USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 79 THR OG1 : rot 180:sc= -0.497 USER MOD Set 1.2: A 87 GLN : amide:sc= -8.41! C(o=-8.9!,f=-20!) USER MOD Set 2.1: A 69 SER OG : rot -72:sc= 0.274 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.712 K(o=-0.44,f=-2.4) USER MOD Set 3.1: A 31 THR OG1 : rot 159:sc= -7.64! USER MOD Set 3.2: A 39 GLN : amide:sc= -8.04! C(o=-16!,f=-15!) USER MOD Set 4.1: A 1 GLY N :NH3+ -170:sc= -23.6! (180deg=-15.9!) USER MOD Set 4.2: A 22 ASN : amide:sc= -5.4! C(o=-55!,f=-63!) USER MOD Set 4.3: A 23 ASN : amide:sc= -26.3! C(o=-55!,f=-64!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 29:sc= 0.945 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.17) USER MOD Single : A 12 ASN : amide:sc= -3.03! C(o=-3!,f=-5.1!) USER MOD Single : A 13 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.3) USER MOD Single : A 18 ASN : amide:sc= -6.93! C(o=-6.9!,f=-22!) USER MOD Single : A 21 SER OG : rot 40:sc= 0.907 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 4:sc= 0.917 USER MOD Single : A 34 SER OG : rot -42:sc= 0.197 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 170:sc= -5.46! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= -2.36! (180deg=-2.55!) USER MOD Single : A 53 THR OG1 : rot -158:sc= -5.17! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -4.66! C(o=-4.7!,f=-3.4!) USER MOD Single : A 71 SER OG : rot 25:sc= 0.569! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -5.45! C(o=-5.4!,f=-9.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.981 -5.176 3.710 1.00 1.00 N ATOM 2 CA GLY A 1 6.602 -6.146 2.920 1.00 1.00 C ATOM 3 C GLY A 1 6.453 -7.360 3.707 1.00 1.00 C ATOM 4 O GLY A 1 7.475 -8.054 3.916 1.00 1.00 O ATOM 0 H1 GLY A 1 6.928 -4.272 3.199 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.357 -5.141 4.541 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.960 -5.342 4.019 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.659 -5.892 2.436 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.336 -6.297 2.129 1.00 1.00 H new ATOM 10 N SER A 2 5.123 -7.744 4.261 1.00 1.00 N ATOM 11 CA SER A 2 5.022 -8.976 5.034 1.00 1.00 C ATOM 12 C SER A 2 3.942 -9.776 4.458 1.00 1.00 C ATOM 13 O SER A 2 4.180 -10.849 3.893 1.00 1.00 O ATOM 14 CB SER A 2 4.761 -8.648 6.506 1.00 1.00 C ATOM 15 OG SER A 2 5.279 -9.680 7.347 1.00 1.00 O ATOM 0 H SER A 2 4.258 -7.216 4.149 1.00 1.00 H new ATOM 0 HA SER A 2 5.952 -9.543 4.992 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.226 -7.695 6.761 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.690 -8.536 6.676 1.00 1.00 H new ATOM 0 HG SER A 2 5.106 -9.455 8.285 1.00 1.00 H new ATOM 21 N GLY A 3 2.769 -9.336 4.623 1.00 1.00 N ATOM 22 CA GLY A 3 1.641 -10.039 4.123 1.00 1.00 C ATOM 23 C GLY A 3 0.512 -9.097 3.855 1.00 1.00 C ATOM 24 O GLY A 3 0.575 -7.940 4.204 1.00 1.00 O ATOM 0 H GLY A 3 2.546 -8.469 5.112 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.910 -10.564 3.206 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.328 -10.795 4.843 1.00 1.00 H new ATOM 28 N PRO A 4 -0.528 -9.572 3.238 1.00 1.00 N ATOM 29 CA PRO A 4 -1.713 -8.726 2.904 1.00 1.00 C ATOM 30 C PRO A 4 -2.175 -8.146 4.039 1.00 1.00 C ATOM 31 O PRO A 4 -3.067 -8.680 4.669 1.00 1.00 O ATOM 32 CB PRO A 4 -2.745 -9.713 2.331 1.00 1.00 C ATOM 33 CG PRO A 4 -2.204 -11.084 2.691 1.00 1.00 C ATOM 34 CD PRO A 4 -0.685 -10.925 2.817 1.00 1.00 C ATOM 0 HA PRO A 4 -1.489 -7.926 2.198 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.732 -9.550 2.764 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.847 -9.598 1.252 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.637 -11.440 3.626 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.456 -11.816 1.924 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.267 -11.623 3.543 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.181 -11.112 1.868 1.00 1.00 H new ATOM 42 N THR A 5 -1.652 -7.089 4.387 1.00 1.00 N ATOM 43 CA THR A 5 -2.025 -6.448 5.552 1.00 1.00 C ATOM 44 C THR A 5 -0.942 -5.672 6.082 1.00 1.00 C ATOM 45 O THR A 5 -1.193 -4.910 6.881 1.00 1.00 O ATOM 46 CB THR A 5 -2.420 -7.415 6.740 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.219 -6.738 7.995 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.567 -8.772 6.750 1.00 1.00 C ATOM 0 H THR A 5 -0.921 -6.613 3.858 1.00 1.00 H new ATOM 0 HA THR A 5 -2.886 -5.855 5.244 1.00 1.00 H new ATOM 0 HB THR A 5 -3.467 -7.682 6.596 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.335 -5.773 7.868 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.883 -9.394 7.587 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.729 -9.310 5.816 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.508 -8.535 6.853 1.00 1.00 H new ATOM 56 N TYR A 6 0.499 -6.064 5.794 1.00 1.00 N ATOM 57 CA TYR A 6 1.545 -5.382 6.555 1.00 1.00 C ATOM 58 C TYR A 6 1.306 -4.202 6.822 1.00 1.00 C ATOM 59 O TYR A 6 1.808 -3.655 7.832 1.00 1.00 O ATOM 60 CB TYR A 6 2.950 -5.447 6.103 1.00 1.00 C ATOM 61 CG TYR A 6 3.897 -5.050 7.564 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.242 -6.069 8.489 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.297 -3.682 7.901 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.957 -5.765 9.664 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.011 -3.424 9.081 1.00 1.00 C ATOM 66 CZ TYR A 6 5.338 -4.457 9.948 1.00 1.00 C ATOM 67 OH TYR A 6 6.033 -4.183 11.108 1.00 1.00 O ATOM 0 H TYR A 6 0.810 -6.761 5.117 1.00 1.00 H new ATOM 0 HA TYR A 6 1.485 -6.025 7.433 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.201 -6.437 5.722 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.143 -4.738 5.298 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.953 -7.090 8.290 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.041 -2.868 7.238 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.213 -6.557 10.353 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.309 -2.413 9.317 1.00 1.00 H new ATOM 0 HH TYR A 6 6.224 -3.223 11.156 1.00 1.00 H new ATOM 77 N CYS A 7 0.528 -3.637 6.063 1.00 1.00 N ATOM 78 CA CYS A 7 0.205 -2.414 6.307 1.00 1.00 C ATOM 79 C CYS A 7 1.298 -1.494 6.480 1.00 1.00 C ATOM 80 O CYS A 7 1.372 -0.773 7.490 1.00 1.00 O ATOM 81 CB CYS A 7 -0.620 -2.394 7.527 1.00 1.00 C ATOM 82 SG CYS A 7 -1.286 -0.677 7.833 1.00 1.00 S ATOM 0 H CYS A 7 0.101 -4.053 5.235 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.322 -2.067 5.418 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.445 -3.099 7.427 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.026 -2.718 8.381 1.00 1.00 H new ATOM 87 N TRP A 8 2.083 -1.424 5.506 1.00 1.00 N ATOM 88 CA TRP A 8 3.122 -0.428 5.547 1.00 1.00 C ATOM 89 C TRP A 8 2.370 0.837 5.922 1.00 1.00 C ATOM 90 O TRP A 8 1.589 1.274 5.119 1.00 1.00 O ATOM 91 CB TRP A 8 3.743 -0.213 4.246 1.00 1.00 C ATOM 92 CG TRP A 8 5.038 0.777 4.464 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.349 1.966 3.750 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.150 0.666 5.508 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.538 2.481 4.227 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.058 1.739 5.317 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.464 -0.273 6.587 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.198 1.887 6.135 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.604 -0.091 7.382 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.457 0.975 7.159 1.00 1.00 C ATOM 0 H TRP A 8 2.057 -2.013 4.674 1.00 1.00 H new ATOM 0 HA TRP A 8 3.921 -0.720 6.228 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.057 -1.162 3.811 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.032 0.236 3.553 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.751 2.397 2.961 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.993 3.306 3.837 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.811 -1.113 6.772 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.875 2.712 5.968 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.819 -0.790 8.177 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.330 1.102 7.782 1.00 1.00 H new ATOM 111 N ASN A 9 2.457 1.357 7.160 1.00 1.00 N ATOM 112 CA ASN A 9 1.599 2.471 7.533 1.00 1.00 C ATOM 113 C ASN A 9 1.267 3.385 6.444 1.00 1.00 C ATOM 114 O ASN A 9 0.141 3.871 6.341 1.00 1.00 O ATOM 115 CB ASN A 9 2.208 3.237 8.703 1.00 1.00 C ATOM 116 CG ASN A 9 2.452 2.291 9.876 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.534 1.606 10.325 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.645 2.213 10.403 1.00 1.00 N ATOM 0 H ASN A 9 3.092 1.031 7.889 1.00 1.00 H new ATOM 0 HA ASN A 9 0.651 2.020 7.826 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.146 3.699 8.397 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.540 4.043 9.008 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.816 1.584 11.187 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.405 2.781 10.030 1.00 1.00 H new ATOM 125 N GLU A 10 2.168 3.631 5.685 1.00 1.00 N ATOM 126 CA GLU A 10 2.005 4.521 4.589 1.00 1.00 C ATOM 127 C GLU A 10 1.258 5.791 4.982 1.00 1.00 C ATOM 128 O GLU A 10 0.326 6.238 4.296 1.00 1.00 O ATOM 129 CB GLU A 10 1.300 3.902 3.368 