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= -0.863 USER MOD Set 1.2: A 87 GLN : amide:sc= -8.24! C(o=-9.1!,f=-22!) USER MOD Set 2.1: A 66 ASN : amide:sc= -7.38! C(o=-12!,f=-11!) USER MOD Set 2.2: A 73 GLN : amide:sc= -4.65 K(o=-12,f=-15!) USER MOD Set 3.1: A 69 SER OG : rot -71:sc= 0.732 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.0739 K(o=0.66,f=-1.4) USER MOD Set 4.1: A 31 THR OG1 : rot 161:sc= -8.8! USER MOD Set 4.2: A 39 GLN : amide:sc= -6.85! C(o=-16!,f=-18!) USER MOD Set 5.1: A 1 GLY N :NH3+ -159:sc= -30.2! (180deg=-19.5!) USER MOD Set 5.2: A 23 ASN : amide:sc= -20.8! C(o=-51!,f=-49!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.908 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.000744 X(o=-0.00074,f=-0.11) USER MOD Single : A 12 ASN : amide:sc= -1.75! C(o=-1.8!,f=-5.3!) USER MOD Single : A 13 ASN : amide:sc= -2.6 K(o=-2.6,f=-5.2!) USER MOD Single : A 18 ASN : amide:sc= -10.7! C(o=-11!,f=-17!) USER MOD Single : A 21 SER OG : rot 33:sc= 0.742 USER MOD Single : A 22 ASN : amide:sc= -4.43! C(o=-4.4!,f=-4.7!) 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 -3:sc= 0.867 USER MOD Single : A 34 SER OG : rot -50:sc= 0.0143 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 140:sc= -4.98! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -1.87! (180deg=-2.02!) USER MOD Single : A 53 THR OG1 : rot -136:sc= -6.18! 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 71 SER OG : rot 24:sc= 0.698! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.86! C(o=-6.9!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.998 -5.208 3.698 1.00 1.00 N ATOM 2 CA GLY A 1 6.599 -6.190 2.966 1.00 1.00 C ATOM 3 C GLY A 1 6.464 -7.390 3.771 1.00 1.00 C ATOM 4 O GLY A 1 7.485 -8.108 3.919 1.00 1.00 O ATOM 0 H1 GLY A 1 6.758 -4.309 3.233 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.530 -5.254 4.626 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.028 -5.267 3.827 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.643 -5.944 2.503 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.309 -6.363 2.158 1.00 1.00 H new ATOM 10 N SER A 2 5.152 -7.754 4.401 1.00 1.00 N ATOM 11 CA SER A 2 5.081 -8.994 5.183 1.00 1.00 C ATOM 12 C SER A 2 4.062 -9.843 4.573 1.00 1.00 C ATOM 13 O SER A 2 4.372 -10.919 4.024 1.00 1.00 O ATOM 14 CB SER A 2 4.759 -8.665 6.635 1.00 1.00 C ATOM 15 OG SER A 2 5.317 -9.639 7.500 1.00 1.00 O ATOM 0 H SER A 2 4.289 -7.213 4.337 1.00 1.00 H new ATOM 0 HA SER A 2 6.033 -9.524 5.180 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.151 -7.680 6.886 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.679 -8.623 6.774 1.00 1.00 H new ATOM 0 HG SER A 2 5.103 -9.413 8.429 1.00 1.00 H new ATOM 21 N GLY A 3 2.861 -9.444 4.694 1.00 1.00 N ATOM 22 CA GLY A 3 1.766 -10.183 4.166 1.00 1.00 C ATOM 23 C GLY A 3 0.600 -9.267 3.939 1.00 1.00 C ATOM 24 O GLY A 3 0.663 -8.097 4.270 1.00 1.00 O ATOM 0 H GLY A 3 2.595 -8.581 5.169 1.00 1.00 H new ATOM 0 HA2 GLY A 3 2.054 -10.659 3.229 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.486 -10.980 4.855 1.00 1.00 H new ATOM 28 N PRO A 4 -0.471 -9.765 3.381 1.00 1.00 N ATOM 29 CA PRO A 4 -1.662 -8.932 3.116 1.00 1.00 C ATOM 30 C PRO A 4 -2.075 -8.379 4.278 1.00 1.00 C ATOM 31 O PRO A 4 -2.922 -8.946 4.947 1.00 1.00 O ATOM 32 CB PRO A 4 -2.719 -9.901 2.556 1.00 1.00 C ATOM 33 CG PRO A 4 -2.166 -11.278 2.861 1.00 1.00 C ATOM 34 CD PRO A 4 -0.637 -11.112 2.977 1.00 1.00 C ATOM 0 HA PRO A 4 -1.469 -8.119 2.416 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.689 -9.748 3.030 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.861 -9.758 1.485 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.586 -11.670 3.787 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.422 -11.984 2.071 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.214 -11.803 3.706 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.140 -11.308 2.027 1.00 1.00 H new ATOM 42 N THR A 5 -1.570 -7.289 4.611 1.00 1.00 N ATOM 43 CA THR A 5 -1.923 -6.663 5.803 1.00 1.00 C ATOM 44 C THR A 5 -0.855 -5.841 6.304 1.00 1.00 C ATOM 45 O THR A 5 -1.111 -5.087 7.130 1.00 1.00 O ATOM 46 CB THR A 5 -2.230 -7.645 6.991 1.00 1.00 C ATOM 47 OG1 THR A 5 -1.991 -6.978 8.237 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.326 -8.959 6.952 1.00 1.00 C ATOM 0 H THR A 5 -0.880 -6.784 4.055 1.00 1.00 H new ATOM 0 HA THR A 5 -2.816 -6.102 5.527 1.00 1.00 H new ATOM 0 HB THR A 5 -3.273 -7.944 6.891 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.218 -6.029 8.149 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.581 -9.601 7.795 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.505 -9.496 6.020 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.274 -8.679 7.014 1.00 1.00 H new ATOM 56 N TYR A 6 0.551 -6.166 5.979 1.00 1.00 N ATOM 57 CA TYR A 6 1.564 -5.459 6.710 1.00 1.00 C ATOM 58 C TYR A 6 1.305 -4.256 6.961 1.00 1.00 C ATOM 59 O TYR A 6 1.783 -3.686 7.971 1.00 1.00 O ATOM 60 CB TYR A 6 2.939 -5.517 6.256 1.00 1.00 C ATOM 61 CG TYR A 6 3.863 -5.174 7.708 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.106 -6.205 8.648 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.347 -3.857 8.029 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.813 -5.941 9.826 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.048 -3.632 9.212 1.00 1.00 C ATOM 66 CZ TYR A 6 5.282 -4.666 10.098 1.00 1.00 C ATOM 67 OH TYR A 6 5.979 -4.427 11.262 1.00 1.00 O ATOM 0 H TYR A 6 0.872 -6.843 5.287 1.00 1.00 H new ATOM 0 HA TYR A 6 1.511 -6.073 7.609 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.185 -6.496 5.845 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.135 -4.784 5.473 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.743 -7.203 8.454 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.166 -3.038 7.349 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.995 -6.739 10.530 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.412 -2.641 9.438 1.00 1.00 H new ATOM 0 HH TYR A 6 6.238 -3.483 11.300 1.00 1.00 H new ATOM 77 N CYS A 7 0.529 -3.711 6.158 1.00 1.00 N ATOM 78 CA CYS A 7 0.177 -2.478 6.363 1.00 1.00 C ATOM 79 C CYS A 7 1.260 -1.533 6.644 1.00 1.00 C ATOM 80 O CYS A 7 1.158 -0.737 7.591 1.00 1.00 O ATOM 81 CB CYS A 7 -0.725 -2.469 7.493 1.00 1.00 C ATOM 82 SG CYS A 7 -1.460 -0.756 7.703 1.00 1.00 S ATOM 0 H CYS A 7 0.131 -4.153 5.329 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.266 -2.136 5.428 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.519 -3.200 7.342 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.192 -2.760 8.398 1.00 1.00 H new ATOM 87 N TRP A 8 2.247 -1.552 5.855 1.00 1.00 N ATOM 88 CA TRP A 8 3.334 -0.530 6.051 1.00 1.00 C ATOM 89 C TRP A 8 2.576 0.710 6.376 1.00 1.00 C ATOM 90 O TRP A 8 1.842 1.147 5.522 1.00 1.00 O ATOM 91 CB TRP A 8 4.046 -0.299 4.807 1.00 1.00 C ATOM 92 CG TRP A 8 5.238 0.705 4.969 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.488 1.853 4.201 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.365 0.631 5.929 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.669 2.405 4.599 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.237 1.712 5.688 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.711 -0.272 6.985 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.392 1.893 6.455 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.870 -0.067 7.738 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.698 1.010 7.474 1.00 1.00 C ATOM 0 H TRP A 8 2.380 -2.206 5.083 1.00 1.00 H new ATOM 0 HA TRP A 8 4.060 -0.836 6.804 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.425 -1.248 4.429 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.351 0.087 4.061 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.848 2.237 3.421 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.092 3.223 4.161 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.073 -1.116 7.201 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.048 2.726 6.251 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.122 -0.754 8.532 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.588 1.162 8.067 1.00 1.00 H new ATOM 111 N ASN A 9 2.572 1.211 7.608 1.00 1.00 N ATOM 112 CA ASN A 9 1.685 2.311 7.931 1.00 1.00 C ATOM 113 C ASN A 9 1.377 3.220 6.812 1.00 1.00 C ATOM 114 O ASN A 9 0.259 3.724 6.705 1.00 1.00 O ATOM 115 CB ASN A 9 2.233 3.094 9.127 1.00 1.00 C ATOM 116 CG ASN A 9 2.156 2.246 10.395 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.094 1.732 10.737 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.229 2.072 11.115 1.00 1.00 N ATOM 0 H ASN A 9 3.157 0.881 8.376 1.00 1.00 H new ATOM 0 HA ASN A 9 0.731 1.848 8.183 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.266 3.385 8.938 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.663 4.013 9.261 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.188 1.508 11.964 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.110 2.500 10.829 1.00 1.00 H new ATOM 125 N GLU A 10 2.301 3.449 6.022 1.00 1.00 N ATOM 126 CA GLU A 10 2.130 4.334 4.909 1.00 1.00 C ATOM 127 C GLU A 10 1.362 5.607 5.323 1.00 1.00 C ATOM 128 O GLU A 10 0.335 5.980 4.725 1.00 1.00 O ATOM 129 CB GLU A 10 1.410 3.715 