -2.697 1.00 0.00 C ATOM 902 C GLU A 56 -4.242 8.311 -3.721 1.00 0.00 C ATOM 903 O GLU A 56 -4.398 9.024 -4.711 1.00 0.00 O ATOM 904 CB GLU A 56 -5.361 9.305 -1.710 1.00 0.00 C ATOM 905 CG GLU A 56 -6.494 9.242 -0.710 1.00 0.00 C ATOM 906 CD GLU A 56 -6.930 10.614 -0.237 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.054 11.413 0.156 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.148 10.891 -0.258 1.00 0.00 O ATOM 0 H GLU A 56 -5.528 7.017 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.295 8.139 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.411 9.307 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.420 10.245 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.344 8.730 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.183 8.647 0.149 1.00 0.00 H new ATOM 915 N HIS A 57 -3.103 7.672 -3.474 1.00 0.00 N ATOM 916 CA HIS A 57 -1.955 7.783 -4.380 1.00 0.00 C ATOM 917 C HIS A 57 -1.841 6.572 -5.298 1.00 0.00 C ATOM 918 O HIS A 57 -1.181 6.630 -6.335 1.00 0.00 O ATOM 919 CB HIS A 57 -0.669 7.948 -3.558 1.00 0.00 C ATOM 920 CG HIS A 57 -0.859 8.842 -2.385 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.382 10.113 -2.473 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.662 8.598 -1.080 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.507 10.612 -1.249 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.077 9.704 -0.378 1.00 0.00 N ATOM 0 H HIS A 57 -2.946 7.075 -2.662 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.104 8.658 -5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.332 6.970 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.118 8.351 -4.196 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.632 10.593 -3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.251 7.693 -0.657 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.893 11.590 -1.002 1.00 0.00 H new ATOM 932 N PHE A 58 -2.484 5.478 -4.915 1.00 0.00 N ATOM 933 CA PHE A 58 -2.447 4.260 -5.710 1.00 0.00 C ATOM 934 C PHE A 58 -3.525 4.285 -6.794 1.00 0.00 C ATOM 935 O PHE A 58 -4.497 5.035 -6.692 1.00 0.00 O ATOM 936 CB PHE A 58 -2.650 3.047 -4.808 1.00 0.00 C ATOM 937 CG PHE A 58 -1.407 2.652 -4.073 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.375 2.011 -4.737 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.264 2.928 -2.724 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.776 1.650 -4.068 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.115 2.569 -2.051 1.00 0.00 C ATOM 942 CZ PHE A 58 0.905 1.931 -2.723 1.00 0.00 C ATOM 0 H PHE A 58 -3.036 5.409 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.473 4.194 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.438 3.265 -4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.992 2.206 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.472 1.791 -5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.060 3.429 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.574 1.149 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.015 2.788 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.806 1.651 -2.197 1.00 0.00 H new ATOM 952 N THR A 59 -3.362 3.455 -7.825 1.00 0.00 N ATOM 953 CA THR A 59 -4.344 3.391 -8.906 1.00 0.00 C ATOM 954 C THR A 59 -5.523 2.506 -8.510 1.00 0.00 C ATOM 955 O THR A 59 -5.353 1.475 -7.858 1.00 0.00 O ATOM 956 CB THR A 59 -3.723 2.852 -10.201 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.961 1.687 -9.944 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.822 3.837 -10.927 1.00 0.00 C ATOM 0 H THR A 59 -2.568 2.824 -7.934 1.00 0.00 H new ATOM 0 HA THR A 59 -4.693 4.408 -9.083 1.00 0.00 H new ATOM 0 HB THR A 59 -4.577 2.644 -10.845 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.575 1.357 -10.782 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.427 3.372 -11.830 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.395 4.724 -11.197 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.996 4.123 -10.276 1.00 0.00 H new ATOM 966 N PRO A 60 -6.736 2.904 -8.916 1.00 0.00 N ATOM 967 CA PRO A 60 -7.968 2.157 -8.626 1.00 0.00 C ATOM 968 C PRO A 60 -7.872 0.696 -9.052 1.00 0.00 C ATOM 969 O PRO A 60 -8.353 -0.199 -8.359 1.00 0.00 O ATOM 970 CB PRO A 60 -9.018 2.879 -9.475 1.00 0.00 C ATOM 971 CG PRO A 60 -8.490 4.249 -9.625 1.00 0.00 C ATOM 972 CD PRO A 60 -7.002 4.116 -9.704 1.00 0.00 C ATOM 0 HA PRO A 60 -8.191 2.135 -7.559 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.148 2.395 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.992 2.880 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.887 4.723 -10.523 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.781 4.873 -8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.660 4.011 -10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.496 4.987 -9.288 1.00 0.00 H new ATOM 980 N ASP A 61 -7.258 0.470 -10.208 1.00 0.00 N ATOM 981 CA ASP A 61 -7.106 -0.876 -10.748 1.00 0.00 C ATOM 982 C ASP A 61 -6.202 -1.735 -9.873 1.00 0.00 C ATOM 983 O ASP A 61 -6.336 -2.959 -9.838 1.00 0.00 O ATOM 984 CB ASP A 61 -6.549 -0.816 -12.172 1.00 0.00 C ATOM 985 CG ASP A 61 -6.572 -2.166 -12.859 1.00 0.00 C ATOM 986 OD1 ASP A 61 -7.628 -2.832 -12.825 1.00 0.00 O ATOM 987 OD2 ASP A 61 -5.535 -2.559 -13.433 1.00 0.00 O ATOM 0 H ASP A 61 -6.856 1.204 -10.791 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.094 -1.337 -10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.131 -0.104 -12.757 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.525 -0.444 -12.143 1.00 0.00 H new ATOM 992 N CYS A 62 -5.277 -1.093 -9.177 1.00 0.00 N ATOM 993 CA CYS A 62 -4.345 -1.795 -8.313 1.00 0.00 C ATOM 994 C CYS A 62 -5.066 -2.530 -7.177 1.00 0.00 C ATOM 995 O CYS A 62 -4.481 -3.394 -6.525 1.00 0.00 O ATOM 996 CB CYS A 62 -3.313 -0.804 -7.756 1.00 0.00 C ATOM 997 SG CYS A 62 -3.673 -0.188 -6.091 1.00 0.00 S ATOM 0 H CYS A 62 -5.153 -0.081 -9.195 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.832 -2.552 -8.906 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.336 -1.286 -7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.243 0.046 -8.435 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.960 -0.151 -5.911 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.332 -2.186 -6.941 1.00 0.00 N ATOM 1004 CA PHE A 63 -7.105 -2.822 -5.881 1.00 0.00 C ATOM 1005 C PHE A 63 -7.961 -3.953 -6.441 1.00 0.00 C ATOM 1006 O PHE A 63 -9.147 -4.062 -6.130 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.989 -1.791 -5.178 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.241 -0.919 -4.209 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -7.083 -1.306 -2.888 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -6.697 0.288 -4.620 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -6.397 -0.507 -1.995 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.010 1.091 -3.730 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.859 0.694 -2.417 1.00 0.00 C ATOM 0 H PHE A 63 -6.839 -1.475 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.409 -3.243 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.465 -1.160 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.786 -2.310 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.501 -2.244 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.811 0.604 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.281 -0.820 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.591 2.029 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.321 1.321 -1.721 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.670 -4.338 -2.131 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.591 -3.796 -2.977 1.00 0.00 C ATOM 1166 C LEU A 72 0.364 -4.879 -3.489 1.00 0.00 C ATOM 1167 O LEU A 72 1.451 -5.081 -2.948 1.00 0.00 O ATOM 1168 CB LEU A 72 0.193 -2.742 -2.185 1.00 0.00 C ATOM 1169 CG LEU A 72 0.937 -3.284 -0.959 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.308 -2.639 -0.826 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.113 -3.064 0.299 1.00 0.00 C ATOM 0 HA LEU A 72 -1.058 -3.347 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.915 -2.269 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.498 -1.964 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 72 1.083 -4.356 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.815 -3.040 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.899 -2.853 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.194 -1.560 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.654 -3.454 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.066 -1.997 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.841 -3.583 0.204 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.060 -5.572 -4.540 1.00 0.00 N ATOM 1184 CA LYS A 73 0.738 -6.637 -5.136 1.00 0.00 C ATOM 1185 C LYS A 73 1.873 -6.074 -5.978 1.00 0.00 C ATOM 1186 O LYS A 73 2.063 -4.860 -6.062 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.148 -7.542 -5.994 1.00 0.00 C ATOM 1188 CG LYS A 73 0.117 -9.024 -5.784 1.00 0.00 C ATOM 1189 CD LYS A 73 -0.725 -9.584 -4.649 1.00 0.00 C ATOM 1190 CE LYS A 73 0.040 -10.626 -3.850 1.00 0.00 C ATOM 1191 NZ LYS A 73 -0.555 -10.840 -2.501 1.00 0.00 N ATOM 0 H LYS A 73 -0.957 -5.414 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 73 1.175 -7.221 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.194 -7.332 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.007 -7.298 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.101 -9.568 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.174 -9.179 -5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.034 -8.773 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.634 -10.029 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.048 -11.569 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.078 -10.311 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.004 -11.558 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.539 -9.947 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.538 -11.165 -2.603 1.00 0.00 H new ATOM 1205 N GLU A 74 2.624 -6.974 -6.600 1.00 0.00 N ATOM 1206 CA GLU A 74 3.754 -6.597 -7.447 1.00 0.00 C ATOM 1207 C GLU A 74 3.394 -5.440 -8.375 1.00 0.00 C ATOM 1208 O GLU A 74 4.252 -4.652 -8.763 1.00 0.00 O ATOM 1209 CB GLU A 74 4.224 -7.798 -8.269 1.00 0.00 C ATOM 1210 CG GLU A 74 5.431 -7.504 -9.144 1.00 0.00 C ATOM 1211 CD GLU A 74 5.369 -8.216 -10.480 1.00 0.00 C ATOM 1212 OE1 GLU A 74 5.017 -9.414 -10.498 1.00 0.00 O ATOM 1213 OE2 GLU A 74 5.671 -7.576 -11.509 1.00 0.00 O ATOM 0 H GLU A 74 2.470 -7.980 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 74 4.563 -6.268 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.468 -8.617 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.403 -8.139 -8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.500 -6.429 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.338 -7.804 -8.618 1.00 0.00 H new ATOM 1220 N ASN A 75 2.120 -5.346 -8.721 1.00 0.00 N ATOM 1221 CA ASN A 75 1.640 -4.283 -9.596 1.00 0.00 C ATOM 1222 C ASN A 75 1.641 -2.948 -8.867 1.00 0.00 C ATOM 1223 O ASN A 75 2.015 -1.915 -9.425 1.00 0.00 O ATOM 1224 CB ASN A 75 0.227 -4.599 -10.081 1.00 0.00 C ATOM 1225 CG ASN A 75 0.188 -5.798 -11.008 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.822 -5.803 -12.063 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.558 -6.825 -10.617 1.00 0.00 N ATOM 0 H ASN A 75 1.396 -5.994 -8.409 1.00 0.00 H new ATOM 0 HA ASN A 75 2.310 -4.217 -10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.416 -4.787 -9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.179 -3.730 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.622 -7.660 -11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.067 -6.779 -9.734 1.00 0.00 H new ATOM 1234 N ALA A 76 1.198 -2.994 -7.619 1.00 0.00 N ATOM 1235 CA ALA A 76 1.105 -1.821 -6.754 1.00 0.00 C ATOM 1236 C ALA A 76 2.147 -0.761 -7.068 1.00 0.00 C ATOM 1237 O ALA A 76 3.298 -1.071 -7.366 1.00 0.00 O ATOM 1238 CB ALA A 76 1.198 -2.239 -5.296 1.00 0.00 C ATOM 0 H ALA A 76 0.889 -3.856 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 76 0.134 -1.365 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.128 -1.357 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.382 -2.922 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.151 -2.738 -5.121 1.00 0.00 H new ATOM 1244 N VAL A 77 1.708 0.495 -7.005 1.00 0.00 N ATOM 1245 CA VAL A 77 2.559 1.639 -7.288 1.00 0.00 C ATOM 1246 C VAL A 77 1.817 2.945 -6.952 1.00 0.00 C ATOM 1247 O VAL A 77 0.635 3.084 -7.266 1.00 0.00 O ATOM 1248 CB VAL A 77 2.951 1.637 -8.785 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.303 3.036 -9.281 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.099 0.678 -9.048 1.00 0.00 C ATOM 0 H VAL A 77 0.751 0.743 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 77 3.458 1.572 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 77 2.079 1.296 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.572 2.991 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.443 3.694 -9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.145 3.424 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.353 0.697 -10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.967 0.979 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.802 -0.332 -8.764 1.00 0.00 H new ATOM 1260 N PRO A 78 2.494 3.921 -6.315 1.00 0.00 N ATOM 1261 CA PRO A 78 1.888 5.206 -5.950 1.00 0.00 C ATOM 1262 C PRO A 78 1.960 6.246 -7.070 1.00 0.00 C ATOM 1263 O PRO A 78 2.112 7.436 -6.802 1.00 0.00 O ATOM 1264 CB PRO A 78 2.736 5.646 -4.773 1.00 0.00 C ATOM 1265 CG PRO A 78 4.097 5.110 -5.068 1.00 0.00 C ATOM 1266 CD PRO A 78 3.905 3.858 -5.892 1.00 0.00 C ATOM 0 HA PRO A 78 0.824 5.108 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.750 6.732 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.348 5.249 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.692 5.844 -5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.633 