USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=25 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 35 SER OG : rot 35:sc= 1.21 USER MOD Set 1.2: A 56 ASN : amide:sc= 1.4 K(o=2.6,f=-12!) USER MOD Set 2.1: A 33 HIS : no HE2:sc= 1.84 K(o=3.8,f=-9.3!) USER MOD Set 2.2: A 46 GLN : amide:sc= 1.95 K(o=3.8,f=0.84) USER MOD Set 3.1: A 14 SER OG : rot 113:sc= 1.02 USER MOD Set 3.2: A 67 SER OG : rot 86:sc= 2.06 USER MOD Single : A 17 SER OG : rot -93:sc= 1.25 USER MOD Single : A 23 GLN : amide:sc= -0.981 X(o=-0.98,f=-0.94) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -152:sc= 1.22 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 37 ASN : amide:sc= -0.627 K(o=-0.63,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -12:sc= 0.0816 USER MOD Single : A 42 GLN : amide:sc= 0.273 K(o=0.27,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 53:sc= 0.414 USER MOD Single : A 57 HIS : no HD1:sc= 0.62 K(o=0.62,f=-2.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0594 K(o=-0.059,f=-4.3!) USER MOD Single : A 69 ASN : amide:sc= -0.581 K(o=-0.58,f=-3.1!) USER MOD Single : A 77 SER OG : rot -79:sc= 1.29 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 93 TYR OH : rot 40:sc= 0.0717 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 97 ASN : amide:sc= 0.608 K(o=0.61,f=-1.3!) USER MOD Single : A 98 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0023) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 172:sc= 0 (180deg=-0.0837) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 4:sc= 1.27 USER MOD Single : A 110 THR OG1 : rot -5:sc= 0.505 USER MOD Single : A 112 ASN : amide:sc= 0.713 K(o=0.71,f=-8.8!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.0783 K(o=0.078,f=-7.7!) USER MOD Single : A 115 ASN : amide:sc= 0.342 K(o=0.34,f=-15!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 143:sc= 1.3 (180deg=0.995) USER MOD Single : A 125 THR OG1 : rot 105:sc= 1.3 USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 14 3.138 1.996 0.558 1.00 0.00 N ATOM 17 CA SER A 14 3.664 3.321 0.863 1.00 0.00 C ATOM 18 C SER A 14 4.040 4.071 -0.409 1.00 0.00 C ATOM 19 O SER A 14 4.107 5.300 -0.420 1.00 0.00 O ATOM 20 CB SER A 14 4.875 3.207 1.768 1.00 0.00 C ATOM 21 OG SER A 14 5.958 2.633 1.089 1.00 0.00 O ATOM 0 HA SER A 14 2.882 3.883 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.154 4.195 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.626 2.602 2.640 1.00 0.00 H new ATOM 0 HG SER A 14 6.667 3.301 0.980 1.00 0.00 H new ATOM 27 N TRP A 15 4.283 3.324 -1.481 1.00 0.00 N ATOM 28 CA TRP A 15 4.776 3.904 -2.724 1.00 0.00 C ATOM 29 C TRP A 15 3.776 4.898 -3.302 1.00 0.00 C ATOM 30 O TRP A 15 4.140 5.774 -4.086 1.00 0.00 O ATOM 31 CB TRP A 15 5.060 2.806 -3.750 1.00 0.00 C ATOM 32 CG TRP A 15 3.837 2.046 -4.166 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.431 0.833 -3.695 1.00 0.00 C ATOM 34 CD2 TRP A 15 2.848 2.446 -5.146 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.265 0.452 -4.311 1.00 0.00 N ATOM 36 CE2 TRP A 15 1.893 1.428 -5.201 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.700 3.571 -5.967 1.00 0.00 C ATOM 38 CZ2 TRP A 15 0.798 1.494 -6.048 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.601 3.638 -6.816 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.675 2.626 -6.854 1.00 0.00 C ATOM 0 H TRP A 15 4.146 2.314 -1.513 1.00 0.00 H new ATOM 0 HA TRP A 15 5.701 4.434 -2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.518 3.254 -4.632 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.787 2.109 -3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.951 0.255 -2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 15 1.758 -0.415 -4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.425 4.371 -5.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.068 0.699 -6.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.474 4.499 -7.455 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.169 2.708 -7.523 1.00 0.00 H new ATOM 51 N VAL A 16 2.515 4.757 -2.909 1.00 0.00 N ATOM 52 CA VAL A 16 1.456 5.627 -3.406 1.00 0.00 C ATOM 53 C VAL A 16 1.673 7.068 -2.961 1.00 0.00 C ATOM 54 O VAL A 16 1.193 8.004 -3.600 1.00 0.00 O ATOM 55 CB VAL A 16 0.084 5.140 -2.904 1.00 0.00 C ATOM 56 CG1 VAL A 16 -0.100 5.488 -1.434 1.00 0.00 C ATOM 57 CG2 VAL A 16 -1.024 5.754 -3.747 1.00 0.00 C ATOM 0 H VAL A 16 2.201 4.047 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 16 1.481 5.590 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 16 0.036 4.055 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.075 5.136 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.682 5.008 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.040 6.569 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.992 5.405 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.979 6.840 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.896 5.457 -4.788 1.00 0.00 H new ATOM 67 N SER A 17 2.400 7.239 -1.862 1.00 0.00 N ATOM 68 CA SER A 17 2.615 8.561 -1.284 1.00 0.00 C ATOM 69 C SER A 17 3.473 9.428 -2.197 1.00 0.00 C ATOM 70 O SER A 17 3.476 10.653 -2.082 1.00 0.00 O ATOM 71 CB SER A 17 3.275 8.435 0.075 1.00 0.00 C ATOM 72 OG SER A 17 2.408 7.841 1.002 1.00 0.00 O ATOM 0 H SER A 17 2.851 6.478 -1.353 1.00 0.00 H new ATOM 0 HA SER A 17 1.643 9.041 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.184 7.839 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.573 9.421 0.431 1.00 0.00 H new ATOM 0 HG SER A 17 1.918 8.539 1.485 1.00 0.00 H new ATOM 78 N CYS A 18 4.200 8.784 -3.104 1.00 0.00 N ATOM 79 CA CYS A 18 5.063 9.496 -4.039 1.00 0.00 C ATOM 80 C CYS A 18 4.255 10.111 -5.175 1.00 0.00 C ATOM 81 O CYS A 18 4.757 10.949 -5.924 1.00 0.00 O ATOM 82 CB CYS A 18 6.117 8.554 -4.622 1.00 0.00 C ATOM 83 SG CYS A 18 7.323 7.957 -3.414 1.00 0.00 S ATOM 0 H CYS A 18 4.209 7.770 -3.211 1.00 0.00 H new ATOM 0 HA CYS A 18 5.556 10.295 -3.485 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.614 7.698 -5.071 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.646 9.070 -5.423 1.00 0.00 H new ATOM 88 N LEU A 19 3.001 9.690 -5.297 1.00 0.00 N ATOM 89 CA LEU A 19 2.099 10.250 -6.297 1.00 0.00 C ATOM 90 C LEU A 19 1.033 11.124 -5.650 1.00 0.00 C ATOM 91 O LEU A 19 0.471 12.013 -6.291 1.00 0.00 O ATOM 92 CB LEU A 19 1.430 9.125 -7.097 1.00 0.00 C ATOM 93 CG LEU A 19 2.381 8.200 -7.867 1.00 0.00 C ATOM 94 CD1 LEU A 19 1.577 7.108 -8.560 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.178 9.016 -8.874 1.00 0.00 C ATOM 0 H LEU A 19 2.586 8.962 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 19 2.690 10.871 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.839 8.518 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.734 9.573 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 19 3.080 7.727 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.253 6.451 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.032 6.529 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.870 7.562 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.854 8.359 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.495 9.498 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.757 9.776 -8.350 1.00 0.00 H new ATOM 107 N ASP A 20 0.758 10.868 -4.375 1.00 0.00 N ATOM 108 CA ASP A 20 -0.248 11.625 -3.641 1.00 0.00 C ATOM 109 C ASP A 20 0.180 13.075 -3.456 1.00 0.00 C ATOM 110 O ASP A 20 1.370 13.388 -3.476 1.00 0.00 O ATOM 111 CB ASP A 20 -0.509 10.986 -2.275 1.00 0.00 C ATOM 112 CG ASP A 20 -1.306 9.691 -2.369 1.00 0.00 C ATOM 113 OD1 ASP A 20 -1.900 9.455 -3.394 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.313 8.951 -1.414 1.00 0.00 O1- ATOM 0 H ASP A 20 1.219 10.141 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.167 11.608 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.444 10.786 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.048 11.694 -1.645 1.00 0.00 H new ATOM 119 N PRO A 21 -0.798 13.957 -3.277 1.00 0.00 N ATOM 120 CA PRO A 21 -0.523 15.375 -3.076 1.00 0.00 C ATOM 121 C PRO A 21 0.428 15.591 -1.906 1.00 0.00 C ATOM 122 O PRO A 21 0.324 14.923 -0.877 1.00 0.00 O ATOM 123 CB PRO A 21 -1.911 15.957 -2.790 1.00 0.00 C ATOM 124 CG PRO A 21 -2.846 15.042 -3.505 1.00 0.00 C ATOM 125 CD PRO A 21 -2.247 13.674 -3.316 1.00 0.00 C ATOM 0 HA PRO A 21 -0.032 15.845 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.119 15.983 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.997 16.980 -3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.852 15.097 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.924 15.299 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.593 13.204 -2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.506 13.002 -4.134 1.00 0.00 H new ATOM 133 N GLU A 22 1.356 16.528 -2.069 1.00 0.00 N ATOM 134 CA GLU A 22 2.348 16.812 -1.039 1.00 0.00 C ATOM 135 C GLU A 22 1.682 17.177 0.281 1.00 0.00 C ATOM 136 O GLU A 22 0.728 17.954 0.312 1.00 0.00 O ATOM 137 CB GLU A 22 3.271 17.947 -1.487 1.00 0.00 C ATOM 138 CG GLU A 22 4.231 17.573 -2.607 1.00 0.00 C ATOM 139 CD GLU A 22 3.607 17.678 -3.971 1.00 0.00 C ATOM 140 OE1 GLU A 22 2.476 18.091 -4.056 1.00 0.00 O ATOM 141 OE2 GLU A 22 4.264 17.344 -4.930 1.00 0.00 O1- ATOM 0 H GLU A 22 1.442 17.104 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 22 2.939 15.909 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.660 18.788 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.849 18.289 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.105 18.223 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.583 16.553 -2.452 1.00 0.00 H new ATOM 148 N GLN A 23 2.191 16.611 1.371 1.00 0.00 N ATOM 149 CA GLN A 23 1.681 16.917 2.702 1.00 0.00 C ATOM 150 C GLN A 23 1.791 18.406 3.005 1.00 0.00 C ATOM 151 O GLN A 23 2.842 19.014 2.805 1.00 0.00 O ATOM 152 CB GLN A 23 2.435 16.110 3.763 1.00 0.00 C ATOM 153 CG GLN A 23 2.124 16.519 5.192 1.00 0.00 C ATOM 154 CD GLN A 23 0.679 16.256 5.569 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.180 15.136 5.429 1.00 0.00 O ATOM 156 NE2 GLN A 23 -0.004 17.289 6.050 1.00 0.00 N ATOM 0 H GLN A 23 2.957 15.937 1.358 1.00 0.00 H new ATOM 0 HA GLN A 23 0.627 16.640 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.195 15.054 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.506 16.216 3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.779 15.975 5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.342 17.579 5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.448 18.198 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.981 17.173 6.320 1.00 0.00 H new ATOM 165 N VAL A 24 0.699 18.988 3.490 1.00 0.00 N ATOM 166 CA VAL A 24 0.658 20.415 3.784 1.00 0.00 C ATOM 167 C VAL A 24 1.552 20.759 4.968 1.00 0.00 C ATOM 168 O VAL A 24 1.495 20.108 6.011 1.00 0.00 O ATOM 169 CB VAL A 24 -0.786 20.857 4.089 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.815 22.310 4.538 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.659 20.655 2.860 1.00 0.00 C ATOM 0 H VAL A 24 -0.170 18.492 3.688 1.00 0.00 H new ATOM 0 HA VAL A 24 1.024 20.945 2.905 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.179 20.245 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.843 22.605 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.212 22.425 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.411 22.943 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.679 20.969 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.268 21.249 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.657 19.601 2.581 1.00 0.00 H new ATOM 181 N THR A 25 2.377 21.787 4.801 1.00 0.00 N ATOM 182 CA THR A 25 3.238 22.261 5.878 1.00 0.00 C ATOM 183 C THR A 25 2.419 22.718 7.078 1.00 0.00 C ATOM 184 O THR A 25 1.440 23.449 6.931 1.00 0.00 O ATOM 185 CB THR A 25 4.142 23.413 5.399 1.00 0.00 C ATOM 186 OG1 THR A 25 4.941 22.969 4.295 1.00 0.00 O ATOM 187 CG2 THR A 25 5.052 23.880 6.525 1.00 0.00 C ATOM 0 H THR A 25 2.468 22.308 3.929 1.00 0.00 H new ATOM 0 HA THR A 25 3.866 21.423 6.181 1.00 0.00 H new ATOM 0 