1.00 1.00 C ATOM 130 CG GLU A 10 2.144 2.832 2.774 1.00 1.00 C ATOM 131 CD GLU A 10 1.283 1.796 2.030 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.771 2.130 0.973 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.154 0.690 2.532 1.00 1.00 O ATOM 0 H GLU A 10 3.102 3.230 5.764 1.00 1.00 H new ATOM 0 HA GLU A 10 3.028 4.761 4.299 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.335 3.491 3.666 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.102 4.673 2.624 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.864 3.273 2.085 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.716 2.338 3.559 1.00 1.00 H new ATOM 140 N ALA A 11 1.751 6.400 6.004 1.00 1.00 N ATOM 141 CA ALA A 11 1.298 7.581 6.403 1.00 1.00 C ATOM 142 C ALA A 11 2.296 8.092 7.342 1.00 1.00 C ATOM 143 O ALA A 11 2.500 7.523 8.402 1.00 1.00 O ATOM 144 CB ALA A 11 -0.017 7.509 6.992 1.00 1.00 C ATOM 0 H ALA A 11 2.512 6.029 6.573 1.00 1.00 H new ATOM 0 HA ALA A 11 1.170 8.251 5.553 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.333 8.506 7.299 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.722 7.113 6.261 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.009 6.853 7.862 1.00 1.00 H new ATOM 150 N ASN A 12 2.845 9.103 6.992 1.00 1.00 N ATOM 151 CA ASN A 12 3.877 9.830 7.797 1.00 1.00 C ATOM 152 C ASN A 12 4.850 10.725 6.810 1.00 1.00 C ATOM 153 O ASN A 12 6.046 10.865 7.054 1.00 1.00 O ATOM 154 CB ASN A 12 4.700 8.812 8.663 1.00 1.00 C ATOM 155 CG ASN A 12 6.065 9.349 9.029 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.062 8.641 8.914 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.173 10.564 9.467 1.00 1.00 N ATOM 0 H ASN A 12 2.645 9.554 6.099 1.00 1.00 H new ATOM 0 HA ASN A 12 3.381 10.521 8.479 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.146 8.580 9.573 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.814 7.878 8.113 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.089 10.936 9.718 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.342 11.148 9.561 1.00 1.00 H new ATOM 164 N ASN A 13 4.229 11.415 5.758 1.00 1.00 N ATOM 165 CA ASN A 13 4.959 12.321 4.891 1.00 1.00 C ATOM 166 C ASN A 13 4.060 12.797 3.679 1.00 1.00 C ATOM 167 O ASN A 13 3.062 12.162 3.354 1.00 1.00 O ATOM 168 CB ASN A 13 6.232 11.662 4.339 1.00 1.00 C ATOM 169 CG ASN A 13 7.498 12.521 4.626 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.072 13.107 3.710 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.948 12.617 5.843 1.00 1.00 N ATOM 0 H ASN A 13 3.238 11.330 5.533 1.00 1.00 H new ATOM 0 HA ASN A 13 5.237 13.184 5.496 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.353 10.675 4.785 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.128 11.515 3.264 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.777 13.178 6.037 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.472 12.131 6.603 1.00 1.00 H new ATOM 178 N PRO A 14 4.465 13.896 2.996 1.00 1.00 N ATOM 179 CA PRO A 14 3.757 14.433 1.787 1.00 1.00 C ATOM 180 C PRO A 14 4.247 13.764 0.483 1.00 1.00 C ATOM 181 O PRO A 14 3.436 13.406 -0.373 1.00 1.00 O ATOM 182 CB PRO A 14 4.081 15.948 1.799 1.00 1.00 C ATOM 183 CG PRO A 14 5.023 16.125 2.968 1.00 1.00 C ATOM 184 CD PRO A 14 5.572 14.724 3.306 1.00 1.00 C ATOM 0 HA PRO A 14 2.686 14.232 1.820 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.545 16.262 0.864 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.178 16.546 1.923 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.833 16.808 2.713 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.502 16.554 3.824 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.449 14.474 2.709 1.00 1.00 H new ATOM 0 HD3 PRO A 14 5.864 14.641 4.353 1.00 1.00 H new ATOM 192 N GLY A 15 5.543 13.610 0.348 1.00 1.00 N ATOM 193 CA GLY A 15 6.157 12.956 -0.890 1.00 1.00 C ATOM 194 C GLY A 15 5.715 11.523 -0.968 1.00 1.00 C ATOM 195 O GLY A 15 6.450 10.639 -1.267 1.00 1.00 O ATOM 0 H GLY A 15 6.225 13.909 1.045 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.850 13.492 -1.788 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.245 13.011 -0.842 1.00 1.00 H new ATOM 199 N GLY A 16 4.524 11.340 -0.659 1.00 1.00 N ATOM 200 CA GLY A 16 3.934 10.054 -0.600 1.00 1.00 C ATOM 201 C GLY A 16 3.694 9.843 0.820 1.00 1.00 C ATOM 202 O GLY A 16 3.504 10.811 1.521 1.00 1.00 O ATOM 0 H GLY A 16 3.883 12.098 -0.425 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.007 10.013 -1.172 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.596 9.292 -1.011 1.00 1.00 H new ATOM 206 N PRO A 17 3.687 8.655 1.340 1.00 1.00 N ATOM 207 CA PRO A 17 3.446 8.464 2.801 1.00 1.00 C ATOM 208 C PRO A 17 4.681 8.676 3.485 1.00 1.00 C ATOM 209 O PRO A 17 5.511 9.411 2.985 1.00 1.00 O ATOM 210 CB PRO A 17 3.070 6.969 2.814 1.00 1.00 C ATOM 211 CG PRO A 17 2.886 6.599 1.417 1.00 1.00 C ATOM 212 CD PRO A 17 3.858 7.425 0.709 1.00 1.00 C ATOM 0 HA PRO A 17 2.708 9.118 3.264 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.855 6.371 3.278 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.159 6.799 3.388 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.071 5.537 1.257 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.869 6.800 1.080 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.874 7.046 0.817 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.650 7.479 -0.360 1.00 1.00 H new ATOM 220 N ASN A 18 4.903 7.924 4.703 1.00 1.00 N ATOM 221 CA ASN A 18 6.188 7.975 5.395 1.00 1.00 C ATOM 222 C ASN A 18 7.276 8.010 4.328 1.00 1.00 C ATOM 223 O ASN A 18 8.454 8.110 4.634 1.00 1.00 O ATOM 224 CB ASN A 18 6.393 6.654 6.297 1.00 1.00 C ATOM 225 CG ASN A 18 5.094 5.846 6.373 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.061 6.383 6.634 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.114 4.573 6.145 1.00 1.00 N ATOM 0 H ASN A 18 4.203 7.328 5.146 1.00 1.00 H new ATOM 0 HA ASN A 18 6.229 8.851 6.043 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.187 6.038 5.874 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.710 6.938 7.300 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.250 4.033 6.189 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.994 4.109 5.921 1.00 1.00 H new ATOM 234 N ARG A 19 6.783 7.838 3.021 1.00 1.00 N ATOM 235 CA ARG A 19 7.526 7.776 1.883 1.00 1.00 C ATOM 236 C ARG A 19 7.874 6.507 1.826 1.00 1.00 C ATOM 237 O ARG A 19 8.881 6.149 2.376 1.00 1.00 O ATOM 238 CB ARG A 19 8.698 8.793 1.880 1.00 1.00 C ATOM 239 CG ARG A 19 8.194 10.135 1.260 1.00 1.00 C ATOM 240 CD ARG A 19 8.757 10.249 -0.138 1.00 1.00 C ATOM 241 NE ARG A 19 10.206 10.508 -0.093 1.00 1.00 N ATOM 242 CZ ARG A 19 10.832 11.134 -1.102 1.00 1.00 C ATOM 243 NH1 ARG A 19 10.156 11.495 -2.170 1.00 1.00 N ATOM 244 NH2 ARG A 19 12.110 11.381 -1.025 1.00 1.00 N ATOM 0 H ARG A 19 5.784 7.744 2.835 1.00 1.00 H new ATOM 0 HA ARG A 19 6.988 8.074 0.983 1.00 1.00 H new ATOM 0 HB2 ARG A 19 9.058 8.958 2.896 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.536 8.402 1.304 1.00 1.00 H new ATOM 0 HG2 ARG A 19 7.105 10.156 1.234 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.515 10.980 1.869 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.563 9.329 -0.690 1.00 1.00 H new ATOM 0 HD3 ARG A 19 8.254 11.054 -0.674 1.00 1.00 H new ATOM 0 HE ARG A 19 10.744 10.206 0.720 1.00 1.00 H new ATOM 0 HH11 ARG A 19 9.157 11.299 -2.231 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.631 11.971 -2.937 1.00 1.00 H new ATOM 0 HH21 ARG A 19 12.635 11.098 -0.197 1.00 1.00 H new ATOM 0 HH22 ARG A 19 12.585 11.857 -1.792 1.00 1.00 H new ATOM 258 N CYS A 20 6.871 5.606 1.066 1.00 1.00 N ATOM 259 CA CYS A 20 7.065 4.097 0.899 1.00 1.00 C ATOM 260 C CYS A 20 8.484 4.025 1.402 1.00 1.00 C ATOM 261 O CYS A 20 9.345 4.712 0.851 1.00 1.00 O ATOM 262 CB CYS A 20 6.812 3.738 -0.634 1.00 1.00 C ATOM 263 SG CYS A 20 6.818 1.854 -1.093 1.00 1.00 S ATOM 0 H CYS A 20 6.020 5.961 0.630 1.00 1.00 H new ATOM 0 HA CYS A 20 6.414 3.390 1.413 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.850 4.158 -0.929 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.574 4.237 -1.232 1.00 1.00 H new ATOM 268 N SER A 21 8.730 3.349 2.430 1.00 1.00 N ATOM 269 CA SER A 21 10.128 3.418 3.057 1.00 1.00 C ATOM 270 C SER A 21 10.770 2.078 3.543 1.00 1.00 C ATOM 271 O SER A 21 11.839 2.104 4.159 1.00 1.00 O ATOM 272 CB SER A 21 9.967 4.391 4.259 1.00 1.00 C ATOM 273 OG SER A 21 10.752 3.938 5.365 1.00 1.00 O ATOM 0 H SER A 21 8.065 2.737 2.904 1.00 1.00 H new ATOM 0 HA SER A 21 10.823 3.736 2.280 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.278 5.395 3.969 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.918 4.454 4.549 1.00 1.00 H new ATOM 0 HG SER A 21 11.612 3.600 5.039 1.00 1.00 H new ATOM 279 N ASN A 22 10.167 0.963 3.258 1.00 1.00 N ATOM 280 CA ASN A 22 10.735 -0.323 3.658 1.00 1.00 C ATOM 281 C ASN A 22 10.145 -1.348 2.824 1.00 1.00 C ATOM 282 O ASN A 22 9.047 -1.169 2.330 1.00 1.00 O ATOM 283 CB ASN A 22 10.426 -0.572 5.146 1.00 1.00 C ATOM 284 CG ASN A 22 11.499 -1.446 5.811 1.00 1.00 C ATOM 285 OD1 ASN A 22 11.182 -2.272 6.665 1.00 1.00 O ATOM 286 ND2 ASN A 22 12.750 -1.295 5.483 1.00 1.00 N ATOM 0 H ASN A 22 9.284 