USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 746 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 65 ASN : amide:sc= 0.656 K(o=1.5,f=-1.4!) USER MOD Set 1.2: A 110 THR OG1 : rot -4:sc= 0.872 USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= -0.682 F(o=-0.36,f=0.41) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 1.09 K(o=0.41,f=-4.8!) USER MOD Set 3.1: A 35 SER OG : rot 45:sc= 1.05 USER MOD Set 3.2: A 56 ASN : amide:sc= 0.587 K(o=1.6,f=-11!) USER MOD Set 4.1: A 25 THR OG1 : rot -15:sc= 1.06 USER MOD Set 4.2: A 46 GLN : amide:sc= 1.34 K(o=2.4,f=-3.6) USER MOD Set 5.1: A 14 SER OG : rot 129:sc= 1.1 USER MOD Set 5.2: A 67 SER OG : rot 87:sc= 2.21 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 161:sc= 1.23 USER MOD Single : A 33 HIS : no HE2:sc= 0.54 K(o=0.54,f=-2.4!) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00387 USER MOD Single : A 37 ASN : amide:sc= -0.46 K(o=-0.46,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -12:sc= 0.0442 USER MOD Single : A 42 GLN : amide:sc= 1.08 K(o=1.1,f=-0.063) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 51:sc= 0.508 USER MOD Single : A 60 THR OG1 : rot 42:sc= 0.0591 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00973 K(o=-0.0097,f=-1.4!) USER MOD Single : A 98 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -160:sc= 0 (180deg=-0.136) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 20:sc= 1.3 USER MOD Single : A 112 ASN : amide:sc= -0.655 K(o=-0.65,f=-14!) USER MOD Single : A 113 LYS NZ :NH3+ -123:sc= 0.534 (180deg=-0.272) USER MOD Single : A 114 ASN : amide:sc= 2.06 K(o=2.1,f=-9.9!) USER MOD Single : A 115 ASN : amide:sc= 0.549 K(o=0.55,f=-16!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 123 LYS NZ :NH3+ -113:sc= 1.22 (180deg=-0.41) USER MOD Single : A 125 THR OG1 : rot 71:sc= 1.3 USER MOD Single : A 127 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 14 3.883 1.115 0.759 1.00 0.00 N ATOM 17 CA SER A 14 4.223 2.485 1.127 1.00 0.00 C ATOM 18 C SER A 14 4.477 3.340 -0.108 1.00 0.00 C ATOM 19 O SER A 14 4.402 4.567 -0.051 1.00 0.00 O ATOM 20 CB SER A 14 5.446 2.497 2.022 1.00 0.00 C ATOM 21 OG SER A 14 6.582 2.060 1.327 1.00 0.00 O ATOM 0 HA SER A 14 3.376 2.908 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.613 3.505 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.275 1.855 2.886 1.00 0.00 H new ATOM 0 HG SER A 14 7.306 2.710 1.443 1.00 0.00 H new ATOM 27 N TRP A 15 4.779 2.684 -1.224 1.00 0.00 N ATOM 28 CA TRP A 15 5.025 3.382 -2.480 1.00 0.00 C ATOM 29 C TRP A 15 3.787 4.138 -2.942 1.00 0.00 C ATOM 30 O TRP A 15 3.873 5.042 -3.773 1.00 0.00 O ATOM 31 CB TRP A 15 5.458 2.393 -3.564 1.00 0.00 C ATOM 32 CG TRP A 15 4.446 1.321 -3.833 1.00 0.00 C ATOM 33 CD1 TRP A 15 4.454 0.049 -3.343 1.00 0.00 C ATOM 34 CD2 TRP A 15 3.263 1.422 -4.663 1.00 0.00 C ATOM 35 NE1 TRP A 15 3.366 -0.645 -3.809 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.625 0.180 -4.617 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.704 2.452 -5.429 1.00 0.00 C ATOM 38 CZ2 TRP A 15 1.451 -0.068 -5.310 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.525 2.205 -6.124 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.915 0.977 -6.065 1.00 0.00 C ATOM 0 H TRP A 15 4.859 1.669 -1.284 1.00 0.00 H new ATOM 0 HA TRP A 15 5.825 4.102 -2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.651 2.939 -4.487 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.398 1.928 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.208 -0.354 -2.683 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.144 -1.616 -3.590 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.180 3.420 -5.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.969 -1.033 -5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.083 2.991 -6.719 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.000 0.815 -6.615 1.00 0.00 H new ATOM 51 N VAL A 16 2.633 3.763 -2.399 1.00 0.00 N ATOM 52 CA VAL A 16 1.382 4.444 -2.710 1.00 0.00 C ATOM 53 C VAL A 16 1.420 5.898 -2.257 1.00 0.00 C ATOM 54 O VAL A 16 0.916 6.786 -2.945 1.00 0.00 O ATOM 55 CB VAL A 16 0.201 3.728 -2.030 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.072 4.550 -2.169 1.00 0.00 C ATOM 57 CG2 VAL A 16 0.017 2.344 -2.634 1.00 0.00 C ATOM 0 H VAL A 16 2.539 2.990 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 16 1.250 4.419 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 16 0.418 3.619 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.897 4.029 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.930 5.523 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.303 4.688 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.820 1.843 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.185 2.437 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.925 1.759 -2.486 1.00 0.00 H new ATOM 67 N SER A 17 2.019 6.135 -1.095 1.00 0.00 N ATOM 68 CA SER A 17 2.079 7.475 -0.524 1.00 0.00 C ATOM 69 C SER A 17 2.800 8.440 -1.456 1.00 0.00 C ATOM 70 O SER A 17 2.445 9.615 -1.545 1.00 0.00 O ATOM 71 CB SER A 17 2.779 7.438 0.821 1.00 0.00 C ATOM 72 OG SER A 17 2.016 6.741 1.766 1.00 0.00 O ATOM 0 H SER A 17 2.470 5.416 -0.530 1.00 0.00 H new ATOM 0 HA SER A 17 1.057 7.829 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.754 6.963 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.956 8.455 1.171 1.00 0.00 H new ATOM 0 HG SER A 17 2.489 6.730 2.624 1.00 0.00 H new ATOM 78 N CYS A 18 3.815 7.936 -2.150 1.00 0.00 N ATOM 79 CA CYS A 18 4.590 8.753 -3.076 1.00 0.00 C ATOM 80 C CYS A 18 3.711 9.310 -4.189 1.00 0.00 C ATOM 81 O CYS A 18 4.004 10.361 -4.758 1.00 0.00 O ATOM 82 CB CYS A 18 5.727 7.937 -3.692 1.00 0.00 C ATOM 83 SG CYS A 18 7.035 7.494 -2.524 1.00 0.00 S ATOM 0 H CYS A 18 4.120 6.965 -2.088 1.00 0.00 H new ATOM 0 HA CYS A 18 5.006 9.584 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.314 7.024 -4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.165 8.505 -4.513 1.00 0.00 H new ATOM 88 N LEU A 19 2.631 8.598 -4.495 1.00 0.00 N ATOM 89 CA LEU A 19 1.749 8.977 -5.592 1.00 0.00 C ATOM 90 C LEU A 19 0.486 9.652 -5.075 1.00 0.00 C ATOM 91 O LEU A 19 -0.431 9.945 -5.842 1.00 0.00 O ATOM 92 CB LEU A 19 1.374 7.742 -6.421 1.00 0.00 C ATOM 93 CG LEU A 19 2.546 6.990 -7.064 1.00 0.00 C ATOM 94 CD1 LEU A 19 2.023 5.761 -7.794 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.283 7.920 -8.017 1.00 0.00 C ATOM 0 H LEU A 19 2.346 7.754 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 19 2.285 9.687 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.830 7.049 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.689 8.052 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 19 3.245 6.661 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.856 5.227 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.516 5.105 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.321 6.069 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.116 7.386 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.599 8.260 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.662 8.780 -7.465 1.00 0.00 H new ATOM 107 N ASP A 20 0.444 9.898 -3.770 1.00 0.00 N ATOM 108 CA ASP A 20 -0.701 10.554 -3.150 1.00 0.00 C ATOM 109 C ASP A 20 -0.507 12.064 -3.096 1.00 0.00 C ATOM 110 O ASP A 20 0.609 12.562 -3.238 1.00 0.00 O ATOM 111 CB ASP A 20 -0.930 10.012 -1.737 1.00 0.00 C ATOM 112 CG ASP A 20 -1.522 8.609 -1.730 1.00 0.00 C ATOM 113 OD1 ASP A 20 -2.107 8.227 -2.715 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.382 7.932 -0.739 1.00 0.00 O1- ATOM 0 H ASP A 20 1.191 9.652 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.577 10.339 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.018 10.004 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.597 10.685 -1.199 1.00 0.00 H new ATOM 119 N PRO A 21 -1.602 12.789 -2.889 1.00 0.00 N ATOM 120 CA PRO A 21 -1.543 14.237 -2.731 1.00 0.00 C ATOM 121 C PRO A 21 -0.524 14.635 -1.672 1.00 0.00 C ATOM 122 O PRO A 21 -0.484 14.056 -0.586 1.00 0.00 O ATOM 123 CB PRO A 21 -2.971 14.595 -2.304 1.00 0.00 C ATOM 124 CG PRO A 21 -3.815 13.534 -2.925 1.00 0.00 C ATOM 125 CD PRO A 21 -2.996 12.278 -2.792 1.00 0.00 C ATOM 0 HA PRO A 21 -1.227 14.757 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.073 14.600 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.255 15.587 -2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.773 13.439 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.031 13.759 -3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.178 11.774 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.221 11.561 -3.582 1.00 0.00 H new ATOM 133 N GLU A 22 0.300 15.626 -1.994 1.00 0.00 N ATOM 134 CA GLU A 22 1.388 16.035 -1.113 1.00 0.00 C ATOM 135 C GLU A 22 0.864 16.430 0.262 1.00 0.00 C ATOM 136 O GLU A 22 -0.203 17.032 0.381 1.00 0.00 O ATOM 137 CB GLU A 22 2.163 17.202 -1.729 1.00 0.00 C ATOM 138 CG GLU A 22 3.011 16.827 -2.936 1.00 0.00 C ATOM 139 CD GLU A 22 2.224 16.787 -4.216 1.00 0.00 C ATOM 140 OE1 GLU A 22 1.044 17.039 -4.173 1.00 0.00 O ATOM 141 OE2 GLU A 22 2.803 16.505 -5.238 1.00 0.00 O1- ATOM 0 H GLU A 22 0.235 16.162 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 22 2.058 15.184 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.455 17.977 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.810 17.635 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.825 17.545 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.466 15.851 -2.765 1.00 0.00 H new ATOM 148 N GLN A 23 1.622 16.087 1.298 1.00 0.00 N ATOM 149 CA GLN A 23 1.349 16.582 2.643 1.00 0.00 C ATOM 150 C GLN A 23 1.577 18.085 2.733 1.00 0.00 C ATOM 151 O GLN A 23 2.631 18.588 2.343 1.00 0.00 O ATOM 152 CB GLN A 23 2.226 15.858 3.668 1.00 0.00 C ATOM 153 CG GLN A 23 2.204 16.478 5.054 1.00 0.00 C ATOM 154 CD GLN A 23 0.851 16.344 5.726 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.287 17.471 6.148 1.00 0.00 O flip ATOM 156 NE2 GLN A 23 0.317 15.240 5.866 1.00 0.00 N flip ATOM 0 H GLN A 23 2.430 15.468 1.232 1.00 0.00 H new ATOM 0 HA GLN A 23 0.301 16.381 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.899 14.821 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.254 15.844 3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.963 16.002 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.468 17.533 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.786 14.400 5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.593 15.168 6.321 1.00 0.00 H new ATOM 165 N VAL A 24 0.583 18.799 3.250 1.00 0.00 N ATOM 166 CA VAL A 24 0.643 20.254 3.325 1.00 0.00 C ATOM 167 C VAL A 24 1.619 20.710 4.402 1.00 0.00 C ATOM 168 O VAL A 24 1.578 20.228 5.535 1.00 0.00 O ATOM 169 CB VAL A 24 -0.753 20.832 3.623 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.672 22.335 3.840 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.704 20.502 2.483 1.00 0.00 C ATOM 0 H VAL A 24 -0.275 18.393 3.624 1.00 0.00 H new ATOM 0 HA VAL A 24 0.992 20.621 2.360 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.135 20.379 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.667 22.727 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.014 22.546 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.276 22.811 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.689 20.914 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.326 20.935 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.779 19.420 2.373 1.00 0.00 H new ATOM 181 N THR A 25 2.495 21.642 4.044 1.00 0.00 N ATOM 182 CA THR A 25 3.421 22.232 5.002 1.00 0.00 C ATOM 183 C THR A 25 2.674 22.922 6.136 1.00 0.00 C ATOM 184 O THR A 25 1.751 23.702 5.900 1.00 0.00 O ATOM 185 CB THR A 25 4.364 23.238 4.316 1.00 0.00 C ATOM 186 OG1 THR A 25 5.079 22.583 3.260 1.00 0.00 O ATOM 187 CG2 THR A 25 5.356 23.809 5.317 1.00 0.00 C ATOM 0 H THR A 25 2.583 22.006 3.095 1.00 0.00 H new ATOM 0 HA THR A 25 4.016 21.419 5.417 1.00 0.00 H new ATOM 0 HB THR A 25 3.766 24.053 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.002 