4.887 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.578 3.837 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.106 2.961 -5.307 1.00 0.00 H new ATOM 1274 N THR A 79 1.862 5.772 -8.314 1.00 0.00 N ATOM 1275 CA THR A 79 1.916 6.610 -9.526 1.00 0.00 C ATOM 1276 C THR A 79 1.931 8.121 -9.256 1.00 0.00 C ATOM 1277 O THR A 79 2.812 8.830 -9.741 1.00 0.00 O ATOM 1278 CB THR A 79 0.733 6.277 -10.435 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.488 6.668 -9.833 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.628 4.805 -10.770 1.00 0.00 C ATOM 0 H THR A 79 1.741 4.780 -8.517 1.00 0.00 H new ATOM 0 HA THR A 79 2.867 6.375 -10.005 1.00 0.00 H new ATOM 0 HB THR A 79 0.915 6.830 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.233 6.448 -10.431 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.233 4.640 -11.418 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.535 4.483 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.506 4.231 -9.852 1.00 0.00 H new ATOM 1288 N ILE A 80 0.934 8.615 -8.521 1.00 0.00 N ATOM 1289 CA ILE A 80 0.816 10.038 -8.236 1.00 0.00 C ATOM 1290 C ILE A 80 2.160 10.712 -7.930 1.00 0.00 C ATOM 1291 O ILE A 80 2.338 11.896 -8.213 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.180 10.295 -7.100 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.576 10.215 -7.688 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.042 11.660 -6.450 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.664 10.388 -6.673 1.00 0.00 C ATOM 0 H ILE A 80 0.195 8.044 -8.112 1.00 0.00 H new ATOM 0 HA ILE A 80 0.439 10.493 -9.152 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.041 9.548 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.682 10.981 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.699 9.250 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.684 11.804 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.050 11.707 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.082 12.443 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.634 10.319 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.584 9.607 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.566 11.364 -6.198 1.00 0.00 H new ATOM 1307 N PHE A 81 3.104 9.966 -7.355 1.00 0.00 N ATOM 1308 CA PHE A 81 4.407 10.520 -7.027 1.00 0.00 C ATOM 1309 C PHE A 81 5.518 9.881 -7.860 1.00 0.00 C ATOM 1310 O PHE A 81 6.670 10.312 -7.800 1.00 0.00 O ATOM 1311 CB PHE A 81 4.725 10.373 -5.530 1.00 0.00 C ATOM 1312 CG PHE A 81 3.617 10.813 -4.616 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.364 10.228 -4.688 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.835 11.807 -3.676 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.352 10.626 -3.843 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.821 12.210 -2.827 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.579 11.617 -2.911 1.00 0.00 C ATOM 0 H PHE A 81 2.987 8.983 -7.110 1.00 0.00 H new ATOM 0 HA PHE A 81 4.363 11.582 -7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.959 9.329 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.620 10.952 -5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.178 9.451 -5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.807 12.272 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.379 10.161 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.001 12.988 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.785 11.928 -2.248 1.00 0.00 H new ATOM 1327 N LEU A 82 5.174 8.860 -8.640 1.00 0.00 N ATOM 1328 CA LEU A 82 6.152 8.178 -9.482 1.00 0.00 C ATOM 1329 C LEU A 82 6.839 9.166 -10.422 1.00 0.00 C ATOM 1330 O LEU A 82 6.179 9.873 -11.184 1.00 0.00 O ATOM 1331 CB LEU A 82 5.477 7.069 -10.291 1.00 0.00 C ATOM 1332 CG LEU A 82 6.397 6.323 -11.260 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.999 5.098 -10.588 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.637 5.924 -12.516 1.00 0.00 C ATOM 0 H LEU A 82 4.227 8.487 -8.706 1.00 0.00 H new ATOM 0 HA LEU A 82 6.907 7.733 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.042 6.348 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.653 7.503 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 82 7.209 6.991 -11.547 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.650 4.580 -11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.578 5.408 -9.718 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.200 4.427 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.307 5.395 -13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.805 5.274 -12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.254 6.818 -13.009 1.00 0.00 H new