HB THR A 25 3.511 24.245 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.514 23.703 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.683 24.694 6.169 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.446 24.230 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.679 23.051 6.853 1.00 0.00 H new ATOM 195 N CYS A 26 2.826 22.283 8.266 1.00 0.00 N ATOM 196 CA CYS A 26 2.037 22.502 9.473 1.00 0.00 C ATOM 197 C CYS A 26 2.923 22.913 10.642 1.00 0.00 C ATOM 198 O CYS A 26 3.975 22.318 10.875 1.00 0.00 O ATOM 199 CB CYS A 26 1.263 21.238 9.846 1.00 0.00 C ATOM 200 SG CYS A 26 0.152 21.443 11.259 1.00 0.00 S ATOM 0 H CYS A 26 3.698 21.776 8.419 1.00 0.00 H new ATOM 0 HA CYS A 26 1.334 23.309 9.263 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.681 20.914 8.984 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.974 20.442 10.069 1.00 0.00 H new ATOM 263 N GLY A 31 7.343 18.969 15.331 1.00 0.00 N ATOM 264 CA GLY A 31 6.917 18.039 14.292 1.00 0.00 C ATOM 265 C GLY A 31 7.765 18.191 13.036 1.00 0.00 C ATOM 266 O GLY A 31 8.243 19.282 12.726 1.00 0.00 O ATOM 0 HA2 GLY A 31 6.991 17.017 14.663 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.869 18.215 14.050 1.00 0.00 H new ATOM 270 N THR A 32 7.948 17.090 12.315 1.00 0.00 N ATOM 271 CA THR A 32 8.730 17.100 11.084 1.00 0.00 C ATOM 272 C THR A 32 8.599 15.780 10.337 1.00 0.00 C ATOM 273 O THR A 32 8.424 14.725 10.947 1.00 0.00 O ATOM 274 CB THR A 32 10.215 17.386 11.374 1.00 0.00 C ATOM 275 OG1 THR A 32 10.932 17.502 10.138 1.00 0.00 O ATOM 276 CG2 THR A 32 10.822 16.266 12.204 1.00 0.00 C ATOM 0 H THR A 32 7.565 16.178 12.562 1.00 0.00 H new ATOM 0 HA THR A 32 8.333 17.898 10.456 1.00 0.00 H new ATOM 0 HB THR A 32 10.287 18.319 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.866 17.239 10.276 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.872 16.485 12.399 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.287 16.183 13.150 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.743 15.325 11.659 1.00 0.00 H new ATOM 284 N HIS A 33 8.686 15.844 9.013 1.00 0.00 N ATOM 285 CA HIS A 33 8.554 14.656 8.178 1.00 0.00 C ATOM 286 C HIS A 33 9.232 14.853 6.828 1.00 0.00 C ATOM 287 O HIS A 33 9.531 15.979 6.432 1.00 0.00 O ATOM 288 CB HIS A 33 7.078 14.303 7.968 1.00 0.00 C ATOM 289 CG HIS A 33 6.307 15.355 7.231 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.667 16.394 7.873 1.00 0.00 N ATOM 291 CD2 HIS A 33 6.073 15.527 5.909 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.073 17.162 6.975 1.00 0.00 C ATOM 293 NE2 HIS A 33 5.304 16.657 5.777 1.00 0.00 N ATOM 0 H HIS A 33 8.848 16.707 8.494 1.00 0.00 H new ATOM 0 HA HIS A 33 9.047 13.834 8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.013 13.364 7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.612 14.136 8.939 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.654 16.546 8.881 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.425 14.894 5.108 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.497 18.051 7.186 1.00 0.00 H new ATOM 301 N ALA A 34 9.471 13.751 6.125 1.00 0.00 N ATOM 302 CA ALA A 34 9.956 13.809 4.751 1.00 0.00 C ATOM 303 C ALA A 34 8.803 13.740 3.758 1.00 0.00 C ATOM 304 O ALA A 34 7.748 13.180 4.054 1.00 0.00 O ATOM 305 CB ALA A 34 10.947 12.684 4.491 1.00 0.00 C ATOM 0 H ALA A 34 9.337 12.806 6.485 1.00 0.00 H new ATOM 0 HA ALA A 34 10.464 14.764 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.300 12.741 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.794 12.781 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.458 11.724 4.655 1.00 0.00 H new ATOM 311 N SER A 35 9.012 14.312 2.577 1.00 0.00 N ATOM 312 CA SER A 35 7.978 14.348 1.550 1.00 0.00 C ATOM 313 C SER A 35 8.587 14.320 0.154 1.00 0.00 C ATOM 314 O SER A 35 9.680 14.841 -0.068 1.00 0.00 O ATOM 315 CB SER A 35 7.123 15.590 1.713 1.00 0.00 C ATOM 316 OG SER A 35 6.147 15.663 0.710 1.00 0.00 O ATOM 0 H SER A 35 9.889 14.757 2.307 1.00 0.00 H new ATOM 0 HA SER A 35 7.355 13.462 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.644 15.580 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.754 16.478 1.676 1.00 0.00 H new ATOM 0 HG SER A 35 5.842 14.759 0.484 1.00 0.00 H new ATOM 322 N TYR A 36 7.873 13.708 -0.785 1.00 0.00 N ATOM 323 CA TYR A 36 8.327 13.639 -2.169 1.00 0.00 C ATOM 324 C TYR A 36 7.786 14.806 -2.985 1.00 0.00 C ATOM 325 O TYR A 36 6.591 14.873 -3.274 1.00 0.00 O ATOM 326 CB TYR A 36 7.911 12.310 -2.803 1.00 0.00 C ATOM 327 CG TYR A 36 8.360 12.151 -4.239 1.00 0.00 C ATOM 328 CD1 TYR A 36 9.685 11.855 -4.522 1.00 0.00 C ATOM 329 CD2 TYR A 36 7.447 12.302 -5.272 1.00 0.00 C ATOM 330 CE1 TYR A 36 10.095 11.710 -5.834 1.00 0.00 C ATOM 331 CE2 TYR A 36 7.857 12.157 -6.583 1.00 0.00 C ATOM 332 CZ TYR A 36 9.175 11.862 -6.865 1.00 0.00 C ATOM 333 OH TYR A 36 9.583 11.718 -8.171 1.00 0.00 O ATOM 0 H TYR A 36 6.977 13.252 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 36 9.415 13.703 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.321 11.492 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.825 12.222 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.396 11.738 -3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.415 12.533 -5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 36 11.126 11.479 -6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.146 12.275 -7.387 1.00 0.00 H new ATOM 0 HH TYR A 36 8.819 11.854 -8.769 1.00 0.00 H new ATOM 343 N ASN A 37 8.672 15.724 -3.356 1.00 0.00 N ATOM 344 CA ASN A 37 8.281 16.901 -4.122 1.00 0.00 C ATOM 345 C ASN A 37 8.203 16.588 -5.611 1.00 0.00 C ATOM 346 O ASN A 37 9.227 16.473 -6.285 1.00 0.00 O ATOM 347 CB ASN A 37 9.242 18.048 -3.866 1.00 0.00 C ATOM 348 CG ASN A 37 8.798 19.329 -4.516 1.00 0.00 C ATOM 349 OD1 ASN A 37 8.219 19.318 -5.608 1.00 0.00 O ATOM 350 ND2 ASN A 37 9.057 20.434 -3.865 1.00 0.00 N ATOM 0 H ASN A 37 9.667 15.675 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 37 7.287 17.202 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.338 18.204 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.230 17.779 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.779 21.334 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.537 20.396 -2.966 1.00 0.00 H new ATOM 357 N ARG A 38 6.983 16.452 -6.118 1.00 0.00 N ATOM 358 CA ARG A 38 6.766 15.919 -7.458 1.00 0.00 C ATOM 359 C ARG A 38 7.197 16.917 -8.525 1.00 0.00 C ATOM 360 O ARG A 38 7.404 16.552 -9.682 1.00 0.00 O ATOM 361 CB ARG A 38 5.300 15.564 -7.662 1.00 0.00 C ATOM 362 CG ARG A 38 4.789 14.430 -6.788 1.00 0.00 C ATOM 363 CD ARG A 38 3.315 14.278 -6.891 1.00 0.00 C ATOM 364 NE ARG A 38 2.614 15.467 -6.433 1.00 0.00 N ATOM 365 CZ ARG A 38 1.294 15.685 -6.592 1.00 0.00 C ATOM 366 NH1 ARG A 38 0.547 14.788 -7.197 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 0.749 16.801 -6.139 1.00 0.00 N ATOM 0 H ARG A 38 6.128 16.704 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 38 7.373 15.019 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.696 16.451 -7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.148 15.295 -8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.272 13.498 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.064 14.618 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.043 14.072 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.996 13.419 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 38 3.160 16.186 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.967 13.926 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.452 14.954 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.328 17.497 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.250 16.966 -6.259 1.00 0.00 H new ATOM 381 N LYS A 39 7.329 18.178 -8.128 1.00 0.00 N ATOM 382 CA LYS A 39 7.724 19.234 -9.053 1.00 0.00 C ATOM 383 C LYS A 39 9.216 19.173 -9.354 1.00 0.00 C ATOM 384 O LYS A 39 9.680 19.719 -10.355 1.00 0.00 O ATOM 385 CB LYS A 39 7.358 20.607 -8.486 1.00 0.00 C ATOM 386 CG LYS A 39 5.861 20.872 -8.398 1.00 0.00 C ATOM 387 CD LYS A 39 5.577 22.250 -7.819 1.00 0.00 C ATOM 388 CE LYS A 39 4.082 22.519 -7.736 1.00 0.00 C ATOM 389 NZ LYS A 39 3.788 23.850 -7.138 1.00 0.00 N1+ ATOM 0 H LYS A 39 7.168 18.494 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 39 7.182 19.080 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.791 20.703 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.815 21.377 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.417 20.793 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.390 20.110 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.018 22.327 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.052 23.011 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.648 22.466 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.606 21.740 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.759 23.994 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.179 23.892 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.220 24.595 -7.720 1.00 0.00 H new ATOM 403 N THR A 40 9.964 18.505 -8.482 1.00 0.00 N ATOM 404 CA THR A 40 11.406 18.376 -8.651 1.00 0.00 C ATOM 405 C THR A 40 11.810 16.920 -8.845 1.00 0.00 C ATOM 406 O THR A 40 12.854 16.628 -9.428 1.00 0.00 O ATOM 407 CB THR A 40 12.160 18.965 -7.444 1.00 0.00 C ATOM 408 OG1 THR A 40 11.804 18.245 -6.257 1.00 0.00 O ATOM 409 CG2 THR A 40 11.815 20.435 -7.265 1.00 0.00 C ATOM 0 H THR A 40 9.594 18.044 -7.650 1.00 0.00 H new ATOM 0 HA THR A 40 11.678 18.937 -9.545 1.00 0.00 H new ATOM 0 HB THR A 40 13.231 18.874 -7.624 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.026 17.678 -6.439 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.357 20.834 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.097 20.987 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.743 20.539 -7.097 1.00 0.00 H new ATOM 417 N GLY A 41 10.976 16.009 -8.354 1.00 0.00 N ATOM 418 CA GLY A 41 11.282 14.585 -8.404 1.00 0.00 C ATOM 419 C GLY A 41 12.226 14.185 -7.277 1.00 0.00 C ATOM 420 O GLY A 41 12.951 13.195 -7.384 1.00 0.00 O ATOM 0 H GLY A 41 10.082 16.233 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.359 14.009 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.735 14.341 -9.365 1.00 0.00 H new ATOM 424 N GLN A 42 12.214 14.960 -6.198 1.00 0.00 N ATOM 425 CA GLN A 42 13.163 14.770 -5.108 1.00 0.00 C ATOM 426 C GLN A 42 12.446 14.651 -3.769 1.00 0.00 C ATOM 427 O GLN A 42 11.257 14.950 -3.662 1.00 0.00 O ATOM 428 CB GLN A 42 14.166 15.925 -5.063 1.00 0.00 C ATOM 429 CG GLN A 42 15.019 16.058 -6.313 1.00 0.00 C ATOM 430 CD GLN A 42 15.977 17.232 -6.238 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.890 18.065 -5.332 1.00 0.00 O ATOM 432 NE2 GLN A 42 16.898 17.305 -7.192 1.00 0.00 N ATOM 0 H GLN A 42 11.557 15.727 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 42 13.700 13.840 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.623 16.857 -4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.821 15.789 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 42 15.586 15.139 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 42 14.371 16.177 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.933 16.594 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.570 18.072 -7.194 1.00 0.00 H new ATOM 441 N CYS A 43 13.177 14.213 -2.749 1.00 0.00 N ATOM 442 CA CYS A 43 12.638 14.141 -1.396 1.00 0.00 C ATOM 443 C CYS A 43 13.241 15.221 -0.505 1.00 0.00 C ATOM 444 O CYS A 43 14.407 15.585 -0.657 1.00 0.00 O ATOM 445 CB CYS A 43 12.912 12.769 -0.780 1.00 0.00 C ATOM 446 SG CYS A 43 12.125 11.396 -1.657 1.00 0.00 S ATOM 0 H CYS A 43 14.145 13.902 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 43 11.562 14.300 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.989 12.602 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.567 12.771 0.254 1.00 0.00 H new ATOM 451 N GLU A 44 12.439 15.729 0.424 1.00 0.00 N ATOM 452 CA GLU A 44 12.877 16.800 1.311 1.00 0.00 C ATOM 453 C GLU A 44 12.140 16.747 2.644 1.00 0.00 C ATOM 