0.900 2.752 1.00 1.00 H new ATOM 0 HA ASN A 22 11.818 -0.334 3.532 1.00 1.00 H new ATOM 0 HB2 ASN A 22 10.359 0.382 5.668 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.454 -1.055 5.240 1.00 1.00 H new ATOM 0 HD21 ASN A 22 13.468 -1.862 5.934 1.00 1.00 H new ATOM 0 HD22 ASN A 22 13.012 -0.610 4.775 1.00 1.00 H new ATOM 293 N ASN A 23 10.817 -2.454 2.623 1.00 1.00 N ATOM 294 CA ASN A 23 10.241 -3.442 1.797 1.00 1.00 C ATOM 295 C ASN A 23 9.882 -2.771 0.433 1.00 1.00 C ATOM 296 O ASN A 23 8.795 -2.302 0.234 1.00 1.00 O ATOM 297 CB ASN A 23 8.998 -4.062 2.566 1.00 1.00 C ATOM 298 CG ASN A 23 8.811 -3.411 3.973 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.734 -3.059 4.358 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.839 -3.265 4.730 1.00 1.00 N ATOM 0 H ASN A 23 11.733 -2.674 3.013 1.00 1.00 H new ATOM 0 HA ASN A 23 10.917 -4.269 1.577 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.094 -3.917 1.974 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.137 -5.137 2.677 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.736 -2.850 5.656 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.758 -3.564 4.405 1.00 1.00 H new ATOM 307 N LYS A 24 10.896 -2.656 -0.410 1.00 1.00 N ATOM 308 CA LYS A 24 10.771 -1.917 -1.707 1.00 1.00 C ATOM 309 C LYS A 24 10.032 -0.625 -1.419 1.00 1.00 C ATOM 310 O LYS A 24 9.368 -0.072 -2.278 1.00 1.00 O ATOM 311 CB LYS A 24 10.041 -2.710 -2.790 1.00 1.00 C ATOM 312 CG LYS A 24 10.990 -3.644 -3.538 1.00 1.00 C ATOM 313 CD LYS A 24 10.136 -4.774 -4.245 1.00 1.00 C ATOM 314 CE LYS A 24 10.846 -5.295 -5.512 1.00 1.00 C ATOM 315 NZ LYS A 24 10.510 -4.412 -6.675 1.00 1.00 N ATOM 0 H LYS A 24 11.820 -3.054 -0.243 1.00 1.00 H new ATOM 0 HA LYS A 24 11.771 -1.735 -2.101 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.238 -3.292 -2.337 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.576 -2.021 -3.495 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.565 -3.086 -4.277 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.706 -4.088 -2.847 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.972 -5.598 -3.551 1.00 1.00 H new ATOM 0 HD3 LYS A 24 9.155 -4.381 -4.510 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.925 -5.313 -5.356 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.537 -6.320 -5.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.989 -4.764 -7.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.481 -4.417 -6.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.826 -3.441 -6.476 1.00 1.00 H new ATOM 329 N GLN A 25 10.185 -0.195 -0.130 1.00 1.00 N ATOM 330 CA GLN A 25 9.605 0.991 0.403 1.00 1.00 C ATOM 331 C GLN A 25 8.211 0.790 0.889 1.00 1.00 C ATOM 332 O GLN A 25 7.695 1.636 1.499 1.00 1.00 O ATOM 333 CB GLN A 25 9.724 2.178 -0.622 1.00 1.00 C ATOM 334 CG GLN A 25 11.106 2.876 -0.483 1.00 1.00 C ATOM 335 CD GLN A 25 12.066 2.428 -1.600 1.00 1.00 C ATOM 336 OE1 GLN A 25 13.010 1.694 -1.341 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.869 2.840 -2.838 1.00 1.00 N ATOM 0 H GLN A 25 10.740 -0.709 0.555 1.00 1.00 H new ATOM 0 HA GLN A 25 10.178 1.261 1.290 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.599 1.804 -1.638 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.926 2.899 -0.447 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.977 3.958 -0.522 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.539 2.642 0.489 1.00 1.00 H new ATOM 0 HE21 GLN A 25 11.082 3.452 -3.053 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.504 2.547 -3.580 1.00 1.00 H new ATOM 346 N CYS A 26 7.571 -0.318 0.632 1.00 1.00 N ATOM 347 CA CYS A 26 6.145 -0.452 1.147 1.00 1.00 C ATOM 348 C CYS A 26 6.027 -1.455 2.377 1.00 1.00 C ATOM 349 O CYS A 26 6.825 -1.366 3.262 1.00 1.00 O ATOM 350 CB CYS A 26 5.196 -0.683 -0.100 1.00 1.00 C ATOM 351 SG CYS A 26 4.926 1.051 -0.907 1.00 1.00 S ATOM 0 H CYS A 26 7.939 -1.115 0.112 1.00 1.00 H new ATOM 0 HA CYS A 26 5.793 0.466 1.618 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.649 -1.376 -0.810 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.246 -1.119 0.210 1.00 1.00 H new ATOM 356 N ASP A 27 5.060 -2.360 2.349 1.00 1.00 N ATOM 357 CA ASP A 27 4.806 -3.331 3.304 1.00 1.00 C ATOM 358 C ASP A 27 3.552 -3.908 2.961 1.00 1.00 C ATOM 359 O ASP A 27 2.624 -3.225 2.524 1.00 1.00 O ATOM 360 CB ASP A 27 4.936 -2.880 4.769 1.00 1.00 C ATOM 361 CG ASP A 27 5.668 -3.939 5.626 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.416 -5.108 5.437 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.472 -3.543 6.457 1.00 1.00 O ATOM 0 H ASP A 27 4.398 -2.404 1.574 1.00 1.00 H new ATOM 0 HA ASP A 27 5.593 -4.085 3.276 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.479 -1.936 4.813 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.945 -2.697 5.184 1.00 1.00 H new ATOM 368 N GLY A 28 3.521 -5.207 3.037 1.00 1.00 N ATOM 369 CA GLY A 28 2.437 -5.959 2.632 1.00 1.00 C ATOM 370 C GLY A 28 2.900 -7.296 1.840 1.00 1.00 C ATOM 371 O GLY A 28 2.163 -7.836 1.157 1.00 1.00 O ATOM 0 H GLY A 28 4.294 -5.764 3.401 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.842 -6.238 3.502 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.796 -5.357 1.987 1.00 1.00 H new ATOM 375 N ALA A 29 4.132 -7.759 2.076 1.00 1.00 N ATOM 376 CA ALA A 29 4.682 -9.017 1.489 1.00 1.00 C ATOM 377 C ALA A 29 6.080 -8.877 1.033 1.00 1.00 C ATOM 378 O ALA A 29 6.792 -9.875 0.971 1.00 1.00 O ATOM 379 CB ALA A 29 3.747 -9.659 0.358 1.00 1.00 C ATOM 0 H ALA A 29 4.794 -7.277 2.684 1.00 1.00 H new ATOM 0 HA ALA A 29 4.690 -9.729 2.314 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.210 -10.570 -0.023 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.772 -9.898 0.784 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.622 -8.947 -0.458 1.00 1.00 H new ATOM 385 N ARG A 30 6.527 -7.659 0.630 1.00 1.00 N ATOM 386 CA ARG A 30 7.957 -7.590 0.105 1.00 1.00 C ATOM 387 C ARG A 30 8.955 -8.406 1.067 1.00 1.00 C ATOM 388 O ARG A 30 8.597 -8.943 2.110 1.00 1.00 O ATOM 389 CB ARG A 30 8.542 -6.052 -0.357 1.00 1.00 C ATOM 390 CG ARG A 30 7.551 -5.435 -1.255 1.00 1.00 C ATOM 391 CD ARG A 30 6.612 -4.336 -0.609 1.00 1.00 C ATOM 392 NE ARG A 30 7.001 -3.077 -1.150 1.00 1.00 N ATOM 393 CZ ARG A 30 6.798 -2.826 -2.442 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.230 -3.749 -3.183 1.00 1.00 N ATOM 395 NH2 ARG A 30 7.168 -1.693 -2.958 1.00 1.00 N ATOM 0 H ARG A 30 6.001 -6.785 0.644 1.00 1.00 H new ATOM 0 HA ARG A 30 7.921 -8.090 -0.863 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.701 -5.426 0.521 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.504 -6.146 -0.860 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.082 -4.983 -2.092 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.922 -6.225 -1.666 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.566 -4.544 -0.833 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.711 -4.335 0.476 1.00 1.00 H new ATOM 0 HE ARG A 30 7.432 -2.372 -0.552 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.953 -4.638 -2.767 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.065 -3.577 -4.175 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.617 -0.989 -2.373 1.00 1.00 H new ATOM 0 HH22 ARG A 30 7.009 -1.508 -3.948 1.00 1.00 H new ATOM 409 N THR A 31 10.047 -8.513 0.561 1.00 1.00 N ATOM 410 CA THR A 31 11.109 -9.220 0.997 1.00 1.00 C ATOM 411 C THR A 31 12.294 -8.519 0.814 1.00 1.00 C ATOM 412 O THR A 31 12.414 -7.991 -0.129 1.00 1.00 O ATOM 413 CB THR A 31 11.148 -10.408 -0.072 1.00 1.00 C ATOM 414 OG1 THR A 31 11.560 -10.003 -1.316 1.00 1.00 O ATOM 415 CG2 THR A 31 9.737 -10.992 -0.179 1.00 1.00 C ATOM 0 H THR A 31 10.260 -8.031 -0.312 1.00 1.00 H new ATOM 0 HA THR A 31 11.025 -9.488 2.050 1.00 1.00 H new ATOM 0 HB THR A 31 11.873 -11.145 0.274 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.891 -10.776 -1.819 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.734 -11.807 -0.903 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.425 -11.371 0.794 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.045 -10.215 -0.504 1.00 1.00 H new ATOM 423 N CYS A 32 13.190 -8.432 1.707 1.00 1.00 N ATOM 424 CA CYS A 32 14.457 -7.541 1.351 1.00 1.00 C ATOM 425 C CYS A 32 15.415 -8.268 0.520 1.00 1.00 C ATOM 426 O CYS A 32 15.171 -9.369 0.038 1.00 1.00 O ATOM 427 CB CYS A 32 15.128 -6.764 2.642 1.00 1.00 C ATOM 428 SG CYS A 32 16.435 -5.603 2.157 1.00 1.00 S ATOM 0 H CYS A 32 13.179 -8.874 2.626 1.00 1.00 H new ATOM 0 HA CYS A 32 14.086 -6.720 0.738 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.349 -6.224 3.181 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.540 -7.501 3.331 1.00 1.00 H new ATOM 433 N SER A 33 16.473 -7.671 0.397 1.00 1.00 N ATOM 434 CA SER A 33 17.607 -8.278 -0.405 1.00 1.00 C ATOM 435 C SER A 33 18.310 -9.205 0.426 1.00 1.00 C ATOM 436 O SER A 33 19.252 -9.894 0.021 1.00 1.00 O ATOM 437 CB SER A 33 18.446 -7.301 -1.031 1.00 1.00 C ATOM 438 OG SER A 33 19.610 -7.937 -1.575 1.00 1.00 O ATOM 0 H SER A 33 16.673 -6.757 0.804 1.00 1.00 H new ATOM 0 HA SER A 33 17.192 -8.825 -1.252 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.897 -6.790 -1.822 