USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 70 TYR OH : rot 165:sc= -0.0512 USER MOD Set 1.2: A 85 SER OG : rot 85:sc= -0.445! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.56 F(o=-3.9!,f=-1.6) USER MOD Single : A 23 THR OG1 : rot 92:sc= -4.31! USER MOD Single : A 30 LYS NZ :NH3+ -166:sc=-0.00734 (180deg=-0.175) USER MOD Single : A 35 TYR OH : rot 15:sc= -1.63 USER MOD Single : A 37 SER OG : rot 68:sc= -2.14! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -172:sc= 0 (180deg=-0.108) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -2.25! (180deg=-3.2!) USER MOD Single : A 44 ASN :FLIP amide:sc= -5.89! C(o=-7.2!,f=-5.9!) USER MOD Single : A 46 MET CE :methyl 180:sc= -1.48 (180deg=-1.48) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0775 F(o=-0.65,f=-0.077) USER MOD Single : A 64 HIS : no HE2:sc= -9.1! C(o=-9.1!,f=-11!) USER MOD Single : A 65 ASN : amide:sc= -5.42! C(o=-5.4!,f=-6.6!) USER MOD Single : A 66 THR OG1 : rot -36:sc= 0.321 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -9.15! C(o=-9.1!,f=-9.6!) USER MOD Single : A 79 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.11) USER MOD Single : A 81 SER OG : rot -79:sc= 0.112 USER MOD Single : A 83 ASN : amide:sc= 0.121 X(o=0.12,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -6.485 25.287 -10.440 1.00 0.00 N ATOM 16 CA ASP A 4 -5.268 24.501 -10.600 1.00 0.00 C ATOM 17 C ASP A 4 -4.158 25.025 -9.695 1.00 0.00 C ATOM 18 O ASP A 4 -3.658 26.134 -9.887 1.00 0.00 O ATOM 19 CB ASP A 4 -4.808 24.526 -12.058 1.00 0.00 C ATOM 20 CG ASP A 4 -3.604 23.636 -12.300 1.00 0.00 C ATOM 21 OD1 ASP A 4 -3.631 22.468 -11.859 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.635 24.107 -12.932 1.00 0.00 O ATOM 0 HA ASP A 4 -5.490 23.473 -10.314 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.628 24.206 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.563 25.550 -12.341 1.00 0.00 H new ATOM 27 N ILE A 5 -3.775 24.220 -8.711 1.00 0.00 N ATOM 28 CA ILE A 5 -2.728 24.589 -7.776 1.00 0.00 C ATOM 29 C ILE A 5 -1.595 23.566 -7.847 1.00 0.00 C ATOM 30 O ILE A 5 -1.789 22.465 -8.351 1.00 0.00 O ATOM 31 CB ILE A 5 -3.295 24.672 -6.343 1.00 0.00 C ATOM 32 CG1 ILE A 5 -2.175 24.778 -5.312 1.00 0.00 C ATOM 33 CG2 ILE A 5 -4.168 23.460 -6.052 1.00 0.00 C ATOM 34 CD1 ILE A 5 -1.522 23.453 -5.011 1.00 0.00 C ATOM 0 H ILE A 5 -4.181 23.299 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.336 25.570 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.904 25.573 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.419 25.475 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.577 25.196 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.562 23.530 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.995 23.429 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.573 22.552 -6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.734 23.595 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.267 22.761 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.092 23.043 -5.925 1.00 0.00 H new ATOM 46 N ASP A 6 -0.413 23.930 -7.369 1.00 0.00 N ATOM 47 CA ASP A 6 0.731 23.022 -7.412 1.00 0.00 C ATOM 48 C ASP A 6 0.334 21.593 -7.028 1.00 0.00 C ATOM 49 O ASP A 6 0.080 20.766 -7.895 1.00 0.00 O ATOM 50 CB ASP A 6 1.847 23.529 -6.498 1.00 0.00 C ATOM 51 CG ASP A 6 3.102 22.684 -6.597 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.979 21.443 -6.659 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.208 23.265 -6.613 1.00 0.00 O ATOM 0 H ASP A 6 -0.219 24.839 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 6 1.096 22.998 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.085 24.561 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.495 23.533 -5.466 1.00 0.00 H new ATOM 58 N GLU A 7 0.301 21.318 -5.724 1.00 0.00 N ATOM 59 CA GLU A 7 -0.044 19.997 -5.193 1.00 0.00 C ATOM 60 C GLU A 7 1.213 19.179 -4.917 1.00 0.00 C ATOM 61 O GLU A 7 1.395 18.652 -3.819 1.00 0.00 O ATOM 62 CB GLU A 7 -0.949 19.202 -6.139 1.00 0.00 C ATOM 63 CG GLU A 7 -2.262 19.884 -6.495 1.00 0.00 C ATOM 64 CD GLU A 7 -2.442 20.057 -7.992 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.638 19.481 -8.756 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.383 20.768 -8.402 1.00 0.00 O ATOM 0 H GLU A 7 0.513 22.007 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.588 20.175 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.400 19.000 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.170 18.238 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.091 19.298 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.303 20.861 -6.013 1.00 0.00 H new ATOM 73 N CYS A 8 2.071 19.067 -5.925 1.00 0.00 N ATOM 74 CA CYS A 8 3.306 18.301 -5.797 1.00 0.00 C ATOM 75 C CYS A 8 4.259 18.959 -4.806 1.00 0.00 C ATOM 76 O CYS A 8 4.970 18.278 -4.067 1.00 0.00 O ATOM 77 CB CYS A 8 3.986 18.161 -7.161 1.00 0.00 C ATOM 78 SG CYS A 8 5.158 16.769 -7.283 1.00 0.00 S ATOM 0 H CYS A 8 1.934 19.497 -6.840 1.00 0.00 H new ATOM 0 HA CYS A 8 3.051 17.310 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.218 18.041 -7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.516 19.087 -7.385 1.00 0.00 H new ATOM 83 N ARG A 9 4.267 20.286 -4.796 1.00 0.00 N ATOM 84 CA ARG A 9 5.132 21.038 -3.897 1.00 0.00 C ATOM 85 C ARG A 9 4.569 21.039 -2.480 1.00 0.00 C ATOM 86 O ARG A 9 5.313 21.166 -1.507 1.00 0.00 O ATOM 87 CB ARG A 9 5.300 22.474 -4.396 1.00 0.00 C ATOM 88 CG ARG A 9 6.208 23.320 -3.519 1.00 0.00 C ATOM 89 CD ARG A 9 7.138 24.186 -4.353 1.00 0.00 C ATOM 90 NE ARG A 9 7.348 25.500 -3.752 1.00 0.00 N ATOM 91 CZ ARG A 9 6.439 26.470 -3.768 1.00 0.00 C ATOM 92 NH1 ARG A 9 5.266 26.272 -4.352 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.705 27.638 -3.200 1.00 0.00 N ATOM 0 H ARG A 9 3.684 20.864 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 9 6.108 20.554 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.703 22.453 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.320 22.947 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.603 23.954 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.797 22.671 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.098 23.682 -4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.721 24.307 -5.353 1.00 0.00 H new ATOM 0 HE ARG A 9 8.241 25.684 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.059 25.374 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.570 27.017 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.607 27.793 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.007 28.382 -3.213 1.00 0.00 H new ATOM 107 N ILE A 10 3.253 20.889 -2.368 1.00 0.00 N ATOM 108 CA ILE A 10 2.601 20.864 -1.068 1.00 0.00 C ATOM 109 C ILE A 10 3.462 20.116 -0.061 1.00 0.00 C ATOM 110 O ILE A 10 3.523 20.475 1.114 1.00 0.00 O ATOM 111 CB ILE A 10 1.217 20.190 -1.154 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.215 21.126 -1.832 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.725 19.785 0.230 1.00 0.00 C ATOM 114 CD1 ILE A 10 -0.261 22.251 -0.938 1.00 0.00 C ATOM 0 H ILE A 10 2.620 20.783 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 10 2.469 21.896 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 10 1.310 19.286 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.674 21.551 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.647 20.546 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.253 19.312 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.430 19.083 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.646 20.670 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.969 22.875 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.749 21.834 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.592 22.855 -0.628 1.00 0.00 H new ATOM 126 N SER A 11 4.120 19.069 -0.537 1.00 0.00 N ATOM 127 CA SER A 11 4.974 18.256 0.308 1.00 0.00 C ATOM 128 C SER A 11 5.850 17.339 -0.536 1.00 0.00 C ATOM 129 O SER A 11 5.494 16.980 -1.657 1.00 0.00 O ATOM 130 CB SER A 11 4.120 17.427 1.265 1.00 0.00 C ATOM 131 OG SER A 11 4.428 17.725 2.616 1.00 0.00 O ATOM 0 H SER A 11 4.076 18.764 -1.509 1.00 0.00 H new ATOM 0 HA SER A 11 5.622 18.917 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.064 17.624 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.285 16.366 1.077 1.00 0.00 H new ATOM 0 HG SER A 11 3.866 17.182 3.207 1.00 0.00 H new ATOM 137 N PRO A 12 7.009 16.945 0.002 1.00 0.00 N ATOM 138 CA PRO A 12 7.941 16.067 -0.681 1.00 0.00 C ATOM 139 C PRO A 12 7.649 14.606 -0.383 1.00 0.00 C ATOM 140 O PRO A 12 8.077 13.709 -1.110 1.00 0.00 O ATOM 141 CB PRO A 12 9.283 16.477 -0.085 1.00 0.00 C ATOM 142 CG PRO A 12 8.971 16.968 1.296 1.00 0.00 C ATOM 143 CD PRO A 12 7.499 17.320 1.333 1.00 0.00 C ATOM 0 HA PRO A 12 7.894 16.157 -1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.974 15.634 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.756 17.257 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.200 16.201 2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.580 17.839 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.978 16.773 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.348 18.381 1.529 1.00 0.00 H new ATOM 151 N ASP A 13 6.904 14.380 0.692 1.00 0.00 N ATOM 152 CA ASP A 13 6.533 13.033 