454 O GLU A 44 11.058 16.168 2.743 1.00 0.00 O ATOM 455 CB GLU A 44 12.659 18.163 0.651 1.00 0.00 C ATOM 456 CG GLU A 44 11.208 18.471 0.310 1.00 0.00 C ATOM 457 CD GLU A 44 11.047 19.756 -0.455 1.00 0.00 C ATOM 458 OE1 GLU A 44 11.972 20.532 -0.476 1.00 0.00 O ATOM 459 OE2 GLU A 44 9.997 19.961 -1.018 1.00 0.00 O1- ATOM 0 H GLU A 44 11.481 15.416 0.582 1.00 0.00 H new ATOM 0 HA GLU A 44 13.941 16.660 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.036 18.940 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.252 18.210 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.796 17.650 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.628 18.527 1.231 1.00 0.00 H new ATOM 466 N GLU A 45 12.733 17.354 3.666 1.00 0.00 N ATOM 467 CA GLU A 45 12.142 17.364 4.999 1.00 0.00 C ATOM 468 C GLU A 45 11.463 18.696 5.291 1.00 0.00 C ATOM 469 O GLU A 45 11.989 19.758 4.956 1.00 0.00 O ATOM 470 CB GLU A 45 13.209 17.081 6.059 1.00 0.00 C ATOM 471 CG GLU A 45 12.679 17.015 7.484 1.00 0.00 C ATOM 472 CD GLU A 45 13.749 16.703 8.492 1.00 0.00 C ATOM 473 OE1 GLU A 45 14.869 16.491 8.095 1.00 0.00 O ATOM 474 OE2 GLU A 45 13.445 16.675 9.662 1.00 0.00 O1- ATOM 0 H GLU A 45 13.624 17.846 3.597 1.00 0.00 H new ATOM 0 HA GLU A 45 11.387 16.579 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.697 16.136 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.973 17.857 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.214 17.968 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.900 16.255 7.542 1.00 0.00 H new ATOM 481 N GLN A 46 10.293 18.633 5.917 1.00 0.00 N ATOM 482 CA GLN A 46 9.516 19.832 6.210 1.00 0.00 C ATOM 483 C GLN A 46 8.775 19.698 7.535 1.00 0.00 C ATOM 484 O GLN A 46 8.533 18.589 8.012 1.00 0.00 O ATOM 485 CB GLN A 46 8.522 20.116 5.082 1.00 0.00 C ATOM 486 CG GLN A 46 7.472 19.035 4.890 1.00 0.00 C ATOM 487 CD GLN A 46 6.495 19.367 3.778 1.00 0.00 C ATOM 488 OE1 GLN A 46 6.690 20.329 3.029 1.00 0.00 O ATOM 489 NE2 GLN A 46 5.438 18.572 3.664 1.00 0.00 N ATOM 0 H GLN A 46 9.862 17.764 6.232 1.00 0.00 H new ATOM 0 HA GLN A 46 10.212 20.667 6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.020 21.062 5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.073 20.241 4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.965 18.089 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.924 18.896 5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.318 17.788 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.746 18.745 2.935 1.00 0.00 H new ATOM 498 N LYS A 47 8.417 20.833 8.124 1.00 0.00 N ATOM 499 CA LYS A 47 7.725 20.845 9.407 1.00 0.00 C ATOM 500 C LYS A 47 6.242 20.539 9.236 1.00 0.00 C ATOM 501 O LYS A 47 5.587 21.077 8.343 1.00 0.00 O ATOM 502 CB LYS A 47 7.906 22.195 10.102 1.00 0.00 C ATOM 503 CG LYS A 47 7.322 22.264 11.506 1.00 0.00 C ATOM 504 CD LYS A 47 7.528 23.639 12.124 1.00 0.00 C ATOM 505 CE LYS A 47 7.006 23.689 13.552 1.00 0.00 C ATOM 506 NZ LYS A 47 7.139 25.047 14.146 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.595 21.758 7.733 1.00 0.00 H new ATOM 0 HA LYS A 47 8.165 20.066 10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.971 22.424 10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.443 22.969 9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.257 22.035 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.790 21.507 12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.589 23.889 12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.018 24.391 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.958 23.388 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.552 22.971 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.772 25.038 15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.141 25.325 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.597 25.729 13.578 1.00 0.00 H new ATOM 520 N GLY A 48 5.719 19.673 10.096 1.00 0.00 N ATOM 521 CA GLY A 48 4.287 19.399 10.132 1.00 0.00 C ATOM 522 C GLY A 48 4.013 17.950 10.515 1.00 0.00 C ATOM 523 O GLY A 48 4.864 17.079 10.335 1.00 0.00 O ATOM 0 H GLY A 48 6.266 19.148 10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.805 20.065 10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.849 19.609 9.156 1.00 0.00 H new ATOM 527 N THR A 49 2.820 17.698 11.043 1.00 0.00 N ATOM 528 CA THR A 49 2.404 16.343 11.384 1.00 0.00 C ATOM 529 C THR A 49 0.986 16.065 10.902 1.00 0.00 C ATOM 530 O THR A 49 0.045 16.031 11.696 1.00 0.00 O ATOM 531 CB THR A 49 2.490 16.102 12.903 1.00 0.00 C ATOM 532 OG1 THR A 49 1.720 17.095 13.592 1.00 0.00 O ATOM 533 CG2 THR A 49 3.936 16.171 13.372 1.00 0.00 C ATOM 0 H THR A 49 2.124 18.416 11.244 1.00 0.00 H new ATOM 0 HA THR A 49 3.087 15.659 10.879 1.00 0.00 H new ATOM 0 HB THR A 49 2.094 15.110 13.122 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.813 17.121 13.221 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.978 15.999 14.447 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.522 15.408 12.859 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.345 17.156 13.146 1.00 0.00 H new ATOM 541 N GLU A 50 0.838 15.868 9.597 1.00 0.00 N ATOM 542 CA GLU A 50 -0.416 15.382 9.032 1.00 0.00 C ATOM 543 C GLU A 50 -1.552 16.364 9.285 1.00 0.00 C ATOM 544 O GLU A 50 -2.588 16.000 9.841 1.00 0.00 O ATOM 545 CB GLU A 50 -0.770 14.014 9.621 1.00 0.00 C ATOM 546 CG GLU A 50 0.237 12.916 9.311 1.00 0.00 C ATOM 547 CD GLU A 50 -0.191 11.568 9.822 1.00 0.00 C ATOM 548 OE1 GLU A 50 -1.005 11.523 10.713 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.297 10.583 9.320 1.00 0.00 O1- ATOM 0 H GLU A 50 1.572 16.038 8.909 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.281 15.285 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.862 14.111 10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.747 13.711 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.385 12.860 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.199 13.177 9.752 1.00 0.00 H new ATOM 556 N CYS A 51 -1.351 17.612 8.875 1.00 0.00 N ATOM 557 CA CYS A 51 -2.393 18.627 8.971 1.00 0.00 C ATOM 558 C CYS A 51 -3.002 18.921 7.606 1.00 0.00 C ATOM 559 O CYS A 51 -2.875 20.028 7.084 1.00 0.00 O ATOM 560 CB CYS A 51 -1.831 19.921 9.561 1.00 0.00 C ATOM 561 SG CYS A 51 -1.008 19.707 11.158 1.00 0.00 S ATOM 0 H CYS A 51 -0.475 17.945 8.473 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.171 18.236 9.627 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.123 20.353 8.854 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.644 20.638 9.676 1.00 0.00 H new ATOM 566 N GLY A 52 -3.665 17.922 7.032 1.00 0.00 N ATOM 567 CA GLY A 52 -4.341 18.087 5.751 1.00 0.00 C ATOM 568 C GLY A 52 -3.405 17.775 4.590 1.00 0.00 C ATOM 569 O GLY A 52 -2.202 17.595 4.781 1.00 0.00 O ATOM 0 H GLY A 52 -3.748 16.989 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.210 17.430 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.709 19.109 5.660 1.00 0.00 H new ATOM 573 N GLY A 53 -3.964 17.712 3.387 1.00 0.00 N ATOM 574 CA GLY A 53 -3.193 17.356 2.201 1.00 0.00 C ATOM 575 C GLY A 53 -3.401 15.895 1.826 1.00 0.00 C ATOM 576 O GLY A 53 -4.420 15.295 2.171 1.00 0.00 O ATOM 0 H GLY A 53 -4.950 17.903 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.488 17.993 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.134 17.540 2.384 1.00 0.00 H new ATOM 580 N GLY A 54 -2.431 15.326 1.119 1.00 0.00 N ATOM 581 CA GLY A 54 -2.484 13.920 0.737 1.00 0.00 C ATOM 582 C GLY A 54 -1.754 13.047 1.749 1.00 0.00 C ATOM 583 O GLY A 54 -1.557 13.443 2.898 1.00 0.00 O ATOM 0 H GLY A 54 -1.597 15.818 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.523 13.600 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.036 13.791 -0.248 1.00 0.00 H new ATOM 587 N GLU A 55 -1.355 11.856 1.317 1.00 0.00 N ATOM 588 CA GLU A 55 -0.590 10.949 2.165 1.00 0.00 C ATOM 589 C GLU A 55 0.899 11.032 1.858 1.00 0.00 C ATOM 590 O GLU A 55 1.668 10.140 2.216 1.00 0.00 O ATOM 591 CB GLU A 55 -1.078 9.510 1.984 1.00 0.00 C ATOM 592 CG GLU A 55 -2.527 9.282 2.390 1.00 0.00 C ATOM 593 CD GLU A 55 -2.769 9.521 3.854 1.00 0.00 C ATOM 594 OE1 GLU A 55 -1.930 9.157 4.643 1.00 0.00 O ATOM 595 OE2 GLU A 55 -3.794 10.069 4.185 1.00 0.00 O1- ATOM 0 H GLU A 55 -1.549 11.495 0.383 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.745 11.252 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.958 9.227 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.441 8.847 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.170 9.942 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.812 8.260 2.142 1.00 0.00 H new ATOM 602 N ASN A 56 1.302 12.110 1.192 1.00 0.00 N ATOM 603 CA ASN A 56 2.690 12.282 0.779 1.00 0.00 C ATOM 604 C ASN A 56 3.557 12.744 1.943 1.00 0.00 C ATOM 605 O ASN A 56 3.920 13.917 2.031 1.00 0.00 O ATOM 606 CB ASN A 56 2.785 13.257 -0.379 1.00 0.00 C ATOM 607 CG ASN A 56 4.181 13.369 -0.927 1.00 0.00 C ATOM 608 OD1 ASN A 56 5.163 13.247 -0.186 1.00 0.00 O ATOM 609 ND2 ASN A 56 4.288 13.600 -2.210 1.00 0.00 N ATOM 0 H ASN A 56 0.686 12.878 0.927 1.00 0.00 H new ATOM 0 HA ASN A 56 3.064 11.314 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.111 12.938 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.448 14.240 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.210 13.687 -2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.449 13.693 -2.783 1.00 0.00 H new ATOM 616 N HIS A 57 3.887 11.816 2.834 1.00 0.00 N ATOM 617 CA HIS A 57 4.826 12.091 3.915 1.00 0.00 C ATOM 618 C HIS A 57 5.457 10.807 4.437 1.00 0.00 C ATOM 619 O HIS A 57 4.834 9.745 4.418 1.00 0.00 O ATOM 620 CB HIS A 57 4.127 12.826 5.064 1.00 0.00 C ATOM 621 CG HIS A 57 2.978 12.069 5.653 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.757 11.961 5.020 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.863 11.383 6.814 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.940 11.240 5.769 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.586 10.878 6.862 1.00 0.00 N ATOM 0 H HIS A 57 3.518 10.865 2.829 1.00 0.00 H new ATOM 0 HA HIS A 57 5.615 12.726 3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.855 13.031 5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.768 13.790 4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.631 11.256 7.563 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.082 10.990 5.528 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.200 10.315 7.619 1.00 0.00 H new ATOM 633 N PHE A 58 6.698 10.910 4.901 1.00 0.00 N ATOM 634 CA PHE A 58 7.489 9.733 5.240 1.00 0.00 C ATOM 635 C PHE A 58 8.228 9.928 6.558 1.00 0.00 C ATOM 636 O PHE A 58 8.451 11.057 6.996 1.00 0.00 O ATOM 637 CB PHE A 58 8.493 9.426 4.128 1.00 0.00 C ATOM 638 CG PHE A 58 7.867 9.286 2.769 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.779 10.375 1.915 1.00 0.00 C ATOM 640 CD2 PHE A 58 7.365 8.066 2.343 1.00 0.00 C ATOM 641 CE1 PHE A 58 7.204 10.247 0.665 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.791 7.935 1.093 1.00 0.00 C ATOM 643 CZ PHE A 58 6.710 9.028 0.254 1.00 0.00 C ATOM 0 H PHE A 58 7.178 11.797 5.051 1.00 0.00 H new ATOM 0 HA PHE A 58 6.803 8.892 5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.238 10.221 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.021 8.504 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.164 11.334 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.423 7.208 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.142 11.103 0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.406 6.978 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.260 8.928 -0.723 1.00 0.00 H new ATOM 653 N GLU A 59 8.607 8.820 7.187 1.00 0.00 N ATOM 654 CA GLU A 59 9.410 8.866 8.403 1.00 0.00 C ATOM 655 C GLU A 59 10.699 9.647 8.183 1.00 0.00 C ATOM 656 O GLU A 59 11.055 10.514 8.982 1.00 0.00 O ATOM 657 CB GLU A 59 9.736 7.450 8.881 1.00 0.00 C ATOM 658 CG GLU A 59 10.562 7.391 10.158 1.00 0.00 C ATOM 659 CD GLU A 59 10.850 5.985 10.605 1.00 0.00 C ATOM 660 OE1 GLU A 59 10.415 5.072 9.946 1.00 0.00 O ATOM 661 OE2 GLU A 59 11.507 