21.612 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.014 24.518 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.816 24.319 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.951 23.000 5.741 1.00 0.00 H new ATOM 195 N CYS A 26 3.079 22.632 7.368 1.00 0.00 N ATOM 196 CA CYS A 26 2.370 23.122 8.543 1.00 0.00 C ATOM 197 C CYS A 26 3.217 24.121 9.321 1.00 0.00 C ATOM 198 O CYS A 26 4.424 23.936 9.479 1.00 0.00 O ATOM 199 CB CYS A 26 1.986 21.963 9.463 1.00 0.00 C ATOM 200 SG CYS A 26 0.938 22.442 10.857 1.00 0.00 S ATOM 0 H CYS A 26 3.896 22.059 7.578 1.00 0.00 H new ATOM 0 HA CYS A 26 1.467 23.623 8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.468 21.204 8.877 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.896 21.502 9.848 1.00 0.00 H new ATOM 263 N GLY A 31 8.216 19.255 14.448 1.00 0.00 N ATOM 264 CA GLY A 31 8.981 18.248 13.723 1.00 0.00 C ATOM 265 C GLY A 31 8.824 18.416 12.217 1.00 0.00 C ATOM 266 O GLY A 31 8.118 19.311 11.753 1.00 0.00 O ATOM 0 HA2 GLY A 31 10.034 18.324 13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.648 17.253 14.017 1.00 0.00 H new ATOM 270 N THR A 32 9.485 17.549 11.458 1.00 0.00 N ATOM 271 CA THR A 32 9.460 17.630 10.002 1.00 0.00 C ATOM 272 C THR A 32 9.034 16.305 9.384 1.00 0.00 C ATOM 273 O THR A 32 8.793 15.328 10.092 1.00 0.00 O ATOM 274 CB THR A 32 10.836 18.041 9.446 1.00 0.00 C ATOM 275 OG1 THR A 32 11.779 16.984 9.667 1.00 0.00 O ATOM 276 CG2 THR A 32 11.331 19.307 10.129 1.00 0.00 C ATOM 0 H THR A 32 10.045 16.781 11.827 1.00 0.00 H new ATOM 0 HA THR A 32 8.729 18.393 9.734 1.00 0.00 H new ATOM 0 HB THR A 32 10.737 18.232 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.543 17.095 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.305 19.582 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.622 20.116 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.421 19.131 11.201 1.00 0.00 H new ATOM 284 N HIS A 33 8.943 16.279 8.059 1.00 0.00 N ATOM 285 CA HIS A 33 8.588 15.061 7.339 1.00 0.00 C ATOM 286 C HIS A 33 9.151 15.073 5.924 1.00 0.00 C ATOM 287 O HIS A 33 9.498 16.128 5.393 1.00 0.00 O ATOM 288 CB HIS A 33 7.067 14.887 7.288 1.00 0.00 C ATOM 289 CG HIS A 33 6.360 15.981 6.550 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.887 17.115 7.176 1.00 0.00 N ATOM 291 CD2 HIS A 33 6.046 16.115 5.240 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.312 17.900 6.281 1.00 0.00 C ATOM 293 NE2 HIS A 33 5.395 17.316 5.100 1.00 0.00 N ATOM 0 H HIS A 33 9.110 17.088 7.461 1.00 0.00 H new ATOM 0 HA HIS A 33 9.026 14.221 7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.835 13.933 6.815 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.681 14.840 8.306 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.968 17.316 8.173 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.266 15.409 4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.852 18.856 6.482 1.00 0.00 H new ATOM 301 N ALA A 34 9.240 13.894 5.318 1.00 0.00 N ATOM 302 CA ALA A 34 9.649 13.779 3.923 1.00 0.00 C ATOM 303 C ALA A 34 8.461 13.457 3.026 1.00 0.00 C ATOM 304 O ALA A 34 7.593 12.663 3.390 1.00 0.00 O ATOM 305 CB ALA A 34 10.728 12.717 3.773 1.00 0.00 C ATOM 0 H ALA A 34 9.034 13.004 5.771 1.00 0.00 H new ATOM 0 HA ALA A 34 10.056 14.741 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.023 12.643 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.594 12.991 4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.341 11.755 4.110 1.00 0.00 H new ATOM 311 N SER A 35 8.428 14.077 1.851 1.00 0.00 N ATOM 312 CA SER A 35 7.293 13.943 0.946 1.00 0.00 C ATOM 313 C SER A 35 7.738 14.017 -0.509 1.00 0.00 C ATOM 314 O SER A 35 8.629 14.792 -0.857 1.00 0.00 O ATOM 315 CB SER A 35 6.269 15.026 1.227 1.00 0.00 C ATOM 316 OG SER A 35 5.197 14.949 0.328 1.00 0.00 O ATOM 0 H SER A 35 9.175 14.678 1.503 1.00 0.00 H new ATOM 0 HA SER A 35 6.841 12.966 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.900 14.926 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.741 16.006 1.153 1.00 0.00 H new ATOM 0 HG SER A 35 4.916 14.015 0.233 1.00 0.00 H new ATOM 322 N TYR A 36 7.111 13.208 -1.356 1.00 0.00 N ATOM 323 CA TYR A 36 7.432 13.190 -2.779 1.00 0.00 C ATOM 324 C TYR A 36 6.696 14.297 -3.523 1.00 0.00 C ATOM 325 O TYR A 36 5.480 14.233 -3.706 1.00 0.00 O ATOM 326 CB TYR A 36 7.094 11.827 -3.387 1.00 0.00 C ATOM 327 CG TYR A 36 7.463 11.703 -4.848 1.00 0.00 C ATOM 328 CD1 TYR A 36 8.765 11.390 -5.211 1.00 0.00 C ATOM 329 CD2 TYR A 36 6.500 11.901 -5.826 1.00 0.00 C ATOM 330 CE1 TYR A 36 9.102 11.276 -6.546 1.00 0.00 C ATOM 331 CE2 TYR A 36 6.837 11.788 -7.161 1.00 0.00 C ATOM 332 CZ TYR A 36 8.132 11.476 -7.522 1.00 0.00 C ATOM 333 OH TYR A 36 8.467 11.363 -8.851 1.00 0.00 O ATOM 0 H TYR A 36 6.377 12.555 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 36 8.503 13.366 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.611 11.050 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.025 11.644 -3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.515 11.235 -4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.486 12.144 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.115 11.032 -6.830 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.087 11.944 -7.922 1.00 0.00 H new ATOM 0 HH TYR A 36 7.675 11.532 -9.403 1.00 0.00 H new ATOM 343 N ASN A 37 7.440 15.312 -3.950 1.00 0.00 N ATOM 344 CA ASN A 37 6.855 16.450 -4.649 1.00 0.00 C ATOM 345 C ASN A 37 6.706 16.164 -6.138 1.00 0.00 C ATOM 346 O ASN A 37 7.688 16.156 -6.879 1.00 0.00 O ATOM 347 CB ASN A 37 7.687 17.699 -4.425 1.00 0.00 C ATOM 348 CG ASN A 37 7.050 18.929 -5.010 1.00 0.00 C ATOM 349 OD1 ASN A 37 6.323 18.853 -6.007 1.00 0.00 O ATOM 350 ND2 ASN A 37 7.309 20.063 -4.409 1.00 0.00 N ATOM 0 H ASN A 37 8.451 15.369 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 37 5.859 16.620 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.836 17.845 -3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.673 17.559 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.905 20.931 -4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.915 20.079 -3.589 1.00 0.00 H new ATOM 357 N ARG A 38 5.471 15.930 -6.570 1.00 0.00 N ATOM 358 CA ARG A 38 5.212 15.429 -7.914 1.00 0.00 C ATOM 359 C ARG A 38 5.453 16.509 -8.961 1.00 0.00 C ATOM 360 O ARG A 38 5.602 16.215 -10.147 1.00 0.00 O ATOM 361 CB ARG A 38 3.781 14.924 -8.030 1.00 0.00 C ATOM 362 CG ARG A 38 3.463 13.702 -7.184 1.00 0.00 C ATOM 363 CD ARG A 38 2.011 13.389 -7.194 1.00 0.00 C ATOM 364 NE ARG A 38 1.222 14.458 -6.603 1.00 0.00 N ATOM 365 CZ ARG A 38 -0.123 14.517 -6.622 1.00 0.00 C ATOM 366 NH1 ARG A 38 -0.815 13.562 -7.205 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 -0.749 15.533 -6.055 1.00 0.00 N ATOM 0 H ARG A 38 4.633 16.080 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 38 5.903 14.605 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.103 15.729 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.578 14.688 -9.075 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.023 12.845 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.791 13.874 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.683 13.220 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.835 12.463 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 38 1.723 15.217 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.333 12.777 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.834 13.607 -7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.213 16.274 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.768 15.577 -6.070 1.00 0.00 H new ATOM 381 N LYS A 39 5.491 17.760 -8.515 1.00 0.00 N ATOM 382 CA LYS A 39 5.715 18.886 -9.413 1.00 0.00 C ATOM 383 C LYS A 39 7.185 19.000 -9.797 1.00 0.00 C ATOM 384 O LYS A 39 7.531 19.661 -10.776 1.00 0.00 O ATOM 385 CB LYS A 39 5.238 20.189 -8.767 1.00 0.00 C ATOM 386 CG LYS A 39 3.730 20.283 -8.582 1.00 0.00 C ATOM 387 CD LYS A 39 3.334 21.600 -7.930 1.00 0.00 C ATOM 388 CE LYS A 39 1.827 21.698 -7.750 1.00 0.00 C ATOM 389 NZ LYS A 39 1.428 22.967 -7.081 1.00 0.00 N1+ ATOM 0 H LYS A 39 5.369 18.019 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 39 5.138 18.709 -10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.719 20.295 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.570 21.027 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.236 20.191 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.384 19.452 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.824 21.690 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.684 22.431 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.340 21.632 -8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.476 20.851 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.394 22.994 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.872 23.019 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.740 23.776 -7.656 1.00 0.00 H new ATOM 403 N THR A 40 8.046 18.351 -9.021 1.00 0.00 N ATOM 404 CA THR A 40 9.481 18.385 -9.274 1.00 0.00 C ATOM 405 C THR A 40 10.003 17.011 -9.674 1.00 0.00 C ATOM 406 O THR A 40 10.986 16.898 -10.406 1.00 0.00 O ATOM 407 CB THR A 40 10.250 18.891 -8.040 1.00 0.00 C ATOM 408 OG1 THR A 40 10.015 18.011 -6.933 1.00 0.00 O ATOM 409 CG2 THR A 40 9.800 20.296 -7.670 1.00 0.00 C ATOM 0 H THR A 40 7.774 17.794 -8.211 1.00 0.00 H new ATOM 0 HA THR A 40 9.646 19.077 -10.100 1.00 0.00 H new ATOM 0 HB THR A 40 11.314 18.912 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.273 17.407 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.354 20.637 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.989 20.970 -8.505 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.734 20.289 -7.444 1.00 0.00 H new ATOM 417 N GLY A 41 9.339 15.968 -9.188 1.00 0.00 N ATOM 418 CA GLY A 41 9.741 14.598 -9.484 1.00 0.00 C ATOM 419 C GLY A 41 10.824 14.122 -8.525 1.00 0.00 C ATOM 420 O GLY A 41 11.717 13.365 -8.907 1.00 0.00 O ATOM 0 H GLY A 41 8.519 16.045 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.875 13.939 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.107 14.537 -10.509 1.00 0.00 H new ATOM 424 N GLN A 42 10.741 14.570 -7.277 1.00 0.00 N ATOM 425 CA GLN A 42 11.715 14.191 -6.260 1.00 0.00 C ATOM 426 C GLN A 42 11.138 14.348 -4.859 1.00 0.00 C ATOM 427 O GLN A 42 10.142 15.045 -4.662 1.00 0.00 O ATOM 428 CB GLN A 42 12.988 15.030 -6.398 1.00 0.00 C ATOM 429 CG GLN A 42 12.792 16.510 -6.114 1.00 0.00 C ATOM 430 CD GLN A 42 14.108 17.258 -6.011 1.00 0.00 C ATOM 431 OE1 GLN A 42 14.761 17.251 -4.964 1.00 0.00 O ATOM 432 NE2 GLN A 42 14.505 17.908 -7.099 1.00 0.00 N ATOM 0 H GLN A 42 10.008 15.197 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 42 11.963 13.141 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.744 14.638 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.378 14.914 -7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.187 16.952 -6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.236 16.628 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.933 17.886 -7.943 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.382 18.429 -7.090 1.00 0.00 H new ATOM 441 N CYS A 43 11.769 13.696 -3.888 1.00 0.00 N ATOM 442 CA CYS A 43 11.322 13.767 -2.502 1.00 0.00 C ATOM 443 C CYS A 43 12.088 14.834 -1.731 1.00 0.00 C ATOM 444 O CYS A 43 13.306 14.956 -1.864 1.00 0.00 O ATOM 445 CB CYS A 43 11.503 12.417 -1.809 1.00 0.00 C ATOM 446 SG CYS A 43 10.908 12.377 -0.102 1.00 0.00 S ATOM 0 H CYS A 43 12.592 13.112 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 43 10.264 14.031 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.979 11.653 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.561 12.154 -1.820 1.00 0.00 H new ATOM 451 N GLU A 44 11.368 15.606 -0.924 1.00 0.00 N ATOM 452 CA GLU A 44 11.969 16.702 -0.174 1.00 0.00 C ATOM 453 C GLU A 44 11.471 16.722 1.266 1.00 0.00 C ATOM 454 O GLU A 44 10.443 16.125 1.586 1.00 0.00 O ATOM 455 CB GLU A 44 11.663 18.041 -0.848 1.00 0.00 C ATOM 456 CG