3.672 1.00 1.00 C ATOM 130 CG GLU A 10 2.279 2.787 2.982 1.00 1.00 C ATOM 131 CD GLU A 10 1.485 1.995 1.935 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.619 2.583 1.309 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.755 0.817 1.785 1.00 1.00 O ATOM 0 H GLU A 10 3.232 3.038 6.097 1.00 1.00 H new ATOM 0 HA GLU A 10 3.150 4.565 4.603 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.504 3.201 3.993 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.103 4.508 2.990 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.092 3.329 2.499 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.734 2.103 3.698 1.00 1.00 H new ATOM 140 N ALA A 11 1.927 6.283 6.285 1.00 1.00 N ATOM 141 CA ALA A 11 1.462 7.459 6.693 1.00 1.00 C ATOM 142 C ALA A 11 2.533 8.034 7.546 1.00 1.00 C ATOM 143 O ALA A 11 2.796 7.535 8.633 1.00 1.00 O ATOM 144 CB ALA A 11 0.192 7.350 7.404 1.00 1.00 C ATOM 0 H ALA A 11 2.755 5.965 6.788 1.00 1.00 H new ATOM 0 HA ALA A 11 1.236 8.104 5.844 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.138 8.342 7.713 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.556 6.907 6.747 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.321 6.720 8.284 1.00 1.00 H new ATOM 150 N ASN A 12 3.074 9.045 7.099 1.00 1.00 N ATOM 151 CA ASN A 12 4.159 9.819 7.833 1.00 1.00 C ATOM 152 C ASN A 12 5.111 10.701 6.785 1.00 1.00 C ATOM 153 O ASN A 12 6.309 10.857 6.998 1.00 1.00 O ATOM 154 CB ASN A 12 5.016 8.821 8.697 1.00 1.00 C ATOM 155 CG ASN A 12 6.436 9.330 8.937 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.356 8.976 8.203 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.666 10.152 9.929 1.00 1.00 N ATOM 0 H ASN A 12 2.834 9.446 6.192 1.00 1.00 H new ATOM 0 HA ASN A 12 3.685 10.543 8.495 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.524 8.660 9.656 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.059 7.855 8.195 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.610 10.500 10.094 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.901 10.444 10.537 1.00 1.00 H new ATOM 164 N ASN A 13 4.486 11.323 5.724 1.00 1.00 N ATOM 165 CA ASN A 13 5.238 12.195 4.808 1.00 1.00 C ATOM 166 C ASN A 13 4.315 12.802 3.692 1.00 1.00 C ATOM 167 O ASN A 13 3.235 12.299 3.435 1.00 1.00 O ATOM 168 CB ASN A 13 6.375 11.424 4.145 1.00 1.00 C ATOM 169 CG ASN A 13 7.714 12.198 4.211 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.193 12.701 3.197 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.335 12.309 5.353 1.00 1.00 N ATOM 0 H ASN A 13 3.494 11.228 5.505 1.00 1.00 H new ATOM 0 HA ASN A 13 5.643 13.010 5.407 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.491 10.457 4.634 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.121 11.227 3.104 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.220 12.814 5.405 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.936 11.891 6.193 1.00 1.00 H new ATOM 178 N PRO A 14 4.785 13.885 3.017 1.00 1.00 N ATOM 179 CA PRO A 14 4.060 14.550 1.901 1.00 1.00 C ATOM 180 C PRO A 14 4.534 14.095 0.453 1.00 1.00 C ATOM 181 O PRO A 14 3.922 14.486 -0.539 1.00 1.00 O ATOM 182 CB PRO A 14 4.351 16.031 2.124 1.00 1.00 C ATOM 183 CG PRO A 14 5.466 16.033 3.147 1.00 1.00 C ATOM 184 CD PRO A 14 5.958 14.572 3.256 1.00 1.00 C ATOM 0 HA PRO A 14 3.001 14.292 1.917 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.656 16.522 1.200 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.471 16.560 2.491 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.276 16.694 2.838 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.109 16.396 4.111 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.730 14.340 2.522 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.375 14.349 4.238 1.00 1.00 H new ATOM 192 N GLY A 15 5.539 13.257 0.358 1.00 1.00 N ATOM 193 CA GLY A 15 5.986 12.730 -0.999 1.00 1.00 C ATOM 194 C GLY A 15 5.373 11.378 -1.144 1.00 1.00 C ATOM 195 O GLY A 15 5.843 10.493 -1.833 1.00 1.00 O ATOM 0 H GLY A 15 6.076 12.908 1.152 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.660 13.393 -1.800 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.073 12.672 -1.055 1.00 1.00 H new ATOM 199 N GLY A 16 4.334 11.272 -0.480 1.00 1.00 N ATOM 200 CA GLY A 16 3.567 10.063 -0.404 1.00 1.00 C ATOM 201 C GLY A 16 3.350 9.804 1.034 1.00 1.00 C ATOM 202 O GLY A 16 3.194 10.737 1.772 1.00 1.00 O ATOM 0 H GLY A 16 3.942 12.039 0.066 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.617 10.171 -0.928 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.098 9.235 -0.873 1.00 1.00 H new ATOM 206 N PRO A 17 3.329 8.555 1.519 1.00 1.00 N ATOM 207 CA PRO A 17 3.115 8.306 2.976 1.00 1.00 C ATOM 208 C PRO A 17 4.354 8.489 3.638 1.00 1.00 C ATOM 209 O PRO A 17 5.143 9.262 3.169 1.00 1.00 O ATOM 210 CB PRO A 17 2.729 6.798 2.940 1.00 1.00 C ATOM 211 CG PRO A 17 2.502 6.486 1.554 1.00 1.00 C ATOM 212 CD PRO A 17 3.461 7.329 0.832 1.00 1.00 C ATOM 0 HA PRO A 17 2.387 8.942 3.479 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.525 6.180 3.355 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.836 6.608 3.535 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.671 5.428 1.351 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.476 6.708 1.259 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.476 6.935 0.886 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.211 7.422 -0.225 1.00 1.00 H new ATOM 220 N ASN A 18 4.631 7.667 4.819 1.00 1.00 N ATOM 221 CA ASN A 18 5.938 7.726 5.468 1.00 1.00 C ATOM 222 C ASN A 18 6.970 7.841 4.374 1.00 1.00 C ATOM 223 O ASN A 18 8.158 7.973 4.642 1.00 1.00 O ATOM 224 CB ASN A 18 6.264 6.386 6.335 1.00 1.00 C ATOM 225 CG ASN A 18 5.012 5.554 6.595 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.099 6.000 7.256 1.00 1.00 O ATOM 227 ND2 ASN A 18 4.944 4.337 6.118 1.00 1.00 N ATOM 0 H ASN A 18 3.963 7.027 5.250 1.00 1.00 H new ATOM 0 HA ASN A 18 5.949 8.573 6.154 1.00 1.00 H new ATOM 0 HB2 ASN A 18 6.998 5.780 5.804 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.714 6.670 7.286 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.122 3.762 6.302 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.713 3.963 5.562 1.00 1.00 H new ATOM 234 N ARG A 19 6.443 7.699 3.064 1.00 1.00 N ATOM 235 CA ARG A 19 7.166 7.715 1.930 1.00 1.00 C ATOM 236 C ARG A 19 7.580 6.486 1.842 1.00 1.00 C ATOM 237 O ARG A 19 8.613 6.176 2.341 1.00 1.00 O ATOM 238 CB ARG A 19 8.284 8.839 1.955 1.00 1.00 C ATOM 239 CG ARG A 19 7.773 10.064 1.133 1.00 1.00 C ATOM 240 CD ARG A 19 8.330 9.968 -0.326 1.00 1.00 C ATOM 241 NE ARG A 19 9.620 10.674 -0.429 1.00 1.00 N ATOM 242 CZ ARG A 19 10.080 11.098 -1.608 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.387 10.875 -2.691 1.00 1.00 N ATOM 244 NH2 ARG A 19 11.220 11.740 -1.680 1.00 1.00 N ATOM 0 H ARG A 19 5.446 7.571 2.893 1.00 1.00 H new ATOM 0 HA ARG A 19 6.615 7.997 1.033 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.500 9.135 2.981 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.213 8.459 1.530 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.683 10.080 1.119 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.099 10.993 1.600 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.457 8.922 -0.606 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.614 10.401 -1.025 1.00 1.00 H new ATOM 0 HE ARG A 19 10.170 10.841 0.414 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.498 10.379 -2.634 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.735 11.197 -3.594 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.760 11.918 -0.833 1.00 1.00 H new ATOM 0 HH22 ARG A 19 11.568 12.062 -2.583 1.00 1.00 H new ATOM 258 N CYS A 20 6.573 5.542 1.089 1.00 1.00 N ATOM 259 CA CYS A 20 6.808 4.057 0.882 1.00 1.00 C ATOM 260 C CYS A 20 8.220 4.006 1.406 1.00 1.00 C ATOM 261 O CYS A 20 9.080 4.706 0.870 1.00 1.00 O ATOM 262 CB CYS A 20 6.571 3.724 -0.672 1.00 1.00 C ATOM 263 SG CYS A 20 6.565 1.844 -1.175 1.00 1.00 S ATOM 0 H CYS A 20 5.694 5.873 0.691 1.00 1.00 H new ATOM 0 HA CYS A 20 6.171 3.317 1.367 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.617 4.159 -0.971 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.346 4.228 -1.250 1.00 1.00 H new ATOM 268 N SER A 21 8.464 3.324 2.438 1.00 1.00 N ATOM 269 CA SER A 21 9.867 3.422 3.090 1.00 1.00 C ATOM 270 C SER A 21 10.541 2.131 3.530 1.00 1.00 C ATOM 271 O SER A 21 11.573 2.184 4.179 1.00 1.00 O ATOM 272 CB SER A 21 9.677 4.352 4.302 1.00 1.00 C ATOM 273 OG SER A 21 10.615 4.030 5.323 1.00 1.00 O ATOM 0 H SER A 21 7.806 2.695 2.898 1.00 1.00 H new ATOM 0 HA SER A 21 10.552 3.782 2.322 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.804 5.390 3.996 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.662 4.256 4.688 1.00 1.00 H new ATOM 0 HG SER A 21 11.449 3.719 4.914 1.00 1.00 H new ATOM 279 N ASN A 22 10.025 1.040 3.183 1.00 1.00 N ATOM 280 CA ASN A 22 10.645 -0.230 3.544 1.00 1.00 C ATOM 281 C ASN A 22 10.168 -1.194 2.657 1.00 1.00 C ATOM 282 O ASN A 22 9.279 -0.949 1.974 1.00 1.00 O ATOM 283 CB ASN A 22 10.269 -0.619 4.998 1.00 1.00 C ATOM 284 CG ASN A 22 11.337 -0.141 5.998 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.304 0.513 5.619 