5.824 11.606 1.00 0.00 O1- ATOM 0 H GLU A 59 8.370 7.878 6.874 1.00 0.00 H new ATOM 0 HA GLU A 59 8.826 9.377 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.803 6.910 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.275 6.928 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.504 7.917 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.032 7.918 10.952 1.00 0.00 H new ATOM 668 N THR A 60 11.395 9.336 7.095 1.00 0.00 N ATOM 669 CA THR A 60 12.625 10.037 6.745 1.00 0.00 C ATOM 670 C THR A 60 12.885 9.977 5.246 1.00 0.00 C ATOM 671 O THR A 60 12.049 9.499 4.479 1.00 0.00 O ATOM 672 CB THR A 60 13.831 9.453 7.504 1.00 0.00 C ATOM 673 OG1 THR A 60 14.981 10.280 7.287 1.00 0.00 O ATOM 674 CG2 THR A 60 14.129 8.040 7.024 1.00 0.00 C ATOM 0 H THR A 60 11.128 8.602 6.439 1.00 0.00 H new ATOM 0 HA THR A 60 12.497 11.079 7.037 1.00 0.00 H new ATOM 0 HB THR A 60 13.593 9.422 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 60 15.747 9.908 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.984 7.643 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.260 7.406 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.357 8.058 5.958 1.00 0.00 H new ATOM 682 N LEU A 61 14.050 10.465 4.833 1.00 0.00 N ATOM 683 CA LEU A 61 14.368 10.592 3.416 1.00 0.00 C ATOM 684 C LEU A 61 14.639 9.231 2.788 1.00 0.00 C ATOM 685 O LEU A 61 14.351 9.011 1.611 1.00 0.00 O ATOM 686 CB LEU A 61 15.589 11.502 3.226 1.00 0.00 C ATOM 687 CG LEU A 61 15.381 12.978 3.585 1.00 0.00 C ATOM 688 CD1 LEU A 61 16.706 13.720 3.474 1.00 0.00 C ATOM 689 CD2 LEU A 61 14.336 13.583 2.660 1.00 0.00 C ATOM 0 H LEU A 61 14.790 10.779 5.461 1.00 0.00 H new ATOM 0 HA LEU A 61 13.505 11.035 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.407 11.112 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.906 11.442 2.185 1.00 0.00 H new ATOM 0 HG LEU A 61 15.024 13.065 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.558 14.769 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.429 13.278 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.081 13.644 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.188 14.632 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.676 13.505 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.394 13.046 2.774 1.00 0.00 H new ATOM 701 N LEU A 62 15.194 8.320 3.579 1.00 0.00 N ATOM 702 CA LEU A 62 15.427 6.953 3.128 1.00 0.00 C ATOM 703 C LEU A 62 14.115 6.249 2.806 1.00 0.00 C ATOM 704 O LEU A 62 14.034 5.473 1.854 1.00 0.00 O ATOM 705 CB LEU A 62 16.188 6.164 4.201 1.00 0.00 C ATOM 706 CG LEU A 62 17.639 6.599 4.443 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.201 5.850 5.643 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.465 6.329 3.194 1.00 0.00 C ATOM 0 H LEU A 62 15.491 8.504 4.537 1.00 0.00 H new ATOM 0 HA LEU A 62 16.026 6.998 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.642 6.245 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.186 5.111 3.921 1.00 0.00 H new ATOM 0 HG LEU A 62 17.677 7.667 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.232 6.159 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.603 6.076 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.171 4.778 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.496 6.638 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.439 5.264 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.052 6.891 2.356 1.00 0.00 H new ATOM 720 N LYS A 63 13.090 6.524 3.605 1.00 0.00 N ATOM 721 CA LYS A 63 11.783 5.905 3.415 1.00 0.00 C ATOM 722 C LYS A 63 11.037 6.540 2.249 1.00 0.00 C ATOM 723 O LYS A 63 10.245 5.883 1.574 1.00 0.00 O ATOM 724 CB LYS A 63 10.950 6.011 4.693 1.00 0.00 C ATOM 725 CG LYS A 63 11.502 5.220 5.872 1.00 0.00 C ATOM 726 CD LYS A 63 11.623 3.741 5.536 1.00 0.00 C ATOM 727 CE LYS A 63 12.202 2.953 6.702 1.00 0.00 C ATOM 728 NZ LYS A 63 12.422 1.523 6.354 1.00 0.00 N1+ ATOM 0 H LYS A 63 13.139 7.172 4.391 1.00 0.00 H new ATOM 0 HA LYS A 63 11.943 4.852 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.876 7.060 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.938 5.666 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.480 5.613 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.849 5.347 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.642 3.343 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.258 3.616 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.147 3.401 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.527 3.019 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.817 1.023 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.516 1.088 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.087 1.458 5.557 1.00 0.00 H new ATOM 742 N CYS A 64 11.295 7.823 2.017 1.00 0.00 N ATOM 743 CA CYS A 64 10.809 8.497 0.819 1.00 0.00 C ATOM 744 C CYS A 64 11.402 7.879 -0.440 1.00 0.00 C ATOM 745 O CYS A 64 10.682 7.574 -1.392 1.00 0.00 O ATOM 746 CB CYS A 64 11.156 9.986 0.862 1.00 0.00 C ATOM 747 SG CYS A 64 10.496 10.938 -0.528 1.00 0.00 S ATOM 0 H CYS A 64 11.838 8.417 2.643 1.00 0.00 H new ATOM 0 HA CYS A 64 9.726 8.377 0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.777 10.410 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.240 10.095 0.881 1.00 0.00 H new ATOM 752 N ASN A 65 12.718 7.696 -0.441 1.00 0.00 N ATOM 753 CA ASN A 65 13.411 7.121 -1.587 1.00 0.00 C ATOM 754 C ASN A 65 12.953 5.691 -1.847 1.00 0.00 C ATOM 755 O ASN A 65 12.665 5.319 -2.985 1.00 0.00 O ATOM 756 CB ASN A 65 14.914 7.172 -1.383 1.00 0.00 C ATOM 757 CG ASN A 65 15.466 8.565 -1.501 1.00 0.00 C ATOM 758 OD1 ASN A 65 14.861 9.434 -2.140 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.605 8.795 -0.898 1.00 0.00 N ATOM 0 H ASN A 65 13.327 7.938 0.341 1.00 0.00 H new ATOM 0 HA ASN A 65 13.160 7.718 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.157 6.771 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.399 6.529 -2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.029 9.722 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.069 8.047 -0.382 1.00 0.00 H new ATOM 766 N GLU A 66 12.889 4.894 -0.787 1.00 0.00 N ATOM 767 CA GLU A 66 12.509 3.491 -0.905 1.00 0.00 C ATOM 768 C GLU A 66 11.092 3.349 -1.446 1.00 0.00 C ATOM 769 O GLU A 66 10.838 2.545 -2.343 1.00 0.00 O ATOM 770 CB GLU A 66 12.619 2.792 0.452 1.00 0.00 C ATOM 771 CG GLU A 66 14.047 2.519 0.904 1.00 0.00 C ATOM 772 CD GLU A 66 14.122 1.947 2.292 1.00 0.00 C ATOM 773 OE1 GLU A 66 13.106 1.877 2.941 1.00 0.00 O ATOM 774 OE2 GLU A 66 15.197 1.578 2.704 1.00 0.00 O1- ATOM 0 H GLU A 66 13.096 5.196 0.165 1.00 0.00 H new ATOM 0 HA GLU A 66 13.195 3.018 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.124 3.406 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.078 1.847 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.518 1.827 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.618 3.447 0.867 1.00 0.00 H new ATOM 781 N SER A 67 10.172 4.133 -0.896 1.00 0.00 N ATOM 782 CA SER A 67 8.774 4.079 -1.305 1.00 0.00 C ATOM 783 C SER A 67 8.622 4.394 -2.788 1.00 0.00 C ATOM 784 O SER A 67 7.874 3.725 -3.501 1.00 0.00 O ATOM 785 CB SER A 67 7.951 5.053 -0.485 1.00 0.00 C ATOM 786 OG SER A 67 7.904 4.663 0.860 1.00 0.00 O ATOM 0 H SER A 67 10.370 4.815 -0.164 1.00 0.00 H new ATOM 0 HA SER A 67 8.412 3.066 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.380 6.052 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.939 5.108 -0.887 1.00 0.00 H new ATOM 0 HG SER A 67 8.691 5.010 1.329 1.00 0.00 H new ATOM 792 N CYS A 68 9.335 5.417 -3.247 1.00 0.00 N ATOM 793 CA CYS A 68 9.297 5.809 -4.650 1.00 0.00 C ATOM 794 C CYS A 68 9.930 4.745 -5.537 1.00 0.00 C ATOM 795 O CYS A 68 9.467 4.496 -6.651 1.00 0.00 O ATOM 796 CB CYS A 68 10.026 7.137 -4.857 1.00 0.00 C ATOM 797 SG CYS A 68 9.194 8.561 -4.114 1.00 0.00 S ATOM 0 H CYS A 68 9.947 5.990 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 68 8.250 5.922 -4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.029 7.057 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.140 7.314 -5.927 1.00 0.00 H new ATOM 802 N ASN A 69 10.989 4.119 -5.037 1.00 0.00 N ATOM 803 CA ASN A 69 11.659 3.046 -5.764 1.00 0.00 C ATOM 804 C ASN A 69 10.765 1.818 -5.880 1.00 0.00 C ATOM 805 O ASN A 69 10.885 1.038 -6.825 1.00 0.00 O ATOM 806 CB ASN A 69 12.974 2.689 -5.096 1.00 0.00 C ATOM 807 CG ASN A 69 14.019 3.755 -5.270 1.00 0.00 C ATOM 808 OD1 ASN A 69 13.890 4.634 -6.131 1.00 0.00 O ATOM 809 ND2 ASN A 69 15.053 3.696 -4.470 1.00 0.00 N ATOM 0 H ASN A 69 11.403 4.336 -4.130 1.00 0.00 H new ATOM 0 HA ASN A 69 11.869 3.404 -6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.804 2.523 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.345 1.751 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.794 4.393 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.118 2.953 -3.774 1.00 0.00 H new ATOM 816 N ASP A 70 9.869 1.651 -4.913 1.00 0.00 N ATOM 817 CA ASP A 70 8.987 0.491 -4.878 1.00 0.00 C ATOM 818 C ASP A 70 7.721 0.737 -5.689 1.00 0.00 C ATOM 819 O ASP A 70 6.858 -0.135 -5.791 1.00 0.00 O ATOM 820 CB ASP A 70 8.616 0.142 -3.435 1.00 0.00 C ATOM 821 CG ASP A 70 9.794 -0.399 -2.635 1.00 0.00 C ATOM 822 OD1 ASP A 70 10.711 -0.907 -3.235 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.764 -0.300 -1.432 1.00 0.00 O1- ATOM 0 H ASP A 70 9.735 2.305 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 70 9.525 -0.347 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.225 1.031 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.816 -0.598 -3.440 1.00 0.00 H new ATOM 874 N PRO A 74 7.104 3.082 -14.154 1.00 0.00 N ATOM 875 CA PRO A 74 8.378 2.906 -14.840 1.00 0.00 C ATOM 876 C PRO A 74 9.276 4.123 -14.656 1.00 0.00 C ATOM 877 O PRO A 74 8.822 5.262 -14.759 1.00 0.00 O ATOM 878 CB PRO A 74 7.960 2.728 -16.303 1.00 0.00 C ATOM 879 CG PRO A 74 6.590 2.146 -16.224 1.00 0.00 C ATOM 880 CD PRO A 74 5.953 2.847 -15.053 1.00 0.00 C ATOM 0 HA PRO A 74 8.960 2.067 -14.460 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.958 3.679 -16.835 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.644 2.066 -16.835 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.031 2.320 -17.143 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.625 1.067 -16.071 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.474 3.780 -15.350 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.188 2.232 -14.580 1.00 0.00 H new ATOM 888 N PRO A 75 10.552 3.874 -14.383 1.00 0.00 N ATOM 889 CA PRO A 75 11.524 4.949 -14.219 1.00 0.00 C ATOM 890 C PRO A 75 11.837 5.616 -15.552 1.00 0.00 C ATOM 891 O PRO A 75 12.375 6.722 -15.592 1.00 0.00 O ATOM 892 CB PRO A 75 12.747 4.223 -13.650 1.00 0.00 C ATOM 893 CG PRO A 75 12.633 2.837 -14.186 1.00 0.00 C ATOM 894 CD PRO A 75 11.155 2.550 -14.170 1.00 0.00 C ATOM 0 HA PRO A 75 11.172 5.756 -13.576 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.675 4.698 -13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.743 4.230 -12.560 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.041 2.766 -15.194 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.183 2.126 -13.569 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.873 1.848 -14.955 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.840 2.112 -13.223 1.00 0.00 H new ATOM 902 N CYS A 76 11.496 4.937 -16.642 1.00 0.00 N ATOM 903 CA CYS A 76 11.744 5.461 -17.980 1.00 0.00 C ATOM 904 C CYS A 76 10.612 6.373 -18.434 1.00 0.00 C ATOM 905 O CYS A 76 10.568 6.798 -19.588 1.00 0.00 O ATOM 906 CB CYS A 76 11.906 4.319 -18.984 1.00 0.00 C ATOM 907 SG CYS A 76 13.342 3.264 -18.677 1.00 0.00 S ATOM 0 H CYS A 76 11.047 4.022 -16.625 1.00 0.00 H new ATOM 0 HA CYS A 76 12.666 6.040 -17.938 1.00 0.00 H new ATOM 0 HB2 CYS A 76 11.006 3.704 -18.966 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.985 4.739 -19.987 1.00 0.00 H new ATOM 912 N SER A 77 9.695 6.670 -17.519 1.00 0.00 N ATOM 913 CA SER A 77 8.711 7.724 -17.733 1.00 0.00 C ATOM 914 C SER A 77 9.114 9.007 -17.019 1.00 0.00 C ATOM 915 O SER A 77 8.417 10.019 -17.100 1.00 0.00 O ATOM 916 CB SER A 77 7.347 7.271 -17.249 1.00 0.00 C ATOM 917 OG SER A 77 7.340 7.100 -15.858 1.00 0.00 O ATOM 0 H SER A 77 9.613 6.194 -16.620 1.00 0.00 H new ATOM 0 HA SER A 77 8.665 7.929 -18.803 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.594 8.006 -17.533 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.077 6.334 -17.736 1.00 0.00 H new ATOM 0 HG SER A 77 7.762 6.245 -15.631 1.00 0.00 H new ATOM 923 N LEU A 78 10.242 8.959 -16.318 1.00 0.00 N ATOM 924 CA LEU A 78 10.693 10.089 -15.514 1.00 0.00 C ATOM 925 C LEU A 78 11.844 10.822 -16.190 1.00 0.00 C ATOM 926 O LEU A 78 12.535 10.262 -17.041 1.00 0.00 O ATOM 927 CB LEU A 78 11.129 9.609 -14.124 1.00 0.00 C ATOM 928 CG LEU A 78 10.080 8.816 -13.334 1.00 0.00 C ATOM 929 CD1 LEU A 78 10.696 8.310 -12.037 1.00 0.00 C ATOM 930 CD2 LEU A 78 8.875 9.702 -13.058 1.00 0.00 C ATOM 0 H LEU A 78 10.861 8.149 -16.290 1.00 0.00 H new ATOM 0 HA LEU A 78 9.858 10.782 -15.412 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.018 8.988 -14.237 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.420 10.478 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 78 9.748 7.956 -13.915 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.951 7.747 -11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.544 7.664 -12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.035 9.157 -11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.130 9.138 -12.497 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.187 10.570 -12.477 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.443 10.034 -14.002 1.00 0.00 H new ATOM 942 N GLU A 79 12.046 12.078 -15.805 1.00 0.00 N ATOM 943 CA GLU A 79 13.133 12.881 -16.353 1.00 0.00 C ATOM 944 C GLU A 79 14.410 12.707 -15.540 1.00 0.00 C ATOM 945 O GLU A 79 14.384 12.166 -14.434 1.00 0.00 O ATOM 946 CB GLU A 79 12.738 14.359 -16.390 1.00 0.00 C ATOM 947 CG GLU A 79 11.613 14.684 -17.363 1.00 0.00 C ATOM 948 CD GLU A 79 11.259 16.145 -17.381 1.00 0.00 C ATOM 949 OE1 GLU A 79 11.505 16.808 -16.402 1.00 0.00 O ATOM 950 OE2 GLU A 79 10.743 16.599 -18.375 1.00 0.00 O1- ATOM 0 H GLU A 79 11.471 12.562 -15.115 1.00 0.00 H new ATOM 0 HA GLU A 79 13.323 12.535 -17.369 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.437 14.667 -15.389 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.614 14.950 -16.656 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.906 14.374 -18.366 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.729 14.104 -17.096 1.00 0.00 H new ATOM 957 N VAL A 80 15.525 13.170 -16.093 1.00 0.00 N ATOM 958 CA VAL A 80 16.813 13.076 -15.416 1.00 0.00 C ATOM 959 C VAL A 80 16.821 13.896 -14.132 1.00 0.00 C ATOM 960 O VAL A 80 16.382 15.046 -14.116 1.00 0.00 O ATOM 961 CB VAL A 80 17.941 13.568 -16.342 1.00 0.00 C ATOM 962 CG1 VAL A 80 19.254 13.660 -15.579 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.075 12.634 -17.535 1.00 0.00 C ATOM 0 H VAL A 80 15.563 13.615 -17.010 1.00 0.00 H new ATOM 0 HA VAL A 80 16.978 12.029 -15.163 1.00 0.00 H new ATOM 0 HB VAL A 80 17.691 14.565 -16.706 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.040 14.009 -16.248 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.145 14.360 -14.751 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.519 12.677 -15.190 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.875 12.988 -18.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.310 11.629 -17.185 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.137 12.615 -18.090 1.00 0.00 H new ATOM 973 N ASP A 81 17.322 13.298 -13.057 1.00 0.00 N ATOM 974 CA ASP A 81 17.426 13.986 -11.776 1.00 0.00 C ATOM 975 C ASP A 81 18.628 13.492 -10.981 1.00 0.00 C ATOM 976 O ASP A 81 18.553 12.477 -10.289 1.00 0.00 O ATOM 977 CB ASP A 81 16.149 13.789 -10.955 1.00 0.00 C ATOM 978 CG ASP A 81 16.158 14.571 -9.648 1.00 0.00 C ATOM 979 OD1 ASP A 81 17.158 15.178 -9.349 1.00 0.00 O ATOM 980 OD2 ASP A 81 15.164 14.553 -8.962 1.00 0.00 O1- ATOM 0 H ASP A 81 17.663 12.337 -13.047 1.00 0.00 H new ATOM 0 HA ASP A 81 17.560 15.048 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.289 14.096 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.023 12.728 -10.737 1.00 0.00 H new ATOM 985 N TYR A 82 19.737 14.217 -11.085 1.00 0.00 N ATOM 986 CA TYR A 82 20.972 13.828 -10.414 1.00 0.00 C ATOM 987 C TYR A 82 21.207 14.667 -9.164 1.00 0.00 C ATOM 988 O TYR A 82 22.321 14.725 -8.644 1.00 0.00 O ATOM 989 CB TYR A 82 22.162 13.952 -11.368 1.00 0.00 C ATOM 990 CG TYR A 82 22.236 15.284 -12.081 1.00 0.00 C ATOM 991 CD1 TYR A 82 22.830 16.372 -11.459 1.00 0.00 C ATOM 992 CD2 TYR A 82 21.711 15.417 -13.358 1.00 0.00 C ATOM 993 CE1 TYR A 82 22.898 17.588 -12.110 1.00 0.00 C ATOM 994 CE2 TYR A 82 21.779 16.633 -14.009 1.00 0.00 C ATOM 995 CZ TYR A 82 22.369 17.716 -13.390 1.00 0.00 C ATOM 996 OH TYR A 82 22.437 18.927 -14.039 1.00 0.00 O ATOM 0 H TYR A 82 19.806 15.078 -11.628 1.00 0.00 H new ATOM 0 HA TYR A 82 20.873 12.786 -10.109 1.00 0.00 H new ATOM 0 HB2 TYR A 82 23.084 13.799 -10.806 1.00 0.00 H new ATOM 0 HB3 TYR A 82 22.105 13.156 -12.110 1.00 0.00 H new ATOM 0 HD1 TYR A 82 23.240 16.268 -10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 82 21.249 14.570 -13.843 1.00 0.00 H new ATOM 0 HE1 TYR A 82 23.360 18.436 -11.627 1.00 0.00 H new ATOM 0 HE2 TYR A 82 21.370 16.736 -15.003 1.00 0.00 H new ATOM 0 HH TYR A 82 22.023 18.848 -14.924 1.00 0.00 H new ATOM 1006 N GLY A 83 20.151 15.316 -8.686 1.00 0.00 N ATOM 1007 CA GLY A 83 20.223 16.097 -7.457 1.00 0.00 C ATOM 1008 C GLY A 83 20.833 17.470 -7.712 1.00 0.00 C ATOM 1009 O GLY A 83 21.248 17.778 -8.829 1.00 0.00 O ATOM 0 H GLY A 83 19.234 15.316 -9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.224 16.212 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 83 20.820 15.563 -6.718 1.00 0.00 H new ATOM 1013 N VAL A 84 20.884 18.292 -6.669 1.00 0.00 N ATOM 1014 CA VAL A 84 21.515 19.603 -6.757 1.00 0.00 C ATOM 1015 C VAL A 84 22.499 19.819 -5.615 1.00 0.00 C ATOM 1016 O VAL A 84 22.524 20.883 -4.997 1.00 0.00 O ATOM 1017 CB VAL A 84 20.447 20.713 -6.728 1.00 0.00 C ATOM 1018 CG1 VAL A 84 19.601 20.671 -7.991 1.00 0.00 C ATOM 1019 CG2 VAL A 84 19.577 20.562 -5.490 1.00 0.00 C ATOM 0 H VAL A 84 20.495 18.073 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 84 22.061 19.645 -7.700 1.00 0.00 H new ATOM 0 HB VAL A 84 20.945 21.682 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.852 21.462 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 84 20.240 20.817 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.104 19.704 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.824 21.350 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.084 19.590 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.198 20.638 -4.597 1.00 0.00 H new ATOM 1029 N GLY A 85 23.308 18.802 -5.338 1.00 0.00 N ATOM 1030 CA GLY A 85 24.170 18.807 -4.161 1.00 0.00 C ATOM 1031 C GLY A 85 25.591 19.221 -4.521 1.00 0.00 C ATOM 1032 O GLY A 85 25.798 20.160 -5.290 1.00 0.00 O ATOM 0 H GLY A 85 23.385 17.963 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 85 23.767 19.492 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.181 17.815 -3.710 1.00 0.00 H new ATOM 1036 N ARG A 86 26.567 18.515 -3.961 1.00 0.00 N ATOM 1037 CA ARG A 86 27.965 18.914 -4.077 1.00 0.00 C ATOM 1038 C ARG A 86 28.868 17.705 -4.278 1.00 0.00 C ATOM 1039 O ARG A 86 30.068 17.846 -4.515 1.00 0.00 O ATOM 1040 CB ARG A 86 28.409 19.675 -2.836 1.00 0.00 C ATOM 1041 CG ARG A 86 27.718 21.012 -2.624 1.00 0.00 C ATOM 1042 CD ARG A 86 28.098 21.998 -3.668 1.00 0.00 C ATOM 1043 NE ARG A 86 27.478 23.294 -3.441 1.00 0.00 N ATOM 1044 CZ ARG A 86 26.270 23.658 -3.914 1.00 0.00 C ATOM 1045 NH1 ARG A 86 25.566 22.815 -4.635 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 25.793 24.862 -3.652 1.00 0.00 N ATOM 0 H ARG A 86 26.416 17.663 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 86 28.049 19.563 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 86 28.233 19.049 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 86 29.484 19.844 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 86 26.637 20.869 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 86 27.978 21.404 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 86 29.182 22.112 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 86 27.804 21.621 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 86 27.994 23.975 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 86 25.934 21.885 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 86 24.651 23.090 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 86 26.339 25.516 -3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 86 24.879 25.137 -4.010 1.00 0.00 H new ATOM 1060 N ALA A 87 28.285 16.514 -4.182 1.00 0.00 N ATOM 1061 CA ALA A 87 29.027 15.278 -4.398 1.00 0.00 C ATOM 1062 C ALA A 87 29.331 15.069 -5.875 1.00 0.00 C ATOM 1063 O ALA A 87 28.732 15.709 -6.739 1.00 0.00 O ATOM 1064 CB ALA A 87 28.251 14.091 -3.844 1.00 0.00 C ATOM 0 H ALA A 87 27.300 16.379 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 87 29.976 15.358 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 87 28.818 13.175 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 87 28.092 14.228 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 87 27.287 14.019 -4.348 1.00 0.00 H new ATOM 1070 N ASN A 88 30.266 14.169 -6.160 1.00 0.00 N ATOM 1071 CA ASN A 88 30.657 13.878 -7.534 1.00 0.00 C ATOM 1072 C ASN A 88 30.642 12.380 -7.806 1.00 0.00 C ATOM 1073 O ASN A 88 31.693 11.756 -7.957 1.00 0.00 O ATOM 1074 CB ASN A 88 32.025 14.462 -7.835 1.00 0.00 C ATOM 1075 CG ASN A 88 32.053 15.961 -7.715 1.00 0.00 C ATOM 1076 OD1 ASN A 88 31.526 16.675 -8.576 1.00 0.00 O ATOM 1077 ND2 ASN A 88 32.658 16.451 -6.663 1.00 0.00 N ATOM 0 H ASN A 88 30.768 13.628 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 88 29.928 14.345 -8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 88 32.758 14.033 -7.152 1.00 0.00 H new ATOM 0 HB3 ASN A 88 32.324 14.176 -8.843 1.00 0.00 H new ATOM 0 HD21 ASN A 88 32.709 17.461 -6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 88 33.079 15.823 -5.978 1.00 0.00 H new ATOM 1084 N ILE A 89 29.445 11.806 -7.868 1.00 0.00 N ATOM 1085 CA ILE A 89 29.291 10.382 -8.140 1.00 0.00 C ATOM 1086 C ILE A 89 28.680 10.147 -9.516 1.00 0.00 C ATOM 1087 O ILE A 89 27.571 10.600 -9.799 1.00 0.00 O ATOM 1088 CB ILE A 89 28.415 9.710 -7.067 1.00 0.00 C ATOM 1089 CG1 ILE A 89 29.035 9.894 -5.680 1.00 0.00 C ATOM 1090 CG2 ILE A 89 28.231 8.233 -7.380 1.00 0.00 C ATOM 1091 CD1 ILE A 89 28.126 9.479 -4.545 1.00 0.00 C ATOM 0 H ILE A 89 28.566 12.306 -7.733 1.00 0.00 H new ATOM 0 HA ILE A 89 30.286 9.938 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 89 27.435 10.186 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 89 29.957 9.315 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 89 29.308 10.941 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 89 27.609 7.773 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 89 27.748 8.124 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 89 29.204 7.742 -7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 89 28.635 9.639 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.214 10.075 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 89 27.873 8.424 -4.649 1.00 0.00 H new ATOM 1103 N PRO A 90 29.411 9.436 -10.368 1.00 0.00 N ATOM 1104 CA PRO A 90 28.945 9.146 -11.719 1.00 0.00 C ATOM 1105 C PRO A 90 27.813 8.127 -11.704 1.00 0.00 C ATOM 1106 O PRO A 90 28.012 6.969 -11.338 1.00 0.00 O ATOM 1107 CB PRO A 90 30.198 8.589 -12.403 1.00 0.00 C ATOM 1108 CG PRO A 90 30.986 7.987 -11.289 1.00 0.00 C ATOM 1109 CD PRO A 90 30.768 8.922 -10.129 1.00 0.00 C ATOM 0 HA PRO A 90 28.534 10.016 -12.230 1.00 0.00 H new ATOM 0 HB2 PRO A 90 29.942 7.845 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.759 9.375 -12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 90 30.641 6.979 -11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.043 