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.740 -6.543 -0.306 1.00 1.00 H new ATOM 0 HG SER A 33 19.544 -8.906 -1.445 1.00 1.00 H new ATOM 444 N SER A 34 17.792 -9.302 1.507 1.00 1.00 N ATOM 445 CA SER A 34 18.106 -10.154 2.510 1.00 1.00 C ATOM 446 C SER A 34 16.676 -10.903 2.909 1.00 1.00 C ATOM 447 O SER A 34 16.607 -11.596 3.928 1.00 1.00 O ATOM 448 CB SER A 34 18.652 -9.357 3.654 1.00 1.00 C ATOM 449 OG SER A 34 19.105 -10.231 4.684 1.00 1.00 O ATOM 0 H SER A 34 17.013 -8.697 1.765 1.00 1.00 H new ATOM 0 HA SER A 34 18.860 -10.892 2.238 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.474 -8.729 3.311 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.883 -8.690 4.044 1.00 1.00 H new ATOM 0 HG SER A 34 18.456 -10.955 4.808 1.00 1.00 H new ATOM 455 N SER A 35 15.507 -10.722 1.973 1.00 1.00 N ATOM 456 CA SER A 35 14.266 -11.308 2.158 1.00 1.00 C ATOM 457 C SER A 35 13.590 -10.715 3.244 1.00 1.00 C ATOM 458 O SER A 35 12.408 -10.976 3.492 1.00 1.00 O ATOM 459 CB SER A 35 14.377 -12.734 2.363 1.00 1.00 C ATOM 460 OG SER A 35 15.202 -13.301 1.357 1.00 1.00 O ATOM 0 H SER A 35 15.559 -10.147 1.132 1.00 1.00 H new ATOM 0 HA SER A 35 13.689 -11.141 1.248 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.797 -12.938 3.348 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.388 -13.193 2.337 1.00 1.00 H new ATOM 0 HG SER A 35 15.276 -14.268 1.501 1.00 1.00 H new ATOM 466 N GLY A 36 14.305 -9.906 3.923 1.00 1.00 N ATOM 467 CA GLY A 36 13.778 -9.246 5.018 1.00 1.00 C ATOM 468 C GLY A 36 12.507 -8.628 4.616 1.00 1.00 C ATOM 469 O GLY A 36 11.438 -9.119 4.942 1.00 1.00 O ATOM 0 H GLY A 36 15.281 -9.690 3.721 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.618 -9.943 5.841 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.474 -8.486 5.375 1.00 1.00 H new ATOM 473 N PHE A 37 12.603 -7.580 3.907 1.00 1.00 N ATOM 474 CA PHE A 37 11.538 -6.927 3.493 1.00 1.00 C ATOM 475 C PHE A 37 12.005 -5.742 2.765 1.00 1.00 C ATOM 476 O PHE A 37 12.010 -4.685 3.338 1.00 1.00 O ATOM 477 CB PHE A 37 10.638 -6.477 4.773 1.00 1.00 C ATOM 478 CG PHE A 37 11.537 -6.143 5.995 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.147 -4.844 6.135 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.764 -7.107 6.974 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.948 -4.576 7.228 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.578 -6.817 8.064 1.00 1.00 C ATOM 483 CZ PHE A 37 13.170 -5.556 8.190 1.00 1.00 C ATOM 0 H PHE A 37 13.490 -7.172 3.610 1.00 1.00 H new ATOM 0 HA PHE A 37 10.924 -7.555 2.847 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.036 -5.607 4.511 1.00 1.00 H new ATOM 0 HB3 PHE A 37 9.945 -7.277 5.034 1.00 1.00 H new ATOM 0 HD1 PHE A 37 11.978 -4.083 5.388 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.307 -8.082 6.887 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.403 -3.603 7.336 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.754 -7.570 8.818 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.803 -5.342 9.039 1.00 1.00 H new ATOM 493 N CYS A 38 12.472 -5.845 1.351 1.00 1.00 N ATOM 494 CA CYS A 38 12.918 -4.685 0.603 1.00 1.00 C ATOM 495 C CYS A 38 13.101 -5.012 -0.804 1.00 1.00 C ATOM 496 O CYS A 38 13.802 -4.344 -1.560 1.00 1.00 O ATOM 497 CB CYS A 38 14.145 -4.010 1.216 1.00 1.00 C ATOM 498 SG CYS A 38 15.666 -4.720 0.573 1.00 1.00 S ATOM 0 H CYS A 38 12.508 -6.720 0.828 1.00 1.00 H new ATOM 0 HA CYS A 38 12.125 -3.940 0.666 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.120 -2.941 1.002 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.120 -4.119 2.300 1.00 1.00 H new ATOM 503 N GLN A 39 12.504 -6.058 -1.115 1.00 1.00 N ATOM 504 CA GLN A 39 12.522 -6.663 -2.387 1.00 1.00 C ATOM 505 C GLN A 39 11.336 -7.607 -2.477 1.00 1.00 C ATOM 506 O GLN A 39 10.876 -8.060 -1.538 1.00 1.00 O ATOM 507 CB GLN A 39 13.938 -7.357 -2.520 1.00 1.00 C ATOM 508 CG GLN A 39 13.917 -8.838 -2.382 1.00 1.00 C ATOM 509 CD GLN A 39 13.155 -9.473 -3.562 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.791 -10.643 -3.510 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.894 -8.743 -4.638 1.00 1.00 N ATOM 0 H GLN A 39 11.935 -6.574 -0.444 1.00 1.00 H new ATOM 0 HA GLN A 39 12.411 -5.970 -3.221 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.363 -7.102 -3.491 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.603 -6.944 -1.762 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.937 -9.222 -2.350 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.442 -9.116 -1.441 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.197 -7.770 -4.680 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.390 -9.155 -5.424 1.00 1.00 H new ATOM 520 N GLY A 40 10.806 -7.811 -3.668 1.00 1.00 N ATOM 521 CA GLY A 40 9.614 -8.701 -3.815 1.00 1.00 C ATOM 522 C GLY A 40 8.287 -7.989 -4.206 1.00 1.00 C ATOM 523 O GLY A 40 8.118 -7.560 -5.341 1.00 1.00 O ATOM 0 H GLY A 40 11.150 -7.399 -4.536 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.837 -9.455 -4.570 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.459 -9.229 -2.874 1.00 1.00 H new ATOM 527 N THR A 41 7.297 -7.967 -3.245 1.00 1.00 N ATOM 528 CA THR A 41 5.910 -7.386 -3.560 1.00 1.00 C ATOM 529 C THR A 41 5.073 -6.816 -2.242 1.00 1.00 C ATOM 530 O THR A 41 5.098 -7.423 -1.202 1.00 1.00 O ATOM 531 CB THR A 41 5.112 -8.555 -4.204 1.00 1.00 C ATOM 532 OG1 THR A 41 4.408 -8.071 -5.352 1.00 1.00 O ATOM 533 CG2 THR A 41 4.126 -9.169 -3.224 1.00 1.00 C ATOM 0 H THR A 41 7.408 -8.320 -2.294 1.00 1.00 H new ATOM 0 HA THR A 41 6.036 -6.516 -4.205 1.00 1.00 H new ATOM 0 HB THR A 41 5.821 -9.330 -4.494 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.905 -8.806 -5.761 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.588 -9.982 -3.711 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.666 -9.557 -2.360 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.417 -8.409 -2.897 1.00 1.00 H new ATOM 541 N SER A 42 4.329 -5.738 -2.401 1.00 1.00 N ATOM 542 CA SER A 42 3.462 -5.213 -1.253 1.00 1.00 C ATOM 543 C SER A 42 2.128 -5.689 -1.441 1.00 1.00 C ATOM 544 O SER A 42 1.287 -4.965 -1.963 1.00 1.00 O ATOM 545 CB SER A 42 3.476 -3.583 -1.158 1.00 1.00 C ATOM 546 OG SER A 42 4.220 -3.046 -2.239 1.00 1.00 O ATOM 0 H SER A 42 4.276 -5.195 -3.263 1.00 1.00 H new ATOM 0 HA SER A 42 3.872 -5.581 -0.313 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.456 -3.199 -1.180 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.914 -3.268 -0.211 1.00 1.00 H new ATOM 0 HG SER A 42 4.094 -2.075 -2.273 1.00 1.00 H new ATOM 552 N ARG A 43 1.850 -6.969 -1.044 1.00 1.00 N ATOM 553 CA ARG A 43 0.517 -7.566 -1.214 1.00 1.00 C ATOM 554 C ARG A 43 -0.255 -6.982 -2.255 1.00 1.00 C ATOM 555 O ARG A 43 -1.217 -6.311 -1.992 1.00 1.00 O ATOM 556 CB ARG A 43 -0.273 -7.590 0.100 1.00 1.00 C ATOM 557 CG ARG A 43 -0.354 -6.105 0.807 1.00 1.00 C ATOM 558 CD ARG A 43 -1.783 -5.407 0.432 1.00 1.00 C ATOM 559 NE ARG A 43 -2.277 -4.675 1.589 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.544 -3.717 2.153 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.386 -3.402 1.648 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.985 -3.088 3.199 1.00 1.00 N ATOM 0 H ARG A 43 2.534 -7.589 -0.610 1.00 1.00 H new ATOM 0 HA ARG A 43 0.712 -8.593 -1.522 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.282 -7.954 -0.092 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.194 -8.293 0.789 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.254 -6.198 1.888 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.470 -5.480 0.463 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.660 -4.732 -0.415 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.505 -6.167 0.132 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.195 -4.898 1.972 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.041 -3.889 0.821 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.176 -2.668 2.079 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.896 -3.327 3.592 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.421 -2.355 3.629 1.00 1.00 H new ATOM 576 N LYS A 44 0.095 -7.341 -3.530 1.00 1.00 N ATOM 577 CA LYS A 44 -0.693 -6.901 -4.656 1.00 1.00 C ATOM 578 C LYS A 44 -2.016 -7.111 -4.324 1.00 1.00 C ATOM 579 O LYS A 44 -2.411 -8.191 -4.342 1.00 1.00 O ATOM 580 CB LYS A 44 -0.373 -7.700 -5.923 1.00 1.00 C ATOM 581 CG LYS A 44 -1.358 -7.242 -7.049 1.00 1.00 C ATOM 582 CD LYS A 44 -0.881 -7.762 -8.429 1.00 1.00 C ATOM 583 CE LYS A 44 -2.067 -7.764 -9.424 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.660 -8.443 -10.693 1.00 1.00 N ATOM 0 H LYS A 44 0.901 -7.919 -3.768 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.475 -5.853 -4.863 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.659 -7.531 -6.229 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.479 -8.769 -5.736 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.360 -7.616 -6.839 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.421 -6.154 -7.065 1.00 1.00 H new ATOM 0 HD2 LYS A 44 -0.077 -7.131 -8.808 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.476 -8.769 -8.329 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.922 -8.277 -8.984 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -2.381 -6.741 -9.