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.212 -0.445 7.258 1.00 1.00 N ATOM 0 H ASN A 22 9.164 0.957 2.642 1.00 1.00 H new ATOM 0 HA ASN A 22 11.731 -0.153 3.486 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.304 -0.182 5.256 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.158 -1.701 5.070 1.00 1.00 H new ATOM 0 HD21 ASN A 22 11.917 -0.140 7.929 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.409 -0.988 7.574 1.00 1.00 H new ATOM 293 N ASN A 23 10.721 -2.357 2.684 1.00 1.00 N ATOM 294 CA ASN A 23 10.227 -3.374 1.843 1.00 1.00 C ATOM 295 C ASN A 23 9.870 -2.792 0.417 1.00 1.00 C ATOM 296 O ASN A 23 8.717 -2.509 0.109 1.00 1.00 O ATOM 297 CB ASN A 23 8.993 -4.022 2.573 1.00 1.00 C ATOM 298 CG ASN A 23 8.347 -3.050 3.689 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.904 -1.971 3.418 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.291 -3.461 4.919 1.00 1.00 N ATOM 0 H ASN A 23 11.509 -2.620 3.276 1.00 1.00 H new ATOM 0 HA ASN A 23 10.977 -4.145 1.662 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.232 -4.277 1.835 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.304 -4.954 3.045 1.00 1.00 H new ATOM 0 HD21 ASN A 23 7.875 -2.868 5.637 1.00 1.00 H new ATOM 0 HD22 ASN A 23 8.663 -4.377 5.168 1.00 1.00 H new ATOM 307 N LYS A 24 10.896 -2.537 -0.325 1.00 1.00 N ATOM 308 CA LYS A 24 10.757 -1.854 -1.667 1.00 1.00 C ATOM 309 C LYS A 24 9.962 -0.576 -1.418 1.00 1.00 C ATOM 310 O LYS A 24 9.295 -0.059 -2.304 1.00 1.00 O ATOM 311 CB LYS A 24 10.021 -2.711 -2.720 1.00 1.00 C ATOM 312 CG LYS A 24 10.936 -3.696 -3.432 1.00 1.00 C ATOM 313 CD LYS A 24 10.042 -4.876 -4.033 1.00 1.00 C ATOM 314 CE LYS A 24 10.607 -5.374 -5.357 1.00 1.00 C ATOM 315 NZ LYS A 24 10.195 -4.456 -6.445 1.00 1.00 N ATOM 0 H LYS A 24 11.855 -2.771 -0.069 1.00 1.00 H new ATOM 0 HA LYS A 24 11.752 -1.669 -2.072 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.214 -3.260 -2.234 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.560 -2.054 -3.457 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.486 -3.194 -4.228 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.675 -4.097 -2.738 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.996 -5.700 -3.321 1.00 1.00 H new ATOM 0 HD3 LYS A 24 9.021 -4.524 -4.179 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.694 -5.427 -5.304 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.248 -6.383 -5.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.580 -4.795 -7.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.157 -4.427 -6.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.558 -3.501 -6.250 1.00 1.00 H new ATOM 329 N GLN A 25 10.065 -0.127 -0.154 1.00 1.00 N ATOM 330 CA GLN A 25 9.423 1.038 0.345 1.00 1.00 C ATOM 331 C GLN A 25 8.010 0.760 0.784 1.00 1.00 C ATOM 332 O GLN A 25 7.421 1.591 1.382 1.00 1.00 O ATOM 333 CB GLN A 25 9.529 2.226 -0.668 1.00 1.00 C ATOM 334 CG GLN A 25 10.887 2.984 -0.470 1.00 1.00 C ATOM 335 CD GLN A 25 11.921 2.531 -1.512 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.911 1.886 -1.167 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.742 2.836 -2.768 1.00 1.00 N ATOM 0 H GLN A 25 10.626 -0.605 0.551 1.00 1.00 H new ATOM 0 HA GLN A 25 9.955 1.350 1.244 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.459 1.851 -1.689 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.696 2.913 -0.523 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.725 4.058 -0.555 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.270 2.798 0.534 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.921 3.371 -3.051 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.423 2.540 -3.467 1.00 1.00 H new ATOM 346 N CYS A 26 7.425 -0.464 0.503 1.00 1.00 N ATOM 347 CA CYS A 26 5.980 -0.711 0.992 1.00 1.00 C ATOM 348 C CYS A 26 5.933 -1.908 1.792 1.00 1.00 C ATOM 349 O CYS A 26 6.777 -2.710 1.626 1.00 1.00 O ATOM 350 CB CYS A 26 5.108 -0.829 -0.218 1.00 1.00 C ATOM 351 SG CYS A 26 4.691 0.969 -0.821 1.00 1.00 S ATOM 0 H CYS A 26 7.864 -1.232 -0.005 1.00 1.00 H new ATOM 0 HA CYS A 26 5.630 0.111 1.616 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.617 -1.388 -1.003 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.195 -1.374 0.020 1.00 1.00 H new ATOM 356 N ASP A 27 4.980 -2.117 2.623 1.00 1.00 N ATOM 357 CA ASP A 27 4.868 -3.321 3.418 1.00 1.00 C ATOM 358 C ASP A 27 3.588 -3.887 3.130 1.00 1.00 C ATOM 359 O ASP A 27 2.654 -3.193 2.744 1.00 1.00 O ATOM 360 CB ASP A 27 5.109 -3.084 4.989 1.00 1.00 C ATOM 361 CG ASP A 27 5.668 -4.356 5.691 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.307 -5.458 5.283 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.466 -4.199 6.605 1.00 1.00 O ATOM 0 H ASP A 27 4.227 -1.448 2.786 1.00 1.00 H new ATOM 0 HA ASP A 27 5.664 -4.015 3.148 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.805 -2.257 5.128 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.170 -2.793 5.460 1.00 1.00 H new ATOM 368 N GLY A 28 3.535 -5.217 3.201 1.00 1.00 N ATOM 369 CA GLY A 28 2.406 -5.949 2.839 1.00 1.00 C ATOM 370 C GLY A 28 2.794 -7.294 2.013 1.00 1.00 C ATOM 371 O GLY A 28 2.000 -7.804 1.338 1.00 1.00 O ATOM 0 H GLY A 28 4.313 -5.792 3.524 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.848 -6.222 3.735 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.749 -5.327 2.231 1.00 1.00 H new ATOM 375 N ALA A 29 4.042 -7.823 2.216 1.00 1.00 N ATOM 376 CA ALA A 29 4.523 -9.119 1.594 1.00 1.00 C ATOM 377 C ALA A 29 5.965 -9.069 1.138 1.00 1.00 C ATOM 378 O ALA A 29 6.623 -10.111 1.047 1.00 1.00 O ATOM 379 CB ALA A 29 3.587 -9.624 0.442 1.00 1.00 C ATOM 0 H ALA A 29 4.742 -7.375 2.807 1.00 1.00 H new ATOM 0 HA ALA A 29 4.473 -9.849 2.402 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.981 -10.555 0.035 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.585 -9.796 0.836 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.543 -8.873 -0.347 1.00 1.00 H new ATOM 385 N ARG A 30 6.455 -7.885 0.773 1.00 1.00 N ATOM 386 CA ARG A 30 7.884 -7.837 0.225 1.00 1.00 C ATOM 387 C ARG A 30 8.922 -8.677 1.154 1.00 1.00 C ATOM 388 O ARG A 30 8.630 -9.163 2.242 1.00 1.00 O ATOM 389 CB ARG A 30 8.495 -6.294 -0.239 1.00 1.00 C ATOM 390 CG ARG A 30 7.544 -5.624 -1.149 1.00 1.00 C ATOM 391 CD ARG A 30 6.459 -4.670 -0.449 1.00 1.00 C ATOM 392 NE ARG A 30 6.650 -3.318 -0.968 1.00 1.00 N ATOM 393 CZ ARG A 30 6.758 -3.083 -2.351 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.623 -4.072 -3.185 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.993 -1.872 -2.810 1.00 1.00 N ATOM 0 H ARG A 30 5.963 -6.993 0.824 1.00 1.00 H new ATOM 0 HA ARG A 30 7.797 -8.344 -0.736 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.659 -5.678 0.645 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.461 -6.410 -0.731 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.113 -5.031 -1.865 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.014 -6.389 -1.717 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.449 -5.021 -0.661 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.581 -4.684 0.634 1.00 1.00 H new ATOM 0 HE ARG A 30 6.706 -2.533 -0.319 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.440 -5.013 -2.835 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.700 -3.907 -4.189 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.099 -1.092 -2.161 1.00 1.00 H new ATOM 0 HH22 ARG A 30 7.069 -1.713 -3.815 1.00 1.00 H new ATOM 409 N THR A 31 10.001 -8.829 0.545 1.00 1.00 N ATOM 410 CA THR A 31 11.114 -9.540 0.900 1.00 1.00 C ATOM 411 C THR A 31 12.259 -8.778 0.708 1.00 1.00 C ATOM 412 O THR A 31 12.343 -8.237 -0.222 1.00 1.00 O ATOM 413 CB THR A 31 11.150 -10.674 -0.191 1.00 1.00 C ATOM 414 OG1 THR A 31 11.461 -10.194 -1.441 1.00 1.00 O ATOM 415 CG2 THR A 31 9.773 -11.325 -0.236 1.00 1.00 C ATOM 0 H THR A 31 10.137 -8.381 -0.361 1.00 1.00 H new ATOM 0 HA THR A 31 11.082 -9.871 1.938 1.00 1.00 H new ATOM 0 HB THR A 31 11.928 -11.387 0.082 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.768 -10.932 -2.008 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.769 -12.116 -0.985 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.539 -11.749 0.741 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.025 -10.576 -0.495 1.00 1.00 H new ATOM 423 N CYS A 32 13.148 -8.646 1.598 1.00 1.00 N ATOM 424 CA CYS A 32 14.368 -7.678 1.256 1.00 1.00 C ATOM 425 C CYS A 32 15.369 -8.344 0.435 1.00 1.00 C ATOM 426 O CYS A 32 15.184 -9.442 -0.069 1.00 1.00 O ATOM 427 CB CYS A 32 14.984 -6.881 2.566 1.00 1.00 C ATOM 428 SG CYS A 32 16.238 -5.647 2.117 1.00 1.00 S ATOM 0 H CYS A 32 13.162 -9.097 2.513 1.00 1.00 H new ATOM 0 HA CYS A 32 13.960 -6.874 0.644 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.172 -6.388 3.100 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.423 -7.605 3.252 1.00 1.00 H new ATOM 433 N SER A 33 16.391 -7.691 0.325 1.00 1.00 N ATOM 434 CA SER A 33 17.559 -8.225 -0.484 1.00 1.00 C ATOM 435 C SER A 33 18.308 -9.156 0.332 1.00 1.00 C ATOM 436 O SER A 33 19.284 -9.784 -0.079 1.00 1.00 O ATOM 437 CB SER A 33 18.336 -7.193 -1.089 1.00 1.00 C ATOM 438 OG SER A 33 19.526 -7.740 -1.643 1.00 1.00 O ATOM 0 H SER A 33 16.541 -6.774 0.747 