7.911 -11.545 1.00 0.00 H new ATOM 0 HD2 PRO A 90 30.840 8.403 -9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 90 31.506 9.724 -10.113 1.00 0.00 H new ATOM 1117 N ARG A 91 26.624 8.565 -12.104 1.00 0.00 N ATOM 1118 CA ARG A 91 25.460 7.688 -12.149 1.00 0.00 C ATOM 1119 C ARG A 91 24.653 7.910 -13.422 1.00 0.00 C ATOM 1120 O ARG A 91 24.691 8.989 -14.013 1.00 0.00 O ATOM 1121 CB ARG A 91 24.568 7.921 -10.939 1.00 0.00 C ATOM 1122 CG ARG A 91 25.238 7.684 -9.595 1.00 0.00 C ATOM 1123 CD ARG A 91 24.277 7.818 -8.471 1.00 0.00 C ATOM 1124 NE ARG A 91 23.338 6.709 -8.425 1.00 0.00 N ATOM 1125 CZ ARG A 91 23.585 5.521 -7.839 1.00 0.00 C ATOM 1126 NH1 ARG A 91 24.743 5.304 -7.255 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 22.664 4.574 -7.851 1.00 0.00 N ATOM 0 H ARG A 91 26.441 9.523 -12.402 1.00 0.00 H new ATOM 0 HA ARG A 91 25.823 6.660 -12.138 1.00 0.00 H new ATOM 0 HB2 ARG A 91 24.200 8.947 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 91 23.699 7.268 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 91 25.680 6.688 -9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 91 26.053 8.396 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 91 24.824 7.869 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.728 8.754 -8.572 1.00 0.00 H new ATOM 0 HE ARG A 91 22.428 6.839 -8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.454 6.035 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.930 4.405 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.766 4.742 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 91 22.851 3.675 -7.407 1.00 0.00 H new ATOM 1141 N TRP A 92 23.922 6.881 -13.839 1.00 0.00 N ATOM 1142 CA TRP A 92 23.228 6.905 -15.121 1.00 0.00 C ATOM 1143 C TRP A 92 21.757 7.258 -14.945 1.00 0.00 C ATOM 1144 O TRP A 92 21.086 6.737 -14.054 1.00 0.00 O ATOM 1145 CB TRP A 92 23.350 5.549 -15.818 1.00 0.00 C ATOM 1146 CG TRP A 92 24.712 5.289 -16.388 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.797 4.806 -15.720 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.143 5.499 -17.755 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.869 4.702 -16.571 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.487 5.120 -17.821 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.506 5.970 -18.909 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 27.214 5.198 -18.998 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.235 6.047 -20.090 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.554 5.670 -20.133 1.00 0.00 C ATOM 0 H TRP A 92 23.795 6.020 -13.307 1.00 0.00 H new ATOM 0 HA TRP A 92 23.697 7.672 -15.737 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.106 4.760 -15.106 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.613 5.494 -16.619 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.811 4.543 -14.673 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.798 4.368 -16.316 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.468 6.268 -18.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.253 4.904 -19.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 24.756 6.409 -20.988 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.093 5.740 -21.066 1.00 0.00 H new ATOM 1165 N TYR A 93 21.261 8.147 -15.799 1.00 0.00 N ATOM 1166 CA TYR A 93 19.862 8.557 -15.752 1.00 0.00 C ATOM 1167 C TYR A 93 19.239 8.545 -17.142 1.00 0.00 C ATOM 1168 O TYR A 93 19.888 8.894 -18.127 1.00 0.00 O ATOM 1169 CB TYR A 93 19.732 9.946 -15.124 1.00 0.00 C ATOM 1170 CG TYR A 93 20.232 10.020 -13.698 1.00 0.00 C ATOM 1171 CD1 TYR A 93 21.574 10.265 -13.446 1.00 0.00 C ATOM 1172 CD2 TYR A 93 19.350 9.844 -12.643 1.00 0.00 C ATOM 1173 CE1 TYR A 93 22.032 10.333 -12.145 1.00 0.00 C ATOM 1174 CE2 TYR A 93 19.807 9.912 -11.341 1.00 0.00 C ATOM 1175 CZ TYR A 93 21.142 10.155 -11.091 1.00 0.00 C ATOM 1176 OH TYR A 93 21.598 10.223 -9.794 1.00 0.00 O ATOM 0 H TYR A 93 21.808 8.598 -16.533 1.00 0.00 H new ATOM 0 HA TYR A 93 19.323 7.840 -15.133 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.286 10.662 -15.731 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.685 10.249 -15.148 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.261 10.403 -14.268 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.305 9.654 -12.839 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.076 10.524 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 93 19.120 9.775 -10.519 1.00 0.00 H new ATOM 0 HH TYR A 93 22.254 10.947 -9.716 1.00 0.00 H new ATOM 1186 N TYR A 94 17.975 8.142 -17.214 1.00 0.00 N ATOM 1187 CA TYR A 94 17.254 8.103 -18.481 1.00 0.00 C ATOM 1188 C TYR A 94 16.616 9.451 -18.793 1.00 0.00 C ATOM 1189 O TYR A 94 15.847 9.984 -17.993 1.00 0.00 O ATOM 1190 CB TYR A 94 16.189 7.005 -18.458 1.00 0.00 C ATOM 1191 CG TYR A 94 15.432 6.861 -19.760 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.068 6.344 -20.879 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.102 7.247 -19.834 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.376 6.213 -22.068 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.410 7.116 -21.023 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.043 6.602 -22.136 1.00 0.00 C ATOM 1197 OH TYR A 94 13.354 6.472 -23.320 1.00 0.00 O ATOM 0 H TYR A 94 17.428 7.837 -16.409 1.00 0.00 H new ATOM 0 HA TYR A 94 17.973 7.878 -19.268 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.666 6.054 -18.219 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.480 7.216 -17.658 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.104 6.044 -20.821 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.607 7.650 -18.963 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.869 5.810 -22.941 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.374 7.416 -21.081 1.00 0.00 H new ATOM 0 HH TYR A 94 12.434 6.787 -23.199 1.00 0.00 H new ATOM 1207 N ASP A 95 16.940 9.997 -19.960 1.00 0.00 N ATOM 1208 CA ASP A 95 16.285 11.205 -20.449 1.00 0.00 C ATOM 1209 C ASP A 95 15.079 10.865 -21.316 1.00 0.00 C ATOM 1210 O ASP A 95 15.223 10.534 -22.493 1.00 0.00 O ATOM 1211 CB ASP A 95 17.269 12.064 -21.247 1.00 0.00 C ATOM 1212 CG ASP A 95 16.647 13.355 -21.760 1.00 0.00 C ATOM 1213 OD1 ASP A 95 15.442 13.431 -21.815 1.00 0.00 O ATOM 1214 OD2 ASP A 95 17.382 14.254 -22.093 1.00 0.00 O1- ATOM 0 H ASP A 95 17.653 9.622 -20.586 1.00 0.00 H new ATOM 0 HA ASP A 95 15.940 11.768 -19.582 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.126 12.304 -20.618 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.645 11.487 -22.092 1.00 0.00 H new ATOM 1219 N THR A 96 13.891 10.948 -20.727 1.00 0.00 N ATOM 1220 CA THR A 96 12.665 10.572 -21.420 1.00 0.00 C ATOM 1221 C THR A 96 12.389 11.503 -22.595 1.00 0.00 C ATOM 1222 O THR A 96 11.926 11.067 -23.649 1.00 0.00 O ATOM 1223 CB THR A 96 11.460 10.581 -20.460 1.00 0.00 C ATOM 1224 OG1 THR A 96 11.664 9.609 -19.426 1.00 0.00 O ATOM 1225 CG2 THR A 96 10.178 10.256 -21.211 1.00 0.00 C ATOM 0 H THR A 96 13.751 11.273 -19.770 1.00 0.00 H new ATOM 0 HA THR A 96 12.806 9.560 -21.799 1.00 0.00 H new ATOM 0 HB THR A 96 11.370 11.575 -20.022 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.207 10.001 -18.711 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.337 10.267 -20.517 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.015 11.000 -21.991 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.262 9.268 -21.664 1.00 0.00 H new ATOM 1233 N ASN A 97 12.677 12.786 -22.406 1.00 0.00 N ATOM 1234 CA ASN A 97 12.373 13.795 -23.414 1.00 0.00 C ATOM 1235 C ASN A 97 13.173 13.559 -24.689 1.00 0.00 C ATOM 1236 O ASN A 97 12.670 13.758 -25.795 1.00 0.00 O ATOM 1237 CB ASN A 97 12.633 15.188 -22.871 1.00 0.00 C ATOM 1238 CG ASN A 97 11.627 15.600 -21.832 1.00 0.00 C ATOM 1239 OD1 ASN A 97 10.485 15.126 -21.833 1.00 0.00 O ATOM 1240 ND2 ASN A 97 12.029 16.475 -20.945 1.00 0.00 N ATOM 0 H ASN A 97 13.121 13.152 -21.564 1.00 0.00 H new ATOM 0 HA ASN A 97 11.315 13.712 -23.662 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.633 15.225 -22.438 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.615 15.904 -23.693 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.390 16.793 -20.216 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.981 16.839 -20.983 1.00 0.00 H new ATOM 1247 N ASN A 98 14.421 13.132 -24.528 1.00 0.00 N ATOM 1248 CA ASN A 98 15.281 12.834 -25.666 1.00 0.00 C ATOM 1249 C ASN A 98 15.402 11.332 -25.887 1.00 0.00 C ATOM 1250 O ASN A 98 16.006 10.885 -26.862 1.00 0.00 O ATOM 1251 CB ASN A 98 16.652 13.458 -25.477 1.00 0.00 C ATOM 1252 CG ASN A 98 16.622 14.958 -25.574 1.00 0.00 C ATOM 1253 OD1 ASN A 98 16.256 15.518 -26.614 1.00 0.00 O ATOM 1254 ND2 ASN A 98 17.001 15.620 -24.511 1.00 0.00 N ATOM 0 H ASN A 98 14.859 12.985 -23.619 1.00 0.00 H new ATOM 0 HA ASN A 98 14.822 13.267 -26.555 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.048 13.168 -24.504 1.00 0.00 H new ATOM 0 HB3 ASN A 98 17.334 13.062 -26.229 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.002 16.640 -24.519 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.295 15.116 -23.674 1.00 0.00 H new ATOM 1261 N ALA A 99 14.824 10.557 -24.976 1.00 0.00 N ATOM 1262 CA ALA A 99 14.797 9.105 -25.111 1.00 0.00 C ATOM 1263 C ALA A 99 16.205 8.537 -25.236 1.00 0.00 C ATOM 1264 O ALA A 99 16.511 7.813 -26.183 1.00 0.00 O ATOM 1265 CB ALA A 99 13.955 8.700 -26.312 1.00 0.00 C ATOM 0 H ALA A 99 14.367 10.910 -24.135 1.00 0.00 H new ATOM 0 HA ALA A 99 14.346 8.692 -24.209 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.945 7.614 -26.399 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.936 9.063 -26.181 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.381 9.133 -27.217 1.00 0.00 H new ATOM 1271 N THR A 100 17.059 8.870 -24.274 1.00 0.00 N ATOM 1272 CA THR A 100 18.448 8.426 -24.295 1.00 0.00 C ATOM 1273 C THR A 100 18.991 8.249 -22.883 1.00 0.00 C ATOM 1274 O THR A 100 18.550 8.919 -21.949 1.00 0.00 O ATOM 1275 CB THR A 100 19.335 9.418 -25.070 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.663 8.890 -25.180 1.00 0.00 O ATOM 1277 CG2 THR A 100 19.385 10.760 -24.357 1.00 0.00 C ATOM 0 H THR A 100 16.813 9.446 -23.469 1.00 0.00 H new ATOM 0 HA THR A 100 18.471 7.462 -24.803 1.00 0.00 H new ATOM 0 HB THR A 100 18.910 9.562 -26.063 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.226 9.521 -25.675 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.016 11.448 -24.920 1.00 0.00 H new ATOM 0 HG22 THR A 100 18.378 11.170 -24.283 1.00 0.00 H new ATOM 0 HG23 THR A 100 19.797 10.625 -23.357 1.00 0.00 H new ATOM 1285 N CYS A 101 19.952 7.344 -22.733 1.00 0.00 N ATOM 1286 CA CYS A 101 20.606 7.126 -21.449 1.00 0.00 C ATOM 1287 C CYS A 101 21.953 7.835 -21.389 1.00 0.00 C ATOM 1288 O CYS A 101 22.808 7.637 -22.251 1.00 0.00 O ATOM 1289 CB CYS A 101 20.810 5.632 -21.196 1.00 0.00 C ATOM 1290 SG CYS A 101 19.273 4.692 -21.041 1.00 0.00 S ATOM 0 H CYS A 101 20.296 6.749 -23.487 1.00 0.00 H new ATOM 0 HA CYS A 101 19.957 7.539 -20.677 1.00 0.00 H new ATOM 0 HB2 CYS A 101 21.398 5.213 -22.012 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.394 5.505 -20.284 1.00 0.00 H new ATOM 1295 N GLU A 102 22.135 8.662 -20.365 1.00 0.00 N ATOM 1296 CA GLU A 102 23.374 9.413 -20.198 1.00 0.00 C ATOM 1297 C GLU A 102 23.847 9.380 -18.750 1.00 0.00 C ATOM 1298 O GLU A 102 23.061 9.131 -17.836 1.00 0.00 O ATOM 1299 CB GLU A 102 23.185 10.862 -20.650 1.00 0.00 C ATOM 1300 CG GLU A 102 22.896 11.025 -22.135 1.00 0.00 C ATOM 1301 CD GLU A 102 22.759 12.464 -22.550 1.00 0.00 C ATOM 1302 OE1 GLU A 102 22.833 13.317 -21.699 1.00 0.00 O ATOM 1303 OE2 GLU A 102 22.581 12.709 -23.720 1.00 0.00 O1- ATOM 0 H GLU A 102 21.440 8.829 -19.638 1.00 0.00 H new ATOM 0 HA GLU A 102 24.135 8.941 -20.819 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.366 11.303 -20.082 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.084 11.427 -20.403 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.698 10.561 -22.709 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.978 10.492 -22.382 1.00 