1.097 1.00 0.00 C ATOM 153 C ASP A 13 5.074 12.769 0.757 1.00 0.00 C ATOM 154 O ASP A 13 4.458 11.844 1.286 1.00 0.00 O ATOM 155 CB ASP A 13 6.766 12.843 2.597 1.00 0.00 C ATOM 156 CG ASP A 13 7.660 11.656 2.897 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.401 11.225 1.988 1.00 0.00 O ATOM 158 OD2 ASP A 13 7.622 11.159 4.042 1.00 0.00 O ATOM 0 H ASP A 13 6.545 15.116 1.300 1.00 0.00 H new ATOM 0 HA ASP A 13 7.157 12.322 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.215 13.746 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.807 12.707 3.097 1.00 0.00 H new ATOM 163 N LEU A 14 4.527 13.597 -0.127 1.00 0.00 N ATOM 164 CA LEU A 14 3.135 13.462 -0.542 1.00 0.00 C ATOM 165 C LEU A 14 2.754 11.996 -0.713 1.00 0.00 C ATOM 166 O LEU A 14 1.793 11.517 -0.111 1.00 0.00 O ATOM 167 CB LEU A 14 2.894 14.214 -1.851 1.00 0.00 C ATOM 168 CG LEU A 14 1.787 15.268 -1.799 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.201 16.515 -2.563 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.490 14.703 -2.359 1.00 0.00 C ATOM 0 H LEU A 14 5.026 14.368 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 14 2.510 13.893 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.823 14.700 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.649 13.490 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 14 1.622 15.544 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.401 17.254 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.105 16.930 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.394 16.257 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.288 15.465 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.643 14.400 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.185 13.839 -1.769 1.00 0.00 H new ATOM 182 N CYS A 15 3.513 11.291 -1.542 1.00 0.00 N ATOM 183 CA CYS A 15 3.262 9.878 -1.804 1.00 0.00 C ATOM 184 C CYS A 15 3.935 8.996 -0.760 1.00 0.00 C ATOM 185 O CYS A 15 4.083 7.790 -0.953 1.00 0.00 O ATOM 186 CB CYS A 15 3.768 9.507 -3.197 1.00 0.00 C ATOM 187 SG CYS A 15 3.909 10.922 -4.334 1.00 0.00 S ATOM 0 H CYS A 15 4.311 11.676 -2.047 1.00 0.00 H new ATOM 0 HA CYS A 15 2.186 9.711 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.744 9.031 -3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.094 8.769 -3.633 1.00 0.00 H new ATOM 192 N GLY A 16 4.346 9.603 0.344 1.00 0.00 N ATOM 193 CA GLY A 16 5.005 8.854 1.397 1.00 0.00 C ATOM 194 C GLY A 16 6.033 7.880 0.856 1.00 0.00 C ATOM 195 O GLY A 16 6.349 6.882 1.502 1.00 0.00 O ATOM 0 H GLY A 16 4.236 10.600 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.491 9.548 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.258 8.307 1.973 1.00 0.00 H new ATOM 199 N ARG A 17 6.552 8.172 -0.335 1.00 0.00 N ATOM 200 CA ARG A 17 7.548 7.318 -0.974 1.00 0.00 C ATOM 201 C ARG A 17 7.660 7.644 -2.459 1.00 0.00 C ATOM 202 O ARG A 17 8.729 8.009 -2.947 1.00 0.00 O ATOM 203 CB ARG A 17 7.185 5.843 -0.792 1.00 0.00 C ATOM 204 CG ARG A 17 7.995 4.901 -1.670 1.00 0.00 C ATOM 205 CD ARG A 17 9.039 4.150 -0.859 1.00 0.00 C ATOM 206 NE ARG A 17 9.290 2.815 -1.394 1.00 0.00 N ATOM 207 CZ ARG A 17 10.141 1.952 -0.848 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.818 2.286 0.243 1.00 0.00 N ATOM 209 NH2 ARG A 17 10.316 0.755 -1.392 1.00 0.00 N ATOM 0 H ARG A 17 6.297 8.997 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 17 8.511 7.506 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.332 5.568 0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.126 5.709 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.328 4.189 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.485 5.469 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.969 4.718 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.705 4.069 0.176 1.00 0.00 H new ATOM 0 HE ARG A 17 8.785 2.529 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.686 3.206 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.471 1.623 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.797 0.495 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.969 0.094 -0.971 1.00 0.00 H new ATOM 223 N GLY A 18 6.547 7.504 -3.171 1.00 0.00 N ATOM 224 CA GLY A 18 6.536 7.781 -4.595 1.00 0.00 C ATOM 225 C GLY A 18 6.937 9.208 -4.915 1.00 0.00 C ATOM 226 O GLY A 18 7.714 9.821 -4.182 1.00 0.00 O ATOM 0 H GLY A 18 5.651 7.203 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.216 7.095 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.538 7.590 -4.991 1.00 0.00 H new ATOM 230 N GLN A 19 6.407 9.737 -6.013 1.00 0.00 N ATOM 231 CA GLN A 19 6.715 11.101 -6.429 1.00 0.00 C ATOM 232 C GLN A 19 5.461 11.822 -6.913 1.00 0.00 C ATOM 233 O GLN A 19 4.885 11.465 -7.941 1.00 0.00 O ATOM 234 CB GLN A 19 7.771 11.093 -7.536 1.00 0.00 C ATOM 235 CG GLN A 19 9.016 10.295 -7.184 1.00 0.00 C ATOM 236 CD GLN A 19 10.293 11.090 -7.383 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.937 11.501 -6.419 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.664 11.310 -8.639 1.00 0.00 N ATOM 0 H GLN A 19 5.763 9.243 -6.630 1.00 0.00 H new ATOM 0 HA GLN A 19 7.108 11.636 -5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.330 10.681 -8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.059 12.120 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.953 9.969 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.053 9.396 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.099 10.950 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.514 11.839 -8.835 1.00 0.00 H new ATOM 247 N CYS A 20 5.042 12.837 -6.164 1.00 0.00 N ATOM 248 CA CYS A 20 3.853 13.607 -6.515 1.00 0.00 C ATOM 249 C CYS A 20 3.935 14.134 -7.945 1.00 0.00 C ATOM 250 O CYS A 20 5.023 14.311 -8.492 1.00 0.00 O ATOM 251 CB CYS A 20 3.670 14.773 -5.541 1.00 0.00 C ATOM 252 SG CYS A 20 5.100 15.900 -5.447 1.00 0.00 S ATOM 0 H CYS A 20 5.508 13.146 -5.311 1.00 0.00 H new ATOM 0 HA CYS A 20 2.993 12.941 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.790 15.344 -5.837 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.471 14.373 -4.547 1.00 0.00 H new ATOM 257 N VAL A 21 2.773 14.387 -8.538 1.00 0.00 N ATOM 258 CA VAL A 21 2.699 14.903 -9.900 1.00 0.00 C ATOM 259 C VAL A 21 1.714 16.064 -9.979 1.00 0.00 C ATOM 260 O VAL A 21 0.903 16.258 -9.078 1.00 0.00 O ATOM 261 CB VAL A 21 2.271 13.808 -10.899 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.819 14.424 -12.218 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.406 12.823 -11.126 1.00 0.00 C ATOM 0 H VAL A 21 1.866 14.242 -8.094 1.00 0.00 H new ATOM 0 HA VAL A 21 3.697 15.249 -10.168 1.00 0.00 H new ATOM 0 HB VAL A 21 1.426 13.267 -10.473 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.522 13.633 -12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.972 15.086 -12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.640 14.994 -12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.087 12.057 -11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.271 13.351 -11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.675 12.354 -10.180 1.00 0.00 H new ATOM 273 N ASN A 22 1.792 16.833 -11.059 1.00 0.00 N ATOM 274 CA ASN A 22 0.905 17.973 -11.243 1.00 0.00 C ATOM 275 C ASN A 22 -0.149 17.699 -12.311 1.00 0.00 C ATOM 276 O ASN A 22 0.130 17.064 -13.328 1.00 0.00 O ATOM 277 CB ASN A 22 1.708 19.215 -11.623 1.00 0.00 C ATOM 278 CG ASN A 22 0.978 20.490 -11.261 1.00 0.00 C ATOM 279 OD1 ASN A 22 1.163 20.941 -10.030 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 0.253 21.058 -12.076 1.00 0.00 N flip ATOM 0 H ASN A 22 2.458 16.688 -11.818 1.00 0.00 H new ATOM 0 HA ASN A 22 0.394 18.145 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.673 19.193 -11.117 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.910 19.203 -12.694 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.141 20.673 -13.014 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.236 21.914 -11.814 1.00 0.00 H new ATOM 287 N THR A 23 -1.359 18.196 -12.071 1.00 0.00 N ATOM 288 CA THR A 23 -2.461 18.022 -13.008 1.00 0.00 C ATOM 289 C THR A 23 -3.458 19.171 -12.888 1.00 0.00 C ATOM 290 O THR A 23 -3.576 19.791 -11.832 1.00 0.00 O ATOM 291 CB THR A 23 -3.199 16.690 -12.774 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.188 16.849 -11.751 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.222 15.593 -12.376 1.00 0.00 C ATOM 0 H THR A 23 -1.600 18.724 -11.232 1.00 0.00 H new ATOM 0 HA THR A 23 -2.030 18.013 -14.009 1.00 0.00 H new ATOM 0 HB THR A 23 -3.685 16.402 -13.706 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.046 17.089 -12.160 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.766 14.662 -12.