1.00 1.00 H new ATOM 0 HA SER A 33 17.184 -8.778 -1.345 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.756 -6.700 -1.869 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.586 -6.433 -0.348 1.00 1.00 H new ATOM 0 HG SER A 33 19.571 -8.698 -1.440 1.00 1.00 H new ATOM 444 N SER A 34 17.769 -9.314 1.400 1.00 1.00 N ATOM 445 CA SER A 34 18.092 -10.192 2.394 1.00 1.00 C ATOM 446 C SER A 34 16.693 -10.994 2.733 1.00 1.00 C ATOM 447 O SER A 34 16.614 -11.700 3.738 1.00 1.00 O ATOM 448 CB SER A 34 18.545 -9.427 3.570 1.00 1.00 C ATOM 449 OG SER A 34 19.231 -10.291 4.467 1.00 1.00 O ATOM 0 H SER A 34 16.959 -8.750 1.657 1.00 1.00 H new ATOM 0 HA SER A 34 18.887 -10.882 2.113 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.202 -8.615 3.257 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.691 -8.971 4.071 1.00 1.00 H new ATOM 0 HG SER A 34 18.689 -11.091 4.630 1.00 1.00 H new ATOM 455 N SER A 35 15.569 -10.841 1.775 1.00 1.00 N ATOM 456 CA SER A 35 14.355 -11.459 1.908 1.00 1.00 C ATOM 457 C SER A 35 13.645 -10.931 3.019 1.00 1.00 C ATOM 458 O SER A 35 12.477 -11.246 3.248 1.00 1.00 O ATOM 459 CB SER A 35 14.502 -12.892 2.049 1.00 1.00 C ATOM 460 OG SER A 35 15.341 -13.391 1.018 1.00 1.00 O ATOM 0 H SER A 35 15.632 -10.255 0.942 1.00 1.00 H new ATOM 0 HA SER A 35 13.787 -11.265 0.998 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.927 -13.129 3.024 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.525 -13.374 2.001 1.00 1.00 H new ATOM 0 HG SER A 35 15.440 -14.361 1.117 1.00 1.00 H new ATOM 466 N GLY A 36 14.352 -10.110 3.765 1.00 1.00 N ATOM 467 CA GLY A 36 13.802 -9.511 4.904 1.00 1.00 C ATOM 468 C GLY A 36 12.488 -9.012 4.552 1.00 1.00 C ATOM 469 O GLY A 36 11.487 -9.600 4.926 1.00 1.00 O ATOM 0 H GLY A 36 15.322 -9.856 3.577 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.731 -10.232 5.718 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.438 -8.698 5.253 1.00 1.00 H new ATOM 473 N PHE A 37 12.470 -7.950 3.817 1.00 1.00 N ATOM 474 CA PHE A 37 11.345 -7.392 3.410 1.00 1.00 C ATOM 475 C PHE A 37 11.730 -6.120 2.722 1.00 1.00 C ATOM 476 O PHE A 37 11.650 -5.096 3.347 1.00 1.00 O ATOM 477 CB PHE A 37 10.340 -7.104 4.664 1.00 1.00 C ATOM 478 CG PHE A 37 11.051 -6.369 5.819 1.00 1.00 C ATOM 479 CD1 PHE A 37 11.725 -7.103 6.819 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.026 -4.953 5.893 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.365 -6.437 7.866 1.00 1.00 C ATOM 482 CE2 PHE A 37 11.669 -4.301 6.949 1.00 1.00 C ATOM 483 CZ PHE A 37 12.340 -5.041 7.933 1.00 1.00 C ATOM 0 H PHE A 37 13.312 -7.469 3.500 1.00 1.00 H new ATOM 0 HA PHE A 37 10.804 -8.054 2.734 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.494 -6.508 4.321 1.00 1.00 H new ATOM 0 HB3 PHE A 37 9.937 -8.048 5.029 1.00 1.00 H new ATOM 0 HD1 PHE A 37 11.746 -8.182 6.774 1.00 1.00 H new ATOM 0 HD2 PHE A 37 10.512 -4.380 5.136 1.00 1.00 H new ATOM 0 HE1 PHE A 37 12.882 -7.003 8.627 1.00 1.00 H new ATOM 0 HE2 PHE A 37 11.649 -3.223 7.007 1.00 1.00 H new ATOM 0 HZ PHE A 37 12.838 -4.531 8.744 1.00 1.00 H new ATOM 493 N CYS A 38 12.263 -6.148 1.297 1.00 1.00 N ATOM 494 CA CYS A 38 12.685 -4.914 0.537 1.00 1.00 C ATOM 495 C CYS A 38 12.911 -5.217 -0.849 1.00 1.00 C ATOM 496 O CYS A 38 13.614 -4.519 -1.588 1.00 1.00 O ATOM 497 CB CYS A 38 13.889 -4.163 1.187 1.00 1.00 C ATOM 498 SG CYS A 38 15.445 -4.778 0.547 1.00 1.00 S ATOM 0 H CYS A 38 12.369 -7.010 0.762 1.00 1.00 H new ATOM 0 HA CYS A 38 11.853 -4.212 0.594 1.00 1.00 H new ATOM 0 HB2 CYS A 38 13.806 -3.094 0.989 1.00 1.00 H new ATOM 0 HB3 CYS A 38 13.861 -4.290 2.269 1.00 1.00 H new ATOM 503 N GLN A 39 12.346 -6.264 -1.176 1.00 1.00 N ATOM 504 CA GLN A 39 12.382 -6.860 -2.436 1.00 1.00 C ATOM 505 C GLN A 39 11.208 -7.815 -2.516 1.00 1.00 C ATOM 506 O GLN A 39 10.770 -8.278 -1.568 1.00 1.00 O ATOM 507 CB GLN A 39 13.809 -7.549 -2.582 1.00 1.00 C ATOM 508 CG GLN A 39 13.819 -9.048 -2.385 1.00 1.00 C ATOM 509 CD GLN A 39 13.056 -9.750 -3.512 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.649 -10.901 -3.363 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.841 -9.120 -4.637 1.00 1.00 N ATOM 0 H GLN A 39 11.783 -6.797 -0.513 1.00 1.00 H new ATOM 0 HA GLN A 39 12.277 -6.163 -3.268 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.204 -7.325 -3.573 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.489 -7.098 -1.859 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.847 -9.409 -2.356 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.367 -9.296 -1.425 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.179 -8.165 -4.760 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.335 -9.583 -5.392 1.00 1.00 H new ATOM 520 N GLY A 40 10.638 -8.007 -3.698 1.00 1.00 N ATOM 521 CA GLY A 40 9.448 -8.901 -3.810 1.00 1.00 C ATOM 522 C GLY A 40 8.128 -8.205 -4.176 1.00 1.00 C ATOM 523 O GLY A 40 7.939 -7.761 -5.315 1.00 1.00 O ATOM 0 H GLY A 40 10.949 -7.584 -4.572 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.657 -9.662 -4.561 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.314 -9.419 -2.860 1.00 1.00 H new ATOM 527 N THR A 41 7.162 -8.192 -3.194 1.00 1.00 N ATOM 528 CA THR A 41 5.785 -7.624 -3.468 1.00 1.00 C ATOM 529 C THR A 41 5.004 -7.074 -2.124 1.00 1.00 C ATOM 530 O THR A 41 5.139 -7.645 -1.096 1.00 1.00 O ATOM 531 CB THR A 41 4.960 -8.820 -4.092 1.00 1.00 C ATOM 532 OG1 THR A 41 4.355 -8.397 -5.294 1.00 1.00 O ATOM 533 CG2 THR A 41 3.888 -9.326 -3.140 1.00 1.00 C ATOM 0 H THR A 41 7.297 -8.549 -2.248 1.00 1.00 H new ATOM 0 HA THR A 41 5.879 -6.757 -4.122 1.00 1.00 H new ATOM 0 HB THR A 41 5.653 -9.639 -4.283 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.845 -9.138 -5.682 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.345 -10.147 -3.607 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.355 -9.677 -2.220 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.195 -8.517 -2.909 1.00 1.00 H new ATOM 541 N SER A 42 4.159 -6.055 -2.262 1.00 1.00 N ATOM 542 CA SER A 42 3.313 -5.572 -1.072 1.00 1.00 C ATOM 543 C SER A 42 1.984 -5.961 -1.302 1.00 1.00 C ATOM 544 O SER A 42 1.173 -5.176 -1.807 1.00 1.00 O ATOM 545 CB SER A 42 3.404 -3.969 -0.808 1.00 1.00 C ATOM 546 OG SER A 42 4.282 -3.386 -1.725 1.00 1.00 O ATOM 0 H SER A 42 4.014 -5.539 -3.130 1.00 1.00 H new ATOM 0 HA SER A 42 3.711 -6.032 -0.167 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.415 -3.519 -0.901 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.746 -3.778 0.209 1.00 1.00 H new ATOM 0 HG SER A 42 3.917 -2.528 -2.027 1.00 1.00 H new ATOM 552 N ARG A 43 1.670 -7.225 -0.940 1.00 1.00 N ATOM 553 CA ARG A 43 0.348 -7.780 -1.110 1.00 1.00 C ATOM 554 C ARG A 43 -0.381 -7.159 -2.178 1.00 1.00 C ATOM 555 O ARG A 43 -1.428 -6.611 -1.976 1.00 1.00 O ATOM 556 CB ARG A 43 -0.409 -7.771 0.215 1.00 1.00 C ATOM 557 CG ARG A 43 -0.305 -6.314 0.975 1.00 1.00 C ATOM 558 CD ARG A 43 -1.579 -5.489 0.587 1.00 1.00 C ATOM 559 NE ARG A 43 -1.733 -4.395 1.509 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.835 -3.404 1.536 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.137 -3.383 0.661 1.00 1.00 N ATOM 562 NH2 ARG A 43 -0.941 -2.445 2.415 1.00 1.00 N ATOM 0 H ARG A 43 2.339 -7.872 -0.524 1.00 1.00 H new ATOM 0 HA ARG A 43 0.460 -8.820 -1.415 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.457 -8.012 0.036 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -0.010 -8.549 0.866 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.249 -6.448 2.055 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.600 -5.787 0.672 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.486 -5.112 -0.431 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.462 -6.128 0.611 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.530 -4.375 2.145 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.209 -4.121 -0.039 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.823 -2.629 0.679 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.711 -2.450 3.084 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.254 -1.691 2.432 1.00 1.00 H new ATOM 576 N LYS A 44 0.170 -7.346 -3.454 1.00 1.00 N ATOM 577 CA LYS A 44 -0.520 -6.845 -4.640 1.00 1.00 C ATOM 578 C LYS A 44 -1.826 -7.070 -4.434 1.00 1.00 C ATOM 579 O LYS A 44 -2.209 -8.116 -4.577 1.00 1.00 O ATOM 580 CB LYS A 44 -0.080 -7.567 -5.933 1.00 1.00 C ATOM 581 CG LYS A 44 -0.996 -7.056 -7.122 1.00 1.00 C ATOM 582 CD LYS A 44 -0.220 -7.117 -8.454 1.00 1.00 C ATOM 583 CE LYS A 44 -1.191 -6.870 -9.650 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.683 -8.182 -10.159 1.00 1.00 N ATOM 0 H LYS A 44 1.052 -7.823 -3.639 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.286 -5.789 -4.779 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.969 -7.361 -6.146 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.175 -8.647 -5.817 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.895 -7.669 -7.188 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.320 -6.034 -6.928 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.572 -6.368 -8.457 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.261 -8.090 -8.560 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.030 -6.252 -9.331 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -0.679 -6.327 -10.