0.00 H new ATOM 1310 N MET A 103 25.136 9.631 -18.548 1.00 0.00 N ATOM 1311 CA MET A 103 25.719 9.618 -17.212 1.00 0.00 C ATOM 1312 C MET A 103 25.887 11.032 -16.670 1.00 0.00 C ATOM 1313 O MET A 103 26.443 11.902 -17.341 1.00 0.00 O ATOM 1314 CB MET A 103 27.061 8.891 -17.229 1.00 0.00 C ATOM 1315 CG MET A 103 27.713 8.740 -15.861 1.00 0.00 C ATOM 1316 SD MET A 103 29.218 7.747 -15.915 1.00 0.00 S ATOM 1317 CE MET A 103 30.346 8.885 -16.712 1.00 0.00 C ATOM 0 H MET A 103 25.798 9.846 -19.294 1.00 0.00 H new ATOM 0 HA MET A 103 25.037 9.085 -16.550 1.00 0.00 H new ATOM 0 HB2 MET A 103 26.918 7.901 -17.661 1.00 0.00 H new ATOM 0 HB3 MET A 103 27.744 9.430 -17.886 1.00 0.00 H new ATOM 0 HG2 MET A 103 27.948 9.727 -15.464 1.00 0.00 H new ATOM 0 HG3 MET A 103 27.003 8.280 -15.173 1.00 0.00 H new ATOM 0 HE1 MET A 103 31.355 8.473 -16.690 1.00 0.00 H new ATOM 0 HE2 MET A 103 30.039 9.037 -17.747 1.00 0.00 H new ATOM 0 HE3 MET A 103 30.333 9.839 -16.185 1.00 0.00 H new ATOM 1327 N PHE A 104 25.403 11.256 -15.453 1.00 0.00 N ATOM 1328 CA PHE A 104 25.406 12.588 -14.860 1.00 0.00 C ATOM 1329 C PHE A 104 26.113 12.588 -13.511 1.00 0.00 C ATOM 1330 O PHE A 104 26.349 11.533 -12.922 1.00 0.00 O ATOM 1331 CB PHE A 104 23.975 13.101 -14.692 1.00 0.00 C ATOM 1332 CG PHE A 104 23.240 13.282 -15.989 1.00 0.00 C ATOM 1333 CD1 PHE A 104 22.523 12.235 -16.549 1.00 0.00 C ATOM 1334 CD2 PHE A 104 23.264 14.499 -16.654 1.00 0.00 C ATOM 1335 CE1 PHE A 104 21.846 12.400 -17.742 1.00 0.00 C ATOM 1336 CE2 PHE A 104 22.587 14.667 -17.846 1.00 0.00 C ATOM 1337 CZ PHE A 104 21.878 13.616 -18.391 1.00 0.00 C ATOM 0 H PHE A 104 25.003 10.531 -14.857 1.00 0.00 H new ATOM 0 HA PHE A 104 25.948 13.250 -15.535 1.00 0.00 H new ATOM 0 HB2 PHE A 104 23.420 12.403 -14.065 1.00 0.00 H new ATOM 0 HB3 PHE A 104 24.000 14.054 -14.163 1.00 0.00 H new ATOM 0 HD1 PHE A 104 22.494 11.279 -16.047 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.819 15.325 -16.235 1.00 0.00 H new ATOM 0 HE1 PHE A 104 21.291 11.576 -18.166 1.00 0.00 H new ATOM 0 HE2 PHE A 104 22.612 15.621 -18.352 1.00 0.00 H new ATOM 0 HZ PHE A 104 21.349 13.746 -19.324 1.00 0.00 H new ATOM 1347 N THR A 105 26.449 13.779 -13.025 1.00 0.00 N ATOM 1348 CA THR A 105 27.112 13.920 -11.734 1.00 0.00 C ATOM 1349 C THR A 105 26.098 13.979 -10.598 1.00 0.00 C ATOM 1350 O THR A 105 25.313 14.923 -10.503 1.00 0.00 O ATOM 1351 CB THR A 105 27.999 15.178 -11.701 1.00 0.00 C ATOM 1352 OG1 THR A 105 29.001 15.086 -12.723 1.00 0.00 O ATOM 1353 CG2 THR A 105 28.674 15.319 -10.346 1.00 0.00 C ATOM 0 H THR A 105 26.273 14.661 -13.507 1.00 0.00 H new ATOM 0 HA THR A 105 27.742 13.041 -11.597 1.00 0.00 H new ATOM 0 HB THR A 105 27.371 16.052 -11.875 1.00 0.00 H new ATOM 0 HG1 THR A 105 29.564 15.888 -12.702 1.00 0.00 H new ATOM 0 HG21 THR A 105 29.297 16.214 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 105 27.915 15.401 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.295 14.444 -10.156 1.00 0.00 H new ATOM 1361 N TYR A 106 26.120 12.966 -9.739 1.00 0.00 N ATOM 1362 CA TYR A 106 25.155 12.863 -8.651 1.00 0.00 C ATOM 1363 C TYR A 106 25.593 13.686 -7.446 1.00 0.00 C ATOM 1364 O TYR A 106 26.673 13.471 -6.896 1.00 0.00 O ATOM 1365 CB TYR A 106 24.955 11.400 -8.250 1.00 0.00 C ATOM 1366 CG TYR A 106 23.949 11.204 -7.137 1.00 0.00 C ATOM 1367 CD1 TYR A 106 22.668 11.721 -7.261 1.00 0.00 C ATOM 1368 CD2 TYR A 106 24.308 10.507 -5.993 1.00 0.00 C ATOM 1369 CE1 TYR A 106 21.750 11.543 -6.244 1.00 0.00 C ATOM 1370 CE2 TYR A 106 23.390 10.328 -4.977 1.00 0.00 C ATOM 1371 CZ TYR A 106 22.116 10.843 -5.100 1.00 0.00 C ATOM 1372 OH TYR A 106 21.201 10.665 -4.087 1.00 0.00 O ATOM 0 H TYR A 106 26.797 12.204 -9.775 1.00 0.00 H new ATOM 0 HA TYR A 106 24.206 13.263 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 106 24.631 10.835 -9.124 1.00 0.00 H new ATOM 0 HB3 TYR A 106 25.913 10.984 -7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 106 22.388 12.263 -8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 106 25.305 10.104 -5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 106 20.752 11.946 -6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 106 23.669 9.785 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 106 20.335 11.034 -4.360 1.00 0.00 H new ATOM 1382 N GLY A 107 24.748 14.628 -7.041 1.00 0.00 N ATOM 1383 CA GLY A 107 25.126 15.614 -6.036 1.00 0.00 C ATOM 1384 C GLY A 107 24.853 15.099 -4.629 1.00 0.00 C ATOM 1385 O GLY A 107 25.374 15.633 -3.650 1.00 0.00 O ATOM 0 H GLY A 107 23.796 14.729 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 107 26.184 15.855 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.571 16.537 -6.202 1.00 0.00 H new ATOM 1389 N GLY A 108 24.031 14.059 -4.534 1.00 0.00 N ATOM 1390 CA GLY A 108 23.771 13.402 -3.259 1.00 0.00 C ATOM 1391 C GLY A 108 22.476 13.905 -2.634 1.00 0.00 C ATOM 1392 O GLY A 108 22.286 13.818 -1.421 1.00 0.00 O ATOM 0 H GLY A 108 23.533 13.653 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 108 23.711 12.324 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 108 24.602 13.584 -2.577 1.00 0.00 H new ATOM 1396 N ILE A 109 21.587 14.432 -3.470 1.00 0.00 N ATOM 1397 CA ILE A 109 20.315 14.966 -2.999 1.00 0.00 C ATOM 1398 C ILE A 109 19.165 14.027 -3.336 1.00 0.00 C ATOM 1399 O ILE A 109 18.423 14.256 -4.292 1.00 0.00 O ATOM 1400 CB ILE A 109 20.042 16.353 -3.610 1.00 0.00 C ATOM 1401 CG1 ILE A 109 21.215 17.298 -3.333 1.00 0.00 C ATOM 1402 CG2 ILE A 109 18.748 16.931 -3.060 1.00 0.00 C ATOM 1403 CD1 ILE A 109 21.495 17.510 -1.863 1.00 0.00 C ATOM 0 H ILE A 109 21.725 14.500 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 109 20.384 15.061 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 109 19.936 16.242 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 109 22.111 16.900 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 109 21.009 18.263 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 109 18.570 17.911 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 109 17.919 16.267 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 109 18.825 17.030 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 109 22.339 18.190 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 109 20.615 17.938 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 109 21.733 16.554 -1.396 1.00 0.00 H new ATOM 1415 N THR A 110 19.020 12.969 -2.546 1.00 0.00 N ATOM 1416 CA THR A 110 17.932 12.016 -2.732 1.00 0.00 C ATOM 1417 C THR A 110 17.773 11.641 -4.200 1.00 0.00 C ATOM 1418 O THR A 110 18.753 11.357 -4.888 1.00 0.00 O ATOM 1419 CB THR A 110 16.604 12.581 -2.195 1.00 0.00 C ATOM 1420 OG1 THR A 110 16.162 13.653 -3.039 1.00 0.00 O ATOM 1421 CG2 THR A 110 16.779 13.098 -0.775 1.00 0.00 C ATOM 0 H THR A 110 19.644 12.749 -1.769 1.00 0.00 H new ATOM 0 HA THR A 110 18.188 11.119 -2.168 1.00 0.00 H new ATOM 0 HB THR A 110 15.862 11.782 -2.191 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.841 13.832 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 110 15.830 13.493 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 110 17.103 12.283 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.529 13.889 -0.766 1.00 0.00 H new ATOM 1429 N GLY A 111 16.531 11.642 -4.674 1.00 0.00 N ATOM 1430 CA GLY A 111 16.244 11.326 -6.068 1.00 0.00 C ATOM 1431 C GLY A 111 14.968 10.504 -6.195 1.00 0.00 C ATOM 1432 O GLY A 111 14.087 10.571 -5.337 1.00 0.00 O ATOM 0 H GLY A 111 15.707 11.858 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.144 12.249 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.080 10.774 -6.498 1.00 0.00 H new ATOM 1436 N ASN A 112 14.874 9.727 -7.269 1.00 0.00 N ATOM 1437 CA ASN A 112 13.692 8.913 -7.525 1.00 0.00 C ATOM 1438 C ASN A 112 14.059 7.620 -8.243 1.00 0.00 C ATOM 1439 O ASN A 112 15.237 7.303 -8.408 1.00 0.00 O ATOM 1440 CB ASN A 112 12.668 9.696 -8.326 1.00 0.00 C ATOM 1441 CG ASN A 112 13.200 10.152 -9.656 1.00 0.00 C ATOM 1442 OD1 ASN A 112 13.451 9.336 -10.551 1.00 0.00 O ATOM 1443 ND2 ASN A 112 13.377 11.440 -9.804 1.00 0.00 N ATOM 0 H ASN A 112 15.604 9.644 -7.977 1.00 0.00 H new ATOM 0 HA ASN A 112 13.252 8.649 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 112 11.786 9.076 -8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 112 12.348 10.564 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 112 13.736 11.808 -10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.156 12.076 -9.038 1.00 0.00 H new ATOM 1450 N LYS A 113 13.043 6.877 -8.668 1.00 0.00 N ATOM 1451 CA LYS A 113 13.247 5.538 -9.209 1.00 0.00 C ATOM 1452 C LYS A 113 14.187 5.566 -10.407 1.00 0.00 C ATOM 1453 O LYS A 113 14.931 4.615 -10.647 1.00 0.00 O ATOM 1454 CB LYS A 113 11.910 4.911 -9.603 1.00 0.00 C ATOM 1455 CG LYS A 113 11.982 3.423 -9.919 1.00 0.00 C ATOM 1456 CD LYS A 113 10.610 2.864 -10.268 1.00 0.00 C ATOM 1457 CE LYS A 113 10.677 1.373 -10.561 1.00 0.00 C ATOM 1458 NZ LYS A 113 9.362 0.833 -11.002 1.00 0.00 N1+ ATOM 0 H LYS A 113 12.069 7.180 -8.648 1.00 0.00 H new ATOM 0 HA LYS A 113 13.707 4.929 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.198 5.064 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.519 5.437 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.666 3.259 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.388 2.886 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.921 3.044 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.211 3.389 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.423 1.188 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.006 0.842 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.451 -0.186 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.656 0.986 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.059 1.321 -11.869 1.00 0.00 H new ATOM 1472 N ASN A 114 14.148 6.662 -11.158 1.00 0.00 N ATOM 1473 CA ASN A 114 15.040 6.843 -12.297 1.00 0.00 C ATOM 1474 C ASN A 114 16.475 7.077 -11.840 1.00 0.00 C ATOM 1475 O ASN A 114 16.933 8.216 -11.761 1.00 0.00 O ATOM 1476 CB ASN A 114 14.565 7.988 -13.171 1.00 0.00 C ATOM 1477 CG ASN A 114 15.365 8.118 -14.438 1.00 0.00 C ATOM 1478 OD1 ASN A 114 16.375 7.430 -14.622 1.00 0.00 O ATOM 1479 ND2 ASN A 114 14.933 8.989 -15.314 1.00 0.00 N ATOM 0 H ASN A 114 13.507 7.439 -10.998 1.00 0.00 H new ATOM 0 HA ASN A 114 15.021 5.927 -12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.515 7.837 -13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.628 8.920 -12.609 1.00 0.00 H new ATOM 0 HD21 ASN A 114 15.435 9.122 -16.192 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.094 9.535 -15.119 1.00 0.00 H new ATOM 1486 N ASN A 115 17.179 5.991 -11.540 1.00 0.00 N ATOM 1487 CA ASN A 115 18.522 6.079 -10.979 1.00 0.00 C ATOM 1488 C ASN A 115 19.300 4.789 -11.203 1.00 0.00 C ATOM 1489 O ASN A 115 19.116 3.809 -10.482 1.00 0.00 O ATOM 1490 CB ASN A 115 18.461 6.416 -9.500 1.00 0.00 C ATOM 1491 CG ASN A 115 19.822 6.647 -8.903 1.00 0.00 C ATOM 1492 OD1 ASN A 115 20.830 6.143 -9.411 1.00 0.00 O ATOM 1493 ND2 ASN A 115 19.870 7.401 -7.835 1.00 0.00 N ATOM 0 H ASN A 115 16.841 5.038 -11.676 1.00 0.00 H new ATOM 0 HA ASN A 115 19.049 6.881 -11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 115 17.850 7.308 -9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.967 5.604 -8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 115 20.766 7.594 -7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 115 19.012 7.796 -7.451 1.00 0.00 H new ATOM 1500 N PHE A 116 20.169 4.795 -12.208 1.00 0.00 N ATOM 1501 CA PHE A 116 20.868 3.586 -12.624 1.00 0.00 C ATOM 1502 C PHE A 116 22.367 3.705 -12.382 1.00 0.00 C ATOM 1503 O PHE A 116 22.893 4.806 -12.216 1.00 0.00 O ATOM 1504 CB PHE A 116 20.607 3.299 -14.104 1.00 0.00 C ATOM 1505 CG PHE A 116 19.149 3.222 -14.458 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.489 4.324 -14.982 1.00 0.00 C ATOM 1507 CD2 PHE A 116 18.434 2.049 -14.268 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.148 4.255 -15.308 1.00 0.00 C ATOM 1509 CE2 PHE A 116 17.094 1.977 -14.594 