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.489 15.453 -13.170 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.711 15.877 -11.456 1.00 0.00 H new ATOM 301 N PRO A 24 -4.190 19.466 -13.971 1.00 0.00 N ATOM 302 CA PRO A 24 -5.184 20.543 -13.985 1.00 0.00 C ATOM 303 C PRO A 24 -6.172 20.413 -12.833 1.00 0.00 C ATOM 304 O PRO A 24 -6.915 19.435 -12.748 1.00 0.00 O ATOM 305 CB PRO A 24 -5.901 20.369 -15.334 1.00 0.00 C ATOM 306 CG PRO A 24 -5.473 19.033 -15.847 1.00 0.00 C ATOM 307 CD PRO A 24 -4.117 18.774 -15.261 1.00 0.00 C ATOM 0 HA PRO A 24 -4.725 21.525 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.983 20.413 -15.211 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.626 21.162 -16.029 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.180 18.258 -15.551 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.434 19.029 -16.936 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.925 17.708 -15.139 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.321 19.172 -15.890 1.00 0.00 H new ATOM 315 N GLY A 25 -6.170 21.397 -11.939 1.00 0.00 N ATOM 316 CA GLY A 25 -7.066 21.353 -10.801 1.00 0.00 C ATOM 317 C GLY A 25 -7.052 19.995 -10.134 1.00 0.00 C ATOM 318 O GLY A 25 -8.102 19.422 -9.844 1.00 0.00 O ATOM 0 H GLY A 25 -5.567 22.219 -11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.776 22.117 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.079 21.589 -11.126 1.00 0.00 H new ATOM 322 N ASP A 26 -5.853 19.476 -9.905 1.00 0.00 N ATOM 323 CA ASP A 26 -5.683 18.171 -9.283 1.00 0.00 C ATOM 324 C ASP A 26 -4.221 17.744 -9.339 1.00 0.00 C ATOM 325 O ASP A 26 -3.381 18.457 -9.888 1.00 0.00 O ATOM 326 CB ASP A 26 -6.555 17.133 -9.983 1.00 0.00 C ATOM 327 CG ASP A 26 -7.514 16.446 -9.031 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.356 16.614 -7.804 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.425 15.739 -9.513 1.00 0.00 O ATOM 0 H ASP A 26 -4.978 19.943 -10.143 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.989 18.243 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.122 17.616 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.917 16.385 -10.454 1.00 0.00 H new ATOM 334 N PHE A 27 -3.918 16.586 -8.766 1.00 0.00 N ATOM 335 CA PHE A 27 -2.548 16.088 -8.753 1.00 0.00 C ATOM 336 C PHE A 27 -2.502 14.578 -8.553 1.00 0.00 C ATOM 337 O PHE A 27 -3.467 13.970 -8.090 1.00 0.00 O ATOM 338 CB PHE A 27 -1.760 16.793 -7.651 1.00 0.00 C ATOM 339 CG PHE A 27 -1.925 16.178 -6.293 1.00 0.00 C ATOM 340 CD1 PHE A 27 -1.135 15.116 -5.890 1.00 0.00 C ATOM 341 CD2 PHE A 27 -2.868 16.682 -5.413 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.282 14.567 -4.631 1.00 0.00 C ATOM 343 CE2 PHE A 27 -3.021 16.139 -4.156 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.226 15.079 -3.761 1.00 0.00 C ATOM 0 H PHE A 27 -4.596 15.978 -8.307 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.096 16.303 -9.721 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.702 16.788 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.072 17.836 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.396 14.712 -6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.491 17.511 -5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.660 13.738 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.761 16.541 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.342 14.652 -2.776 1.00 0.00 H new ATOM 354 N GLU A 28 -1.369 13.982 -8.905 1.00 0.00 N ATOM 355 CA GLU A 28 -1.183 12.543 -8.766 1.00 0.00 C ATOM 356 C GLU A 28 0.165 12.235 -8.125 1.00 0.00 C ATOM 357 O GLU A 28 0.864 13.139 -7.668 1.00 0.00 O ATOM 358 CB GLU A 28 -1.283 11.857 -10.131 1.00 0.00 C ATOM 359 CG GLU A 28 -0.688 12.672 -11.268 1.00 0.00 C ATOM 360 CD GLU A 28 -1.571 12.684 -12.500 1.00 0.00 C ATOM 361 OE1 GLU A 28 -2.777 12.385 -12.369 1.00 0.00 O ATOM 362 OE2 GLU A 28 -1.057 12.992 -13.597 1.00 0.00 O ATOM 0 H GLU A 28 -0.563 14.475 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.972 12.158 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.776 10.893 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.331 11.654 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.527 13.696 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.289 12.265 -11.529 1.00 0.00 H new ATOM 369 N CYS A 29 0.524 10.957 -8.088 1.00 0.00 N ATOM 370 CA CYS A 29 1.788 10.542 -7.495 1.00 0.00 C ATOM 371 C CYS A 29 2.439 9.425 -8.302 1.00 0.00 C ATOM 372 O CYS A 29 1.772 8.722 -9.062 1.00 0.00 O ATOM 373 CB CYS A 29 1.566 10.083 -6.055 1.00 0.00 C ATOM 374 SG CYS A 29 1.982 11.341 -4.806 1.00 0.00 S ATOM 0 H CYS A 29 -0.040 10.193 -8.460 1.00 0.00 H new ATOM 0 HA CYS A 29 2.460 11.400 -7.502 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.522 9.795 -5.933 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.166 9.191 -5.872 1.00 0.00 H new ATOM 379 N LYS A 30 3.748 9.265 -8.128 1.00 0.00 N ATOM 380 CA LYS A 30 4.497 8.232 -8.834 1.00 0.00 C ATOM 381 C LYS A 30 5.002 7.175 -7.859 1.00 0.00 C ATOM 382 O LYS A 30 6.182 7.143 -7.513 1.00 0.00 O ATOM 383 CB LYS A 30 5.675 8.850 -9.588 1.00 0.00 C ATOM 384 CG LYS A 30 6.256 7.939 -10.658 1.00 0.00 C ATOM 385 CD LYS A 30 6.693 6.605 -10.077 1.00 0.00 C ATOM 386 CE LYS A 30 7.443 5.770 -11.101 1.00 0.00 C ATOM 387 NZ LYS A 30 6.682 5.634 -12.374 1.00 0.00 N ATOM 0 H LYS A 30 4.312 9.840 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 30 3.828 7.756 -9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.351 9.781 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.459 9.105 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.513 7.771 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.108 8.428 -11.130 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.330 6.776 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.819 6.055 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.411 6.229 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.639 4.780 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.103 4.878 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.691 5.398 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.720 6.531 -12.899 1.00 0.00 H new ATOM 401 N CYS A 31 4.094 6.314 -7.415 1.00 0.00 N ATOM 402 CA CYS A 31 4.435 5.255 -6.474 1.00 0.00 C ATOM 403 C CYS A 31 5.715 4.537 -6.887 1.00 0.00 C ATOM 404 O CYS A 31 6.090 4.536 -8.059 1.00 0.00 O ATOM 405 CB CYS A 31 3.283 4.255 -6.370 1.00 0.00 C ATOM 406 SG CYS A 31 1.764 4.950 -5.646 1.00 0.00 S ATOM 0 H CYS A 31 3.113 6.329 -7.693 1.00 0.00 H new ATOM 0 HA CYS A 31 4.605 5.712 -5.499 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.057 3.872 -7.365 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.605 3.406 -5.767 1.00 0.00 H new ATOM 411 N ASP A 32 6.383 3.932 -5.910 1.00 0.00 N ATOM 412 CA ASP A 32 7.624 3.210 -6.160 1.00 0.00 C ATOM 413 C ASP A 32 7.421 2.110 -7.196 1.00 0.00 C ATOM 414 O ASP A 32 7.727 2.290 -8.375 1.00 0.00 O ATOM 415 CB ASP A 32 8.157 2.609 -4.857 1.00 0.00 C ATOM 416 CG ASP A 32 9.440 1.830 -5.062 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.414 2.415 -5.584 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.474 0.635 -4.701 1.00 0.00 O ATOM 0 H ASP A 32 6.084 3.928 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 32 8.353 3.919 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.332 3.408 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.401 1.952 -4.427 1.00 0.00 H new ATOM 423 N GLU A 33 6.906 0.973 -6.748 1.00 0.00 N ATOM 424 CA GLU A 33 6.664 -0.160 -7.634 1.00 0.00 C ATOM 425 C GLU A 33 5.411 -0.922 -7.218 1.00 0.00 C ATOM 426 O GLU A 33 4.627 -1.357 -8.062 1.00 0.00 O ATOM 427 CB GLU A 33 7.871 -1.100 -7.631 1.00 0.00 C ATOM 428 CG GLU A 33 9.206 -0.376 -7.668 1.00 0.00 C ATOM 429 CD GLU A 33 10.300 -1.200 -8.317 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.588 -2.306 -7.814 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.868 -0.740 -9.330 1.00 0.00 O ATOM 0 H GLU A 33 6.647 0.810 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 33 6.512 0.226 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.831 -1.726 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.804 -1.766 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.091 0.561 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.504 -0.120 -6.651 1.00 0.00 H new ATOM 438 N GLY A 34 5.230 -1.080 -5.912 1.00 0.00 N ATOM 439 CA GLY A 34 4.072 -1.789 -5.403 1.00 0.00 C ATOM 440 C GLY A 34 3.287 -0.968 -4.403 1.00 0.00 C ATOM 441 O GLY A 34 2.490 -1.512 -3.644 1.00 0.00 O ATOM 0 H GLY A 34 5.866 -0.729 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.422 -2.062 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.396 -2.718 -4.933 1.00 0.00 H new ATOM 445 N TYR A 35 3.519 0.342 -4.400 1.00 0.00 N ATOM 446 CA TYR A 35 2.831 1.245 -3.482 1.00 0.00 C ATOM 447 C TYR A 35 1.531 1.762 -4.094 1.00 0.00 C ATOM 448 O TYR A 35 1.362 1.755 -5.314 1.00 0.00 O ATOM 449 CB TYR A 35 3.742 2.419 -3.116 1.00 0.00 C ATOM 450 CG TYR A 35 4.865 2.045 -2.172 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.333 0.739 -2.098 1.00 0.00 C ATOM 452 CD2 TYR A 35 5.455 3.000 -1.351 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.356 0.395 -1.235 1.00 0.00 C ATOM 454 CE2 TYR A 35 6.479 2.663 -0.486 1.00 0.00 C ATOM 455 CZ TYR A 35 6.926 1.360 -0.432 1.00 0.00 C ATOM 456 OH TYR A 35 7.944 1.021 0.429 1.00 0.00 O ATOM 0 H TYR A 35 4.180 0.803 -5.025 1.00 0.00 H new ATOM 0 HA TYR A 35 2.585 0.688 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.169 2.834 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.141 3.205 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.890 -0.020 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.107 4.022 -1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.707 -0.625 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.927 3.417 0.145 1.00 0.00 H new ATOM 0 HH TYR A 35 8.299 0.141 0.185 1.00 