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.331 -8.024 -10.957 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.876 -8.756 -10.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -2.186 -8.683 -9.399 1.00 1.00 H new ATOM 598 N PRO A 45 -2.644 -6.043 -3.979 1.00 1.00 N ATOM 599 CA PRO A 45 -4.065 -6.275 -3.698 1.00 1.00 C ATOM 600 C PRO A 45 -4.574 -7.017 -4.804 1.00 1.00 C ATOM 601 O PRO A 45 -5.291 -6.527 -5.671 1.00 1.00 O ATOM 602 CB PRO A 45 -4.621 -4.920 -3.550 1.00 1.00 C ATOM 603 CG PRO A 45 -3.478 -4.157 -2.997 1.00 1.00 C ATOM 604 CD PRO A 45 -2.283 -4.663 -3.721 1.00 1.00 C ATOM 0 HA PRO A 45 -4.306 -6.851 -2.804 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.955 -4.513 -4.504 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.480 -4.906 -2.879 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.608 -3.086 -3.152 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.383 -4.314 -1.923 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.101 -4.110 -4.643 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.378 -4.585 -3.118 1.00 1.00 H new ATOM 612 N ASP A 46 -4.044 -8.220 -4.849 1.00 1.00 N ATOM 613 CA ASP A 46 -4.260 -9.092 -5.924 1.00 1.00 C ATOM 614 C ASP A 46 -5.668 -9.753 -5.862 1.00 1.00 C ATOM 615 O ASP A 46 -6.328 -9.716 -4.821 1.00 1.00 O ATOM 616 CB ASP A 46 -3.064 -10.275 -6.027 1.00 1.00 C ATOM 617 CG ASP A 46 -3.667 -11.704 -5.980 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.490 -11.953 -5.125 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.280 -12.512 -6.804 1.00 1.00 O ATOM 0 H ASP A 46 -3.446 -8.602 -4.116 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.211 -8.482 -6.826 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.503 -10.147 -6.953 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.357 -10.151 -5.207 1.00 1.00 H new ATOM 624 N PRO A 47 -6.116 -10.404 -6.955 1.00 1.00 N ATOM 625 CA PRO A 47 -7.434 -11.115 -6.971 1.00 1.00 C ATOM 626 C PRO A 47 -7.426 -12.338 -6.002 1.00 1.00 C ATOM 627 O PRO A 47 -7.750 -13.460 -6.396 1.00 1.00 O ATOM 628 CB PRO A 47 -7.597 -11.569 -8.466 1.00 1.00 C ATOM 629 CG PRO A 47 -6.576 -10.770 -9.235 1.00 1.00 C ATOM 630 CD PRO A 47 -5.430 -10.519 -8.272 1.00 1.00 C ATOM 0 HA PRO A 47 -8.257 -10.485 -6.634 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.422 -12.639 -8.574 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.606 -11.373 -8.829 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.234 -11.316 -10.114 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.001 -9.831 -9.589 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.709 -11.336 -8.281 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -4.884 -9.610 -8.523 1.00 1.00 H new ATOM 638 N GLY A 48 -7.063 -12.083 -4.737 1.00 1.00 N ATOM 639 CA GLY A 48 -7.020 -13.136 -3.707 1.00 1.00 C ATOM 640 C GLY A 48 -7.567 -12.560 -2.452 1.00 1.00 C ATOM 641 O GLY A 48 -8.734 -12.767 -2.127 1.00 1.00 O ATOM 0 H GLY A 48 -6.795 -11.158 -4.401 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.606 -14.001 -4.019 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -5.997 -13.482 -3.556 1.00 1.00 H new ATOM 645 N PRO A 49 -6.785 -11.763 -1.759 1.00 1.00 N ATOM 646 CA PRO A 49 -7.261 -11.099 -0.590 1.00 1.00 C ATOM 647 C PRO A 49 -8.478 -10.284 -0.957 1.00 1.00 C ATOM 648 O PRO A 49 -9.610 -10.736 -0.758 1.00 1.00 O ATOM 649 CB PRO A 49 -6.065 -10.192 -0.112 1.00 1.00 C ATOM 650 CG PRO A 49 -5.039 -10.233 -1.208 1.00 1.00 C ATOM 651 CD PRO A 49 -5.376 -11.449 -2.062 1.00 1.00 C ATOM 0 HA PRO A 49 -7.562 -11.780 0.206 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.400 -9.171 0.069 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.648 -10.561 0.825 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.068 -9.320 -1.803 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.033 -10.313 -0.796 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.241 -11.234 -3.122 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.726 -12.290 -1.822 1.00 1.00 H new ATOM 659 N LYS A 50 -8.234 -9.064 -1.472 1.00 1.00 N ATOM 660 CA LYS A 50 -9.287 -8.093 -1.874 1.00 1.00 C ATOM 661 C LYS A 50 -9.937 -7.458 -0.667 1.00 1.00 C ATOM 662 O LYS A 50 -11.126 -7.292 -0.649 1.00 1.00 O ATOM 663 CB LYS A 50 -10.419 -8.878 -2.769 1.00 1.00 C ATOM 664 CG LYS A 50 -10.327 -8.423 -4.350 1.00 1.00 C ATOM 665 CD LYS A 50 -11.141 -7.050 -4.605 1.00 1.00 C ATOM 666 CE LYS A 50 -10.513 -5.857 -3.785 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.062 -5.734 -4.124 1.00 1.00 N ATOM 0 H LYS A 50 -7.288 -8.714 -1.625 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.826 -7.298 -2.461 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.273 -9.955 -2.686 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.413 -8.660 -2.380 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.283 -8.289 -4.634 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.731 -9.213 -4.984 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.131 -6.810 -5.668 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.184 -7.183 -4.318 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.033 -4.927 -4.018 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.635 -6.031 -2.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.604 -5.080 -3.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.610 -6.668 -4.059 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -8.962 -5.368 -5.092 1.00 1.00 H new ATOM 681 N GLY A 51 -9.170 -7.173 0.410 1.00 1.00 N ATOM 682 CA GLY A 51 -9.692 -6.699 1.525 1.00 1.00 C ATOM 683 C GLY A 51 -8.841 -7.196 2.537 1.00 1.00 C ATOM 684 O GLY A 51 -8.179 -6.502 3.080 1.00 1.00 O ATOM 0 H GLY A 51 -8.158 -7.300 0.439 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.716 -5.609 1.523 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.718 -7.040 1.662 1.00 1.00 H new ATOM 688 N PRO A 52 -8.824 -8.502 2.755 1.00 1.00 N ATOM 689 CA PRO A 52 -7.899 -9.172 3.755 1.00 1.00 C ATOM 690 C PRO A 52 -6.460 -8.549 3.786 1.00 1.00 C ATOM 691 O PRO A 52 -5.549 -9.171 4.121 1.00 1.00 O ATOM 692 CB PRO A 52 -7.840 -10.595 3.252 1.00 1.00 C ATOM 693 CG PRO A 52 -9.195 -10.842 2.650 1.00 1.00 C ATOM 694 CD PRO A 52 -9.689 -9.473 2.110 1.00 1.00 C ATOM 0 HA PRO A 52 -8.264 -9.063 4.776 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.049 -10.721 2.513 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.633 -11.294 4.063 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.136 -11.578 1.848 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.885 -11.238 3.395 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.607 -9.420 1.024 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.736 -9.301 2.359 1.00 1.00 H new ATOM 702 N THR A 53 -6.378 -7.332 3.473 1.00 1.00 N ATOM 703 CA THR A 53 -5.169 -6.561 3.501 1.00 1.00 C ATOM 704 C THR A 53 -5.661 -5.160 3.720 1.00 1.00 C ATOM 705 O THR A 53 -6.829 -4.935 3.560 1.00 1.00 O ATOM 706 CB THR A 53 -4.347 -6.660 2.268 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.208 -5.456 1.769 1.00 1.00 O ATOM 708 CG2 THR A 53 -4.989 -7.572 1.254 1.00 1.00 C ATOM 0 H THR A 53 -7.187 -6.791 3.168 1.00 1.00 H new ATOM 0 HA THR A 53 -4.491 -6.923 4.274 1.00 1.00 H new ATOM 0 HB THR A 53 -3.374 -7.084 2.517 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.342 -5.487 0.799 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.363 -7.623 0.363 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.098 -8.570 1.679 1.00 1.00 H new ATOM 0 HG23 THR A 53 -5.971 -7.183 0.985 1.00 1.00 H new ATOM 716 N TYR A 54 -4.896 -4.267 4.076 1.00 1.00 N ATOM 717 CA TYR A 54 -5.488 -2.884 4.374 1.00 1.00 C ATOM 718 C TYR A 54 -4.528 -1.981 5.154 1.00 1.00 C ATOM 719 O TYR A 54 -3.992 -2.401 6.175 1.00 1.00 O ATOM 720 CB TYR A 54 -6.781 -3.117 5.286 1.00 1.00 C ATOM 721 CG TYR A 54 -6.890 -2.091 6.480 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.159 -2.305 7.658 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.728 -0.960 6.376 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.261 -1.402 8.721 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.823 -0.060 7.443 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.093 -0.280 8.613 1.00 1.00 C ATOM 727 OH TYR A 54 -7.191 0.609 9.666 1.00 1.00 O ATOM 0 H TYR A 54 -3.887 -4.358 4.195 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.707 -2.393 3.426 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.674 -3.040 4.666 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.758 -4.130 5.687 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.516 -3.169 7.744 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.296 -0.789 5.473 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.697 -1.570 9.627 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.462 0.807 7.362 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.809 1.332 9.428 1.00 1.00 H new ATOM 737 N CYS A 55 -4.310 -0.617 4.659 1.00 1.00 N ATOM 738 CA CYS A 55 -3.378 0.319 5.464 1.00 1.00 C ATOM 739 C CYS A 55 -3.883 1.759 5.802 1.00 1.00 C ATOM 740 O CYS A 55 -3.625 2.310 6.873 1.00 1.00 O ATOM 