GLU A 44 10.185 18.403 -0.885 1.00 0.00 C ATOM 457 CD GLU A 44 9.912 19.670 -1.647 1.00 0.00 C ATOM 458 OE1 GLU A 44 10.835 20.219 -2.199 1.00 0.00 O ATOM 459 OE2 GLU A 44 8.779 20.088 -1.678 1.00 0.00 O1- ATOM 0 H GLU A 44 10.366 15.492 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 44 13.048 16.545 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.205 18.829 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.044 18.016 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.627 17.584 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.817 18.512 0.135 1.00 0.00 H new ATOM 466 N GLU A 45 12.207 17.411 2.131 1.00 0.00 N ATOM 467 CA GLU A 45 11.833 17.523 3.536 1.00 0.00 C ATOM 468 C GLU A 45 11.087 18.824 3.806 1.00 0.00 C ATOM 469 O GLU A 45 11.550 19.904 3.439 1.00 0.00 O ATOM 470 CB GLU A 45 13.075 17.442 4.427 1.00 0.00 C ATOM 471 CG GLU A 45 12.781 17.481 5.920 1.00 0.00 C ATOM 472 CD GLU A 45 14.022 17.379 6.763 1.00 0.00 C ATOM 473 OE1 GLU A 45 15.094 17.343 6.207 1.00 0.00 O ATOM 474 OE2 GLU A 45 13.898 17.336 7.964 1.00 0.00 O1- ATOM 0 H GLU A 45 13.067 17.901 1.884 1.00 0.00 H new ATOM 0 HA GLU A 45 11.169 16.691 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.612 16.521 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.740 18.269 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.261 18.409 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.107 16.663 6.174 1.00 0.00 H new ATOM 481 N GLN A 46 9.929 18.713 4.449 1.00 0.00 N ATOM 482 CA GLN A 46 9.139 19.884 4.810 1.00 0.00 C ATOM 483 C GLN A 46 8.849 19.914 6.305 1.00 0.00 C ATOM 484 O GLN A 46 8.768 18.870 6.952 1.00 0.00 O ATOM 485 CB GLN A 46 7.826 19.908 4.022 1.00 0.00 C ATOM 486 CG GLN A 46 8.004 20.025 2.518 1.00 0.00 C ATOM 487 CD GLN A 46 6.679 20.083 1.782 1.00 0.00 C ATOM 488 OE1 GLN A 46 5.615 20.194 2.397 1.00 0.00 O ATOM 489 NE2 GLN A 46 6.737 20.007 0.457 1.00 0.00 N ATOM 0 H GLN A 46 9.517 17.823 4.731 1.00 0.00 H new ATOM 0 HA GLN A 46 9.722 20.769 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.267 18.998 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.221 20.745 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.582 20.921 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.581 19.174 2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.639 19.916 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.879 20.040 -0.094 1.00 0.00 H new ATOM 498 N LYS A 47 8.695 21.116 6.849 1.00 0.00 N ATOM 499 CA LYS A 47 8.307 21.282 8.245 1.00 0.00 C ATOM 500 C LYS A 47 6.804 21.113 8.423 1.00 0.00 C ATOM 501 O LYS A 47 6.015 21.593 7.608 1.00 0.00 O ATOM 502 CB LYS A 47 8.748 22.651 8.764 1.00 0.00 C ATOM 503 CG LYS A 47 10.257 22.832 8.860 1.00 0.00 C ATOM 504 CD LYS A 47 10.615 24.154 9.522 1.00 0.00 C ATOM 505 CE LYS A 47 12.119 24.293 9.704 1.00 0.00 C ATOM 506 NZ LYS A 47 12.477 25.534 10.444 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.833 21.991 6.344 1.00 0.00 H new ATOM 0 HA LYS A 47 8.807 20.506 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.343 23.422 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.312 22.810 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.688 22.009 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.694 22.792 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.242 24.979 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.122 24.223 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.501 23.426 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.604 24.300 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.510 25.591 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.135 26.363 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.036 25.516 11.386 1.00 0.00 H new ATOM 520 N GLY A 48 6.413 20.429 9.492 1.00 0.00 N ATOM 521 CA GLY A 48 5.003 20.269 9.826 1.00 0.00 C ATOM 522 C GLY A 48 4.704 18.850 10.293 1.00 0.00 C ATOM 523 O GLY A 48 5.447 17.917 9.988 1.00 0.00 O ATOM 0 H GLY A 48 7.054 19.976 10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.729 20.977 10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.391 20.504 8.955 1.00 0.00 H new ATOM 527 N THR A 49 3.613 18.694 11.035 1.00 0.00 N ATOM 528 CA THR A 49 3.219 17.389 11.553 1.00 0.00 C ATOM 529 C THR A 49 1.773 17.069 11.197 1.00 0.00 C ATOM 530 O THR A 49 0.885 17.140 12.046 1.00 0.00 O ATOM 531 CB THR A 49 3.404 17.320 13.080 1.00 0.00 C ATOM 532 OG1 THR A 49 2.655 18.371 13.703 1.00 0.00 O ATOM 533 CG2 THR A 49 4.873 17.463 13.447 1.00 0.00 C ATOM 0 H THR A 49 2.985 19.456 11.291 1.00 0.00 H new ATOM 0 HA THR A 49 3.867 16.647 11.086 1.00 0.00 H new ATOM 0 HB THR A 49 3.045 16.352 13.430 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.734 18.359 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.984 17.412 14.530 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.444 16.657 12.985 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.246 18.423 13.089 1.00 0.00 H new ATOM 541 N GLU A 50 1.543 16.717 9.937 1.00 0.00 N ATOM 542 CA GLU A 50 0.223 16.290 9.489 1.00 0.00 C ATOM 543 C GLU A 50 -0.833 17.342 9.806 1.00 0.00 C ATOM 544 O GLU A 50 -1.660 17.156 10.699 1.00 0.00 O ATOM 545 CB GLU A 50 -0.157 14.959 10.142 1.00 0.00 C ATOM 546 CG GLU A 50 0.759 13.798 9.782 1.00 0.00 C ATOM 547 CD GLU A 50 0.289 12.486 10.345 1.00 0.00 C ATOM 548 OE1 GLU A 50 -0.440 12.501 11.307 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.659 11.467 9.811 1.00 0.00 O1- ATOM 0 H GLU A 50 2.255 16.719 9.207 1.00 0.00 H new ATOM 0 HA GLU A 50 0.264 16.160 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.155 15.086 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.177 14.705 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.827 13.718 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.764 14.007 10.150 1.00 0.00 H new ATOM 556 N CYS A 51 -0.800 18.447 9.069 1.00 0.00 N ATOM 557 CA CYS A 51 -1.825 19.477 9.186 1.00 0.00 C ATOM 558 C CYS A 51 -2.604 19.629 7.886 1.00 0.00 C ATOM 559 O CYS A 51 -2.653 20.712 7.303 1.00 0.00 O ATOM 560 CB CYS A 51 -1.198 20.821 9.559 1.00 0.00 C ATOM 561 SG CYS A 51 -0.236 20.787 11.090 1.00 0.00 S ATOM 0 H CYS A 51 -0.073 18.652 8.383 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.512 19.166 9.973 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.552 21.147 8.744 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.989 21.565 9.656 1.00 0.00 H new ATOM 566 N GLY A 52 -3.214 18.537 7.437 1.00 0.00 N ATOM 567 CA GLY A 52 -3.998 18.549 6.208 1.00 0.00 C ATOM 568 C GLY A 52 -3.167 18.081 5.020 1.00 0.00 C ATOM 569 O GLY A 52 -1.937 18.071 5.075 1.00 0.00 O ATOM 0 H GLY A 52 -3.180 17.632 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.869 17.904 6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.370 19.556 6.021 1.00 0.00 H new ATOM 573 N GLY A 53 -3.846 17.693 3.945 1.00 0.00 N ATOM 574 CA GLY A 53 -3.174 17.169 2.762 1.00 0.00 C ATOM 575 C GLY A 53 -3.480 15.690 2.564 1.00 0.00 C ATOM 576 O GLY A 53 -4.436 15.162 3.133 1.00 0.00 O ATOM 0 H GLY A 53 -4.862 17.732 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.491 17.729 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.098 17.310 2.859 1.00 0.00 H new ATOM 580 N GLY A 54 -2.662 15.025 1.756 1.00 0.00 N ATOM 581 CA GLY A 54 -2.840 13.603 1.485 1.00 0.00 C ATOM 582 C GLY A 54 -1.995 12.754 2.425 1.00 0.00 C ATOM 583 O GLY A 54 -1.574 13.215 3.486 1.00 0.00 O ATOM 0 H GLY A 54 -1.868 15.449 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.891 13.338 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.565 13.390 0.452 1.00 0.00 H new ATOM 587 N GLU A 55 -1.748 11.509 2.030 1.00 0.00 N ATOM 588 CA GLU A 55 -0.931 10.601 2.824 1.00 0.00 C ATOM 589 C GLU A 55 0.522 10.622 2.364 1.00 0.00 C ATOM 590 O GLU A 55 1.329 9.794 2.787 1.00 0.00 O ATOM 591 CB GLU A 55 -1.481 9.175 2.739 1.00 0.00 C ATOM 592 CG GLU A 55 -2.885 9.009 3.304 1.00 0.00 C ATOM 593 CD GLU A 55 -2.959 9.286 4.779 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.059 8.897 5.483 1.00 0.00 O ATOM 595 OE2 GLU A 55 -3.917 9.889 5.203 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.103 11.106 1.163 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.969 10.939 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.483 8.861 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.806 8.506 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.564 9.681 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.230 7.993 3.113 1.00 0.00 H new ATOM 602 N ASN A 56 0.848 11.574 1.497 1.00 0.00 N ATOM 603 CA ASN A 56 2.188 11.667 0.930 1.00 0.00 C ATOM 604 C ASN A 56 3.161 12.300 1.916 1.00 0.00 C ATOM 605 O ASN A 56 3.512 13.473 1.791 1.00 0.00 O ATOM 606 CB ASN A 56 2.165 12.446 -0.372 1.00 0.00 C ATOM 607 CG ASN A 56 3.505 12.474 -1.053 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.550 12.381 -0.399 1.00 0.00 O ATOM 609 ND2 ASN A 56 3.495 12.601 -2.356 1.00 0.00 N ATOM 0 H ASN A 56 0.202 12.293 1.171 1.00 0.00 H new ATOM 0 HA ASN A 56 2.534 10.655 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.430 12.003 -1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.841 13.468 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.374 12.626 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.608 12.674 -2.854 1.00 0.00 H new ATOM 616 N HIS A 57 3.594 11.516 2.898 1.00 0.00 N ATOM 617 CA HIS A 57 4.651 11.942 3.808 1.00 0.00 C ATOM 618 C HIS A 57 5.271 10.750 4.527 1.00 0.00 C ATOM 619 O HIS A 57 4.620 9.725 4.725 1.00 0.00 O ATOM 620 CB HIS A 57 4.110 12.941 4.837 1.00 0.00 C ATOM 621 CG HIS A 57 2.992 12.399 5.672 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.706 12.258 5.193 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.967 11.964 6.954 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.938 11.758 6.146 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.678 11.572 7.223 1.00 0.00 N ATOM 0 H HIS A 57 3.229 10.582 3.084 1.00 0.00 H new ATOM 0 HA HIS A 57 5.423 12.428 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.924 13.251 5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.763 13.833 4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.803 11.931 7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.116 11.539 6.058 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.346 11.198 8.112 1.00 0.00 H new ATOM 633 N PHE A 58 6.533 10.893 4.916 1.00 0.00 N ATOM 634 CA PHE A 58 7.296 9.778 5.465 1.00 0.00 C ATOM 635 C PHE A 58 8.078 10.201 6.702 1.00 0.00 C ATOM 636 O PHE A 58 8.308 11.389 6.926 1.00 0.00 O ATOM 637 CB PHE A 58 8.257 9.219 4.414 1.00 0.00 C ATOM 638 CG PHE A 58 7.574 8.713 3.176 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.341 9.558 2.101 1.00 0.00 C ATOM 640 CD2 PHE A 58 7.163 7.392 3.083 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.712 9.094 0.961 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.535 6.925 1.945 1.00 0.00 C ATOM 643 CZ PHE A 58 6.310 7.777 0.883 1.00 0.00 C ATOM 0 H PHE A 58 7.050 11.771 4.861 1.00 0.00 H new ATOM 0 HA PHE A 58 6.587 9.002 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.967 9.997 4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.833 8.407 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.655 10.590 2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.336 6.720 3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.535 9.763 0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.220 5.894 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.820 7.413 -0.008 1.00 0.00 H new ATOM 653 N GLU A 59 8.485 9.222 7.502 1.00 0.00 N ATOM 654 CA GLU A 59 9.205 9.494 8.740 1.00 0.00 C ATOM 655 C GLU A 59 10.525 10.203 8.465 1.00 0.00 C ATOM 656 O GLU A 59 10.929 11.094 9.212 1.00 0.00 O ATOM 657 CB GLU A 59 9.464 8.193 9.504 1.00 0.00 C ATOM 658 CG GLU A 59 8.214 7.541 10.077 1.00 0.00 C ATOM 659 CD GLU A 59 8.476 6.177 10.651 1.00 0.00 C ATOM 660 OE1 GLU A 59 9.572 5.691 10.503 1.00 0.00 O ATOM 661 OE2 GLU A 59 7.579 5.619 11.240 1.00 0.00 O1- ATOM 0 H GLU A 59 8.328 8.232 7.315 1.00 