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.459 -8.442 -11.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.857 -7.936 -11.116 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.381 -9.424 -10.488 1.00 1.00 H new ATOM 598 N PRO A 45 -2.813 -6.054 -3.970 1.00 1.00 N ATOM 599 CA PRO A 45 -4.216 -6.250 -3.653 1.00 1.00 C ATOM 600 C PRO A 45 -4.777 -6.957 -4.796 1.00 1.00 C ATOM 601 O PRO A 45 -5.526 -6.420 -5.615 1.00 1.00 O ATOM 602 CB PRO A 45 -4.734 -4.850 -3.484 1.00 1.00 C ATOM 603 CG PRO A 45 -3.552 -4.117 -3.028 1.00 1.00 C ATOM 604 CD PRO A 45 -2.446 -4.656 -3.836 1.00 1.00 C ATOM 0 HA PRO A 45 -4.453 -6.832 -2.762 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.123 -4.448 -4.419 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.544 -4.804 -2.756 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.668 -3.044 -3.180 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.377 -4.271 -1.963 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.371 -4.161 -4.804 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.483 -4.534 -3.340 1.00 1.00 H new ATOM 612 N ASP A 46 -4.281 -8.172 -4.917 1.00 1.00 N ATOM 613 CA ASP A 46 -4.581 -8.997 -6.032 1.00 1.00 C ATOM 614 C ASP A 46 -5.980 -9.689 -5.861 1.00 1.00 C ATOM 615 O ASP A 46 -6.577 -9.610 -4.787 1.00 1.00 O ATOM 616 CB ASP A 46 -3.388 -10.122 -6.312 1.00 1.00 C ATOM 617 CG ASP A 46 -3.898 -11.560 -6.103 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.594 -11.787 -5.136 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.575 -12.404 -6.926 1.00 1.00 O ATOM 0 H ASP A 46 -3.658 -8.601 -4.233 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.626 -8.351 -6.908 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.017 -10.012 -7.331 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.547 -9.934 -5.645 1.00 1.00 H new ATOM 624 N PRO A 47 -6.502 -10.385 -6.907 1.00 1.00 N ATOM 625 CA PRO A 47 -7.828 -11.094 -6.816 1.00 1.00 C ATOM 626 C PRO A 47 -7.757 -12.364 -5.908 1.00 1.00 C ATOM 627 O PRO A 47 -8.075 -13.476 -6.338 1.00 1.00 O ATOM 628 CB PRO A 47 -8.166 -11.465 -8.308 1.00 1.00 C ATOM 629 CG PRO A 47 -7.121 -10.752 -9.148 1.00 1.00 C ATOM 630 CD PRO A 47 -5.904 -10.553 -8.243 1.00 1.00 C ATOM 0 HA PRO A 47 -8.595 -10.471 -6.355 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.126 -12.543 -8.463 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.172 -11.142 -8.575 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.860 -11.342 -10.026 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.498 -9.795 -9.508 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.232 -11.410 -8.278 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.322 -9.679 -8.537 1.00 1.00 H new ATOM 638 N GLY A 48 -7.373 -12.157 -4.657 1.00 1.00 N ATOM 639 CA GLY A 48 -7.287 -13.243 -3.668 1.00 1.00 C ATOM 640 C GLY A 48 -7.801 -12.697 -2.388 1.00 1.00 C ATOM 641 O GLY A 48 -8.967 -12.898 -2.042 1.00 1.00 O ATOM 0 H GLY A 48 -7.112 -11.241 -4.292 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.876 -14.103 -3.986 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.258 -13.585 -3.557 1.00 1.00 H new ATOM 645 N PRO A 49 -6.997 -11.915 -1.700 1.00 1.00 N ATOM 646 CA PRO A 49 -7.439 -11.260 -0.514 1.00 1.00 C ATOM 647 C PRO A 49 -8.710 -10.495 -0.822 1.00 1.00 C ATOM 648 O PRO A 49 -9.807 -10.963 -0.505 1.00 1.00 O ATOM 649 CB PRO A 49 -6.249 -10.293 -0.108 1.00 1.00 C ATOM 650 CG PRO A 49 -5.228 -10.397 -1.198 1.00 1.00 C ATOM 651 CD PRO A 49 -5.596 -11.621 -2.026 1.00 1.00 C ATOM 0 HA PRO A 49 -7.671 -11.945 0.301 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.601 -9.267 -0.003 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.823 -10.584 0.852 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.227 -9.498 -1.815 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.226 -10.498 -0.781 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.475 -11.424 -3.091 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.952 -12.466 -1.783 1.00 1.00 H new ATOM 659 N LYS A 50 -8.554 -9.304 -1.426 1.00 1.00 N ATOM 660 CA LYS A 50 -9.685 -8.400 -1.779 1.00 1.00 C ATOM 661 C LYS A 50 -10.286 -7.797 -0.533 1.00 1.00 C ATOM 662 O LYS A 50 -11.509 -7.780 -0.393 1.00 1.00 O ATOM 663 CB LYS A 50 -10.833 -9.285 -2.569 1.00 1.00 C ATOM 664 CG LYS A 50 -10.887 -8.873 -4.168 1.00 1.00 C ATOM 665 CD LYS A 50 -11.799 -7.542 -4.406 1.00 1.00 C ATOM 666 CE LYS A 50 -11.234 -6.315 -3.607 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.823 -6.067 -4.008 1.00 1.00 N ATOM 0 H LYS A 50 -7.641 -8.932 -1.688 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.321 -7.592 -2.414 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.613 -10.348 -2.469 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.808 -9.117 -2.112 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.876 -8.694 -4.534 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.293 -9.703 -4.746 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.829 -7.304 -5.469 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.825 -7.741 -4.095 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.840 -5.430 -3.803 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.290 -6.508 -2.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.417 -5.321 -3.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.271 -6.941 -3.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.793 -5.765 -5.003 1.00 1.00 H new ATOM 681 N GLY A 51 -9.467 -7.360 0.457 1.00 1.00 N ATOM 682 CA GLY A 51 -9.963 -6.922 1.577 1.00 1.00 C ATOM 683 C GLY A 51 -9.008 -7.288 2.540 1.00 1.00 C ATOM 684 O GLY A 51 -8.352 -6.495 2.984 1.00 1.00 O ATOM 0 H GLY A 51 -8.449 -7.343 0.401 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.111 -5.842 1.552 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.933 -7.372 1.786 1.00 1.00 H new ATOM 688 N PRO A 52 -8.884 -8.584 2.846 1.00 1.00 N ATOM 689 CA PRO A 52 -7.853 -9.117 3.806 1.00 1.00 C ATOM 690 C PRO A 52 -6.455 -8.407 3.679 1.00 1.00 C ATOM 691 O PRO A 52 -5.479 -8.962 3.948 1.00 1.00 O ATOM 692 CB PRO A 52 -7.735 -10.576 3.420 1.00 1.00 C ATOM 693 CG PRO A 52 -9.096 -10.955 2.902 1.00 1.00 C ATOM 694 CD PRO A 52 -9.730 -9.651 2.334 1.00 1.00 C ATOM 0 HA PRO A 52 -8.153 -8.948 4.840 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -6.969 -10.722 2.659 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.454 -11.189 4.276 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.018 -11.718 2.128 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.713 -11.371 3.699 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.744 -9.658 1.244 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.762 -9.534 2.666 1.00 1.00 H new ATOM 702 N THR A 53 -6.471 -7.195 3.334 1.00 1.00 N ATOM 703 CA THR A 53 -5.293 -6.371 3.249 1.00 1.00 C ATOM 704 C THR A 53 -5.800 -5.023 3.512 1.00 1.00 C ATOM 705 O THR A 53 -6.981 -4.799 3.353 1.00 1.00 O ATOM 706 CB THR A 53 -4.530 -6.455 1.923 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.553 -5.201 1.275 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.134 -7.518 0.999 1.00 1.00 C ATOM 0 H THR A 53 -7.329 -6.702 3.086 1.00 1.00 H new ATOM 0 HA THR A 53 -4.537 -6.704 3.960 1.00 1.00 H new ATOM 0 HB THR A 53 -3.501 -6.738 2.146 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.390 -5.325 0.317 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.570 -7.553 0.067 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.089 -8.492 1.487 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.173 -7.267 0.785 1.00 1.00 H new ATOM 716 N TYR A 54 -5.036 -4.167 3.917 1.00 1.00 N ATOM 717 CA TYR A 54 -5.573 -2.810 4.268 1.00 1.00 C ATOM 718 C TYR A 54 -4.593 -2.018 5.104 1.00 1.00 C ATOM 719 O TYR A 54 -4.137 -2.506 6.129 1.00 1.00 O ATOM 720 CB TYR A 54 -6.916 -3.014 5.134 1.00 1.00 C ATOM 721 CG TYR A 54 -7.016 -1.981 6.353 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.316 -2.228 7.566 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.794 -0.817 6.235 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.407 -1.310 8.630 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.878 0.092 7.306 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.185 -0.155 8.498 1.00 1.00 C ATOM 727 OH TYR A 54 -7.270 0.744 9.544 1.00 1.00 O ATOM 0 H TYR A 54 -4.031 -4.289 4.045 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.759 -2.263 3.344 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.785 -2.894 4.487 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.945 -4.033 5.521 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.715 -3.119 7.671 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.330 -0.619 5.318 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.875 -1.498 9.551 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.479 0.984 7.208 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.850 1.491 9.287 1.00 1.00 H new ATOM 737 N CYS A 55 -4.252 -0.704 4.670 1.00 1.00 N ATOM 738 CA CYS A 55 -3.270 0.141 5.548 1.00 1.00 C ATOM 739 C CYS A 55 -3.698 1.595 5.939 1.00 1.00 C ATOM 740 O CYS A 55 -3.389 2.107 7.014 1.00 