741 CB CYS A 55 -2.039 0.446 4.759 1.00 1.00 C ATOM 742 SG CYS A 55 -0.715 0.472 6.081 1.00 1.00 S ATOM 0 H CYS A 55 -4.723 -0.218 3.816 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.323 -0.184 6.430 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.884 -0.389 4.076 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -2.004 1.357 4.162 1.00 1.00 H new ATOM 747 N TRP A 56 -4.565 2.321 4.817 1.00 1.00 N ATOM 748 CA TRP A 56 -5.086 3.600 4.829 1.00 1.00 C ATOM 749 C TRP A 56 -6.638 3.612 4.898 1.00 1.00 C ATOM 750 O TRP A 56 -7.224 2.944 5.750 1.00 1.00 O ATOM 751 CB TRP A 56 -4.677 4.231 3.496 1.00 1.00 C ATOM 752 CG TRP A 56 -4.927 5.707 3.530 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.313 6.364 2.497 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.817 6.714 4.664 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.434 7.638 2.798 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.150 7.911 4.152 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.451 6.671 6.077 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.155 9.091 4.925 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.459 7.845 6.842 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.812 9.046 6.265 1.00 1.00 C ATOM 0 H TRP A 56 -4.760 1.827 3.946 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.714 4.131 5.705 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.622 4.037 3.301 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.241 3.777 2.681 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.509 5.934 1.526 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.705 8.353 2.123 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.174 5.732 6.533 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.427 10.032 4.470 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.188 7.809 7.887 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.821 9.949 6.857 1.00 1.00 H new ATOM 771 N ASP A 57 -7.340 4.355 3.843 1.00 1.00 N ATOM 772 CA ASP A 57 -8.732 4.371 3.715 1.00 1.00 C ATOM 773 C ASP A 57 -9.211 5.636 2.929 1.00 1.00 C ATOM 774 O ASP A 57 -10.400 5.939 2.968 1.00 1.00 O ATOM 775 CB ASP A 57 -9.385 4.355 5.071 1.00 1.00 C ATOM 776 CG ASP A 57 -9.871 2.947 5.452 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.252 1.992 5.023 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.855 2.856 6.170 1.00 1.00 O ATOM 0 H ASP A 57 -6.857 4.908 3.135 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.022 3.479 3.159 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.677 4.711 5.820 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.229 5.045 5.077 1.00 1.00 H new ATOM 783 N GLU A 58 -8.291 6.397 2.267 1.00 1.00 N ATOM 784 CA GLU A 58 -8.704 7.571 1.637 1.00 1.00 C ATOM 785 C GLU A 58 -7.595 8.270 1.088 1.00 1.00 C ATOM 786 O GLU A 58 -7.177 9.214 1.704 1.00 1.00 O ATOM 787 CB GLU A 58 -9.300 8.486 2.777 1.00 1.00 C ATOM 788 CG GLU A 58 -8.293 8.491 3.949 1.00 1.00 C ATOM 789 CD GLU A 58 -8.911 9.160 5.179 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.227 10.336 5.097 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.059 8.480 6.185 1.00 1.00 O ATOM 0 H GLU A 58 -7.297 6.181 2.187 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.411 7.339 0.840 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.463 9.499 2.409 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.268 8.107 3.106 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.001 7.469 4.191 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.386 9.020 3.656 1.00 1.00 H new ATOM 798 N ALA A 59 -7.020 7.970 -0.081 1.00 1.00 N ATOM 799 CA ALA A 59 -5.906 8.874 -0.530 1.00 1.00 C ATOM 800 C ALA A 59 -6.019 9.176 -2.101 1.00 1.00 C ATOM 801 O ALA A 59 -5.061 9.513 -2.691 1.00 1.00 O ATOM 802 CB ALA A 59 -4.722 8.163 -0.340 1.00 1.00 C ATOM 0 H ALA A 59 -7.260 7.193 -0.696 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.944 9.812 0.024 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.876 8.775 -0.651 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.616 7.907 0.714 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.747 7.249 -0.934 1.00 1.00 H new ATOM 808 N LYS A 60 -7.202 8.773 -2.782 1.00 1.00 N ATOM 809 CA LYS A 60 -7.240 8.760 -4.160 1.00 1.00 C ATOM 810 C LYS A 60 -7.117 10.034 -4.754 1.00 1.00 C ATOM 811 O LYS A 60 -6.442 10.253 -5.692 1.00 1.00 O ATOM 812 CB LYS A 60 -8.629 8.112 -4.646 1.00 1.00 C ATOM 813 CG LYS A 60 -9.122 7.151 -3.548 1.00 1.00 C ATOM 814 CD LYS A 60 -10.262 6.205 -4.082 1.00 1.00 C ATOM 815 CE LYS A 60 -11.633 6.942 -4.003 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.171 6.823 -2.624 1.00 1.00 N ATOM 0 H LYS A 60 -8.064 8.479 -2.323 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.378 8.174 -4.478 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.369 8.891 -4.829 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.491 7.577 -5.585 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.288 6.550 -3.187 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.492 7.725 -2.699 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.054 5.913 -5.111 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.295 5.290 -3.491 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.511 7.992 -4.270 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.333 6.511 -4.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.086 7.313 -2.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.300 5.819 -2.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.504 7.254 -1.953 1.00 1.00 H new ATOM 872 N PRO A 65 -7.493 13.772 -0.082 1.00 1.00 N ATOM 873 CA PRO A 65 -7.195 12.674 0.779 1.00 1.00 C ATOM 874 C PRO A 65 -5.735 12.493 0.876 1.00 1.00 C ATOM 875 O PRO A 65 -5.002 13.317 0.435 1.00 1.00 O ATOM 876 CB PRO A 65 -7.944 11.448 0.134 1.00 1.00 C ATOM 877 CG PRO A 65 -8.957 12.086 -0.642 1.00 1.00 C ATOM 878 CD PRO A 65 -8.258 13.344 -1.177 1.00 1.00 C ATOM 0 HA PRO A 65 -7.527 12.817 1.807 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.279 10.844 -0.483 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.367 10.786 0.890 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.306 11.445 -1.452 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.828 12.337 -0.037 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.634 13.121 -2.042 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.976 14.103 -1.488 1.00 1.00 H new ATOM 886 N ASN A 66 -5.324 11.522 1.538 1.00 1.00 N ATOM 887 CA ASN A 66 -3.813 11.369 1.769 1.00 1.00 C ATOM 888 C ASN A 66 -3.057 11.621 0.487 1.00 1.00 C ATOM 889 O ASN A 66 -1.877 11.946 0.499 1.00 1.00 O ATOM 890 CB ASN A 66 -3.425 9.976 2.332 1.00 1.00 C ATOM 891 CG ASN A 66 -2.570 10.107 3.629 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.591 9.218 4.480 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.821 11.163 3.805 1.00 1.00 N ATOM 0 H ASN A 66 -5.911 10.799 1.953 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.539 12.112 2.518 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.328 9.403 2.545 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.865 9.420 1.580 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.253 11.251 4.648 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.804 11.899 3.099 1.00 1.00 H new ATOM 900 N ARG A 67 -3.814 11.456 -0.614 1.00 1.00 N ATOM 901 CA ARG A 67 -3.350 11.660 -2.001 1.00 1.00 C ATOM 902 C ARG A 67 -2.532 10.543 -2.534 1.00 1.00 C ATOM 903 O ARG A 67 -1.444 10.303 -2.094 1.00 1.00 O ATOM 904 CB ARG A 67 -2.546 12.973 -2.114 1.00 1.00 C ATOM 905 CG ARG A 67 -3.495 14.147 -2.106 1.00 1.00 C ATOM 906 CD ARG A 67 -3.888 14.486 -3.522 1.00 1.00 C ATOM 907 NE ARG A 67 -2.827 15.313 -4.193 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.379 16.509 -3.686 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.905 17.025 -2.604 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.431 17.148 -4.301 1.00 1.00 N ATOM 0 H ARG A 67 -4.792 11.169 -0.563 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.255 11.708 -2.606 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.843 13.054 -1.285 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.958 12.974 -3.032 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.382 13.908 -1.519 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.022 15.007 -1.633 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -4.051 13.568 -4.088 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.832 15.031 -3.521 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.421 14.971 -5.064 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.661 16.538 -2.122 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.559 17.914 -2.243 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -1.025 16.762 -5.153 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.092 18.036 -3.932 1.00 1.00 H new ATOM 924 N CYS A 68 -3.033 9.977 -3.576 1.00 1.00 N ATOM 925 CA CYS A 68 -2.372 8.980 -4.320 1.00 1.00 C ATOM 926 C CYS A 68 -2.966 9.052 -5.560 1.00 1.00 C ATOM 927 O CYS A 68 -2.512 9.812 -6.415 1.00 1.00 O ATOM 928 CB CYS A 68 -2.423 7.532 -3.630 1.00 1.00 C ATOM 929 SG CYS A 68 -4.054 7.034 -3.076 1.00 1.00 S ATOM 0 H CYS