0.00 H new ATOM 0 HA GLU A 59 8.583 10.150 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.955 7.485 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.159 8.397 10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.799 8.183 10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.460 7.461 9.294 1.00 0.00 H new ATOM 668 N THR A 60 11.193 9.803 7.389 1.00 0.00 N ATOM 669 CA THR A 60 12.456 10.418 6.998 1.00 0.00 C ATOM 670 C THR A 60 12.700 10.271 5.502 1.00 0.00 C ATOM 671 O THR A 60 11.894 9.675 4.787 1.00 0.00 O ATOM 672 CB THR A 60 13.635 9.805 7.777 1.00 0.00 C ATOM 673 OG1 THR A 60 14.818 10.580 7.544 1.00 0.00 O ATOM 674 CG2 THR A 60 13.877 8.370 7.336 1.00 0.00 C ATOM 0 H THR A 60 10.880 9.054 6.771 1.00 0.00 H new ATOM 0 HA THR A 60 12.387 11.479 7.239 1.00 0.00 H new ATOM 0 HB THR A 60 13.392 9.811 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.594 11.534 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.713 7.953 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.982 7.776 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.109 8.351 6.271 1.00 0.00 H new ATOM 682 N LEU A 61 13.816 10.819 5.033 1.00 0.00 N ATOM 683 CA LEU A 61 14.112 10.853 3.606 1.00 0.00 C ATOM 684 C LEU A 61 14.397 9.456 3.069 1.00 0.00 C ATOM 685 O LEU A 61 13.942 9.093 1.985 1.00 0.00 O ATOM 686 CB LEU A 61 15.315 11.767 3.336 1.00 0.00 C ATOM 687 CG LEU A 61 15.699 11.942 1.861 1.00 0.00 C ATOM 688 CD1 LEU A 61 14.520 12.526 1.094 1.00 0.00 C ATOM 689 CD2 LEU A 61 16.920 12.844 1.758 1.00 0.00 C ATOM 0 H LEU A 61 14.531 11.246 5.622 1.00 0.00 H new ATOM 0 HA LEU A 61 13.235 11.247 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.103 12.750 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.177 11.370 3.872 1.00 0.00 H new ATOM 0 HG LEU A 61 15.948 10.975 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.793 12.650 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.667 11.852 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.255 13.495 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.193 12.968 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.691 13.818 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.752 12.393 2.299 1.00 0.00 H new ATOM 701 N LEU A 62 15.153 8.677 3.835 1.00 0.00 N ATOM 702 CA LEU A 62 15.450 7.298 3.467 1.00 0.00 C ATOM 703 C LEU A 62 14.173 6.515 3.188 1.00 0.00 C ATOM 704 O LEU A 62 14.035 5.887 2.138 1.00 0.00 O ATOM 705 CB LEU A 62 16.244 6.610 4.585 1.00 0.00 C ATOM 706 CG LEU A 62 16.536 5.119 4.373 1.00 0.00 C ATOM 707 CD1 LEU A 62 17.392 4.941 3.127 1.00 0.00 C ATOM 708 CD2 LEU A 62 17.237 4.559 5.602 1.00 0.00 C ATOM 0 H LEU A 62 15.571 8.978 4.715 1.00 0.00 H new ATOM 0 HA LEU A 62 16.048 7.317 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.192 7.133 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.694 6.724 5.519 1.00 0.00 H new ATOM 0 HG LEU A 62 15.603 4.573 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.599 3.882 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.859 5.333 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.331 5.481 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.444 3.500 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.174 5.093 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.596 4.683 6.475 1.00 0.00 H new ATOM 720 N LYS A 63 13.241 6.557 4.134 1.00 0.00 N ATOM 721 CA LYS A 63 11.966 5.866 3.984 1.00 0.00 C ATOM 722 C LYS A 63 11.216 6.354 2.751 1.00 0.00 C ATOM 723 O LYS A 63 10.614 5.563 2.025 1.00 0.00 O ATOM 724 CB LYS A 63 11.104 6.055 5.233 1.00 0.00 C ATOM 725 CG LYS A 63 9.786 5.292 5.209 1.00 0.00 C ATOM 726 CD LYS A 63 9.050 5.418 6.535 1.00 0.00 C ATOM 727 CE LYS A 63 7.748 4.632 6.523 1.00 0.00 C ATOM 728 NZ LYS A 63 7.067 4.663 7.846 1.00 0.00 N1+ ATOM 0 H LYS A 63 13.345 7.063 5.014 1.00 0.00 H new ATOM 0 HA LYS A 63 12.176 4.804 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.676 5.740 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.893 7.117 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.157 5.673 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.976 4.240 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.687 5.057 7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.841 6.468 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.083 5.043 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.951 3.598 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.184 4.116 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.691 4.248 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.850 5.647 8.102 1.00 0.00 H new ATOM 742 N CYS A 64 11.256 7.662 2.520 1.00 0.00 N ATOM 743 CA CYS A 64 10.598 8.256 1.362 1.00 0.00 C ATOM 744 C CYS A 64 11.185 7.722 0.061 1.00 0.00 C ATOM 745 O CYS A 64 10.456 7.252 -0.812 1.00 0.00 O ATOM 746 CB CYS A 64 10.733 9.779 1.389 1.00 0.00 C ATOM 747 SG CYS A 64 9.896 10.619 0.023 1.00 0.00 S ATOM 0 H CYS A 64 11.738 8.332 3.120 1.00 0.00 H new ATOM 0 HA CYS A 64 9.543 7.984 1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.332 10.152 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.791 10.040 1.368 1.00 0.00 H new ATOM 752 N ASN A 65 12.506 7.799 -0.061 1.00 0.00 N ATOM 753 CA ASN A 65 13.184 7.412 -1.292 1.00 0.00 C ATOM 754 C ASN A 65 13.040 5.918 -1.555 1.00 0.00 C ATOM 755 O ASN A 65 12.844 5.494 -2.694 1.00 0.00 O ATOM 756 CB ASN A 65 14.649 7.806 -1.241 1.00 0.00 C ATOM 757 CG ASN A 65 14.855 9.286 -1.409 1.00 0.00 C ATOM 758 OD1 ASN A 65 13.917 10.023 -1.732 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.066 9.735 -1.196 1.00 0.00 N ATOM 0 H ASN A 65 13.128 8.126 0.678 1.00 0.00 H new ATOM 0 HA ASN A 65 12.710 7.944 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.074 7.489 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.192 7.276 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.266 10.730 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.810 9.090 -0.931 1.00 0.00 H new ATOM 766 N GLU A 66 13.138 5.124 -0.494 1.00 0.00 N ATOM 767 CA GLU A 66 13.018 3.676 -0.607 1.00 0.00 C ATOM 768 C GLU A 66 11.601 3.268 -0.988 1.00 0.00 C ATOM 769 O GLU A 66 11.400 2.311 -1.737 1.00 0.00 O ATOM 770 CB GLU A 66 13.417 3.003 0.708 1.00 0.00 C ATOM 771 CG GLU A 66 14.906 3.060 1.018 1.00 0.00 C ATOM 772 CD GLU A 66 15.739 2.291 0.031 1.00 0.00 C ATOM 773 OE1 GLU A 66 15.406 1.164 -0.248 1.00 0.00 O ATOM 774 OE2 GLU A 66 16.710 2.830 -0.445 1.00 0.00 O1- ATOM 0 H GLU A 66 13.300 5.460 0.455 1.00 0.00 H new ATOM 0 HA GLU A 66 13.693 3.347 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.870 3.475 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.105 1.959 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.231 4.101 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.079 2.664 2.019 1.00 0.00 H new ATOM 781 N SER A 67 10.621 4.000 -0.470 1.00 0.00 N ATOM 782 CA SER A 67 9.223 3.758 -0.808 1.00 0.00 C ATOM 783 C SER A 67 8.940 4.108 -2.263 1.00 0.00 C ATOM 784 O SER A 67 8.306 3.338 -2.984 1.00 0.00 O ATOM 785 CB SER A 67 8.319 4.567 0.102 1.00 0.00 C ATOM 786 OG SER A 67 8.410 4.121 1.427 1.00 0.00 O ATOM 0 H SER A 67 10.769 4.767 0.186 1.00 0.00 H new ATOM 0 HA SER A 67 9.021 2.696 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.593 5.621 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.288 4.489 -0.242 1.00 0.00 H new ATOM 0 HG SER A 67 9.155 4.574 1.874 1.00 0.00 H new ATOM 792 N CYS A 68 9.413 5.275 -2.688 1.00 0.00 N ATOM 793 CA CYS A 68 9.183 5.744 -4.049 1.00 0.00 C ATOM 794 C CYS A 68 9.881 4.849 -5.066 1.00 0.00 C ATOM 795 O CYS A 68 9.449 4.742 -6.213 1.00 0.00 O ATOM 796 CB CYS A 68 9.681 7.180 -4.215 1.00 0.00 C ATOM 797 SG CYS A 68 8.754 8.398 -3.251 1.00 0.00 S ATOM 0 H CYS A 68 9.958 5.913 -2.109 1.00 0.00 H new ATOM 0 HA CYS A 68 8.109 5.710 -4.229 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.731 7.225 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.630 7.452 -5.269 1.00 0.00 H new ATOM 802 N ASN A 69 10.964 4.209 -4.637 1.00 0.00 N ATOM 803 CA ASN A 69 11.704 3.295 -5.499 1.00 0.00 C ATOM 804 C ASN A 69 10.841 2.114 -5.922 1.00 0.00 C ATOM 805 O ASN A 69 11.078 1.500 -6.962 1.00 0.00 O ATOM 806 CB ASN A 69 12.966 2.814 -4.807 1.00 0.00 C ATOM 807 CG ASN A 69 13.860 2.022 -5.721 1.00 0.00 C ATOM 808 OD1 ASN A 69 14.383 2.550 -6.709 1.00 0.00 O ATOM 809 ND2 ASN A 69 14.045 0.764 -5.410 1.00 0.00 N ATOM 0 H ASN A 69 11.349 4.307 -3.697 1.00 0.00 H new ATOM 0 HA ASN A 69 11.988 3.840 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.515 3.673 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.694 2.200 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.641 0.177 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.593 0.371 -4.585 1.00 0.00 H new ATOM 816 N ASP A 70 9.838 1.800 -5.109 1.00 0.00 N ATOM 817 CA ASP A 70 8.997 0.632 -5.344 1.00 0.00 C ATOM 818 C ASP A 70 7.709 1.016 -6.061 1.00 0.00 C ATOM 819 O ASP A 70 6.817 0.187 -6.241 1.00 0.00 O ATOM 820 CB ASP A 70 8.665 -0.065 -4.023 1.00 0.00 C ATOM 821 CG ASP A 70 9.885 -0.688 -3.358 1.00 0.00 C ATOM 822 OD1 ASP A 70 10.811 -1.024 -4.058 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.878 -0.823 -2.158 1.00 0.00 O1- ATOM 0 H ASP A 70 9.587 2.339 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 70 9.555 -0.055 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.214 0.656 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.921 -0.840 -4.204 1.00 0.00 H new ATOM 874 N PRO A 74 7.231 5.052 -13.974 1.00 0.00 N ATOM 875 CA PRO A 74 8.399 4.811 -14.812 1.00 0.00 C ATOM 876 C PRO A 74 9.609 5.586 -14.307 1.00 0.00 C ATOM 877 O PRO A 74 9.507 6.766 -13.972 1.00 0.00 O ATOM 878 CB PRO A 74 7.944 5.308 -16.188 1.00 0.00 C ATOM 879 CG PRO A 74 6.472 5.075 -16.193 1.00 0.00 C ATOM 880 CD PRO A 74 6.036 5.408 -14.791 1.00 0.00 C ATOM 0 HA PRO A 74 8.716 3.768 -14.821 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.181 6.363 -16.329 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.436 4.761 -16.992 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.972 5.708 -16.926 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.234 4.043 -16.449 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.777 6.462 -14.689 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.159 4.833 -14.494 1.00 0.00 H new ATOM 888 N PRO A 75 10.755 4.915 -14.253 1.00 0.00 N ATOM 889 CA PRO A 75 11.990 5.542 -13.799 1.00 0.00 C ATOM 890 C PRO A 75 12.265 6.832 -14.561 1.00 0.00 C ATOM 891 O PRO A 75 12.798 7.792 -14.004 1.00 0.00 O ATOM 892 CB PRO A 75 13.048 4.475 -14.093 1.00 0.00 C ATOM 893 CG PRO A 75 12.310 3.185 -13.973 1.00 0.00 C ATOM 894 CD PRO A 75 10.955 3.473 -14.564 1.00 0.00 C ATOM 0 HA PRO A 75 11.965 5.835 -12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.473 4.599 -15.089 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.875 4.528 -13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.817 2.385 -14.513 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.231 2.868 -12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.934 3.285 -15.637 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.179 2.852 -14.117 1.00 0.00 H new ATOM 902 N CYS A 76 11.900 6.848 -15.838 1.00 0.00 N ATOM 903 CA CYS A 76 12.218 7.970 -16.713 1.00 0.00 C ATOM 904 C CYS A 76 11.312 9.162 -16.432 1.00 0.00 C ATOM 905 O CYS A 76 11.502 10.243 -16.988 1.00 0.00 O ATOM 906 CB CYS A 76 12.080 7.565 -18.180 1.00 0.00 C ATOM 907 SG CYS A 76 13.293 6.340 -18.726 1.00 0.00 S ATOM 0 H CYS A 76 11.382 6.095 -16.291 1.00 0.00 H new ATOM 0 HA CYS A 76 13.250 8.258 -16.513 1.00 0.00 H new ATOM 0 HB2 CYS A 76 11.079 7.166 -18.343 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.174 8.455 -18.802 1.00 0.00 H new ATOM 912 N SER A 77 10.325 8.957 -15.566 1.00 0.00 N ATOM 913 CA SER A 77 9.417 10.028 -15.172 1.00 0.00 C ATOM 914 C SER A 77 9.874 10.690 -13.879 1.00 0.00 C ATOM 915 O SER A 77 9.233 11.617 -13.385 1.00 0.00 O ATOM 916 CB SER A 77 8.011 9.484 -15.003 1.00 0.00 C ATOM 917 OG SER A 77 7.511 8.999 -16.219 1.00 