1.00 O ATOM 741 CB CYS A 55 -1.944 0.238 4.875 1.00 1.00 C ATOM 742 SG CYS A 55 -0.694 0.524 6.190 1.00 1.00 S ATOM 0 H CYS A 55 -4.595 -0.251 3.823 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.256 -0.416 6.485 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.723 -0.677 4.325 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.937 1.054 4.152 1.00 1.00 H new ATOM 747 N TRP A 56 -4.371 2.191 5.016 1.00 1.00 N ATOM 748 CA TRP A 56 -4.848 3.465 5.069 1.00 1.00 C ATOM 749 C TRP A 56 -6.397 3.494 5.173 1.00 1.00 C ATOM 750 O TRP A 56 -6.976 2.837 6.045 1.00 1.00 O ATOM 751 CB TRP A 56 -4.455 4.101 3.731 1.00 1.00 C ATOM 752 CG TRP A 56 -4.721 5.571 3.761 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.104 6.222 2.724 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.628 6.579 4.892 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.236 7.497 3.019 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.964 7.776 4.374 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.272 6.538 6.307 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.982 8.960 5.148 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.292 7.714 7.072 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.649 8.918 6.489 1.00 1.00 C ATOM 0 H TRP A 56 -4.604 1.726 4.138 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.445 3.982 5.940 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.399 3.919 3.530 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.018 3.638 2.921 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.290 5.788 1.753 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.506 8.208 2.340 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.993 5.601 6.766 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.257 9.899 4.690 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.028 7.680 8.119 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.667 9.822 7.080 1.00 1.00 H new ATOM 771 N ASP A 57 -7.108 4.222 4.116 1.00 1.00 N ATOM 772 CA ASP A 57 -8.503 4.244 4.005 1.00 1.00 C ATOM 773 C ASP A 57 -8.989 5.496 3.196 1.00 1.00 C ATOM 774 O ASP A 57 -10.173 5.801 3.246 1.00 1.00 O ATOM 775 CB ASP A 57 -9.141 4.248 5.366 1.00 1.00 C ATOM 776 CG ASP A 57 -9.624 2.844 5.777 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.267 1.889 5.102 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.343 2.752 6.764 1.00 1.00 O ATOM 0 H ASP A 57 -6.631 4.760 3.392 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.803 3.344 3.468 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.425 4.616 6.101 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.985 4.938 5.370 1.00 1.00 H new ATOM 783 N GLU A 58 -8.074 6.246 2.493 1.00 1.00 N ATOM 784 CA GLU A 58 -8.501 7.408 1.836 1.00 1.00 C ATOM 785 C GLU A 58 -7.406 8.113 1.273 1.00 1.00 C ATOM 786 O GLU A 58 -6.999 9.068 1.874 1.00 1.00 O ATOM 787 CB GLU A 58 -9.112 8.342 2.952 1.00 1.00 C ATOM 788 CG GLU A 58 -8.116 8.375 4.137 1.00 1.00 C ATOM 789 CD GLU A 58 -8.763 9.055 5.342 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.984 10.253 5.274 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.037 8.364 6.311 1.00 1.00 O ATOM 0 H GLU A 58 -7.082 6.029 2.402 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.202 7.144 1.044 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.276 9.347 2.562 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.081 7.965 3.278 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.816 7.361 4.399 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.212 8.911 3.848 1.00 1.00 H new ATOM 798 N ALA A 59 -6.827 7.803 0.108 1.00 1.00 N ATOM 799 CA ALA A 59 -5.726 8.717 -0.350 1.00 1.00 C ATOM 800 C ALA A 59 -5.834 8.992 -1.918 1.00 1.00 C ATOM 801 O ALA A 59 -4.872 9.312 -2.515 1.00 1.00 O ATOM 802 CB ALA A 59 -4.538 8.027 -0.136 1.00 1.00 C ATOM 0 H ALA A 59 -7.056 7.014 -0.497 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.781 9.666 0.183 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.697 8.644 -0.452 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.439 7.793 0.924 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.546 7.102 -0.712 1.00 1.00 H new ATOM 808 N LYS A 60 -7.015 8.610 -2.582 1.00 1.00 N ATOM 809 CA LYS A 60 -7.054 8.587 -3.963 1.00 1.00 C ATOM 810 C LYS A 60 -6.887 9.835 -4.561 1.00 1.00 C ATOM 811 O LYS A 60 -6.198 10.020 -5.486 1.00 1.00 O ATOM 812 CB LYS A 60 -8.459 7.990 -4.463 1.00 1.00 C ATOM 813 CG LYS A 60 -9.000 7.070 -3.386 1.00 1.00 C ATOM 814 CD LYS A 60 -10.230 6.242 -3.910 1.00 1.00 C ATOM 815 CE LYS A 60 -11.546 7.058 -3.679 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.041 6.792 -2.296 1.00 1.00 N ATOM 0 H LYS A 60 -7.882 8.337 -2.118 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.213 7.962 -4.263 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.164 8.797 -4.662 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.328 7.444 -5.397 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.214 6.390 -3.057 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.297 7.658 -2.518 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.108 6.021 -4.970 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.286 5.286 -3.390 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.358 8.123 -3.814 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.301 6.772 -4.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.916 7.329 -2.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.233 5.776 -2.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.320 7.085 -1.607 1.00 1.00 H new ATOM 872 N PRO A 65 -7.301 13.588 0.031 1.00 1.00 N ATOM 873 CA PRO A 65 -7.009 12.502 0.907 1.00 1.00 C ATOM 874 C PRO A 65 -5.543 12.310 0.998 1.00 1.00 C ATOM 875 O PRO A 65 -4.811 13.115 0.542 1.00 1.00 O ATOM 876 CB PRO A 65 -7.777 11.274 0.281 1.00 1.00 C ATOM 877 CG PRO A 65 -8.790 11.919 -0.484 1.00 1.00 C ATOM 878 CD PRO A 65 -8.066 13.151 -1.045 1.00 1.00 C ATOM 0 HA PRO A 65 -7.332 12.660 1.936 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.126 10.659 -0.340 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.197 10.622 1.047 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.167 11.275 -1.279 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.645 12.199 0.132 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.445 12.896 -1.904 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.769 13.915 -1.376 1.00 1.00 H new ATOM 886 N ASN A 66 -5.135 11.360 1.687 1.00 1.00 N ATOM 887 CA ASN A 66 -3.624 11.211 1.925 1.00 1.00 C ATOM 888 C ASN A 66 -2.849 11.419 0.655 1.00 1.00 C ATOM 889 O ASN A 66 -1.662 11.716 0.681 1.00 1.00 O ATOM 890 CB ASN A 66 -3.241 9.844 2.534 1.00 1.00 C ATOM 891 CG ASN A 66 -2.353 10.032 3.794 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.398 9.221 4.713 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.548 11.079 3.869 1.00 1.00 N ATOM 0 H ASN A 66 -5.724 10.650 2.122 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.363 11.985 2.647 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.143 9.293 2.798 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.708 9.247 1.794 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.962 11.214 4.693 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.513 11.751 3.103 1.00 1.00 H new ATOM 900 N ARG A 67 -3.590 11.269 -0.445 1.00 1.00 N ATOM 901 CA ARG A 67 -3.102 11.454 -1.837 1.00 1.00 C ATOM 902 C ARG A 67 -2.293 10.318 -2.371 1.00 1.00 C ATOM 903 O ARG A 67 -1.204 10.080 -1.953 1.00 1.00 O ATOM 904 CB ARG A 67 -2.287 12.755 -1.932 1.00 1.00 C ATOM 905 CG ARG A 67 -3.235 13.934 -1.934 1.00 1.00 C ATOM 906 CD ARG A 67 -3.572 14.291 -3.338 1.00 1.00 C ATOM 907 NE ARG A 67 -2.463 15.089 -3.952 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.036 16.293 -3.437 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.633 16.837 -2.409 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.031 16.908 -3.992 1.00 1.00 N ATOM 0 H ARG A 67 -4.575 11.008 -0.404 1.00 1.00 H new ATOM 0 HA ARG A 67 -3.996 11.501 -2.459 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.597 12.829 -1.091 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.684 12.756 -2.840 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.142 13.687 -1.382 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.777 14.785 -1.430 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -3.743 13.385 -3.920 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.499 14.865 -3.362 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.004 14.725 -4.787 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.429 16.369 -1.975 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.303 17.729 -2.041 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -0.566 16.498 -4.802 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -0.709 17.800 -3.617 1.00 1.00 H new ATOM 924 N CYS A 68 -2.815 9.752 -3.405 1.00 1.00 N ATOM 925 CA CYS A 68 -2.179 8.739 -4.169 1.00 1.00 C ATOM 926 C CYS A 68 -2.779 8.853 -5.413 1.00 1.00 C ATOM 927 O CYS A 68 -2.300 9.609 -6.264 1.00 1.00 O ATOM 928 CB CYS A 68 -2.280 7.266 -3.508 1.00 1.00 C ATOM 929 SG CYS A 68 -3.927 6.851 -2.870 1.00 1.00 S ATOM 0 H CYS A 