A 68 -3.955 10.212 -3.943 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.296 9.144 -4.386 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.051 6.792 -4.339 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -1.745 7.525 -2.777 1.00 1.00 H new ATOM 934 N SER A 69 -3.950 8.332 -5.732 1.00 1.00 N ATOM 935 CA SER A 69 -4.681 8.326 -6.948 1.00 1.00 C ATOM 936 C SER A 69 -4.107 7.395 -7.945 1.00 1.00 C ATOM 937 O SER A 69 -4.832 6.823 -8.758 1.00 1.00 O ATOM 938 CB SER A 69 -4.760 9.774 -7.615 1.00 1.00 C ATOM 939 OG SER A 69 -3.775 9.875 -8.646 1.00 1.00 O ATOM 0 H SER A 69 -4.312 7.692 -5.025 1.00 1.00 H new ATOM 0 HA SER A 69 -5.682 7.995 -6.673 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.754 9.942 -8.029 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.594 10.544 -6.861 1.00 1.00 H new ATOM 0 HG SER A 69 -2.882 9.911 -8.243 1.00 1.00 H new ATOM 945 N ASN A 70 -2.774 7.322 -7.985 1.00 1.00 N ATOM 946 CA ASN A 70 -2.095 6.532 -9.035 1.00 1.00 C ATOM 947 C ASN A 70 -1.544 5.335 -8.554 1.00 1.00 C ATOM 948 O ASN A 70 -1.655 4.310 -9.209 1.00 1.00 O ATOM 949 CB ASN A 70 -0.981 7.368 -9.655 1.00 1.00 C ATOM 950 CG ASN A 70 -1.541 8.670 -10.186 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.224 9.740 -9.668 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.361 8.649 -11.194 1.00 1.00 N ATOM 0 H ASN A 70 -2.150 7.785 -7.324 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.854 6.270 -9.773 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.211 7.571 -8.911 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.505 6.812 -10.463 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.744 9.521 -11.558 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.622 7.760 -11.621 1.00 1.00 H new ATOM 959 N SER A 71 -0.966 5.394 -7.398 1.00 1.00 N ATOM 960 CA SER A 71 -0.372 4.172 -6.778 1.00 1.00 C ATOM 961 C SER A 71 0.680 4.464 -5.548 1.00 1.00 C ATOM 962 O SER A 71 1.758 3.889 -5.531 1.00 1.00 O ATOM 963 CB SER A 71 0.340 3.359 -7.892 1.00 1.00 C ATOM 964 OG SER A 71 1.432 2.627 -7.360 1.00 1.00 O ATOM 0 H SER A 71 -0.874 6.244 -6.842 1.00 1.00 H new ATOM 0 HA SER A 71 -1.195 3.618 -6.326 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.369 2.676 -8.359 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.694 4.034 -8.672 1.00 1.00 H new ATOM 0 HG SER A 71 1.288 2.474 -6.403 1.00 1.00 H new ATOM 970 N LYS A 72 0.415 5.503 -4.637 1.00 1.00 N ATOM 971 CA LYS A 72 1.501 5.897 -3.638 1.00 1.00 C ATOM 972 C LYS A 72 1.097 6.375 -2.350 1.00 1.00 C ATOM 973 O LYS A 72 1.723 7.250 -1.794 1.00 1.00 O ATOM 974 CB LYS A 72 2.223 7.211 -4.338 1.00 1.00 C ATOM 975 CG LYS A 72 1.226 8.381 -4.534 1.00 1.00 C ATOM 976 CD LYS A 72 1.940 9.745 -4.239 1.00 1.00 C ATOM 977 CE LYS A 72 1.013 10.917 -4.589 1.00 1.00 C ATOM 978 NZ LYS A 72 1.762 12.194 -4.444 1.00 1.00 N ATOM 0 H LYS A 72 -0.455 6.032 -4.579 1.00 1.00 H new ATOM 0 HA LYS A 72 2.080 4.992 -3.453 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.055 7.543 -3.716 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.641 6.925 -5.303 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.841 8.375 -5.554 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.371 8.257 -3.870 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.221 9.796 -3.187 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.860 9.815 -4.819 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.644 10.812 -5.609 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.142 10.916 -3.933 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.138 12.991 -4.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.093 12.293 -3.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.579 12.192 -5.087 1.00 1.00 H new ATOM 992 N GLN A 73 0.117 5.967 -1.959 1.00 1.00 N ATOM 993 CA GLN A 73 -0.504 6.476 -0.706 1.00 1.00 C ATOM 994 C GLN A 73 -1.925 6.023 -0.649 1.00 1.00 C ATOM 995 O GLN A 73 -2.715 6.738 -0.262 1.00 1.00 O ATOM 996 CB GLN A 73 -0.553 8.167 -0.765 1.00 1.00 C ATOM 997 CG GLN A 73 0.208 8.814 0.360 1.00 1.00 C ATOM 998 CD GLN A 73 -0.349 8.378 1.723 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.104 7.412 1.813 1.00 1.00 O ATOM 1000 NE2 GLN A 73 -0.025 9.055 2.792 1.00 1.00 N ATOM 0 H GLN A 73 -0.415 5.230 -2.421 1.00 1.00 H new ATOM 0 HA GLN A 73 0.070 6.116 0.148 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.142 8.504 -1.716 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.591 8.497 -0.732 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.262 8.547 0.292 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.148 9.898 0.268 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.601 9.857 2.718 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.398 8.782 3.701 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.217 4.824 -0.960 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.713 4.346 -0.844 1.00 1.00 C ATOM 1011 C CYS A 74 -3.754 3.382 0.296 1.00 1.00 C ATOM 1012 O CYS A 74 -3.024 3.634 1.224 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.144 3.798 -2.244 1.00 1.00 C ATOM 1014 SG CYS A 74 -4.139 5.125 -3.691 1.00 1.00 S ATOM 0 H CYS A 74 -1.553 4.122 -1.287 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.440 5.124 -0.613 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.477 2.981 -2.519 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.146 3.378 -2.160 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.669 2.255 0.361 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.663 1.412 1.727 1.00 1.00 C ATOM 1021 C ASP A 75 -3.955 0.086 1.669 1.00 1.00 C ATOM 1022 O ASP A 75 -2.737 0.038 1.835 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.177 1.397 2.262 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.336 0.561 3.411 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.215 -0.518 3.261 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.596 1.072 4.472 1.00 1.00 O ATOM 0 H ASP A 75 -5.311 1.948 -0.370 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.029 1.899 2.468 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.483 2.413 2.509 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.838 1.049 1.468 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.660 -0.975 1.484 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.994 -2.308 1.472 1.00 1.00 C ATOM 1033 C GLY A 76 -4.629 -3.352 0.585 1.00 1.00 C ATOM 1034 O GLY A 76 -3.942 -4.231 0.144 1.00 1.00 O ATOM 0 H GLY A 76 -5.670 -0.989 1.339 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.959 -2.173 1.159 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.971 -2.691 2.492 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.884 -3.244 0.285 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.538 -4.215 -0.592 1.00 1.00 C ATOM 1040 C ALA A 77 -7.174 -3.506 -1.776 1.00 1.00 C ATOM 1041 O ALA A 77 -8.339 -3.773 -2.103 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.660 -4.885 0.172 1.00 1.00 C ATOM 0 H ALA A 77 -6.493 -2.500 0.625 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.793 -4.934 -0.932 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.155 -5.612 -0.472 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.252 -5.393 1.046 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.381 -4.133 0.493 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.486 -2.515 -2.342 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.056 -1.700 -3.355 1.00 1.00 C ATOM 1050 C ARG A 78 -6.254 -1.718 -4.548 1.00 1.00 C ATOM 1051 O ARG A 78 -5.188 -2.264 -4.546 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.131 -0.376 -2.797 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.041 -0.432 -1.529 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.382 0.937 -1.145 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.267 1.551 -2.163 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.572 1.805 -1.927 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.115 1.497 -0.776 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.295 2.357 -2.855 1.00 1.00 N ATOM 0 H ARG A 78 -5.526 -2.275 -2.097 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.041 -2.062 -3.650 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.136 -0.017 -2.535 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.540 0.322 -3.528 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.945 -1.004 -1.736 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.524 -0.937 -0.713 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.878 0.937 -0.174 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.473 1.529 -1.038 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.876 1.790 -3.074 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.551 1.061 -0.047 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.102 1.694 -0.609 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.876 2.595 -3.754 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.282 2.552 -2.684 1.00 1.00 H new ATOM 1072 N THR A 79 -6.739 -1.110 -5.660 1.00 1.00 N ATOM 1073 CA THR A 79 -5.993 -1.131 -6.800 1.00 1.00 C ATOM 1074 C THR A 79 -6.212 0.021 -7.585 1.00 1.00 C ATOM 1075 O THR A 79 -6.762 -0.064 -8.582 1.00 1.00 O ATOM 1076 CB