0.00 O ATOM 0 H SER A 77 10.133 8.058 -15.123 1.00 0.00 H new ATOM 0 HA SER A 77 9.422 10.780 -15.961 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.013 8.685 -14.262 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.357 10.269 -14.624 1.00 0.00 H new ATOM 0 HG SER A 77 6.604 8.652 -16.085 1.00 0.00 H new ATOM 923 N LEU A 78 10.986 10.207 -13.334 1.00 0.00 N ATOM 924 CA LEU A 78 11.534 10.756 -12.100 1.00 0.00 C ATOM 925 C LEU A 78 12.776 11.595 -12.374 1.00 0.00 C ATOM 926 O LEU A 78 13.505 11.346 -13.333 1.00 0.00 O ATOM 927 CB LEU A 78 11.880 9.624 -11.124 1.00 0.00 C ATOM 928 CG LEU A 78 10.691 8.988 -10.393 1.00 0.00 C ATOM 929 CD1 LEU A 78 10.048 7.936 -11.287 1.00 0.00 C ATOM 930 CD2 LEU A 78 11.166 8.378 -9.084 1.00 0.00 C ATOM 0 H LEU A 78 11.525 9.436 -13.728 1.00 0.00 H new ATOM 0 HA LEU A 78 10.775 11.400 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.404 8.843 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.575 10.011 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 78 9.944 9.748 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.203 7.484 -10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.700 8.404 -12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.781 7.165 -11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.321 7.926 -8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.916 7.614 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.603 9.156 -8.457 1.00 0.00 H new ATOM 942 N GLU A 79 13.010 12.590 -11.525 1.00 0.00 N ATOM 943 CA GLU A 79 14.108 13.527 -11.728 1.00 0.00 C ATOM 944 C GLU A 79 15.447 12.892 -11.373 1.00 0.00 C ATOM 945 O GLU A 79 15.524 12.037 -10.491 1.00 0.00 O ATOM 946 CB GLU A 79 13.894 14.790 -10.890 1.00 0.00 C ATOM 947 CG GLU A 79 14.913 15.892 -11.142 1.00 0.00 C ATOM 948 CD GLU A 79 14.629 17.142 -10.357 1.00 0.00 C ATOM 949 OE1 GLU A 79 13.700 17.138 -9.585 1.00 0.00 O ATOM 950 OE2 GLU A 79 15.341 18.103 -10.530 1.00 0.00 O1- ATOM 0 H GLU A 79 12.453 12.768 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 79 14.125 13.796 -12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.897 15.181 -11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.922 14.520 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.907 15.526 -10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.926 16.132 -12.205 1.00 0.00 H new ATOM 957 N VAL A 80 16.499 13.315 -12.065 1.00 0.00 N ATOM 958 CA VAL A 80 17.846 12.836 -11.781 1.00 0.00 C ATOM 959 C VAL A 80 18.216 13.067 -10.321 1.00 0.00 C ATOM 960 O VAL A 80 18.066 14.172 -9.800 1.00 0.00 O ATOM 961 CB VAL A 80 18.869 13.549 -12.685 1.00 0.00 C ATOM 962 CG1 VAL A 80 20.288 13.181 -12.277 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.615 13.186 -14.140 1.00 0.00 C ATOM 0 H VAL A 80 16.444 13.990 -12.828 1.00 0.00 H new ATOM 0 HA VAL A 80 17.865 11.765 -11.981 1.00 0.00 H new ATOM 0 HB VAL A 80 18.753 14.627 -12.569 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.998 13.694 -12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.459 13.482 -11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.425 12.104 -12.369 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.342 13.694 -14.774 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.712 12.108 -14.268 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.609 13.496 -14.422 1.00 0.00 H new ATOM 973 N ASP A 81 18.701 12.017 -9.666 1.00 0.00 N ATOM 974 CA ASP A 81 19.130 12.113 -8.276 1.00 0.00 C ATOM 975 C ASP A 81 20.299 11.178 -7.994 1.00 0.00 C ATOM 976 O ASP A 81 20.108 9.987 -7.748 1.00 0.00 O ATOM 977 CB ASP A 81 17.970 11.788 -7.332 1.00 0.00 C ATOM 978 CG ASP A 81 18.329 11.976 -5.864 1.00 0.00 C ATOM 979 OD1 ASP A 81 19.483 12.192 -5.578 1.00 0.00 O ATOM 980 OD2 ASP A 81 17.446 11.901 -5.043 1.00 0.00 O1- ATOM 0 H ASP A 81 18.807 11.089 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 81 19.457 13.138 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.120 12.424 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.654 10.757 -7.494 1.00 0.00 H new ATOM 985 N TYR A 82 21.509 11.725 -8.032 1.00 0.00 N ATOM 986 CA TYR A 82 22.713 10.938 -7.788 1.00 0.00 C ATOM 987 C TYR A 82 23.233 11.152 -6.372 1.00 0.00 C ATOM 988 O TYR A 82 24.383 10.835 -6.069 1.00 0.00 O ATOM 989 CB TYR A 82 23.797 11.288 -8.810 1.00 0.00 C ATOM 990 CG TYR A 82 24.052 12.773 -8.945 1.00 0.00 C ATOM 991 CD1 TYR A 82 24.946 13.403 -8.092 1.00 0.00 C ATOM 992 CD2 TYR A 82 23.394 13.503 -9.923 1.00 0.00 C ATOM 993 CE1 TYR A 82 25.179 14.760 -8.215 1.00 0.00 C ATOM 994 CE2 TYR A 82 23.627 14.859 -10.046 1.00 0.00 C ATOM 995 CZ TYR A 82 24.515 15.487 -9.197 1.00 0.00 C ATOM 996 OH TYR A 82 24.748 16.837 -9.320 1.00 0.00 O ATOM 0 H TYR A 82 21.683 12.711 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 82 22.453 9.885 -7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 82 24.726 10.794 -8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 82 23.509 10.888 -9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 82 25.460 12.833 -7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 82 22.700 13.012 -10.588 1.00 0.00 H new ATOM 0 HE1 TYR A 82 25.874 15.253 -7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 82 23.114 15.428 -10.807 1.00 0.00 H new ATOM 0 HH TYR A 82 24.207 17.197 -10.054 1.00 0.00 H new ATOM 1006 N GLY A 83 22.379 11.691 -5.509 1.00 0.00 N ATOM 1007 CA GLY A 83 22.718 11.862 -4.101 1.00 0.00 C ATOM 1008 C GLY A 83 23.564 13.111 -3.886 1.00 0.00 C ATOM 1009 O GLY A 83 23.941 13.789 -4.842 1.00 0.00 O ATOM 0 H GLY A 83 21.446 12.017 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.805 11.932 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.261 10.986 -3.746 1.00 0.00 H new ATOM 1013 N VAL A 84 23.858 13.410 -2.626 1.00 0.00 N ATOM 1014 CA VAL A 84 24.725 14.532 -2.287 1.00 0.00 C ATOM 1015 C VAL A 84 25.820 14.109 -1.316 1.00 0.00 C ATOM 1016 O VAL A 84 26.095 14.801 -0.336 1.00 0.00 O ATOM 1017 CB VAL A 84 23.902 15.674 -1.662 1.00 0.00 C ATOM 1018 CG1 VAL A 84 22.967 16.285 -2.696 1.00 0.00 C ATOM 1019 CG2 VAL A 84 23.118 15.153 -0.467 1.00 0.00 C ATOM 0 H VAL A 84 23.508 12.890 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 84 25.191 14.880 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 84 24.582 16.454 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.393 17.090 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 84 23.552 16.683 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.285 15.520 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.538 15.966 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.444 14.360 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.809 14.759 0.278 1.00 0.00 H new ATOM 1029 N GLY A 85 26.442 12.968 -1.594 1.00 0.00 N ATOM 1030 CA GLY A 85 27.382 12.361 -0.660 1.00 0.00 C ATOM 1031 C GLY A 85 28.820 12.703 -1.025 1.00 0.00 C ATOM 1032 O GLY A 85 29.135 13.852 -1.337 1.00 0.00 O ATOM 0 H GLY A 85 26.311 12.445 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 27.169 12.707 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 85 27.252 11.279 -0.661 1.00 0.00 H new ATOM 1036 N ARG A 86 29.691 11.700 -0.984 1.00 0.00 N ATOM 1037 CA ARG A 86 31.124 11.923 -1.130 1.00 0.00 C ATOM 1038 C ARG A 86 31.770 10.827 -1.968 1.00 0.00 C ATOM 1039 O ARG A 86 32.956 10.896 -2.291 1.00 0.00 O ATOM 1040 CB ARG A 86 31.799 11.979 0.233 1.00 0.00 C ATOM 1041 CG ARG A 86 31.387 13.156 1.102 1.00 0.00 C ATOM 1042 CD ARG A 86 31.858 14.447 0.538 1.00 0.00 C ATOM 1043 NE ARG A 86 31.508 15.571 1.391 1.00 0.00 N ATOM 1044 CZ ARG A 86 30.353 16.261 1.313 1.00 0.00 C ATOM 1045 NH1 ARG A 86 29.450 15.931 0.417 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 30.129 17.271 2.136 1.00 0.00 N ATOM 0 H ARG A 86 29.428 10.723 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 86 31.256 12.878 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 86 31.580 11.056 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 86 32.879 12.014 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 86 30.301 13.175 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 86 31.793 13.027 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 86 32.940 14.413 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 86 31.422 14.592 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 86 32.184 15.858 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 86 29.623 15.153 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 86 28.576 16.453 0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 86 30.830 17.528 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 86 29.255 17.793 2.077 1.00 0.00 H new ATOM 1060 N ALA A 87 30.982 9.815 -2.318 1.00 0.00 N ATOM 1061 CA ALA A 87 31.466 8.719 -3.148 1.00 0.00 C ATOM 1062 C ALA A 87 31.635 9.159 -4.597 1.00 0.00 C ATOM 1063 O ALA A 87 31.109 10.193 -5.007 1.00 0.00 O ATOM 1064 CB ALA A 87 30.519 7.531 -3.063 1.00 0.00 C ATOM 0 H ALA A 87 30.004 9.732 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 87 32.443 8.418 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 87 30.894 6.721 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 87 30.454 7.191 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 87 29.530 7.829 -3.410 1.00 0.00 H new ATOM 1070 N ASN A 88 32.372 8.366 -5.368 1.00 0.00 N ATOM 1071 CA ASN A 88 32.610 8.671 -6.774 1.00 0.00 C ATOM 1072 C ASN A 88 32.320 7.463 -7.656 1.00 0.00 C ATOM 1073 O ASN A 88 33.238 6.830 -8.179 1.00 0.00 O ATOM 1074 CB ASN A 88 34.033 9.155 -6.982 1.00 0.00 C ATOM 1075 CG ASN A 88 34.324 10.431 -6.241 1.00 0.00 C ATOM 1076 OD1 ASN A 88 33.864 11.509 -6.633 1.00 0.00 O ATOM 1077 ND2 ASN A 88 35.077 10.329 -5.176 1.00 0.00 N ATOM 0 H ASN A 88 32.815 7.507 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 88 31.927 9.469 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 88 34.727 8.382 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 88 34.208 9.309 -8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 88 35.306 11.161 -4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 88 35.435 9.418 -4.890 1.00 0.00 H new ATOM 1084 N ILE A 89 31.040 7.148 -7.818 1.00 0.00 N ATOM 1085 CA ILE A 89 30.627 6.014 -8.635 1.00 0.00 C ATOM 1086 C ILE A 89 29.852 6.472 -9.863 1.00 0.00 C ATOM 1087 O ILE A 89 28.700 6.894 -9.761 1.00 0.00 O ATOM 1088 CB ILE A 89 29.763 5.034 -7.819 1.00 0.00 C ATOM 1089 CG1 ILE A 89 30.536 4.533 -6.596 1.00 0.00 C ATOM 1090 CG2 ILE A 89 29.319 3.867 -8.686 1.00 0.00 C ATOM 1091 CD1 ILE A 89 29.692 3.744 -5.621 1.00 0.00 C ATOM 0 H ILE A 89 30.269 7.663 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 89 31.533 5.504 -8.962 1.00 0.00 H new ATOM 0 HB ILE A 89 28.874 5.561 -7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 89 31.365 3.910 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 89 30.970 5.388 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 89 28.710 3.185 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 89 28.733 4.240 -9.526 1.00 0.00 H new ATOM 0 HG23 ILE A 89 30.195 3.338 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 89 30.309 3.423 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 89 28.878 4.370 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 89 29.279 2.869 -6.123 1.00 0.00 H new ATOM 1103 N PRO A 90 30.491 6.388 -11.025 1.00 0.00 N ATOM 1104 CA PRO A 90 29.846 6.748 -12.282 1.00 0.00 C ATOM 1105 C PRO A 90 28.589 5.919 -12.514 1.00 0.00 C ATOM 1106 O PRO A 90 28.644 4.690 -12.562 1.00 0.00 O ATOM 1107 CB PRO A 90 30.926 6.440 -13.324 1.00 0.00 C ATOM 1108 CG PRO A 90 32.206 6.550 -12.568 1.00 0.00 C ATOM 1109 CD PRO A 90 31.889 5.980 -11.211 1.00 0.00 C ATOM 0 HA PRO A 90 29.509 7.784 -12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 90 30.798 5.444 -13.748 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.892 7.146 -14.154 1.00 0.00 H new ATOM 0 HG2 PRO A 90 33.005 5.993 -13.056 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.538 7.586 -12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 90 32.004 4.896 -11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.539 6.387 -10.436 1.00 0.00 H new ATOM 1117 N ARG A 91 27.456 6.598 -12.657 1.00 0.00 N ATOM 1118 CA ARG A 91 26.192 5.930 -12.942 1.00 0.00 C ATOM 1119 C ARG A 91 25.344 6.745 -13.909 1.00 0.00 C ATOM 1120 O ARG A 91 25.545 7.949 -14.064 1.00 0.00 O ATOM 1121 CB ARG A 91 25.410 5.695 -11.659 1.00 0.00 C ATOM 1122 CG ARG A 91 26.084 4.771 -10.658 1.00 0.00 C ATOM 1123 CD ARG A 91 25.202 4.478 -9.499 1.00 0.00 C ATOM 1124 NE ARG A 91 24.012 3.743 -9.895 1.00 0.00 N ATOM 1125 CZ ARG A 91 23.952 2.404 -10.039 1.00 0.00 C ATOM 1126 NH1 ARG A 91 25.020 1.671 -9.815 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 22.819 1.829 -10.404 1.00 0.00 N ATOM 0 H ARG A 91 27.387 7.613 -12.580 1.00 0.00 H new ATOM 0 HA ARG A 91 26.425 4.971 -13.404 1.00 0.00 H new ATOM 0 HB2 ARG A 91 25.230 6.657 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 91 24.436 5.280 -11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 91 26.358 3.838 -11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 91 27.008 5.229 -10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 91 25.756 3.901 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 91 24.909 5.412 -9.021 1.00 0.00 H new ATOM 0 HE ARG A 91 23.163 4.278 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.893 2.115 -9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.975 0.658 -9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.991 2.398 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 91 22.773 0.816 -10.513 1.00 0.00 H new ATOM 1141 N TRP A 92 24.394 6.081 -14.559 1.00 0.00 N ATOM 1142 CA TRP A 92 23.626 6.698 -15.634 1.00 0.00 C ATOM 1143 C TRP A 92 22.265 7.170 -15.137 1.00 0.00 C ATOM 1144 O TRP A 92 21.556 6.436 -14.449 1.00 0.00 O ATOM 1145 CB TRP A 92 23.438 5.712 -16.789 1.00 0.00 C ATOM 1146 CG TRP A 92 24.675 5.508 -17.609 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.635 4.561 -17.414 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.095 6.272 -18.766 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.620 4.682 -18.363 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.304 5.723 -19.200 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.548 7.360 -19.457 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 26.985 6.225 -20.298 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.231 7.863 -20.559 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.417 7.309 -20.968 1.00 0.00 C ATOM 0 H TRP A 92 24.137 5.114 -14.360 1.00 0.00 H new ATOM 0 HA TRP A 92 24.185 7.564 -15.987 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.116 4.751 -16.387 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.638 6.071 -17.436 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.623 3.822 -16.627 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.451 4.094 -18.434 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.614 7.800 -19.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 27.920 5.793 -20.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 24.821 8.703 -21.101 1.00 0.00 H new ATOM 0 HH2 TRP A 92 26.923 7.721 -21.828 1.00 0.00 H new ATOM 1165 N TYR A 93 21.906 8.399 -15.491 1.00 0.00 N ATOM 1166 CA TYR A 93 20.611 8.956 -15.120 1.00 0.00 C ATOM 1167 C TYR A 93 19.922 9.595 -16.318 1.00 0.00 C ATOM 1168 O TYR A 93 20.577 10.146 -17.202 1.00 0.00 O ATOM 1169 CB TYR A 93 20.770 9.979 -13.992 1.00 0.00 C ATOM 1170 CG TYR A 93 21.345 9.399 -12.719 1.00 0.00 C ATOM 1171 CD1 TYR A 93 22.711 9.179 -12.611 1.00 0.00 C ATOM 1172 CD2 TYR A 93 20.507 9.087 -11.659 1.00 0.00 C ATOM 1173 CE1 TYR A 93 23.236 8.650 -11.448 1.00 0.00 C ATOM 1174 CE2 TYR A 93 21.032 8.558 -10.496 1.00 0.00 C ATOM 1175 CZ TYR A 93 22.390 8.339 -10.389 1.00 0.00 C ATOM 1176 OH TYR A 93 22.913 7.812 -9.231 1.00 0.00 O ATOM 0 H TYR A 93 22.495 9.029 -16.035 1.00 0.00 H new ATOM 0 HA TYR A 93 19.985 8.137 -14.767 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.415 10.788 -14.336 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.797 10.419 -13.773 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.364 9.421 -13.437 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.444 9.258 -11.743 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.299 8.479 -11.362 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.379 8.316 -9.670 1.00 0.00 H new ATOM 0 HH TYR A 93 22.190 7.652 -8.589 1.00 0.00 H new ATOM 1186 N TYR A 94 18.595 9.517 -16.343 1.00 0.00 N ATOM 1187 CA TYR A 94 17.813 10.101 -17.426 1.00 0.00 C ATOM 1188 C TYR A 94 17.449 11.549 -17.124 1.00 0.00 C ATOM 1189 O TYR A 94 16.778 11.836 -16.133 1.00 0.00 O ATOM 1190 CB TYR A 94 16.548 9.277 -17.678 1.00 0.00 C ATOM 1191 CG TYR A 94 15.656 9.844 -18.759 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.066 9.814 -20.084 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.427 10.394 -18.426 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.251 10.332 -21.072 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.612 10.912 -19.414 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.020 10.882 -20.732 1.00 0.00 C ATOM 1197 OH TYR A 94 13.208 11.398 -21.716 1.00 0.00 O ATOM 0 H TYR A 94 18.039 9.054 -15.624 1.00 0.00 H new ATOM 0 HA TYR A 94 18.427 10.087 -18.327 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.835 8.262 -17.952 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.980 9.208 -16.750 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.023 9.385 -20.343 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.107 10.417 -17.395 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.569 10.310 -22.104 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.655 11.341 -19.155 1.00 0.00 H new ATOM 0 HH TYR A 94 12.384 11.743 -21.313 1.00 0.00 H new ATOM 1207 N ASP A 95 17.896 12.458 -17.984 1.00 0.00 N ATOM 1208 CA ASP A 95 17.551 13.868 -17.856 1.00 0.00 C ATOM 1209 C ASP A 95 16.179 14.156 -18.452 1.00 0.00 C ATOM 1210 O ASP A 95 16.002 14.124 -19.669 1.00 0.00 O ATOM 1211 CB ASP A 95 18.605 14.743 -18.540 1.00 0.00 C ATOM 1212 CG ASP A 95 18.328 16.233 -18.387 1.00 0.00 C ATOM 1213 OD1 ASP A 95 17.202 16.584 -18.126 1.00 0.00 O ATOM 1214 OD2 ASP A 95 19.246 17.004 -18.534 1.00 0.00 O1- ATOM 0 H ASP A 95 18.499 12.242 -18.778 1.00 0.00 H new ATOM 0 HA ASP A 95 17.523 14.106 -16.793 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.586 14.516 -18.122 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.645 14.493 -19.600 1.00 0.00 H new ATOM 1219 N THR A 96 15.211 14.438 -17.586 1.00 0.00 N ATOM 1220 CA THR A 96 13.823 14.583 -18.010 1.00 0.00 C ATOM 1221 C THR A 96 13.590 15.930 -18.681 1.00 0.00 C ATOM 1222 O THR A 96 12.618 16.109 -19.415 1.00 0.00 O ATOM 1223 CB THR A 96 12.861 14.425 -16.818 1.00 0.00 C ATOM 1224 OG1 THR A 96 13.096 15.473 -15.868 1.00 0.00 O ATOM 1225 CG2 THR A 96 13.065 13.078 -16.142 1.00 0.00 C ATOM 0 H THR A 96 15.362 14.571 -16.586 1.00 0.00 H new ATOM 0 HA THR A 96 13.622 13.792 -18.733 1.00 0.00 H new ATOM 0 HB THR A 96 11.837 14.483 -17.187 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.482 15.372 -15.111 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.377 12.984 -15.302 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.874 12.279 -16.858 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.091 13.004 -15.780 1.00 0.00 H new ATOM 1233 N ASN A 97 14.487 16.876 -18.426 1.00 0.00 N ATOM 1234 CA ASN A 97 14.354 18.224 -18.965 1.00 0.00 C ATOM 1235 C ASN A 97 14.918 18.311 -20.377 1.00 0.00 C ATOM 1236 O ASN A 97 14.389 19.031 -21.224 1.00 0.00 O ATOM 1237 CB ASN A 97 15.032 19.233 -18.056 1.00 0.00 C ATOM 1238 CG ASN A 97 14.295 19.431 -16.760 1.00 0.00 C ATOM 1239 OD1 ASN A 97 13.087 19.179 -16.674 1.00 0.00 O ATOM 1240 ND2 ASN A 97 14.997 19.877 -15.751 1.00 0.00 N ATOM 0 H ASN A 97 15.315 16.734 -17.848 1.00 0.00 H new ATOM 0 HA ASN A 97 13.291 18.461 -19.013 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.048 18.901 -17.845 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.111 20.188 -18.575 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.550 20.030 -14.847 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.991 20.071 -15.868 1.00 0.00 H new ATOM 1247 N ASN A 98 15.995 17.574 -20.625 1.00 0.00 N ATOM 1248 CA ASN A 98 16.621 17.550 -21.941 1.00 0.00 C ATOM 1249 C ASN A 98 16.318 16.248 -22.672 1.00 0.00 C ATOM 1250 O ASN A 98 16.690 16.076 -23.833 1.00 0.00 O ATOM 1251 CB ASN A 98 18.120 17.761 -21.824 1.00 0.00 C ATOM 1252 CG ASN A 98 18.475 19.151 -21.376 1.00 0.00 C ATOM 1253 OD1 ASN A 98 18.228 20.129 -22.090 1.00 0.00 O ATOM 1254 ND2 ASN A 98 19.050 19.258 -20.205 1.00 0.00 N ATOM 0 H ASN A 98 16.453 16.984 -19.930 1.00 0.00 H new ATOM 0 HA ASN A 98 16.201 18.368 -22.526 1.00 0.00 H new ATOM 0 HB2 ASN A 98 18.531 17.040 -21.118 1.00 0.00 H new ATOM 0 HB3 ASN A 98 18.587 17.564 -22.789 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.313 20.177 -19.848 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.235 18.423 -19.649 1.00 0.00 H new ATOM 1261 N ALA A 99 15.642 15.334 -21.985 1.00 0.00 N ATOM 1262 CA ALA A 99 15.245 14.065 -22.584 1.00 0.00 C ATOM 1263 C ALA A 99 16.452 13.312 -23.128 1.00 0.00 C ATOM 1264 O ALA A 99 16.473 12.910 -24.291 1.00 0.00 O ATOM 1265 CB ALA A 99 14.224 14.296 -23.688 1.00 0.00 C ATOM 0 H ALA A 99 15.357 15.448 -21.012 1.00 0.00 H new ATOM 0 HA ALA A 99 14.789 13.454 -21.805 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.938 13.339 -24.125 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.342 14.783 -23.272 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.659 14.931 -24.459 1.00 0.00 H new ATOM 1271 N THR A 100 17.457 13.123 -22.279 1.00 0.00 N ATOM 1272 CA THR A 100 18.691 12.463 -22.688 1.00 0.00 C ATOM 1273 C THR A 100 19.350 11.751 -21.514 1.00 0.00 C ATOM 1274 O THR A 100 19.172 12.139 -20.360 1.00 0.00 O ATOM 1275 CB THR A 100 19.681 13.471 -23.303 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.817 12.770 -23.825 1.00 0.00 O ATOM 1277 CG2 THR A 100 20.143 14.471 -22.255 1.00 0.00 C ATOM 0 H THR A 100 17.441 13.418 -21.303 1.00 0.00 H new ATOM 0 HA THR A 100 18.426 11.723 -23.443 1.00 0.00 H new ATOM 0 HB THR A 100 19.178 14.009 -24.106 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.445 13.412 -24.217 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.842 15.175 -22.707 1.00 0.00 H new ATOM 0 HG22 THR A 100 19.282 15.014 -21.865 1.00 0.00 H new ATOM 0 HG23 THR A 100 20.637 13.942 -21.440 1.00 0.00 H new ATOM 1285 N CYS A 101 20.113 10.705 -21.815 1.00 0.00 N ATOM 1286 CA CYS A 101 20.796 9.933 -20.785 1.00 0.00 C ATOM 1287 C CYS A 101 22.228 10.416 -20.592 1.00 0.00 C ATOM 1288 O CYS A 101 22.994 10.517 -21.551 1.00 0.00 O ATOM 1289 CB CYS A 101 20.810 8.447 -21.146 1.00 0.00 C ATOM 1290 SG CYS A 101 19.165 7.712 -21.309 1.00 0.00 S ATOM 0 H CYS A 101 20.274 10.373 -22.766 1.00 0.00 H new ATOM 0 HA CYS A 101 20.248 10.075 -19.854 1.00 0.00 H new ATOM 0 HB2 CYS A 101 21.349 8.317 -22.084 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.365 7.903 -20.382 1.00 0.00 H new ATOM 1295 N GLU A 102 22.584 10.715 -19.348 1.00 0.00 N ATOM 1296 CA GLU A 102 23.911 11.230 -19.033 1.00 0.00 C ATOM 1297 C GLU A 102 24.512 10.509 -17.833 1.00 0.00 C ATOM 1298 O GLU A 102 23.795 9.890 -17.046 1.00 0.00 O ATOM 1299 CB GLU A 102 23.848 12.734 -18.758 1.00 0.00 C ATOM 1300 CG GLU A 102 23.446 13.577 -19.960 1.00 0.00 C ATOM 1301 CD GLU A 102 23.496 15.054 -19.682 1.00 0.00 C ATOM 1302 OE1 GLU A 102 23.782 15.420 -18.567 1.00 0.00 O ATOM 1303 OE2 GLU A 102 23.246 15.817 -20.585 1.00 0.00 O1- ATOM 0 H GLU A 102 21.971 10.609 -18.540 1.00 0.00 H new ATOM 0 HA GLU A 102 24.551 11.050 -19.897 1.00 0.00 H new ATOM 0 HB2 GLU A 102 23.139 12.914 -17.950 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.824 13.068 -18.406 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.107 13.347 -20.796 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.436 13.304 -20.267 1.00 0.00 H new ATOM 1310 N MET A 103 25.831 10.594 -17.698 1.00 0.00 N ATOM 1311 CA MET A 103 26.528 9.971 -16.579 1.00 0.00 C ATOM 1312 C MET A 103 26.794 10.977 -15.467 1.00 0.00 C ATOM 1313 O MET A 103 27.305 12.070 -15.715 1.00 0.00 O ATOM 1314 CB MET A 103 27.836 9.344 -17.055 1.00 0.00 C ATOM 1315 CG MET A 103 28.640 8.656 -15.961 1.00 0.00 C ATOM 1316 SD MET A 103 30.163 7.914 -16.580 1.00 0.00 S ATOM 1317 CE MET A 103 29.520 6.465 -17.412 1.00 0.00 C ATOM 0 H MET A 103 26.439 11.089 -18.350 1.00 0.00 H new ATOM 0 HA MET A 103 25.887 9.187 -16.175 1.00 0.00 H new ATOM 0 HB2 MET A 103 27.613 8.617 -17.836 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.453 10.120 -17.508 1.00 0.00 H new ATOM 0 HG2 MET A 103 28.883 9.381 -15.184 1.00 0.00 H new ATOM 0 HG3 MET A 103 28.027 7.884 -15.496 1.00 0.00 H new ATOM 0 HE1 MET A 103 30.317 5.732 -17.535 1.00 0.00 H new ATOM 0 HE2 MET A 103 28.716 6.031 -16.818 1.00 0.00 H new ATOM 0 HE3 MET A 103 29.134 6.749 -18.391 1.00 0.00 H new ATOM 1327 N PHE A 104 26.446 10.603 -14.241 1.00 0.00 N ATOM 1328 CA PHE A 104 26.650 11.471 -13.087 1.00 0.00 C ATOM 1329 C PHE A 104 27.454 10.767 -12.003 1.00 0.00 C ATOM 1330 O PHE A 104 27.572 9.541 -12.001 1.00 0.00 O ATOM 1331 CB PHE A 104 25.305 11.926 -12.517 1.00 0.00 C ATOM 1332 CG PHE A 104 24.516 12.800 -13.451 1.00 0.00 C ATOM 1333 CD1 PHE A 104 23.660 12.242 -14.388 1.00 0.00 C ATOM 1334 CD2 PHE A 104 24.628 14.181 -13.394 1.00 0.00 C ATOM 1335 CE1 PHE A 104 22.933 13.044 -15.247 1.00 0.00 C ATOM 1336 CE2 PHE A 104 23.903 14.985 -14.250 1.00 0.00 C ATOM 1337 CZ PHE A 104 23.054 14.416 -15.179 1.00 0.00 C ATOM 0 H PHE A 104 26.020 9.703 -14.020 1.00 0.00 H new ATOM 0 HA PHE A 104 27.212 12.342 -13.423 1.00 0.00 H new ATOM 0 HB2 PHE A 104 24.711 11.047 -12.267 1.00 0.00 H new ATOM 0 HB3 PHE A 104 25.479 12.468 -11.587 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.560 11.168 -14.447 1.00 0.00 H new ATOM 0 HD2 PHE A 104 25.291 14.633 -12.671 1.00 0.00 H new ATOM 0 HE1 PHE A 104 22.270 12.596 -15.972 1.00 0.00 H new ATOM 0 HE2 PHE A 104 24.000 16.059 -14.193 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.487 15.044 -15.850 1.00 0.00 H new ATOM 1347 N THR A 105 28.007 11.548 -11.081 1.00 0.00 N ATOM 1348 CA THR A 105 28.805 11.001 -9.991 1.00 0.00 C ATOM 1349 C THR A 105 27.934 10.655 -8.790 1.00 0.00 C ATOM 1350 O THR A 105 27.478 11.540 -8.066 1.00 0.00 O ATOM 1351 CB THR A 105 29.908 11.986 -9.562 1.00 0.00 C ATOM 1352 OG1 THR A 105 30.773 12.252 -10.674 1.00 0.00 O ATOM 1353 CG2 THR A 105 30.725 11.408 -8.417 1.00 0.00 C ATOM 0 H THR A 105 27.917 12.564 -11.067 1.00 0.00 H new ATOM 0 HA THR A 105 29.272 10.088 -10.361 1.00 0.00 H new ATOM 0 HB THR A 105 29.438 12.911 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 105 31.474 12.880 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.499 12.118 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 105 30.073 11.216 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 105 31.189 10.475 -8.736 1.00 0.00 H new ATOM 1361 N TYR A 106 27.706 9.362 -8.584 1.00 0.00 N ATOM 1362 CA TYR A 106 26.878 8.897 -7.478 1.00 0.00 C ATOM 1363 C TYR A 106 27.575 9.109 -6.140 1.00 0.00 C ATOM 1364 O TYR A 106 28.689 8.630 -5.927 1.00 0.00 O ATOM 1365 CB TYR A 106 26.520 7.420 -7.661 1.00 0.00 C ATOM 1366 CG TYR A 106 25.566 6.889 -6.614 1.00 0.00 C ATOM 1367 CD1 TYR A 106 24.375 7.553 -6.360 1.00 0.00 C ATOM 1368 CD2 TYR A 106 25.882 5.738 -5.909 1.00 0.00 C ATOM 1369 CE1 TYR A 106 23.504 7.068 -5.403 1.00 0.00 C ATOM 1370 CE2 TYR A 106 25.011 5.252 -4.953 1.00 0.00 C ATOM 1371 CZ TYR A 106 23.827 5.913 -4.699 1.00 0.00 C ATOM 1372 OH TYR A 106 22.959 5.430 -3.747 1.00 0.00 O ATOM 0 H TYR A 106 28.084 8.617 -9.169 1.00 0.00 H new ATOM 0 HA TYR A 106 25.960 9.485 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 106 26.076 7.283 -8.647 1.00 0.00 H new ATOM 0 HB3 TYR A 106 27.435 6.828 -7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 106 24.128 8.449 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 106 26.809 5.221 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 106 22.576 7.584 -5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 106 25.257 4.355 -4.405 1.00 0.00 H new ATOM 0 HH TYR A 106 22.063 5.792 -3.908 1.00 0.00 H new ATOM 1382 N GLY A 107 26.914 9.829 -5.241 1.00 0.00 N ATOM 1383 CA GLY A 107 27.530 10.243 -3.986 1.00 0.00 C ATOM 1384 C GLY A 107 27.301 9.208 -2.892 1.00 0.00 C ATOM 1385 O GLY A 107 27.966 9.229 -1.856 1.00 0.00 O ATOM 0 H GLY A 107 25.949 10.139 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.600 10.389 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.117 11.203 -3.675 1.00 0.00 H new ATOM 1389 N GLY A 108 26.358 8.303 -3.129 1.00 0.00 N ATOM 1390 CA GLY A 108 26.110 7.197 -2.212 1.00 0.00 C ATOM 1391 C GLY A 108 24.965 7.518 -1.259 1.00 0.00 C ATOM 1392 O GLY A 108 24.847 6.916 -0.191 1.00 0.00 O ATOM 0 H GLY A 108 25.752 8.314 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.873 6.297 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.014 6.985 -1.641 1.00 0.00 H new ATOM 1396 N ILE A 109 24.124 8.468 -1.651 1.00 0.00 N ATOM 1397 CA ILE A 109 23.004 8.891 -0.819 1.00 0.00 C ATOM 1398 C ILE A 109 21.676 8.437 -1.411 1.00 0.00 C ATOM 1399 O ILE A 109 21.008 9.195 -2.115 1.00 0.00 O ATOM 1400 CB ILE A 109 22.994 10.421 -0.648 1.00 0.00 C ATOM 1401 CG1 ILE A 109 24.345 10.908 -0.116 1.00 0.00 C ATOM 1402 CG2 ILE A 109 21.868 10.845 0.282 1.00 0.00 C ATOM 1403 CD1 ILE A 109 24.713 10.332 1.233 1.00 0.00 C ATOM 0 H ILE A 109 24.197 8.961 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 109 23.131 8.424 0.158 1.00 0.00 H new ATOM 0 HB ILE A 109 22.824 10.878 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 109 25.122 10.650 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 109 24.326 11.995 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 109 21.876 11.929 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 109 20.912 10.529 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 109 22.008 10.381 1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 109 25.682 10.723 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 109 23.957 10.612 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 109 24.766 9.246 1.163 1.00 0.00 H new ATOM 1415 N THR A 110 21.298 7.197 -1.122 1.00 0.00 N ATOM 1416 CA THR A 110 20.024 6.657 -1.581 1.00 0.00 C ATOM 1417 C THR A 110 19.787 6.981 -3.051 1.00 0.00 C ATOM 1418 O THR A 110 20.678 6.818 -3.884 1.00 0.00 O ATOM 1419 CB THR A 110 18.856 7.199 -0.737 1.00 0.00 C ATOM 1420 OG1 THR A 110 18.677 8.596 -1.005 1.00 0.00 O ATOM 1421 CG2 THR A 110 19.133 7.003 0.746 1.00 0.00 C ATOM 0 H THR A 110 21.857 6.546 -0.571 1.00 0.00 H new ATOM 0 HA THR A 110 20.071 5.574 -1.463 1.00 0.00 H new ATOM 0 HB THR A 110 17.951 6.652 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 110 19.378 8.904 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 110 18.297 7.392 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 110 19.257 5.941 0.956 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.044 7.536 1.020 1.00 0.00 H new ATOM 1429 N GLY A 111 18.579 7.440 -3.363 1.00 0.00 N ATOM 1430 CA GLY A 111 18.211 7.754 -4.738 1.00 0.00 C ATOM 1431 C GLY A 111 16.786 7.309 -5.042 1.00 0.00 C ATOM 1432 O GLY A 111 16.061 6.866 -4.152 1.00 0.00 O ATOM 0 H GLY A 111 17.838 7.603 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.303 8.827 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 111 18.902 7.263 -5.423 1.00 0.00 H new ATOM 1436 N ASN A 112 16.391 7.430 -6.305 1.00 0.00 N ATOM 1437 CA ASN A 112 15.061 7.014 -6.734 1.00 0.00 C ATOM 1438 C ASN A 112 15.137 6.084 -7.938 1.00 0.00 C ATOM 1439 O ASN A 112 16.213 5.607 -8.299 1.00 0.00 O ATOM 1440 CB ASN A 112 14.199 8.223 -7.047 1.00 0.00 C ATOM 1441 CG ASN A 112 14.727 9.026 -8.203 1.00 0.00 C ATOM 1442 OD1 ASN A 112 15.161 8.467 -9.217 1.00 0.00 O ATOM 1443 ND2 ASN A 112 14.699 10.328 -8.071 1.00 0.00 N ATOM 0 H ASN A 112 16.973 7.813 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 112 14.601 6.463 -5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.185 7.893 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 112 14.139 8.860 -6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.044 10.924 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.332 10.746 -7.216 1.00 0.00 H new ATOM 1450 N LYS A 113 13.989 5.829 -8.556 1.00 0.00 N ATOM 1451 CA LYS A 113 13.897 4.842 -9.625 1.00 0.00 C ATOM 1452 C LYS A 113 14.789 5.219 -10.801 1.00 0.00 C ATOM 1453 O LYS A 113 15.312 4.351 -11.499 1.00 0.00 O ATOM 1454 CB LYS A 113 12.448 4.692 -10.092 1.00 0.00 C ATOM 1455 CG LYS A 113 11.522 4.043 -9.071 1.00 0.00 C ATOM 1456 CD LYS A 113 10.140 3.797 -9.657 1.00 0.00 C ATOM 1457 CE LYS A 113 10.141 2.604 -10.601 1.00 0.00 C ATOM 1458 NZ LYS A 113 10.357 1.322 -9.877 1.00 0.00 N1+ ATOM 0 H LYS A 113 13.108 6.293 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 113 14.242 3.887 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.057 5.677 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.433 4.099 -11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.951 3.098 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.439 4.684 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.427 3.624 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.807 4.686 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.192 2.563 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.923 2.734 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.189 0.837 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.514 1.516 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.519 0.716 -9.987 1.00 0.00 H new ATOM 1472 N ASN A 114 14.959 6.520 -11.015 1.00 0.00 N ATOM 1473 CA ASN A 114 15.828 7.014 -12.076 1.00 0.00 C ATOM 1474 C ASN A 114 17.295 6.777 -11.741 1.00 0.00 C ATOM 1475 O ASN A 114 17.972 7.660 -11.215 1.00 0.00 O ATOM 1476 CB ASN A 114 15.571 8.487 -12.334 1.00 0.00 C ATOM 1477 CG ASN A 114 16.312 9.001 -13.537 1.00 0.00 C ATOM 1478 OD1 ASN A 114 17.277 8.381 -13.999 1.00 0.00 O ATOM 1479 ND2 ASN A 114 15.882 10.125 -14.052 1.00 0.00 N ATOM 0 H ASN A 114 14.506 7.251 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 114 15.597 6.458 -12.984 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.502 8.646 -12.475 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.866 9.063 -11.457 1.00 0.00 H new ATOM 0 HD21 ASN A 114 16.347 10.523 -14.868 1.00 0.00 H new ATOM 0 HD22 ASN A 114 15.082 10.603 -13.638 1.00 0.00 H new ATOM 1486 N ASN A 115 17.781 5.580 -12.050 1.00 0.00 N ATOM 1487 CA ASN A 115 19.135 5.184 -11.681 1.00 0.00 C ATOM 1488 C ASN A 115 19.549 3.904 -12.396 1.00 0.00 C ATOM 1489 O ASN A 115 19.129 2.809 -12.022 1.00 0.00 O ATOM 1490 CB ASN A 115 19.251 5.017 -10.177 1.00 0.00 C ATOM 1491 CG ASN A 115 20.658 4.723 -9.735 1.00 0.00 C ATOM 1492 OD1 ASN A 115 21.512 4.351 -10.547 1.00 0.00 O ATOM 1493 ND2 ASN A 115 20.915 4.883 -8.461 1.00 0.00 N ATOM 0 H ASN A 115 17.257 4.866 -12.556 1.00 0.00 H new ATOM 0 HA ASN A 115 19.813 5.977 -11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 115 18.902 5.926 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 115 18.596 4.208 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 115 21.852 4.699 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 115 20.178 5.192 -7.827 1.00 0.00 H new ATOM 1500 N PHE A 116 20.376 4.049 -13.425 1.00 0.00 N ATOM 1501 CA PHE A 116 20.634 2.960 -14.360 1.00 0.00 C ATOM 1502 C PHE A 116 22.098 2.542 -14.329 1.00 0.00 C ATOM 1503 O PHE A 116 22.976 3.344 -14.009 1.00 0.00 O ATOM 1504 CB PHE A 116 20.246 3.373 -15.781 1.00 0.00 C ATOM 1505 CG PHE A 116 18.833 3.866 -15.905 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.554 5.225 -15.895 1.00 0.00 C ATOM 1507 CD2 PHE A 116 17.779 2.973 -16.030 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.253 5.680 -16.009 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.479 3.425 -16.145 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.216 4.780 -16.134 1.00 0.00 C ATOM 0 H PHE A 116 20.880 4.911 -13.633 1.00 0.00 H new ATOM 0 HA PHE A 116 20.025 2.109 -14.054 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.925 4.156 -16.120 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.383 2.521 -16.447 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.362 5.935 -15.797 1.00 0.00 H new ATOM 0 HD2 PHE A 116 17.977 1.911 -16.037 1.00 0.00 H new ATOM 0 HE1 PHE A 116 17.049 6.741 -16.000 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.668 2.718 -16.244 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.200 5.135 -16.223 1.00 0.00 H new ATOM 1520 N GLU A 117 22.356 1.282 -14.664 1.00 0.00 N ATOM 1521 CA GLU A 117 23.717 0.760 -14.691 1.00 0.00 C ATOM 1522 C GLU A 117 24.416 1.112 -15.998 1.00 0.00 C ATOM 1523 O GLU A 117 25.641 1.220 -16.049 1.00 0.00 O ATOM 1524 CB GLU A 117 23.709 -0.758 -14.498 1.00 0.00 C ATOM 1525 CG GLU A 117 23.239 -1.215 -13.125 1.00 0.00 C ATOM 1526 CD GLU A 117 24.217 -0.887 -12.032 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.396 -0.894 -12.294 1.00 0.00 O ATOM 1528 OE2 GLU A 117 23.785 -0.627 -10.933 1.00 0.00 O1- ATOM 0 H GLU A 117 21.639 0.603 -14.921 1.00 0.00 H new ATOM 0 HA GLU A 117 24.268 1.223 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 117 23.066 -1.205 -15.256 1.00 0.00 H new ATOM 0 HB3 GLU A 117 24.716 -1.139 -14.669 1.00 0.00 H new ATOM 0 HG2 GLU A 117 22.281 -0.747 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 117 23.071 -2.292 -13.144 1.00 0.00 H new ATOM 1535 N SER A 118 23.629 1.290 -17.054 1.00 0.00 N ATOM 1536 CA SER A 118 24.176 1.532 -18.384 1.00 0.00 C ATOM 1537 C SER A 118 23.283 2.472 -19.184 1.00 0.00 C ATOM 1538 O SER A 118 22.098 2.623 -18.885 1.00 0.00 O ATOM 1539 CB SER A 118 24.339 0.221 -19.127 1.00 0.00 C ATOM 1540 OG SER A 118 23.094 -0.354 -19.413 1.00 0.00 O ATOM 0 H SER A 118 22.610 1.271 -17.014 1.00 0.00 H new ATOM 0 HA SER A 118 25.151 2.005 -18.266 1.00 0.00 H new ATOM 0 HB2 SER A 118 24.887 0.390 -20.054 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.933 -0.469 -18.528 1.00 0.00 H new ATOM 0 HG SER A 118 23.226 -1.198 -19.894 1.00 0.00 H new ATOM 1546 N GLU A 119 23.858 3.101 -20.203 1.00 0.00 N ATOM 1547 CA GLU A 119 23.089 3.933 -21.122 1.00 0.00 C ATOM 1548 C GLU A 119 21.968 3.138 -21.777 1.00 0.00 C ATOM 1549 O GLU A 119 20.870 3.653 -21.989 1.00 0.00 O ATOM 1550 CB GLU A 119 24.003 4.525 -22.197 1.00 0.00 C ATOM 1551 CG GLU A 119 23.303 5.463 -23.170 1.00 0.00 C ATOM 1552 CD GLU A 119 24.239 6.056 -24.186 1.00 0.00 C ATOM 1553 OE1 GLU A 119 25.426 5.879 -24.048 1.00 0.00 O ATOM 1554 OE2 GLU A 119 23.767 6.688 -25.102 1.00 0.00 O1- ATOM 0 H GLU A 119 24.855 3.051 -20.414 1.00 0.00 H new ATOM 0 HA GLU A 119 22.643 4.743 -20.545 1.00 0.00 H new ATOM 0 HB2 GLU A 119 24.814 5.066 -21.710 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.457 3.710 -22.760 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.512 4.919 -23.686 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.824 6.267 -22.611 1.00 0.00 H new ATOM 1561 N GLU A 120 22.250 1.879 -22.097 1.00 0.00 N ATOM 1562 CA GLU A 120 21.249 0.994 -22.679 1.00 0.00 C ATOM 1563 C GLU A 120 20.013 0.901 -21.793 1.00 0.00 C ATOM 1564 O GLU A 120 18.889 1.088 -22.258 1.00 0.00 O ATOM 1565 CB GLU A 120 21.836 -0.402 -22.901 1.00 0.00 C ATOM 1566 CG GLU A 120 20.869 -1.399 -23.524 1.00 0.00 C ATOM 1567 CD GLU A 120 21.487 -2.750 -23.751 1.00 0.00 C ATOM 1568 OE1 GLU A 120 22.650 -2.906 -23.464 1.00 0.00 O ATOM 1569 OE2 GLU A 120 20.796 -3.628 -24.212 1.00 0.00 O1- ATOM 0 H GLU A 120 23.165 1.449 -21.963 1.00 0.00 H new ATOM 0 HA GLU A 120 20.951 1.414 -23.640 1.00 0.00 H new ATOM 0 HB2 GLU A 120 22.713 -0.316 -23.542 1.00 0.00 H new ATOM 0 HB3 GLU A 120 22.178 -0.796 -21.944 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.999 -1.507 -22.876 1.00 0.00 H new ATOM 0 HG3 GLU A 120 20.511 -1.004 -24.475 1.00 0.00 H new ATOM 1576 N GLU A 121 20.229 0.611 -20.515 1.00 0.00 N ATOM 1577 CA GLU A 121 19.134 0.505 -19.558 1.00 0.00 C ATOM 1578 C GLU A 121 18.330 1.797 -19.496 1.00 0.00 C ATOM 1579 O GLU A 121 17.099 1.773 -19.475 1.00 0.00 O ATOM 1580 CB GLU A 121 19.672 0.160 -18.167 1.00 0.00 C ATOM 1581 CG GLU A 121 20.181 -1.267 -18.026 1.00 0.00 C ATOM 1582 CD GLU A 121 20.705 -1.568 -16.650 1.00 0.00 C ATOM 1583 OE1 GLU A 121 20.688 -0.688 -15.823 1.00 0.00 O ATOM 1584 OE2 GLU A 121 21.123 -2.679 -16.425 1.00 0.00 O1- ATOM 0 H GLU A 121 21.153 0.445 -20.117 1.00 0.00 H new ATOM 0 HA GLU A 121 18.474 -0.294 -19.895 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.482 0.847 -17.923 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.882 0.325 -17.434 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.374 -1.960 -18.261 1.00 0.00 H new ATOM 0 HG3 GLU A 121 20.972 -1.439 -18.756 1.00 0.00 H new ATOM 1591 N CYS A 122 19.032 2.924 -19.466 1.00 0.00 N ATOM 1592 CA CYS A 122 18.384 4.230 -19.439 1.00 0.00 C ATOM 1593 C CYS A 122 17.423 4.393 -20.609 1.00 0.00 C ATOM 1594 O CYS A 122 16.233 4.645 -20.418 1.00 0.00 O ATOM 1595 CB CYS A 122 19.426 5.349 -19.482 1.00 0.00 C ATOM 1596 SG CYS A 122 18.722 7.015 -19.454 1.00 0.00 S ATOM 0 H CYS A 122 20.051 2.960 -19.460 1.00 0.00 H new ATOM 0 HA CYS A 122 17.820 4.295 -18.509 1.00 0.00 H new ATOM 0 HB2 CYS A 122 20.100 5.236 -18.632 1.00 0.00 H new ATOM 0 HB3 CYS A 122 20.028 5.236 -20.383 1.00 0.00 H new ATOM 1601 N LYS A 123 17.946 4.247 -21.822 1.00 0.00 N ATOM 1602 CA LYS A 123 17.175 4.528 -23.027 1.00 0.00 C ATOM 1603 C LYS A 123 16.060 3.508 -23.218 1.00 0.00 C ATOM 1604 O LYS A 123 14.934 3.863 -23.569 1.00 0.00 O ATOM 1605 CB LYS A 123 18.088 4.545 -24.255 1.00 0.00 C ATOM 1606 CG LYS A 123 19.013 5.752 -24.334 1.00 0.00 C ATOM 1607 CD LYS A 123 19.902 5.687 -25.566 1.00 0.00 C ATOM 1608 CE LYS A 123 20.733 6.952 -25.718 1.00 0.00 C ATOM 1609 NZ LYS A 123 21.688 6.858 -26.856 1.00 0.00 N1+ ATOM 0 H LYS A 123 18.901 3.935 -21.996 1.00 0.00 H new ATOM 0 HA LYS A 123 16.720 5.512 -22.910 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.693 3.638 -24.256 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.470 4.517 -25.153 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.420 6.666 -24.359 1.00 0.00 H new ATOM 0 HG3 LYS A 123 19.632 5.798 -23.438 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.562 4.823 -25.495 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.286 5.546 -26.454 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.071 7.805 -25.870 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.284 7.137 -24.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.662 6.845 -26.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 21.507 5.984 -27.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.563 7.679 -27.482 1.00 0.00 H new ATOM 1623 N GLU A 124 16.379 2.239 -22.985 1.00 0.00 N ATOM 1624 CA GLU A 124 15.435 1.155 -23.228 1.00 0.00 C ATOM 1625 C GLU A 124 14.287 1.189 -22.227 1.00 0.00 C ATOM 1626 O GLU A 124 13.151 0.851 -22.559 1.00 0.00 O ATOM 1627 CB GLU A 124 16.146 -0.198 -23.157 1.00 0.00 C ATOM 1628 CG GLU A 124 17.122 -0.456 -24.296 1.00 0.00 C ATOM 1629 CD GLU A 124 16.465 -0.422 -25.648 1.00 0.00 C ATOM 1630 OE1 GLU A 124 15.452 -1.057 -25.811 1.00 0.00 O ATOM 1631 OE2 GLU A 124 16.978 0.241 -26.519 1.00 0.00 O1- ATOM 0 H GLU A 124 17.285 1.936 -22.628 1.00 0.00 H new ATOM 0 HA GLU A 124 15.023 1.291 -24.228 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.685 -0.262 -22.212 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.396 -0.989 -23.151 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.915 0.291 -24.264 1.00 0.00 H new ATOM 0 HG3 GLU A 124 17.593 -1.428 -24.151 1.00 0.00 H new ATOM 1638 N THR A 125 14.590 1.600 -21.001 1.00 0.00 N ATOM 1639 CA THR A 125 13.564 1.808 -19.986 1.00 0.00 C ATOM 1640 C THR A 125 12.591 2.903 -20.404 1.00 0.00 C ATOM 1641 O THR A 125 11.379 2.770 -20.230 1.00 0.00 O ATOM 1642 CB THR A 125 14.192 2.165 -18.627 1.00 0.00 C ATOM 1643 OG1 THR A 125 14.995 1.070 -18.166 1.00 0.00 O ATOM 1644 CG2 THR A 125 13.109 2.462 -17.600 1.00 0.00 C ATOM 0 H THR A 125 15.540 1.796 -20.685 1.00 0.00 H new ATOM 0 HA THR A 125 13.016 0.871 -19.885 1.00 0.00 H new ATOM 0 HB THR A 125 14.813 3.052 -18.753 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.802 1.001 -18.718 1.00 0.00 H new ATOM 0 HG21 THR A 125 13.572 2.712 -16.645 1.00 0.00 H new ATOM 0 HG22 THR A 125 12.504 3.302 -17.942 1.00 0.00 H new ATOM 0 HG23 THR A 125 12.474 1.585 -17.476 1.00 0.00 H new ATOM 1652 N CYS A 126 13.128 3.986 -20.954 1.00 0.00 N ATOM 1653 CA CYS A 126 12.304 5.086 -21.443 1.00 0.00 C ATOM 1654 C CYS A 126 11.448 4.651 -22.625 1.00 0.00 C ATOM 1655 O CYS A 126 10.322 5.118 -22.794 1.00 0.00 O ATOM 1656 CB CYS A 126 13.179 6.268 -21.862 1.00 0.00 C ATOM 1657 SG CYS A 126 14.045 7.069 -20.490 1.00 0.00 S ATOM 0 H CYS A 126 14.131 4.126 -21.073 1.00 0.00 H new ATOM 0 HA CYS A 126 11.648 5.390 -20.627 1.00 0.00 H new ATOM 0 HB2 CYS A 126 13.914 5.922 -22.589 1.00 0.00 H new ATOM 0 HB3 CYS A 126 12.556 7.007 -22.365 1.00 0.00 H new ATOM 1662 N LYS A 127 11.989 3.752 -23.441 1.00 0.00 N ATOM 1663 CA LYS A 127 11.225 3.143 -24.523 1.00 0.00 C ATOM 1664 C LYS A 127 10.076 2.302 -23.981 1.00 0.00 C ATOM 1665 O LYS A 127 8.980 2.295 -24.542 1.00 0.00 O ATOM 1666 CB LYS A 127 12.134 2.285 -25.404 1.00 0.00 C ATOM 1667 CG LYS A 127 13.126 3.078 -26.245 1.00 0.00 C ATOM 1668 CD LYS A 127 14.025 2.156 -27.055 1.00 0.00 C ATOM 1669 CE LYS A 127 15.118 2.937 -27.771 1.00 0.00 C ATOM 1670 NZ LYS A 127 16.043 2.041 -28.518 1.00 0.00 N1+ ATOM 0 H LYS A 127 12.954 3.429 -23.373 1.00 0.00 H new ATOM 0 HA LYS A 127 10.804 3.947 -25.126 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.687 1.593 -24.769 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.513 1.683 -26.068 1.00 0.00 H new ATOM 0 HG2 LYS A 127 12.585 3.745 -26.917 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.736 3.706 -25.596 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.477 1.415 -26.396 1.00 0.00 H new ATOM 0 HD3 LYS A 127 13.427 1.611 -27.785 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.663 3.647 -28.462 1.00 0.00 H new ATOM 0 HE3 LYS A 127 15.685 3.518 -27.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 16.802 2.607 -28.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 16.458 1.347 -27.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.517 1.542 -29.264 1.00 0.00 H new ATOM 1684 N GLY A 128 10.333 1.594 -22.887 1.00 0.00 N ATOM 1685 CA GLY A 128 9.308 0.783 -22.240 1.00 0.00 C ATOM 1686 C GLY A 128 9.726 -0.680 -22.169 1.00 0.00 C ATOM 1687 O GLY A 128 8.894 -1.580 -22.281 1.00 0.00 O ATOM 0 H GLY A 128 11.244 1.565 -22.429 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.123 1.160 -21.234 1.00 0.00 H new ATOM 0 HA3 GLY A 128 8.371 0.870 -22.790 1.00 0.00 H new ATOM 1691 N PHE A 129 11.021 -0.911 -21.982 1.00 0.00 N ATOM 1692 CA PHE A 129 11.551 -2.265 -21.877 1.00 0.00 C ATOM 1693 C PHE A 129 12.258 -2.479 -20.545 1.00 0.00 C ATOM 1694 O PHE A 129 12.857 -1.555 -19.994 1.00 0.00 O ATOM 1695 CB PHE A 129 12.519 -2.551 -23.026 1.00 0.00 C ATOM 1696 CG PHE A 129 11.884 -2.481 -24.385 1.00 0.00 C ATOM 1697 CD1 PHE A 129 11.979 -1.329 -25.152 1.00 0.00 C ATOM 1698 CD2 PHE A 129 11.190 -3.565 -24.900 1.00 0.00 C ATOM 1699 CE1 PHE A 129 11.395 -1.263 -26.403 1.00 0.00 C ATOM 1700 CE2 PHE A 129 10.606 -3.502 -26.150 1.00 0.00 C ATOM 1701 CZ PHE A 129 10.708 -2.349 -26.902 1.00 0.00 C ATOM 0 H PHE A 129 11.724 -0.176 -21.900 1.00 0.00 H new ATOM 0 HA PHE A 129 10.709 -2.955 -21.936 1.00 0.00 H new ATOM 0 HB2 PHE A 129 13.341 -1.837 -22.982 1.00 0.00 H new ATOM 0 HB3 PHE A 129 12.950 -3.542 -22.887 1.00 0.00 H new ATOM 0 HD1 PHE A 129 12.515 -0.474 -24.767 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.105 -4.470 -24.317 1.00 0.00 H new ATOM 0 HE1 PHE A 129 11.477 -0.360 -26.990 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.070 -4.355 -26.539 1.00 0.00 H new ATOM 0 HZ PHE A 129 10.251 -2.298 -27.879 1.00 0.00 H new