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.450 3.081 -15.114 1.00 0.00 C ATOM 0 H PHE A 116 20.406 5.626 -12.750 1.00 0.00 H new ATOM 0 HA PHE A 116 20.485 2.760 -12.024 1.00 0.00 H new ATOM 0 HB2 PHE A 116 21.076 4.078 -14.704 1.00 0.00 H new ATOM 0 HB3 PHE A 116 21.087 2.358 -14.372 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.029 5.246 -15.137 1.00 0.00 H new ATOM 0 HD2 PHE A 116 18.931 1.181 -13.860 1.00 0.00 H new ATOM 0 HE1 PHE A 116 16.646 5.120 -15.715 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.550 1.056 -14.442 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.402 3.026 -15.369 1.00 0.00 H new ATOM 1520 N GLU A 117 23.051 2.566 -12.363 1.00 0.00 N ATOM 1521 CA GLU A 117 24.496 2.543 -12.169 1.00 0.00 C ATOM 1522 C GLU A 117 25.200 1.890 -13.351 1.00 0.00 C ATOM 1523 O GLU A 117 26.334 1.426 -13.232 1.00 0.00 O ATOM 1524 CB GLU A 117 24.849 1.799 -10.879 1.00 0.00 C ATOM 1525 CG GLU A 117 24.330 2.460 -9.610 1.00 0.00 C ATOM 1526 CD GLU A 117 24.787 1.764 -8.358 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.410 0.735 -8.467 1.00 0.00 O ATOM 1528 OE2 GLU A 117 24.513 2.262 -7.292 1.00 0.00 O1- ATOM 0 H GLU A 117 22.627 1.646 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 117 24.838 3.575 -12.093 1.00 0.00 H new ATOM 0 HB2 GLU A 117 24.449 0.787 -10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 117 25.933 1.710 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 117 24.663 3.498 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 117 23.240 2.475 -9.634 1.00 0.00 H new ATOM 1535 N SER A 118 24.522 1.859 -14.493 1.00 0.00 N ATOM 1536 CA SER A 118 25.097 1.299 -15.711 1.00 0.00 C ATOM 1537 C SER A 118 24.247 1.638 -16.928 1.00 0.00 C ATOM 1538 O SER A 118 23.022 1.725 -16.837 1.00 0.00 O ATOM 1539 CB SER A 118 25.231 -0.206 -15.580 1.00 0.00 C ATOM 1540 OG SER A 118 25.755 -0.767 -16.753 1.00 0.00 O ATOM 0 H SER A 118 23.572 2.215 -14.601 1.00 0.00 H new ATOM 0 HA SER A 118 26.084 1.740 -15.851 1.00 0.00 H new ATOM 0 HB2 SER A 118 25.879 -0.445 -14.737 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.256 -0.644 -15.367 1.00 0.00 H new ATOM 0 HG SER A 118 25.834 -1.738 -16.644 1.00 0.00 H new ATOM 1546 N GLU A 119 24.903 1.828 -18.068 1.00 0.00 N ATOM 1547 CA GLU A 119 24.203 2.048 -19.328 1.00 0.00 C ATOM 1548 C GLU A 119 23.231 0.913 -19.623 1.00 0.00 C ATOM 1549 O GLU A 119 22.094 1.147 -20.031 1.00 0.00 O ATOM 1550 CB GLU A 119 25.204 2.186 -20.477 1.00 0.00 C ATOM 1551 CG GLU A 119 24.569 2.427 -21.839 1.00 0.00 C ATOM 1552 CD GLU A 119 25.582 2.584 -22.938 1.00 0.00 C ATOM 1553 OE1 GLU A 119 26.746 2.694 -22.635 1.00 0.00 O ATOM 1554 OE2 GLU A 119 25.192 2.593 -24.082 1.00 0.00 O1- ATOM 0 H GLU A 119 25.920 1.834 -18.145 1.00 0.00 H new ATOM 0 HA GLU A 119 23.634 2.973 -19.236 1.00 0.00 H new ATOM 0 HB2 GLU A 119 25.882 3.010 -20.255 1.00 0.00 H new ATOM 0 HB3 GLU A 119 25.809 1.280 -20.527 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.907 1.594 -22.078 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.950 3.323 -21.792 1.00 0.00 H new ATOM 1561 N GLU A 120 23.685 -0.318 -19.413 1.00 0.00 N ATOM 1562 CA GLU A 120 22.847 -1.491 -19.631 1.00 0.00 C ATOM 1563 C GLU A 120 21.580 -1.428 -18.788 1.00 0.00 C ATOM 1564 O GLU A 120 20.478 -1.645 -19.291 1.00 0.00 O ATOM 1565 CB GLU A 120 23.624 -2.769 -19.306 1.00 0.00 C ATOM 1566 CG GLU A 120 22.842 -4.055 -19.532 1.00 0.00 C ATOM 1567 CD GLU A 120 23.647 -5.290 -19.237 1.00 0.00 C ATOM 1568 OE1 GLU A 120 24.794 -5.157 -18.883 1.00 0.00 O ATOM 1569 OE2 GLU A 120 23.115 -6.367 -19.367 1.00 0.00 O1- ATOM 0 H GLU A 120 24.630 -0.529 -19.092 1.00 0.00 H new ATOM 0 HA GLU A 120 22.559 -1.504 -20.682 1.00 0.00 H new ATOM 0 HB2 GLU A 120 24.527 -2.795 -19.916 1.00 0.00 H new ATOM 0 HB3 GLU A 120 23.943 -2.731 -18.265 1.00 0.00 H new ATOM 0 HG2 GLU A 120 21.952 -4.049 -18.902 1.00 0.00 H new ATOM 0 HG3 GLU A 120 22.500 -4.089 -20.566 1.00 0.00 H new ATOM 1576 N GLU A 121 21.744 -1.129 -17.504 1.00 0.00 N ATOM 1577 CA GLU A 121 20.615 -1.053 -16.585 1.00 0.00 C ATOM 1578 C GLU A 121 19.567 -0.065 -17.081 1.00 0.00 C ATOM 1579 O GLU A 121 18.372 -0.360 -17.078 1.00 0.00 O ATOM 1580 CB GLU A 121 21.091 -0.648 -15.188 1.00 0.00 C ATOM 1581 CG GLU A 121 21.870 -1.728 -14.451 1.00 0.00 C ATOM 1582 CD GLU A 121 22.402 -1.263 -13.124 1.00 0.00 C ATOM 1583 OE1 GLU A 121 22.282 -0.098 -12.832 1.00 0.00 O ATOM 1584 OE2 GLU A 121 22.929 -2.075 -12.401 1.00 0.00 O1- ATOM 0 H GLU A 121 22.649 -0.935 -17.076 1.00 0.00 H new ATOM 0 HA GLU A 121 20.159 -2.042 -16.535 1.00 0.00 H new ATOM 0 HB2 GLU A 121 21.717 0.240 -15.274 1.00 0.00 H new ATOM 0 HB3 GLU A 121 20.224 -0.369 -14.589 1.00 0.00 H new ATOM 0 HG2 GLU A 121 21.224 -2.592 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.701 -2.059 -15.074 1.00 0.00 H new ATOM 1591 N CYS A 122 20.022 1.108 -17.507 1.00 0.00 N ATOM 1592 CA CYS A 122 19.123 2.143 -18.004 1.00 0.00 C ATOM 1593 C CYS A 122 18.337 1.656 -19.214 1.00 0.00 C ATOM 1594 O CYS A 122 17.107 1.715 -19.233 1.00 0.00 O ATOM 1595 CB CYS A 122 19.908 3.399 -18.385 1.00 0.00 C ATOM 1596 SG CYS A 122 18.885 4.738 -19.042 1.00 0.00 S ATOM 0 H CYS A 122 21.009 1.366 -17.518 1.00 0.00 H new ATOM 0 HA CYS A 122 18.423 2.380 -17.203 1.00 0.00 H new ATOM 0 HB2 CYS A 122 20.442 3.761 -17.506 1.00 0.00 H new ATOM 0 HB3 CYS A 122 20.660 3.133 -19.128 1.00 0.00 H new ATOM 1601 N LYS A 123 19.053 1.174 -20.224 1.00 0.00 N ATOM 1602 CA LYS A 123 18.443 0.842 -21.506 1.00 0.00 C ATOM 1603 C LYS A 123 17.573 -0.404 -21.397 1.00 0.00 C ATOM 1604 O LYS A 123 16.474 -0.456 -21.949 1.00 0.00 O ATOM 1605 CB LYS A 123 19.519 0.640 -22.575 1.00 0.00 C ATOM 1606 CG LYS A 123 20.214 1.920 -23.017 1.00 0.00 C ATOM 1607 CD LYS A 123 21.289 1.635 -24.056 1.00 0.00 C ATOM 1608 CE LYS A 123 21.849 2.923 -24.642 1.00 0.00 C ATOM 1609 NZ LYS A 123 22.980 2.664 -25.573 1.00 0.00 N1+ ATOM 0 H LYS A 123 20.058 1.004 -20.179 1.00 0.00 H new ATOM 0 HA LYS A 123 17.806 1.677 -21.798 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.269 -0.053 -22.192 1.00 0.00 H new ATOM 0 HB3 LYS A 123 19.064 0.168 -23.446 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.479 2.611 -23.431 1.00 0.00 H new ATOM 0 HG3 LYS A 123 20.662 2.410 -22.153 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.095 1.060 -23.600 1.00 0.00 H new ATOM 0 HD3 LYS A 123 20.872 1.021 -24.854 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.058 3.455 -25.171 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.185 3.573 -23.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.935 3.333 -26.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.881 2.786 -25.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.916 1.691 -25.935 1.00 0.00 H new ATOM 1623 N GLU A 124 18.071 -1.406 -20.681 1.00 0.00 N ATOM 1624 CA GLU A 124 17.379 -2.684 -20.566 1.00 0.00 C ATOM 1625 C GLU A 124 16.110 -2.551 -19.733 1.00 0.00 C ATOM 1626 O GLU A 124 15.113 -3.224 -19.992 1.00 0.00 O ATOM 1627 CB GLU A 124 18.300 -3.736 -19.945 1.00 0.00 C ATOM 1628 CG GLU A 124 19.464 -4.155 -20.832 1.00 0.00 C ATOM 1629 CD GLU A 124 19.019 -4.747 -22.140 1.00 0.00 C ATOM 1630 OE1 GLU A 124 18.171 -5.606 -22.124 1.00 0.00 O ATOM 1631 OE2 GLU A 124 19.528 -4.338 -23.158 1.00 0.00 O1- ATOM 0 H GLU A 124 18.953 -1.357 -20.171 1.00 0.00 H new ATOM 0 HA GLU A 124 17.099 -3.002 -21.570 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.696 -3.347 -19.007 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.710 -4.619 -19.700 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.096 -3.288 -21.027 1.00 0.00 H new ATOM 0 HG3 GLU A 124 20.077 -4.882 -20.299 1.00 0.00 H new ATOM 1638 N THR A 125 16.155 -1.678 -18.732 1.00 0.00 N ATOM 1639 CA THR A 125 14.975 -1.367 -17.934 1.00 0.00 C ATOM 1640 C THR A 125 13.874 -0.759 -18.792 1.00 0.00 C ATOM 1641 O THR A 125 12.700 -1.097 -18.644 1.00 0.00 O ATOM 1642 CB THR A 125 15.323 -0.407 -16.781 1.00 0.00 C ATOM 1643 OG1 THR A 125 16.245 -1.044 -15.887 1.00 0.00 O ATOM 1644 CG2 THR A 125 14.068 -0.016 -16.016 1.00 0.00 C ATOM 0 H THR A 125 16.997 -1.173 -18.454 1.00 0.00 H new ATOM 0 HA THR A 125 14.613 -2.305 -17.514 1.00 0.00 H new ATOM 0 HB THR A 125 15.775 0.492 -17.200 1.00 0.00 H new ATOM 0 HG1 THR A 125 17.142 -0.675 -16.025 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.333 0.662 -15.205 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.370 0.480 -16.691 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.600 -0.910 -15.603 1.00 0.00 H new ATOM 1652 N CYS A 126 14.260 0.141 -19.691 1.00 0.00 N ATOM 1653 CA CYS A 126 13.312 0.766 -20.606 1.00 0.00 C ATOM 1654 C CYS A 126 12.734 -0.253 -21.579 1.00 0.00 C ATOM 1655 O CYS A 126 11.571 -0.160 -21.972 1.00 0.00 O ATOM 1656 CB CYS A 126 13.986 1.890 -21.392 1.00 0.00 C ATOM 1657 SG CYS A 126 14.464 3.314 -20.384 1.00 0.00 S ATOM 0 H CYS A 126 15.224 0.454 -19.805 1.00 0.00 H new ATOM 0 HA CYS A 126 12.501 1.179 -20.007 1.00 0.00 H new ATOM 0 HB2 CYS A 126 14.874 1.493 -21.884 1.00 0.00 H new ATOM 0 HB3 CYS A 126 13.309 2.226 -22.178 1.00 0.00 H new ATOM 1662 N LYS A 127 13.553 -1.225 -21.967 1.00 0.00 N ATOM 1663 CA LYS A 127 13.088 -2.337 -22.787 1.00 0.00 C ATOM 1664 C LYS A 127 12.046 -3.168 -22.050 1.00 0.00 C ATOM 1665 O LYS A 127 11.065 -3.618 -22.642 1.00 0.00 O ATOM 1666 CB LYS A 127 14.263 -3.220 -23.209 1.00 0.00 C ATOM 1667 CG LYS A 127 15.208 -2.573 -24.213 1.00 0.00 C ATOM 1668 CD LYS A 127 16.369 -3.495 -24.553 1.00 0.00 C ATOM 1669 CE LYS A 127 17.387 -2.800 -25.445 1.00 0.00 C ATOM 1670 NZ LYS A 127 18.555 -3.672 -25.742 1.00 0.00 N1+ ATOM 0 H LYS A 127 14.543 -1.265 -21.726 1.00 0.00 H new ATOM 0 HA LYS A 127 12.621 -1.920 -23.679 1.00 0.00 H new ATOM 0 HB2 LYS A 127 14.831 -3.497 -22.321 1.00 0.00 H new ATOM 0 HB3 LYS A 127 13.872 -4.143 -23.638 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.661 -2.323 -25.122 1.00 0.00 H new ATOM 0 HG3 LYS A 127 15.591 -1.638 -23.805 1.00 0.00 H new ATOM 0 HD2 LYS A 127 16.854 -3.826 -23.635 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.993 -4.387 -25.054 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.909 -2.504 -26.379 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.731 -1.887 -24.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.255 -3.138 -26.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.987 -3.989 -24.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.241 -4.499 -26.288 1.00 0.00 H new ATOM 1684 N GLY A 128 12.265 -3.368 -20.755 1.00 0.00 N ATOM 1685 CA GLY A 128 11.329 -4.120 -19.927 1.00 0.00 C ATOM 1686 C GLY A 128 12.004 -5.328 -19.291 1.00 0.00 C ATOM 1687 O GLY A 128 11.380 -6.373 -19.105 1.00 0.00 O ATOM 0 H GLY A 128 13.083 -3.020 -20.256 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.927 -3.472 -19.148 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.486 -4.449 -20.534 1.00 0.00 H new ATOM 1691 N PHE A 129 13.282 -5.180 -18.960 1.00 0.00 N ATOM 1692 CA PHE A 129 14.041 -6.256 -18.335 1.00 0.00 C ATOM 1693 C PHE A 129 13.541 -6.536 -16.924 1.00 0.00 C ATOM 1694 O PHE A 129 13.432 -5.626 -16.102 1.00 0.00 O ATOM 1695 CB PHE A 129 15.530 -5.906 -18.294 1.00 0.00 C ATOM 1696 CG PHE A 129 16.392 -6.989 -17.710 1.00 0.00 C ATOM 1697 CD1 PHE A 129 16.718 -8.113 -18.456 1.00 0.00 C ATOM 1698 CD2 PHE A 129 16.877 -6.888 -16.415 1.00 0.00 C ATOM 1699 CE1 PHE A 129 17.510 -9.110 -17.920 1.00 0.00 C ATOM 1700 CE2 PHE A 129 17.670 -7.883 -15.878 1.00 0.00 C ATOM 1701 CZ PHE A 129 17.987 -8.995 -16.631 1.00 0.00 C ATOM 0 H PHE A 129 13.814 -4.324 -19.115 1.00 0.00 H new ATOM 0 HA PHE A 129 13.899 -7.154 -18.936 1.00 0.00 H new ATOM 0 HB2 PHE A 129 15.871 -5.690 -19.307 1.00 0.00 H new ATOM 0 HB3 PHE A 129 15.663 -4.995 -17.711 1.00 0.00 H new ATOM 0 HD1 PHE A 129 16.349 -8.209 -19.466 1.00 0.00 H new ATOM 0 HD2 PHE A 129 16.632 -6.021 -15.819 1.00 0.00 H new ATOM 0 HE1 PHE A 129 17.756 -9.980 -18.511 1.00 0.00 H new ATOM 0 HE2 PHE A 129 18.042 -7.791 -14.868 1.00 0.00 H new ATOM 0 HZ PHE A 129 18.607 -9.774 -16.212 1.00 0.00 H new