THR A 79 -6.239 -2.413 -7.549 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.410 -3.480 -6.620 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.034 -2.696 -8.427 1.00 1.00 C ATOM 0 H THR A 79 -7.634 -0.625 -5.725 1.00 1.00 H new ATOM 0 HA THR A 79 -4.936 -1.107 -6.535 1.00 1.00 H new ATOM 0 HB THR A 79 -7.137 -2.324 -8.161 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.571 -4.315 -7.107 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.195 -3.623 -8.978 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.895 -1.875 -9.130 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.145 -2.794 -7.804 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.605 1.185 -7.075 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.579 2.472 -7.759 1.00 1.00 C ATOM 1088 C CYS A 80 -6.186 2.533 -9.040 1.00 1.00 C ATOM 1089 O CYS A 80 -5.674 3.179 -9.963 1.00 1.00 O ATOM 1090 CB CYS A 80 -4.109 2.972 -7.824 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.935 4.565 -6.594 1.00 1.00 S ATOM 0 H CYS A 80 -5.132 1.204 -6.171 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.211 3.126 -7.159 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.424 2.180 -7.521 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.845 3.248 -8.845 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.345 0.591 -5.470 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.390 1.489 -4.518 1.00 1.00 C ATOM 1138 C PHE A 85 -4.829 1.869 -4.404 1.00 1.00 C ATOM 1139 O PHE A 85 -5.429 1.429 -3.560 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.410 2.557 -4.831 1.00 1.00 C ATOM 1141 CG PHE A 85 -0.973 2.126 -4.415 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.522 2.333 -3.107 1.00 1.00 C ATOM 1143 CD2 PHE A 85 -0.128 1.533 -5.357 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.777 1.946 -2.739 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.173 1.143 -4.992 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.623 1.351 -3.680 1.00 1.00 C ATOM 0 HA PHE A 85 -3.081 1.157 -3.527 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.434 2.778 -5.898 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.685 3.474 -4.310 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.174 2.791 -2.378 1.00 1.00 H new ATOM 0 HD2 PHE A 85 -0.475 1.374 -6.367 1.00 1.00 H new ATOM 0 HE1 PHE A 85 1.123 2.108 -1.729 1.00 1.00 H new ATOM 0 HE2 PHE A 85 1.825 0.684 -5.721 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.621 1.052 -3.397 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.369 2.753 -5.204 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.901 3.178 -4.974 1.00 1.00 C ATOM 1158 C CYS A 86 -7.996 2.849 -5.995 1.00 1.00 C ATOM 1159 O CYS A 86 -8.041 3.310 -7.132 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.958 4.574 -4.711 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.950 5.484 -6.183 1.00 1.00 S ATOM 0 H CYS A 86 -4.895 3.211 -5.983 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.164 2.515 -4.150 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.991 4.919 -4.680 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.516 4.803 -3.741 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.981 1.987 -5.435 1.00 1.00 N ATOM 1167 CA GLN A 87 -10.109 1.546 -6.147 1.00 1.00 C ATOM 1168 C GLN A 87 -10.799 0.297 -5.481 1.00 1.00 C ATOM 1169 O GLN A 87 -12.026 0.185 -5.486 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.663 1.251 -7.562 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.422 0.067 -8.165 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.883 -1.269 -7.608 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.840 -1.295 -6.954 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.538 -2.375 -7.840 1.00 1.00 N ATOM 0 H GLN A 87 -8.934 1.632 -4.480 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.871 2.325 -6.140 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.816 2.134 -8.182 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.594 1.038 -7.569 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.485 0.158 -7.940 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.323 0.080 -9.250 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.402 -2.352 -8.382 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.186 -3.262 -7.479 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.021 -0.601 -4.982 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.583 -1.828 -4.381 1.00 1.00 C ATOM 1185 C GLY A 88 -11.412 -1.572 -3.120 1.00 1.00 C ATOM 1186 O GLY A 88 -12.414 -0.851 -3.148 1.00 1.00 O ATOM 0 H GLY A 88 -9.003 -0.539 -4.963 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.207 -2.331 -5.120 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.767 -2.509 -4.137 1.00 1.00 H new ATOM 1190 N THR A 89 -11.032 -2.264 -2.046 1.00 1.00 N ATOM 1191 CA THR A 89 -11.776 -2.231 -0.785 1.00 1.00 C ATOM 1192 C THR A 89 -10.976 -1.953 0.475 1.00 1.00 C ATOM 1193 O THR A 89 -11.338 -1.060 1.231 1.00 1.00 O ATOM 1194 CB THR A 89 -12.526 -3.623 -0.690 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.804 -3.417 -0.102 1.00 1.00 O ATOM 1196 CG2 THR A 89 -11.765 -4.692 0.143 1.00 1.00 C ATOM 0 H THR A 89 -10.205 -2.860 -2.024 1.00 1.00 H new ATOM 0 HA THR A 89 -12.447 -1.373 -0.819 1.00 1.00 H new ATOM 0 HB THR A 89 -12.599 -4.007 -1.707 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.277 -4.273 -0.040 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.342 -5.617 0.162 1.00 1.00 H new ATOM 0 HG22 THR A 89 -10.791 -4.880 -0.309 1.00 1.00 H new ATOM 0 HG23 THR A 89 -11.628 -4.329 1.162 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.048 -2.769 0.769 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.348 -2.702 2.019 1.00 1.00 C ATOM 1206 C ALA A 90 -10.158 -3.610 2.953 1.00 1.00 C ATOM 1207 O ALA A 90 -11.348 -3.413 3.206 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.191 -1.305 2.607 1.00 1.00 C ATOM 0 H ALA A 90 -9.735 -3.519 0.153 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.314 -3.017 1.879 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.649 -1.366 3.550 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.637 -0.677 1.910 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.176 -0.871 2.782 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.460 -4.529 3.463 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.037 -5.585 4.510 1.00 1.00 C ATOM 1216 C GLY A 91 -8.876 -6.336 5.599 1.00 1.00 C ATOM 1217 O GLY A 91 -9.284 -6.909 6.590 1.00 1.00 O ATOM 0 H GLY A 91 -8.473 -4.666 3.244 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.795 -5.086 5.113 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.541 -6.375 3.953 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.489 -6.193 5.345 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.318 -6.752 6.331 1.00 1.00 C ATOM 1223 C HIS A 92 -6.308 -8.251 6.610 1.00 1.00 C ATOM 1224 O HIS A 92 -7.326 -8.768 7.066 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.496 -6.059 7.777 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.467 -6.805 8.697 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.782 -6.413 8.851 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.296 -7.863 9.529 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.344 -7.227 9.750 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.480 -8.135 10.195 1.00 1.00 N ATOM 0 H HIS A 92 -7.126 -5.723 4.515 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.396 -6.516 5.799 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.523 -5.997 8.263 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.850 -5.037 7.640 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.241 -5.642 8.366 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.374 -8.412 9.654 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.372 -7.156 10.075 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.227 -8.979 6.378 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.282 -10.509 6.712 1.00 1.00 C ATOM 1241 C ALA A 93 -4.697 -10.753 8.101 1.00 1.00 C ATOM 1242 O ALA A 93 -3.539 -11.152 8.235 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.467 -11.414 5.665 1.00 1.00 C ATOM 0 H ALA A 93 -4.346 -8.634 5.996 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.332 -10.796 6.661 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.545 -12.462 5.953 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -4.883 -11.280 4.667 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.419 -11.115 5.664 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.502 -10.521 9.130 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.044 -10.727 10.510 1.00 1.00 C ATOM 1251 C ALA A 94 -4.316 -12.062 10.625 1.00 1.00 C ATOM 1252 O ALA A 94 -4.987 -13.066 10.802 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.266 -10.714 11.501 1.00 1.00 C ATOM 0 H ALA A 94 -6.464 -10.194 9.044 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.363 -9.917 10.771 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.910 -10.868 12.520 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.777 -9.753 11.436 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.959 -11.512 11.234 1.00 1.00 H new