0.00 H new ATOM 466 N GLU A 36 0.613 2.207 -3.239 1.00 0.00 N ATOM 467 CA GLU A 36 -0.673 2.724 -3.696 1.00 0.00 C ATOM 468 C GLU A 36 -0.890 4.160 -3.223 1.00 0.00 C ATOM 469 O GLU A 36 -0.827 4.444 -2.026 1.00 0.00 O ATOM 470 CB GLU A 36 -1.812 1.820 -3.204 1.00 0.00 C ATOM 471 CG GLU A 36 -2.559 2.355 -1.990 1.00 0.00 C ATOM 472 CD GLU A 36 -3.768 1.514 -1.631 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.839 1.723 -2.239 1.00 0.00 O ATOM 474 OE2 GLU A 36 -3.645 0.647 -0.740 1.00 0.00 O ATOM 0 H GLU A 36 0.736 2.220 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.670 2.727 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.522 1.675 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.402 0.840 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.880 2.391 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.879 3.378 -2.187 1.00 0.00 H new ATOM 481 N SER A 37 -1.153 5.056 -4.166 1.00 0.00 N ATOM 482 CA SER A 37 -1.386 6.454 -3.848 1.00 0.00 C ATOM 483 C SER A 37 -2.860 6.699 -3.556 1.00 0.00 C ATOM 484 O SER A 37 -3.689 6.724 -4.466 1.00 0.00 O ATOM 485 CB SER A 37 -0.923 7.348 -4.999 1.00 0.00 C ATOM 486 OG SER A 37 -0.013 8.334 -4.546 1.00 0.00 O ATOM 0 H SER A 37 -1.210 4.835 -5.160 1.00 0.00 H new ATOM 0 HA SER A 37 -0.809 6.702 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.450 6.739 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.786 7.829 -5.459 1.00 0.00 H new ATOM 0 HG SER A 37 0.821 7.904 -4.262 1.00 0.00 H new ATOM 492 N GLY A 38 -3.181 6.877 -2.281 1.00 0.00 N ATOM 493 CA GLY A 38 -4.555 7.114 -1.889 1.00 0.00 C ATOM 494 C GLY A 38 -5.162 5.928 -1.167 1.00 0.00 C ATOM 495 O GLY A 38 -6.034 5.245 -1.703 1.00 0.00 O ATOM 0 H GLY A 38 -2.512 6.861 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.600 7.991 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.149 7.340 -2.775 1.00 0.00 H new ATOM 499 N PHE A 39 -4.692 5.681 0.049 1.00 0.00 N ATOM 500 CA PHE A 39 -5.186 4.566 0.851 1.00 0.00 C ATOM 501 C PHE A 39 -6.121 5.055 1.952 1.00 0.00 C ATOM 502 O PHE A 39 -6.851 4.269 2.557 1.00 0.00 O ATOM 503 CB PHE A 39 -4.012 3.806 1.467 1.00 0.00 C ATOM 504 CG PHE A 39 -4.432 2.668 2.353 1.00 0.00 C ATOM 505 CD1 PHE A 39 -4.900 1.484 1.807 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.358 2.783 3.732 1.00 0.00 C ATOM 507 CE1 PHE A 39 -5.287 0.434 2.621 1.00 0.00 C ATOM 508 CE2 PHE A 39 -4.742 1.738 4.550 1.00 0.00 C ATOM 509 CZ PHE A 39 -5.208 0.563 3.994 1.00 0.00 C ATOM 0 H PHE A 39 -3.968 6.238 0.503 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.747 3.899 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.381 3.419 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.403 4.501 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.964 1.379 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.996 3.700 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.650 -0.484 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.678 1.840 5.623 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.510 -0.254 4.632 1.00 0.00 H new ATOM 519 N MET A 40 -6.090 6.356 2.204 1.00 0.00 N ATOM 520 CA MET A 40 -6.928 6.963 3.231 1.00 0.00 C ATOM 521 C MET A 40 -6.481 8.395 3.496 1.00 0.00 C ATOM 522 O MET A 40 -7.286 9.254 3.857 1.00 0.00 O ATOM 523 CB MET A 40 -6.867 6.146 4.524 1.00 0.00 C ATOM 524 CG MET A 40 -5.481 5.606 4.836 1.00 0.00 C ATOM 525 SD MET A 40 -4.691 6.470 6.207 1.00 0.00 S ATOM 526 CE MET A 40 -4.818 5.239 7.502 1.00 0.00 C ATOM 0 H MET A 40 -5.490 7.016 1.709 1.00 0.00 H new ATOM 0 HA MET A 40 -7.958 6.974 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.201 6.769 5.354 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.565 5.312 4.451 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.554 4.545 5.074 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.854 5.691 3.948 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.371 5.627 8.418 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.868 5.006 7.681 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.292 4.334 7.197 1.00 0.00 H new ATOM 536 N MET A 41 -5.190 8.642 3.302 1.00 0.00 N ATOM 537 CA MET A 41 -4.624 9.969 3.505 1.00 0.00 C ATOM 538 C MET A 41 -4.997 10.890 2.350 1.00 0.00 C ATOM 539 O MET A 41 -4.871 12.109 2.456 1.00 0.00 O ATOM 540 CB MET A 41 -3.104 9.879 3.622 1.00 0.00 C ATOM 541 CG MET A 41 -2.630 8.803 4.585 1.00 0.00 C ATOM 542 SD MET A 41 -3.058 9.167 6.298 1.00 0.00 S ATOM 543 CE MET A 41 -1.523 9.874 6.888 1.00 0.00 C ATOM 0 H MET A 41 -4.515 7.938 3.004 1.00 0.00 H new ATOM 0 HA MET A 41 -5.031 10.380 4.429 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.683 9.683 2.636 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.715 10.844 3.948 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.069 7.847 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.549 8.695 4.500 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.629 10.151 7.937 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.722 9.142 6.785 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.282 10.761 6.302 1.00 0.00 H new ATOM 553 N MET A 42 -5.444 10.281 1.250 1.00 0.00 N ATOM 554 CA MET A 42 -5.841 11.004 0.042 1.00 0.00 C ATOM 555 C MET A 42 -4.719 10.982 -0.986 1.00 0.00 C ATOM 556 O MET A 42 -4.936 11.274 -2.162 1.00 0.00 O ATOM 557 CB MET A 42 -6.240 12.447 0.354 1.00 0.00 C ATOM 558 CG MET A 42 -7.291 12.567 1.447 1.00 0.00 C ATOM 559 SD MET A 42 -8.574 13.768 1.045 1.00 0.00 S ATOM 560 CE MET A 42 -7.601 15.260 0.865 1.00 0.00 C ATOM 0 H MET A 42 -5.541 9.269 1.173 1.00 0.00 H new ATOM 0 HA MET A 42 -6.713 10.497 -0.371 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.352 13.004 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.618 12.915 -0.555 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.750 11.592 1.613 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.808 12.855 2.381 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.266 16.117 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.976 15.395 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.968 15.177 -0.019 1.00 0.00 H new ATOM 570 N LYS A 43 -3.524 10.622 -0.535 1.00 0.00 N ATOM 571 CA LYS A 43 -2.366 10.549 -1.413 1.00 0.00 C ATOM 572 C LYS A 43 -1.095 10.284 -0.615 1.00 0.00 C ATOM 573 O LYS A 43 -0.512 11.195 -0.028 1.00 0.00 O ATOM 574 CB LYS A 43 -2.225 11.837 -2.226 1.00 0.00 C ATOM 575 CG LYS A 43 -2.575 11.663 -3.696 1.00 0.00 C ATOM 576 CD LYS A 43 -1.691 10.621 -4.357 1.00 0.00 C ATOM 577 CE LYS A 43 -2.265 10.168 -5.690 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.037 11.251 -6.358 1.00 0.00 N ATOM 0 H LYS A 43 -3.332 10.376 0.436 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.517 9.718 -2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.869 12.603 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.200 12.200 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.620 11.368 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.465 12.616 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.694 11.033 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.583 9.762 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.455 9.844 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.912 9.305 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.223 10.986 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.940 11.391 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.488 12.134 -6.334 1.00 0.00 H new ATOM 592 N ASN A 44 -0.676 9.024 -0.602 1.00 0.00 N ATOM 593 CA ASN A 44 0.523 8.611 0.117 1.00 0.00 C ATOM 594 C ASN A 44 0.918 7.190 -0.281 1.00 0.00 C ATOM 595 O ASN A 44 0.748 6.245 0.487 1.00 0.00 O ATOM 596 CB ASN A 44 0.306 8.714 1.633 1.00 0.00 C ATOM 597 CG ASN A 44 -0.558 7.597 2.201 1.00 0.00 C ATOM 598 OD1 ASN A 44 -1.381 6.981 1.359 1.00 0.00 O flip ATOM 599 ND2 ASN A 44 -0.484 7.291 3.391 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.154 8.264 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 44 1.339 9.282 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.275 8.702 2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.159 9.673 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.160 7.788 4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.067 6.541 3.762 1.00 0.00 H new ATOM 606 N CYS A 45 1.436 7.056 -1.501 1.00 0.00 N ATOM 607 CA CYS A 45 1.851 5.760 -2.034 1.00 0.00 C ATOM 608 C CYS A 45 2.285 4.807 -0.926 1.00 0.00 C ATOM 609 O CYS A 45 3.336 4.987 -0.309 1.00 0.00 O ATOM 610 CB CYS A 45 2.977 5.942 -3.049 1.00 0.00 C ATOM 611 SG CYS A 45 2.418 6.598 -4.655 1.00 0.00 S ATOM 0 H CYS A 45 1.579 7.836 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 45 0.989 5.315 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.725 6.616 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.468 4.982 -3.210 1.00 0.00 H new ATOM 616 N MET A 46 1.461 3.794 -0.678 1.00 0.00 N ATOM 617 CA MET A 46 1.744 2.804 0.355 1.00 0.00 C ATOM 618 C MET A 46 1.390 1.400 -0.131 1.00 0.00 C ATOM 619 O MET A 46 0.217 1.095 -0.350 1.00 0.00 O ATOM 620 CB MET A 46 0.961 3.131 1.628 1.00 0.00 C ATOM 621 CG MET A 46 -0.530 3.309 1.396 1.00 0.00 C ATOM 622 SD MET A 46 -1.504 3.010 2.885 1.00 0.00 S ATOM 623 CE MET A 46 -1.663 1.227 2.833 1.00 0.00 C ATOM 0 H MET A 46 0.588 3.637 -1.181 