68 -3.741 9.996 -3.756 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.098 8.870 -4.225 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.994 6.525 -4.254 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -1.558 7.195 -2.694 1.00 1.00 H new ATOM 934 N SER A 69 -3.798 8.179 -5.585 1.00 1.00 N ATOM 935 CA SER A 69 -4.546 8.227 -6.800 1.00 1.00 C ATOM 936 C SER A 69 -4.024 7.305 -7.792 1.00 1.00 C ATOM 937 O SER A 69 -4.770 6.756 -8.602 1.00 1.00 O ATOM 938 CB SER A 69 -4.552 9.689 -7.448 1.00 1.00 C ATOM 939 OG SER A 69 -3.531 9.774 -8.448 1.00 1.00 O ATOM 0 H SER A 69 -4.181 7.544 -4.884 1.00 1.00 H new ATOM 0 HA SER A 69 -5.562 7.944 -6.526 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.526 9.898 -7.890 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.384 10.441 -6.677 1.00 1.00 H new ATOM 0 HG SER A 69 -2.651 9.795 -8.016 1.00 1.00 H new ATOM 945 N ASN A 70 -2.697 7.208 -7.842 1.00 1.00 N ATOM 946 CA ASN A 70 -2.044 6.425 -8.884 1.00 1.00 C ATOM 947 C ASN A 70 -1.515 5.220 -8.405 1.00 1.00 C ATOM 948 O ASN A 70 -1.683 4.193 -9.040 1.00 1.00 O ATOM 949 CB ASN A 70 -0.941 7.251 -9.502 1.00 1.00 C ATOM 950 CG ASN A 70 -1.522 8.554 -10.047 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.107 9.640 -9.638 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.473 8.510 -10.946 1.00 1.00 N ATOM 0 H ASN A 70 -2.062 7.656 -7.182 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.800 6.169 -9.626 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.173 7.466 -8.758 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.460 6.692 -10.304 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.872 9.376 -11.309 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.815 7.610 -11.283 1.00 1.00 H new ATOM 959 N SER A 71 -0.902 5.262 -7.259 1.00 1.00 N ATOM 960 CA SER A 71 -0.354 4.009 -6.660 1.00 1.00 C ATOM 961 C SER A 71 0.707 4.230 -5.415 1.00 1.00 C ATOM 962 O SER A 71 1.775 3.623 -5.415 1.00 1.00 O ATOM 963 CB SER A 71 0.321 3.178 -7.788 1.00 1.00 C ATOM 964 OG SER A 71 1.397 2.406 -7.275 1.00 1.00 O ATOM 0 H SER A 71 -0.755 6.108 -6.708 1.00 1.00 H new ATOM 0 HA SER A 71 -1.201 3.486 -6.216 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.415 2.521 -8.251 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.687 3.846 -8.568 1.00 1.00 H new ATOM 0 HG SER A 71 1.252 2.237 -6.321 1.00 1.00 H new ATOM 970 N LYS A 72 0.471 5.248 -4.473 1.00 1.00 N ATOM 971 CA LYS A 72 1.582 5.585 -3.457 1.00 1.00 C ATOM 972 C LYS A 72 1.202 6.083 -2.158 1.00 1.00 C ATOM 973 O LYS A 72 1.883 6.912 -1.589 1.00 1.00 O ATOM 974 CB LYS A 72 2.367 6.878 -4.158 1.00 1.00 C ATOM 975 CG LYS A 72 1.407 8.022 -4.458 1.00 1.00 C ATOM 976 CD LYS A 72 2.184 9.377 -4.499 1.00 1.00 C ATOM 977 CE LYS A 72 1.215 10.527 -4.868 1.00 1.00 C ATOM 978 NZ LYS A 72 1.975 11.819 -4.978 1.00 1.00 N ATOM 0 H LYS A 72 -0.385 5.798 -4.396 1.00 1.00 H new ATOM 0 HA LYS A 72 2.113 4.651 -3.272 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.156 7.229 -3.493 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.849 6.555 -5.081 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.910 7.850 -5.413 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.628 8.063 -3.696 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.643 9.573 -3.530 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.992 9.322 -5.229 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.717 10.306 -5.812 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.437 10.616 -4.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.319 12.587 -5.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.430 12.033 -4.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.702 11.732 -5.717 1.00 1.00 H new ATOM 992 N GLN A 73 0.206 5.730 -1.767 1.00 1.00 N ATOM 993 CA GLN A 73 -0.379 6.256 -0.523 1.00 1.00 C ATOM 994 C GLN A 73 -1.816 5.807 -0.441 1.00 1.00 C ATOM 995 O GLN A 73 -2.589 6.533 -0.055 1.00 1.00 O ATOM 996 CB GLN A 73 -0.435 7.943 -0.638 1.00 1.00 C ATOM 997 CG GLN A 73 0.192 8.654 0.548 1.00 1.00 C ATOM 998 CD GLN A 73 -0.274 8.040 1.857 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.151 7.170 1.864 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.243 8.452 2.971 1.00 1.00 N ATOM 0 H GLN A 73 -0.367 5.027 -2.233 1.00 1.00 H new ATOM 0 HA GLN A 73 0.207 5.916 0.331 1.00 1.00 H new ATOM 0 HB2 GLN A 73 0.076 8.254 -1.549 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.474 8.258 -0.732 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.278 8.594 0.480 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -0.071 9.711 0.524 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.967 9.170 2.962 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.074 8.058 3.857 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.136 4.598 -0.741 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.650 4.144 -0.607 1.00 1.00 C ATOM 1011 C CYS A 74 -3.713 3.196 0.562 1.00 1.00 C ATOM 1012 O CYS A 74 -2.982 3.458 1.482 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.068 3.574 -1.992 1.00 1.00 C ATOM 1014 SG CYS A 74 -4.238 4.922 -3.452 1.00 1.00 S ATOM 0 H CYS A 74 -1.488 3.881 -1.067 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.367 4.934 -0.385 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.336 2.825 -2.294 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.023 3.060 -1.882 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.636 2.041 0.646 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.622 1.216 1.997 1.00 1.00 C ATOM 1021 C ASP A 75 -4.086 -0.168 1.764 1.00 1.00 C ATOM 1022 O ASP A 75 -2.893 -0.430 1.916 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.168 1.338 2.584 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.473 0.394 3.671 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.148 0.682 4.798 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -7.064 -0.553 3.393 1.00 1.00 O ATOM 0 H ASP A 75 -5.279 1.724 -0.079 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.942 1.596 2.759 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.330 2.354 2.943 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.870 1.174 1.766 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.925 -0.990 1.375 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.612 -2.340 1.054 1.00 1.00 C ATOM 1033 C GLY A 76 -5.527 -2.759 -0.037 1.00 1.00 C ATOM 1034 O GLY A 76 -5.673 -2.047 -0.953 1.00 1.00 O ATOM 0 H GLY A 76 -5.912 -0.761 1.254 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.572 -2.429 0.739 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.736 -2.981 1.927 1.00 1.00 H new ATOM 1038 N ALA A 77 -6.125 -3.960 0.110 1.00 1.00 N ATOM 1039 CA ALA A 77 -7.071 -4.583 -0.863 1.00 1.00 C ATOM 1040 C ALA A 77 -7.613 -3.645 -1.951 1.00 1.00 C ATOM 1041 O ALA A 77 -8.774 -3.783 -2.334 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.230 -5.050 -0.102 1.00 1.00 C ATOM 0 H ALA A 77 -5.964 -4.546 0.929 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.507 -5.364 -1.373 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.947 -5.513 -0.779 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.908 -5.780 0.640 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.700 -4.205 0.401 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.843 -2.645 -2.388 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.312 -1.678 -3.322 1.00 1.00 C ATOM 1050 C ARG A 78 -6.472 -1.696 -4.489 1.00 1.00 C ATOM 1051 O ARG A 78 -5.403 -2.233 -4.443 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.277 -0.397 -2.676 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.227 -0.448 -1.446 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.441 0.922 -0.959 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.298 1.680 -1.892 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.624 1.633 -1.802 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.185 0.905 -0.879 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.365 2.317 -2.639 1.00 1.00 N ATOM 0 H ARG A 78 -5.878 -2.503 -2.090 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.331 -1.896 -3.642 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.261 -0.157 -2.362 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.591 0.386 -3.367 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.178 -0.904 -1.722 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.794 -1.065 -0.659 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.904 0.894 0.027 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.482 1.427 -0.847 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.865 2.250 -2.619 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.608 0.373 -0.228 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.202 0.867 -0.807 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.925 2.887 -3.361 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.382 2.279 -2.568 1.00 1.00 H new ATOM 1072 N THR A 79 -6.916 -1.113 -5.602 1.00 1.00 N ATOM 1073 CA THR A 79 -6.129 -1.143 -6.738 1.00 1.00 C ATOM 1074 C THR A 79 -6.303 0.018 -7.510 1.00 1.00 C ATOM 1075 O THR A 79 -6.853 -0.040 -8.501 1.00 1.00 O ATOM 1076 CB THR A 79 -6.392 -2.417 -7.523 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.620 -3.492 -6.624 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.176 -2.712 -8.361 1.00 1.00 C ATOM 0 H THR A 79 -7.810 -0.631 -5.698 1.00 1.00 H new ATOM 0 HA THR A 79 -5.080 -1.154 -6.442 1.00 1.00 H new ATOM 0 HB THR A 79 -7.269 -2.294 -8.158 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.791 -4.313 -7.132 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.342 -3.624 -8.934 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.995 -1.882 -9.044 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.310 -2.844 -7.712 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.661 1.152 -6.999 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.601 2.425 -7.675 1.00 1.00 C ATOM 1088 C CYS A 80 -6.182 2.503 -8.972 1.00 1.00 C ATOM 1089 O CYS A 80 -5.634 3.124 -9.887 1.00 1.00 O ATOM 1090 CB CYS A 80 -4.122 2.928 -7.696 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.989 4.531 -6.434 1.00 1.00 S ATOM 0 H CYS A 80 -5.184 1.154 -6.098 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.243 3.079 -7.085 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.444 2.135 -7.379 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.830 3.212 -8.707 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.424 0.532 -5.366 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.459 1.433 -4.403 1.00 1.00 C ATOM 1138 C PHE A 85 -4.901 1.823 -4.293 1.00 1.00 C ATOM 1139 O PHE A 85 -5.513 1.389 -3.426 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.458 2.496 -4.689 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.028 1.982 -4.381 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.312 1.287 -5.366 1.00 1.00 C ATOM 1143 CD2 PHE A 85 -0.451 2.209 -3.127 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.984 0.814 -5.096 1.00 1.00 C ATOM 1145 CE2 PHE A 85 0.845 1.738 -2.855 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.561 1.037 -3.842 1.00 1.00 C ATOM 0 HA PHE A 85 -3.152 1.093 -3.414 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.526 2.798 -5.734 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.672 3.379 -4.087 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -0.757 1.115 -6.335 1.00 1.00 H new ATOM 0 HD2 PHE A 85 -1.001 2.746 -2.368 1.00 1.00 H new ATOM 0 HE1 PHE A 85 1.533 0.279 -5.856 1.00 1.00 H new ATOM 0 HE2 PHE A 85 1.291 1.914 -1.888 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.555 0.671 -3.632 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.436 2.694 -5.116 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.967 3.129 -4.910 1.00 1.00 C ATOM 1158 C CYS A 86 -8.037 2.805 -5.935 1.00 1.00 C ATOM 1159 O CYS A 86 -8.063 3.292 -7.052 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.030 4.550 -4.665 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.994 5.441 -6.111 1.00 1.00 S ATOM 0 H CYS A 86 -4.955 3.135 -5.900 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.235 2.475 -4.080 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.064 4.895 -4.664 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.612 4.791 -3.688 1.00 1.00 H new ATOM 1166 N GLN A 87 -9.061 1.921 -5.397 1.00 1.00 N ATOM 1167 CA GLN A 87 -10.175 1.513 -6.139 1.00 1.00 C ATOM 1168 C GLN A 87 -10.876 0.266 -5.535 1.00 1.00 C ATOM 1169 O GLN A 87 -12.102 0.183 -5.509 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.701 1.242 -7.537 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.530 0.151 -8.219 1.00 1.00 C ATOM 1172 CD GLN A 87 -10.094 -1.260 -7.739 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -9.056 -1.403 -7.125 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.847 -2.299 -7.998 1.00 1.00 N ATOM 0 H GLN A 87 -9.035 1.543 -4.450 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.928 2.301 -6.125 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.756 2.159 -8.123 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.654 0.941 -7.513 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.587 0.303 -8.001 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.414 0.223 -9.300 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.719 -2.181 -8.514 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.562 -3.227 -7.684 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.106 -0.675 -5.142 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.665 -1.943 -4.624 1.00 1.00 C ATOM 1185 C GLY A 88 -11.559 -1.762 -3.425 1.00 1.00 C ATOM 1186 O GLY A 88 -12.635 -1.175 -3.528 1.00 1.00 O ATOM 0 H GLY A 88 -9.087 -0.629 -5.154 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.230 -2.432 -5.417 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.845 -2.610 -4.358 1.00 1.00 H new ATOM 1190 N THR A 89 -11.165 -2.371 -2.293 1.00 1.00 N ATOM 1191 CA THR A 89 -12.000 -2.373 -1.096 1.00 1.00 C ATOM 1192 C THR A 89 -11.307 -2.008 0.189 1.00 1.00 C ATOM 1193 O THR A 89 -11.698 -1.055 0.836 1.00 1.00 O ATOM 1194 CB THR A 89 -12.608 -3.848 -1.000 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.937 -3.827 -1.521 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.650 -4.400 0.485 1.00 1.00 C ATOM 0 H THR A 89 -10.278 -2.863 -2.190 1.00 1.00 H new ATOM 0 HA THR A 89 -12.751 -1.591 -1.204 1.00 1.00 H new ATOM 0 HB THR A 89 -11.960 -4.510 -1.575 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.323 -4.727 -1.470 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.072 -5.405 0.488 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.639 -4.430 0.891 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.268 -3.745 1.099 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.413 -2.852 0.602 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.769 -2.753 1.906 1.00 1.00 C ATOM 1206 C ALA A 90 -10.538 -3.700 2.844 1.00 1.00 C ATOM 1207 O ALA A 90 -11.727 -3.542 3.116 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.745 -1.386 2.496 1.00 1.00 C ATOM 0 H ALA A 90 -10.095 -3.646 0.046 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.720 -3.019 1.780 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.246 -1.416 3.464 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.206 -0.712 1.831 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.766 -1.028 2.625 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.788 -4.599 3.350 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.295 -5.658 4.418 1.00 1.00 C ATOM 1216 C GLY A 91 -9.079 -6.338 5.487 1.00 1.00 C ATOM 1217 O GLY A 91 -9.442 -6.914 6.504 1.00 1.00 O ATOM 0 H GLY A 91 -8.803 -4.705 3.105 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -11.061 -5.184 5.031 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.776 -6.477 3.884 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.687 -6.152 5.189 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.484 -6.668 6.155 1.00 1.00 C ATOM 1223 C HIS A 92 -6.450 -8.160 6.485 1.00 1.00 C ATOM 1224 O HIS A 92 -7.454 -8.673 6.996 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.622 -5.929 7.598 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.476 -6.716 8.604 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.836 -6.481 8.779 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.155 -7.694 9.480 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.264 -7.311 9.735 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.276 -8.074 10.199 1.00 1.00 N ATOM 0 H HIS A 92 -7.358 -5.681 4.346 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.584 -6.438 5.584 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.627 -5.777 8.017 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.061 -4.942 7.453 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.402 -5.801 8.271 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.169 -8.117 9.601 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.284 -7.357 10.087 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.367 -8.893 6.230 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.396 -10.418 6.610 1.00 1.00 C ATOM 1241 C ALA A 93 -4.751 -10.623 7.993 1.00 1.00 C ATOM 1242 O ALA A 93 -3.595 -11.031 8.100 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.636 -11.352 5.525 1.00 1.00 C ATOM 0 H ALA A 93 -4.505 -8.554 5.804 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.443 -10.719 6.625 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.689 -12.394 5.841 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.115 -11.243 4.552 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.592 -11.048 5.451 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.532 -10.328 9.047 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.046 -10.478 10.429 1.00 1.00 C ATOM 1251 C ALA A 94 -4.305 -11.794 10.583 1.00 1.00 C ATOM 1252 O ALA A 94 -4.952 -12.782 10.881 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.247 -10.440 11.434 1.00 1.00 C ATOM 0 H ALA A 94 -6.491 -9.988 8.970 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.368 -9.653 10.647 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.873 -10.552 12.452 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.769 -9.487 11.342 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.936 -11.254 11.209 1.00 1.00 H new