1.00 0.00 H new ATOM 0 HA MET A 46 2.811 2.834 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.114 2.333 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.363 4.044 2.068 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.720 4.321 1.039 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.856 2.627 0.610 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.243 0.888 3.692 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.171 0.934 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.673 0.772 2.862 1.00 0.00 H new ATOM 633 N ASP A 47 2.422 0.567 -0.297 1.00 0.00 N ATOM 634 CA ASP A 47 2.274 -0.819 -0.762 1.00 0.00 C ATOM 635 C ASP A 47 0.820 -1.200 -1.035 1.00 0.00 C ATOM 636 O ASP A 47 0.028 -1.390 -0.111 1.00 0.00 O ATOM 637 CB ASP A 47 2.885 -1.784 0.251 1.00 0.00 C ATOM 638 CG ASP A 47 1.973 -2.039 1.435 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.818 -1.125 2.273 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.414 -3.152 1.525 1.00 0.00 O ATOM 0 H ASP A 47 3.389 0.835 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 47 2.807 -0.892 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.107 -2.730 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.833 -1.380 0.607 1.00 0.00 H new ATOM 645 N ILE A 48 0.484 -1.309 -2.314 1.00 0.00 N ATOM 646 CA ILE A 48 -0.864 -1.668 -2.738 1.00 0.00 C ATOM 647 C ILE A 48 -1.308 -2.994 -2.136 1.00 0.00 C ATOM 648 O ILE A 48 -0.592 -3.599 -1.338 1.00 0.00 O ATOM 649 CB ILE A 48 -0.948 -1.770 -4.272 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.302 -2.459 -4.822 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.112 -0.389 -4.892 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.000 -3.560 -5.814 1.00 0.00 C ATOM 0 H ILE A 48 1.135 -1.152 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.526 -0.878 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.821 -2.367 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.936 -1.713 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.872 -2.876 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.169 -0.482 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.027 0.071 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.258 0.233 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.933 -4.003 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.608 -4.326 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.543 -3.146 -6.663 1.00 0.00 H new ATOM 664 N ASP A 49 -2.493 -3.441 -2.536 1.00 0.00 N ATOM 665 CA ASP A 49 -3.041 -4.699 -2.049 1.00 0.00 C ATOM 666 C ASP A 49 -2.711 -5.831 -3.013 1.00 0.00 C ATOM 667 O ASP A 49 -3.564 -6.279 -3.776 1.00 0.00 O ATOM 668 CB ASP A 49 -4.558 -4.590 -1.875 1.00 0.00 C ATOM 669 CG ASP A 49 -5.144 -5.785 -1.152 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.495 -6.853 -1.147 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.252 -5.655 -0.590 1.00 0.00 O ATOM 0 H ASP A 49 -3.093 -2.949 -3.198 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.590 -4.917 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.793 -3.682 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.027 -4.495 -2.854 1.00 0.00 H new ATOM 676 N GLU A 50 -1.464 -6.284 -2.974 1.00 0.00 N ATOM 677 CA GLU A 50 -1.012 -7.359 -3.845 1.00 0.00 C ATOM 678 C GLU A 50 -1.970 -8.546 -3.797 1.00 0.00 C ATOM 679 O GLU A 50 -2.008 -9.362 -4.717 1.00 0.00 O ATOM 680 CB GLU A 50 0.387 -7.805 -3.433 1.00 0.00 C ATOM 681 CG GLU A 50 1.495 -6.933 -4.003 1.00 0.00 C ATOM 682 CD GLU A 50 2.137 -6.048 -2.952 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.469 -6.563 -1.864 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.304 -4.839 -3.216 1.00 0.00 O ATOM 0 H GLU A 50 -0.747 -5.922 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.988 -6.982 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.455 -7.800 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.542 -8.834 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.258 -7.568 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.089 -6.309 -4.799 1.00 0.00 H new ATOM 691 N CYS A 51 -2.742 -8.634 -2.720 1.00 0.00 N ATOM 692 CA CYS A 51 -3.703 -9.719 -2.555 1.00 0.00 C ATOM 693 C CYS A 51 -4.948 -9.469 -3.398 1.00 0.00 C ATOM 694 O CYS A 51 -5.790 -10.352 -3.562 1.00 0.00 O ATOM 695 CB CYS A 51 -4.092 -9.868 -1.084 1.00 0.00 C ATOM 696 SG CYS A 51 -5.223 -11.259 -0.753 1.00 0.00 S ATOM 0 H CYS A 51 -2.722 -7.968 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.233 -10.643 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.187 -10.000 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.561 -8.944 -0.748 1.00 0.00 H new ATOM 701 N GLN A 52 -5.053 -8.258 -3.928 1.00 0.00 N ATOM 702 CA GLN A 52 -6.186 -7.876 -4.758 1.00 0.00 C ATOM 703 C GLN A 52 -5.741 -7.674 -6.199 1.00 0.00 C ATOM 704 O GLN A 52 -6.538 -7.781 -7.132 1.00 0.00 O ATOM 705 CB GLN A 52 -6.816 -6.591 -4.221 1.00 0.00 C ATOM 706 CG GLN A 52 -7.978 -6.840 -3.276 1.00 0.00 C ATOM 707 CD GLN A 52 -8.928 -5.662 -3.195 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.320 -5.136 -4.350 1.00 0.00 O flip ATOM 709 NE2 GLN A 52 -9.306 -5.228 -2.106 1.00 0.00 N flip ATOM 0 H GLN A 52 -4.362 -7.519 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.927 -8.675 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.053 -6.010 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.162 -5.986 -5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.527 -7.722 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.591 -7.059 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.980 -5.663 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.945 -4.434 -2.067 1.00 0.00 H new ATOM 718 N ARG A 53 -4.458 -7.384 -6.367 1.00 0.00 N ATOM 719 CA ARG A 53 -3.883 -7.165 -7.687 1.00 0.00 C ATOM 720 C ARG A 53 -4.092 -8.385 -8.579 1.00 0.00 C ATOM 721 O ARG A 53 -4.037 -8.288 -9.805 1.00 0.00 O ATOM 722 CB ARG A 53 -2.391 -6.854 -7.563 1.00 0.00 C ATOM 723 CG ARG A 53 -1.637 -6.954 -8.878 1.00 0.00 C ATOM 724 CD ARG A 53 -0.800 -8.221 -8.943 1.00 0.00 C ATOM 725 NE ARG A 53 -0.592 -8.669 -10.317 1.00 0.00 N ATOM 726 CZ ARG A 53 0.455 -9.390 -10.705 1.00 0.00 C ATOM 727 NH1 ARG A 53 1.383 -9.742 -9.826 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.576 -9.760 -11.973 1.00 0.00 N ATOM 0 H ARG A 53 -3.792 -7.295 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.388 -6.315 -8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.270 -5.848 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.944 -7.541 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.345 -6.941 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.992 -6.083 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.166 -8.042 -8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.292 -9.010 -8.375 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.288 -8.415 -11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.294 -9.460 -8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.186 -10.295 -10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.135 -9.491 -12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.380 -10.313 -12.268 1.00 0.00 H new ATOM 742 N ASP A 54 -4.331 -9.535 -7.954 1.00 0.00 N ATOM 743 CA ASP A 54 -4.549 -10.774 -8.690 1.00 0.00 C ATOM 744 C ASP A 54 -5.772 -11.514 -8.159 1.00 0.00 C ATOM 745 O ASP A 54 -6.032 -11.526 -6.955 1.00 0.00 O ATOM 746 CB ASP A 54 -3.314 -11.672 -8.598 1.00 0.00 C ATOM 747 CG ASP A 54 -2.667 -11.907 -9.949 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.101 -12.836 -10.662 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.727 -11.161 -10.294 1.00 0.00 O ATOM 0 H ASP A 54 -4.378 -9.633 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.726 -10.520 -9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.587 -11.218 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.597 -12.630 -8.162 1.00 0.00 H new ATOM 754 N PRO A 55 -6.541 -12.142 -9.060 1.00 0.00 N ATOM 755 CA PRO A 55 -7.745 -12.887 -8.696 1.00 0.00 C ATOM 756 C PRO A 55 -7.430 -14.301 -8.218 1.00 0.00 C ATOM 757 O PRO A 55 -8.319 -15.029 -7.774 1.00 0.00 O ATOM 758 CB PRO A 55 -8.522 -12.927 -10.009 1.00 0.00 C ATOM 759 CG PRO A 55 -7.470 -12.933 -11.067 1.00 0.00 C ATOM 760 CD PRO A 55 -6.294 -12.168 -10.511 1.00 0.00 C ATOM 0 HA PRO A 55 -8.286 -12.426 -7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.152 -13.815 -10.071 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.179 -12.063 -10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.183 -13.953 -11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.838 -12.467 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.350 -12.660 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.241 -11.161 -10.925 1.00 0.00 H new ATOM 768 N LEU A 56 -6.162 -14.683 -8.310 1.00 0.00 N ATOM 769 CA LEU A 56 -5.727 -16.005 -7.887 1.00 0.00 C ATOM 770 C LEU A 56 -4.638 -15.903 -6.823 1.00 0.00 C ATOM 771 O LEU A 56 -4.243 -16.903 -6.223 1.00 0.00 O ATOM 772 CB LEU A 56 -5.214 -16.799 -9.087 1.00 0.00 C ATOM 773 CG LEU A 56 -5.937 -18.121 -9.338 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.923 -17.979 -10.487 1.00 0.00 C ATOM 775 CD2 LEU A 56 -4.934 -19.224 -9.625 1.00 0.00 C ATOM 0 H LEU A 56 -5.415 -14.092 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.582 -16.525 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.301 -16.179 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.153 -17.003 -8.943 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.495 -18.388 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.429 -18.930 -10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.660 -17.214 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.388 -17.691 -11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.463 -20.160 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.351 -18.964 -10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.267 -19.340 -8.771 1.00 0.00 H new ATOM 787 N LEU A 57 -4.157 -14.686 -6.594 1.00 0.00 N ATOM 788 CA LEU A 57 -3.118 -14.451 -5.599 1.00 0.00 C ATOM 789 C LEU A 57 -3.522 -15.032 -4.252 1.00 0.00 C ATOM 790 O LEU A 57 -4.483 -14.579 -3.631 1.00 0.00 O ATOM 791 CB LEU A 57 -2.847 -12.953 -5.461 1.00 0.00 C ATOM 792 CG LEU A 57 -1.463 -12.593 -4.919 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.834 -11.494 -5.759 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.557 -12.166 -3.461 1.00 0.00 C ATOM 0 H LEU A 57 -4.470 -13.848 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.207 -14.948 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.971 -12.485 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.602 -12.522 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.827 -13.477 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.150 -11.249 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.733 -11.836 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.467 -10.607 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.563 -11.913 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.207 -11.295 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.968 -12.983 -2.868 1.00 0.00 H new ATOM 806 N CYS A 58 -2.785 -16.043 -3.806 1.00 0.00 N ATOM 807 CA CYS A 58 -3.074 -16.689 -2.534 1.00 0.00 C ATOM 808 C CYS A 58 -4.495 -17.238 -2.526 1.00 0.00 C ATOM 809 O CYS A 58 -5.048 -17.550 -1.472 1.00 0.00 O ATOM 810 CB CYS A 58 -2.876 -15.701 -1.383 1.00 0.00 C ATOM 811 SG CYS A 58 -1.160 -15.113 -1.213 1.00 0.00 S ATOM 0 H CYS A 58 -1.985 -16.431 -4.306 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.383 -17.522 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.532 -14.844 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.182 -16.176 -0.451 1.00 0.00 H new ATOM 816 N ARG A 59 -5.075 -17.358 -3.716 1.00 0.00 N ATOM 817 CA ARG A 59 -6.428 -17.876 -3.861 1.00 0.00 C ATOM 818 C ARG A 59 -6.635 -19.084 -2.955 1.00 0.00 C ATOM 819 O ARG A 59 -7.749 -19.364 -2.516 1.00 0.00 O ATOM 820 CB ARG A 59 -6.686 -18.259 -5.319 1.00 0.00 C ATOM 821 CG ARG A 59 -8.158 -18.307 -5.688 1.00 0.00 C ATOM 822 CD ARG A 59 -8.529 -19.636 -6.322 1.00 0.00 C ATOM 823 NE ARG A 59 -8.993 -19.475 -7.698 1.00 0.00 N ATOM 824 CZ ARG A 59 -8.877 -20.415 -8.630 1.00 0.00 C ATOM 825 NH1 ARG A 59 -8.322 -21.582 -8.334 1.00 0.00 N ATOM 826 NH2 ARG A 59 -9.320 -20.190 -9.860 1.00 0.00 N ATOM 0 H ARG A 59 -4.626 -17.102 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.134 -17.099 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.181 -17.543 -5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.240 -19.235 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.763 -18.147 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.388 -17.496 -6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.664 -20.299 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.309 -20.115 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.431 -18.591 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.983 -21.760 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.234 -22.302 -9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.750 -19.295 -10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.230 -20.912 -10.574 1.00 0.00 H new ATOM 840 N GLY A 60 -5.545 -19.789 -2.678 1.00 0.00 N ATOM 841 CA GLY A 60 -5.609 -20.957 -1.821 1.00 0.00 C ATOM 842 C GLY A 60 -4.514 -20.956 -0.775 1.00 0.00 C ATOM 843 O GLY A 60 -4.058 -22.013 -0.341 1.00 0.00 O ATOM 0 H GLY A 60 -4.614 -19.571 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.581 -20.992 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.528 -21.858 -2.430 1.00 0.00 H new ATOM 847 N GLY A 61 -4.087 -19.761 -0.373 1.00 0.00 N ATOM 848 CA GLY A 61 -3.037 -19.646 0.621 1.00 0.00 C ATOM 849 C GLY A 61 -3.255 -18.492 1.581 1.00 0.00 C ATOM 850 O GLY A 61 -4.349 -18.319 2.117 1.00 0.00 O ATOM 0 H GLY A 61 -4.450 -18.872 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.976 -20.576 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.079 -19.516 0.117 1.00 0.00 H new ATOM 854 N VAL A 62 -2.204 -17.707 1.805 1.00 0.00 N ATOM 855 CA VAL A 62 -2.275 -16.569 2.713 1.00 0.00 C ATOM 856 C VAL A 62 -1.670 -15.326 2.075 1.00 0.00 C ATOM 857 O VAL A 62 -0.609 -15.389 1.453 1.00 0.00 O ATOM 858 CB VAL A 62 -1.541 -16.860 4.036 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.387 -15.588 4.855 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.275 -17.930 4.830 1.00 0.00 C ATOM 0 H VAL A 62 -1.292 -17.840 1.368 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.330 -16.394 2.923 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.544 -17.234 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.866 -15.815 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.812 -14.857 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.372 -15.179 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.742 -18.122 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.285 -17.588 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.325 -18.848 4.244 1.00 0.00 H new ATOM 870 N CYS A 63 -2.352 -14.199 2.232 1.00 0.00 N ATOM 871 CA CYS A 63 -1.888 -12.938 1.668 1.00 0.00 C ATOM 872 C CYS A 63 -1.053 -12.155 2.673 1.00 0.00 C ATOM 873 O CYS A 63 -1.580 -11.340 3.430 1.00 0.00 O ATOM 874 CB CYS A 63 -3.077 -12.090 1.218 1.00 0.00 C ATOM 875 SG CYS A 63 -3.982 -12.770 -0.209 1.00 0.00 S ATOM 0 H CYS A 63 -3.230 -14.132 2.746 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.261 -13.171 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.768 -11.981 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.722 -11.091 0.966 1.00 0.00 H new ATOM 880 N HIS A 64 0.253 -12.393 2.665 1.00 0.00 N ATOM 881 CA HIS A 64 1.157 -11.692 3.567 1.00 0.00 C ATOM 882 C HIS A 64 1.644 -10.400 2.919 1.00 0.00 C ATOM 883 O HIS A 64 2.837 -10.104 2.911 1.00 0.00 O ATOM 884 CB HIS A 64 2.348 -12.578 3.929 1.00 0.00 C ATOM 885 CG HIS A 64 1.957 -13.905 4.502 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.345 -15.108 3.950 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.207 -14.215 5.586 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.850 -16.100 4.669 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.157 -15.585 5.668 1.00 0.00 N ATOM 0 H HIS A 64 0.708 -13.064 2.046 1.00 0.00 H new ATOM 0 HA HIS A 64 0.615 -11.450 4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.953 -12.741 3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.976 -12.052 4.648 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.924 -15.215 3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.736 -13.515 6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.989 -17.153 4.473 1.00 0.00 H new ATOM 898 N ASN A 65 0.700 -9.640 2.370 1.00 0.00 N ATOM 899 CA ASN A 65 1.013 -8.379 1.706 1.00 0.00 C ATOM 900 C ASN A 65 1.999 -7.553 2.524 1.00 0.00 C ATOM 901 O ASN A 65 1.693 -7.119 3.634 1.00 0.00 O ATOM 902 CB ASN A 65 -0.268 -7.578 1.469 1.00 0.00 C ATOM 903 CG ASN A 65 0.006 -6.208 0.881 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.889 -5.485 1.345 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.752 -5.843 -0.146 1.00 0.00 N ATOM 0 H ASN A 65 -0.292 -9.877 2.372 1.00 0.00 H new ATOM 0 HA ASN A 65 1.477 -8.610 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.922 -8.134 0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.802 -7.465 2.412 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.614 -4.932 -0.583 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.472 -6.474 -0.498 1.00 0.00 H new ATOM 912 N THR A 66 3.182 -7.334 1.959 1.00 0.00 N ATOM 913 CA THR A 66 4.218 -6.553 2.626 1.00 0.00 C ATOM 914 C THR A 66 4.518 -5.273 1.854 1.00 0.00 C ATOM 915 O THR A 66 3.725 -4.842 1.015 1.00 0.00 O ATOM 916 CB THR A 66 5.519 -7.363 2.782 1.00 0.00 C ATOM 917 OG1 THR A 66 6.298 -7.275 1.583 1.00 0.00 O ATOM 918 CG2 THR A 66 5.215 -8.823 3.088 1.00 0.00 C ATOM 0 H THR A 66 3.447 -7.687 1.040 1.00 0.00 H new ATOM 0 HA THR A 66 3.838 -6.299 3.615 1.00 0.00 H new ATOM 0 HB THR A 66 6.084 -6.943 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.702 -7.267 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.149 -9.375 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.647 -8.890 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.631 -9.251 2.274 1.00 0.00 H new ATOM 926 N GLU A 67 5.666 -4.669 2.142 1.00 0.00 N ATOM 927 CA GLU A 67 6.069 -3.437 1.475 1.00 0.00 C ATOM 928 C GLU A 67 6.556 -3.719 0.056 1.00 0.00 C ATOM 929 O GLU A 67 7.311 -4.663 -0.174 1.00 0.00 O ATOM 930 CB GLU A 67 7.171 -2.736 2.272 1.00 0.00 C ATOM 931 CG GLU A 67 6.666 -1.578 3.117 1.00 0.00 C ATOM 932 CD GLU A 67 7.381 -1.474 4.451 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.616 -1.284 4.450 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.706 -1.584 5.496 1.00 0.00 O ATOM 0 H GLU A 67 6.333 -5.013 2.833 1.00 0.00 H new ATOM 0 HA GLU A 67 5.198 -2.784 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.658 -3.464 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.929 -2.368 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.796 -0.647 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.597 -1.699 3.291 1.00 0.00 H new ATOM 941 N GLY A 68 6.118 -2.893 -0.890 1.00 0.00 N ATOM 942 CA GLY A 68 6.519 -3.069 -2.273 1.00 0.00 C ATOM 943 C GLY A 68 6.652 -4.529 -2.656 1.00 0.00 C ATOM 944 O GLY A 68 7.550 -4.903 -3.411 1.00 0.00 O ATOM 0 H GLY A 68 5.492 -2.105 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.787 -2.591 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.471 -2.565 -2.439 1.00 0.00 H new ATOM 948 N SER A 69 5.754 -5.356 -2.134 1.00 0.00 N ATOM 949 CA SER A 69 5.770 -6.785 -2.421 1.00 0.00 C ATOM 950 C SER A 69 4.824 -7.533 -1.489 1.00 0.00 C ATOM 951 O SER A 69 4.329 -6.972 -0.512 1.00 0.00 O ATOM 952 CB SER A 69 7.189 -7.339 -2.278 1.00 0.00 C ATOM 953 OG SER A 69 7.583 -8.039 -3.446 1.00 0.00 O ATOM 0 H SER A 69 5.004 -5.061 -1.509 1.00 0.00 H new ATOM 0 HA SER A 69 5.433 -6.930 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.885 -6.522 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.238 -8.006 -1.417 1.00 0.00 H new ATOM 0 HG SER A 69 8.494 -8.382 -3.330 1.00 0.00 H new ATOM 959 N TYR A 70 4.575 -8.802 -1.797 1.00 0.00 N ATOM 960 CA TYR A 70 3.685 -9.621 -0.984 1.00 0.00 C ATOM 961 C TYR A 70 4.215 -11.042 -0.854 1.00 0.00 C ATOM 962 O TYR A 70 4.884 -11.552 -1.753 1.00 0.00 O ATOM 963 CB TYR A 70 2.279 -9.632 -1.584 1.00 0.00 C ATOM 964 CG TYR A 70 2.119 -10.565 -2.761 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.567 -10.202 -4.025 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.512 -11.805 -2.612 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.418 -11.049 -5.106 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.358 -12.658 -3.689 1.00 0.00 C ATOM 969 CZ TYR A 70 1.813 -12.276 -4.933 1.00 0.00 C ATOM 970 OH TYR A 70 1.661 -13.122 -6.007 1.00 0.00 O ATOM 0 H TYR A 70 4.976 -9.284 -2.602 1.00 0.00 H new ATOM 0 HA TYR A 70 3.640 -9.184 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.567 -9.916 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.021 -8.620 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.040 -9.241 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.154 -12.108 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.773 -10.752 -6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.883 -13.619 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 70 1.442 -14.022 -5.686 1.00 0.00 H new ATOM 980 N ARG A 71 3.913 -11.678 0.274 1.00 0.00 N ATOM 981 CA ARG A 71 4.362 -13.042 0.520 1.00 0.00 C ATOM 982 C ARG A 71 3.185 -14.009 0.521 1.00 0.00 C ATOM 983 O ARG A 71 2.393 -14.043 1.463 1.00 0.00 O ATOM 984 CB ARG A 71 5.115 -13.130 1.849 1.00 0.00 C ATOM 985 CG ARG A 71 5.484 -11.776 2.431 1.00 0.00 C ATOM 986 CD ARG A 71 6.535 -11.074 1.585 1.00 0.00 C ATOM 987 NE ARG A 71 7.815 -10.966 2.280 1.00 0.00 N ATOM 988 CZ ARG A 71 8.755 -11.905 2.244 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.557 -13.019 1.552 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.893 -11.731 2.900 1.00 0.00 N ATOM 0 H ARG A 71 3.361 -11.271 1.029 1.00 0.00 H new ATOM 0 HA ARG A 71 5.040 -13.323 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.501 -13.670 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.024 -13.713 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.593 -11.152 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.859 -11.905 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.674 -11.621 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.181 -10.078 1.321 1.00 0.00 H new ATOM 0 HE ARG A 71 7.998 -10.123 2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.682 -13.156 1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.280 -13.738 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.048 -10.876 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.614 -12.452 2.872 1.00 0.00 H new ATOM 1004 N CYS A 72 3.077 -14.791 -0.546 1.00 0.00 N ATOM 1005 CA CYS A 72 1.999 -15.760 -0.681 1.00 0.00 C ATOM 1006 C CYS A 72 2.407 -17.107 -0.094 1.00 0.00 C ATOM 1007 O CYS A 72 3.505 -17.603 -0.353 1.00 0.00 O ATOM 1008 CB CYS A 72 1.623 -15.909 -2.153 1.00 0.00 C ATOM 1009 SG CYS A 72 -0.119 -16.353 -2.437 1.00 0.00 S ATOM 0 H CYS A 72 3.726 -14.772 -1.333 1.00 0.00 H new ATOM 0 HA CYS A 72 1.132 -15.401 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.836 -14.972 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.259 -16.671 -2.603 1.00 0.00 H new ATOM 1014 N GLU A 73 1.523 -17.687 0.711 1.00 0.00 N ATOM 1015 CA GLU A 73 1.796 -18.968 1.352 1.00 0.00 C ATOM 1016 C GLU A 73 0.522 -19.800 1.487 1.00 0.00 C ATOM 1017 O GLU A 73 -0.483 -19.327 2.006 1.00 0.00 O ATOM 1018 CB GLU A 73 2.404 -18.725 2.733 1.00 0.00 C ATOM 1019 CG GLU A 73 3.548 -19.665 3.076 1.00 0.00 C ATOM 1020 CD GLU A 73 4.049 -19.481 4.495 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.680 -18.469 5.128 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.810 -20.349 4.974 1.00 0.00 O ATOM 0 H GLU A 73 0.611 -17.290 0.935 1.00 0.00 H new ATOM 0 HA GLU A 73 2.498 -19.523 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.763 -17.697 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.623 -18.829 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.219 -20.696 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.370 -19.499 2.380 1.00 0.00 H new ATOM 1029 N CYS A 74 0.577 -21.045 1.021 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.576 -21.936 1.092 1.00 0.00 C ATOM 1031 C CYS A 74 -1.167 -21.980 2.504 1.00 0.00 C ATOM 1032 O CYS A 74 -2.384 -21.921 2.672 1.00 0.00 O ATOM 1033 CB CYS A 74 -0.202 -23.344 0.627 1.00 0.00 C ATOM 1034 SG CYS A 74 -1.092 -23.893 -0.866 1.00 0.00 S ATOM 0 H CYS A 74 1.405 -21.458 0.592 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.339 -21.538 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.870 -23.378 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.401 -24.047 1.435 1.00 0.00 H new ATOM 1039 N PRO A 75 -0.314 -22.108 3.545 1.00 0.00 N ATOM 1040 CA PRO A 75 1.149 -22.182 3.397 1.00 0.00 C ATOM 1041 C PRO A 75 1.636 -23.542 2.873 1.00 0.00 C ATOM 1042 O PRO A 75 2.294 -23.616 1.835 1.00 0.00 O ATOM 1043 CB PRO A 75 1.687 -21.926 4.820 1.00 0.00 C ATOM 1044 CG PRO A 75 0.486 -21.586 5.651 1.00 0.00 C ATOM 1045 CD PRO A 75 -0.718 -22.141 4.950 1.00 0.00 C ATOM 0 HA PRO A 75 1.503 -21.460 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.197 -22.807 5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.410 -21.111 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.578 -22.012 6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.396 -20.506 5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.949 -23.153 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.607 -21.536 5.130 1.00 0.00 H new ATOM 1053 N PRO A 76 1.364 -24.649 3.603 1.00 0.00 N ATOM 1054 CA PRO A 76 1.814 -25.988 3.215 1.00 0.00 C ATOM 1055 C PRO A 76 0.878 -26.686 2.237 1.00 0.00 C ATOM 1056 O PRO A 76 0.115 -26.044 1.516 1.00 0.00 O ATOM 1057 CB PRO A 76 1.844 -26.764 4.539 1.00 0.00 C ATOM 1058 CG PRO A 76 1.267 -25.859 5.582 1.00 0.00 C ATOM 1059 CD PRO A 76 0.633 -24.694 4.871 1.00 0.00 C ATOM 0 HA PRO A 76 2.773 -25.935 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.264 -27.684 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.864 -27.050 4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.528 -26.389 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.045 -25.515 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.435 -24.847 4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.744 -23.768 5.435 1.00 0.00 H new ATOM 1067 N GLY A 77 0.947 -28.016 2.218 1.00 0.00 N ATOM 1068 CA GLY A 77 0.108 -28.791 1.329 1.00 0.00 C ATOM 1069 C GLY A 77 0.115 -28.241 -0.079 1.00 0.00 C ATOM 1070 O GLY A 77 -0.912 -28.239 -0.759 1.00 0.00 O ATOM 0 H GLY A 77 1.572 -28.568 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.452 -29.825 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.913 -28.799 1.710 1.00 0.00 H new ATOM 1074 N HIS A 78 1.275 -27.762 -0.517 1.00 0.00 N ATOM 1075 CA HIS A 78 1.403 -27.197 -1.851 1.00 0.00 C ATOM 1076 C HIS A 78 2.634 -26.306 -1.960 1.00 0.00 C ATOM 1077 O HIS A 78 3.508 -26.320 -1.093 1.00 0.00 O ATOM 1078 CB HIS A 78 0.159 -26.379 -2.187 1.00 0.00 C ATOM 1079 CG HIS A 78 -0.700 -26.999 -3.241 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -1.155 -26.303 -4.338 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -1.179 -28.259 -3.370 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -1.876 -27.106 -5.098 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.907 -28.299 -4.534 1.00 0.00 N ATOM 0 H HIS A 78 2.135 -27.755 0.031 1.00 0.00 H new ATOM 0 HA HIS A 78 1.510 -28.022 -2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.432 -26.245 -1.281 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.466 -25.387 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.019 -29.079 -2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.359 -26.833 -6.025 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.392 -29.117 -4.902 1.00 0.00 H new ATOM 1092 N GLN A 79 2.679 -25.522 -3.030 1.00 0.00 N ATOM 1093 CA GLN A 79 3.784 -24.602 -3.268 1.00 0.00 C ATOM 1094 C GLN A 79 3.241 -23.265 -3.755 1.00 0.00 C ATOM 1095 O GLN A 79 3.122 -23.036 -4.959 1.00 0.00 O ATOM 1096 CB GLN A 79 4.755 -25.184 -4.296 1.00 0.00 C ATOM 1097 CG GLN A 79 5.853 -24.217 -4.711 1.00 0.00 C ATOM 1098 CD GLN A 79 6.372 -24.491 -6.109 1.00 0.00 C ATOM 1099 OE1 GLN A 79 7.580 -24.570 -6.330 1.00 0.00 O ATOM 1100 NE2 GLN A 79 5.459 -24.636 -7.062 1.00 0.00 N ATOM 0 H GLN A 79 1.958 -25.505 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 79 4.325 -24.451 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.211 -26.084 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.196 -25.487 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.472 -23.197 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.678 -24.283 -4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.468 -24.563 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.749 -24.821 -8.022 1.00 0.00 H new ATOM 1109 N LEU A 80 2.885 -22.397 -2.815 1.00 0.00 N ATOM 1110 CA LEU A 80 2.326 -21.099 -3.161 1.00 0.00 C ATOM 1111 C LEU A 80 3.337 -20.218 -3.877 1.00 0.00 C ATOM 1112 O LEU A 80 4.426 -19.951 -3.370 1.00 0.00 O ATOM 1113 CB LEU A 80 1.781 -20.385 -1.920 1.00 0.00 C ATOM 1114 CG LEU A 80 0.935 -19.133 -2.194 1.00 0.00 C ATOM 1115 CD1 LEU A 80 0.469 -19.077 -3.644 1.00 0.00 C ATOM 1116 CD2 LEU A 80 -0.260 -19.087 -1.257 1.00 0.00 C ATOM 0 H LEU A 80 2.973 -22.568 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 80 1.500 -21.282 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.177 -21.092 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.622 -20.102 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 80 1.565 -18.262 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.127 -18.178 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.336 -19.057 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.136 -19.956 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.850 -18.194 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.877 -19.973 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.088 -19.061 -0.224 1.00 0.00 H new ATOM 1128 N SER A 81 2.950 -19.764 -5.062 1.00 0.00 N ATOM 1129 CA SER A 81 3.792 -18.902 -5.875 1.00 0.00 C ATOM 1130 C SER A 81 4.254 -17.686 -5.079 1.00 0.00 C ATOM 1131 O SER A 81 3.437 -16.925 -4.560 1.00 0.00 O ATOM 1132 CB SER A 81 3.021 -18.450 -7.114 1.00 0.00 C ATOM 1133 OG SER A 81 1.686 -18.925 -7.085 1.00 0.00 O ATOM 0 H SER A 81 2.047 -19.983 -5.484 1.00 0.00 H new ATOM 0 HA SER A 81 4.673 -19.466 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.022 -17.361 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.521 -18.816 -8.011 1.00 0.00 H new ATOM 0 HG SER A 81 1.668 -19.866 -7.357 1.00 0.00 H new ATOM 1139 N PRO A 82 5.575 -17.487 -4.977 1.00 0.00 N ATOM 1140 CA PRO A 82 6.148 -16.356 -4.243 1.00 0.00 C ATOM 1141 C PRO A 82 5.556 -15.026 -4.690 1.00 0.00 C ATOM 1142 O PRO A 82 5.208 -14.181 -3.866 1.00 0.00 O ATOM 1143 CB PRO A 82 7.637 -16.425 -4.588 1.00 0.00 C ATOM 1144 CG PRO A 82 7.881 -17.854 -4.934 1.00 0.00 C ATOM 1145 CD PRO A 82 6.612 -18.349 -5.570 1.00 0.00 C ATOM 0 HA PRO A 82 5.945 -16.415 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.880 -15.768 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.253 -16.111 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.724 -17.951 -5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.124 -18.435 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.642 -18.253 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.435 -19.401 -5.348 1.00 0.00 H new ATOM 1153 N ASN A 83 5.441 -14.849 -6.001 1.00 0.00 N ATOM 1154 CA ASN A 83 4.887 -13.622 -6.561 1.00 0.00 C ATOM 1155 C ASN A 83 4.093 -13.914 -7.832 1.00 0.00 C ATOM 1156 O ASN A 83 3.758 -13.002 -8.588 1.00 0.00 O ATOM 1157 CB ASN A 83 6.005 -12.621 -6.860 1.00 0.00 C ATOM 1158 CG ASN A 83 6.535 -11.954 -5.604 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.746 -11.861 -5.402 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.628 -11.488 -4.753 1.00 0.00 N ATOM 0 H ASN A 83 5.724 -15.540 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 83 4.211 -13.189 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.822 -13.134 -7.368 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.633 -11.858 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.925 -11.031 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.635 -11.587 -4.962 1.00 0.00 H new ATOM 1167 N ILE A 84 3.792 -15.189 -8.059 1.00 0.00 N ATOM 1168 CA ILE A 84 3.035 -15.595 -9.237 1.00 0.00 C ATOM 1169 C ILE A 84 1.537 -15.586 -8.946 1.00 0.00 C ATOM 1170 O ILE A 84 0.716 -15.515 -9.861 1.00 0.00 O ATOM 1171 CB ILE A 84 3.451 -16.996 -9.727 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.878 -17.324 -9.272 1.00 0.00 C ATOM 1173 CG2 ILE A 84 3.342 -17.077 -11.242 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.846 -16.175 -9.428 1.00 0.00 C ATOM 0 H ILE A 84 4.060 -15.957 -7.444 1.00 0.00 H new ATOM 0 HA ILE A 84 3.257 -14.874 -10.023 1.00 0.00 H new ATOM 0 HB ILE A 84 2.776 -17.732 -9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.855 -17.628 -8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.245 -18.176 -9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.639 -18.071 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.312 -16.885 -11.543 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.997 -16.332 -11.694 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.834 -16.483 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.900 -15.884 -10.477 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.504 -15.328 -8.834 1.00 0.00 H new ATOM 1186 N SER A 85 1.192 -15.641 -7.662 1.00 0.00 N ATOM 1187 CA SER A 85 -0.206 -15.621 -7.236 1.00 0.00 C ATOM 1188 C SER A 85 -0.963 -16.864 -7.699 1.00 0.00 C ATOM 1189 O SER A 85 -1.338 -16.961 -8.866 1.00 0.00 O ATOM 1190 CB SER A 85 -0.900 -14.364 -7.768 1.00 0.00 C ATOM 1191 OG SER A 85 -0.033 -13.604 -8.592 1.00 0.00 O ATOM 0 H SER A 85 1.863 -15.700 -6.896 1.00 0.00 H new ATOM 0 HA SER A 85 -0.215 -15.613 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.787 -14.648 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.239 -13.752 -6.932 1.00 0.00 H new ATOM 0 HG SER A 85 -0.060 -13.955 -9.507 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.192 -17.796 -6.758 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.922 -19.049 -7.016 1.00 0.00 C ATOM 1199 C ALA A 86 -1.119 -20.264 -6.553 1.00 0.00 C ATOM 1200 O ALA A 86 -0.135 -20.642 -7.189 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.273 -19.205 -8.489 1.00 0.00 C ATOM 0 H ALA A 86 -0.875 -17.701 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.848 -18.994 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.811 -20.141 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.902 -18.372 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.358 -19.214 -9.082 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.539 -20.881 -5.447 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.843 -22.052 -4.926 1.00 0.00 C ATOM 1209 C CYS A 87 -0.933 -23.227 -5.894 1.00 0.00 C ATOM 1210 O CYS A 87 -1.979 -23.475 -6.493 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.391 -22.459 -3.553 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.093 -22.977 -2.378 1.00 0.00 S ATOM 0 H CYS A 87 -2.350 -20.591 -4.901 1.00 0.00 H new ATOM 0 HA CYS A 87 0.206 -21.778 -4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.942 -21.621 -3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.101 -23.276 -3.681 1.00 0.00 H new ATOM 1217 N ILE A 88 0.177 -23.944 -6.039 1.00 0.00 N ATOM 1218 CA ILE A 88 0.240 -25.093 -6.934 1.00 0.00 C ATOM 1219 C ILE A 88 0.740 -26.334 -6.202 1.00 0.00 C ATOM 1220 O ILE A 88 0.254 -27.441 -6.516 1.00 0.00 O ATOM 1221 CB ILE A 88 1.163 -24.816 -8.133 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.101 -23.338 -8.520 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.779 -25.698 -9.310 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.972 -22.987 -9.707 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.615 -26.189 -5.323 1.00 0.00 O ATOM 0 H ILE A 88 1.048 -23.748 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.773 -25.270 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 88 2.188 -25.053 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.068 -23.073 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.405 -22.734 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.441 -25.491 -10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.872 -26.746 -9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.251 -25.490 -9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.878 -21.923 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.012 -23.220 -9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.654 -23.565 -10.575 1.00 0.00 H new