USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 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 75 GLN : amide:sc= -0.425 X(o=-1.1,f=-0.7) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -120:sc= -0.626 (180deg=-2.42!) USER MOD Set 2.1: A 70 HIS : no HD1:sc= -3.95! C(o=-7.2!,f=-7!) USER MOD Set 2.2: A 73 HIS : no HE2:sc= -3.18! C(o=-7.2!,f=-7.4!) USER MOD Set 2.3: A 84 CYS SG : rot 180:sc= -0.105 USER MOD Set 3.1: A 46 THR OG1 : rot -38:sc= -1.89! USER MOD Set 3.2: A 60 CYS SG : rot 92:sc= -5.73! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.0276 X(o=-0.06,f=-0.055) USER MOD Set 4.2: A 49 CYS SG : rot 90:sc= -0.0323 USER MOD Set 4.3: A 57 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 26 CYS SG : rot 180:sc= 1.02 USER MOD Set 5.2: A 31 CYS SG : rot 180:sc= 0.0194 USER MOD Set 5.3: A 40 LYS NZ :NH3+ 174:sc= 2.45 (180deg=0.896) USER MOD Set 6.1: A 22 HIS :FLIP no HD1:sc= 0.835 F(o=-4,f=-0.87) USER MOD Set 6.2: A 36 CYS SG : rot -109:sc= -1.7 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.278 USER MOD Single : A 14 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.8!) USER MOD Single : A 18 GLN : amide:sc=-0.00403 K(o=-0.004,f=-0.94) USER MOD Single : A 19 SER OG : rot 90:sc= -0.495! USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 30 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.1) USER MOD Single : A 32 SER OG : rot 45:sc= 0.32 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= -1.18! (180deg=-1.27!) USER MOD Single : A 39 MET CE :methyl -174:sc= -7.05 (180deg=-7.31!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0573 F(o=-1.2!,f=-0.057) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc=-0.00324 (180deg=-0.156) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= -0.578 (180deg=-0.621) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00709 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0418) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.42) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -1:sc= -3.13! USER MOD Single : A 86 ASN : amide:sc= -0.491 K(o=-0.49,f=-2.1!) USER MOD Single : B 12 SER OG : rot 11:sc= 0.769 USER MOD Single : B 18 GLN : amide:sc= 0.476 X(o=0.48,f=0) USER MOD Single : B 21 THR OG1 : rot -14:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 76 N ASP A 7 11.902 -12.325 1.488 1.00 0.00 N ATOM 77 CA ASP A 7 11.396 -12.341 0.176 1.00 0.00 C ATOM 78 C ASP A 7 9.918 -12.471 0.450 1.00 0.00 C ATOM 79 O ASP A 7 9.121 -11.791 -0.081 1.00 0.00 O ATOM 80 CB ASP A 7 11.882 -13.572 -0.527 1.00 0.00 C ATOM 81 CG ASP A 7 11.575 -13.702 -2.003 1.00 0.00 C ATOM 82 OD1 ASP A 7 10.519 -14.253 -2.359 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.433 -13.321 -2.840 1.00 0.00 O ATOM 0 HA ASP A 7 11.678 -11.487 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.964 -13.625 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.460 -14.439 -0.018 1.00 0.00 H new ATOM 88 N SER A 8 9.598 -13.247 1.414 1.00 0.00 N ATOM 89 CA SER A 8 8.290 -13.311 1.748 1.00 0.00 C ATOM 90 C SER A 8 7.766 -12.005 2.484 1.00 0.00 C ATOM 91 O SER A 8 6.670 -11.610 2.206 1.00 0.00 O ATOM 92 CB SER A 8 7.846 -14.640 2.340 1.00 0.00 C ATOM 93 OG SER A 8 8.662 -15.011 3.444 1.00 0.00 O ATOM 0 H SER A 8 10.236 -13.826 1.959 1.00 0.00 H new ATOM 0 HA SER A 8 7.749 -13.305 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.807 -14.569 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.891 -15.415 1.575 1.00 0.00 H new ATOM 0 HG SER A 8 8.353 -15.868 3.806 1.00 0.00 H new ATOM 99 N ARG A 9 8.585 -11.309 3.390 1.00 0.00 N ATOM 100 CA ARG A 9 8.152 -10.056 3.950 1.00 0.00 C ATOM 101 C ARG A 9 7.981 -9.044 2.801 1.00 0.00 C ATOM 102 O ARG A 9 6.906 -8.506 2.584 1.00 0.00 O ATOM 103 CB ARG A 9 9.235 -9.496 4.863 1.00 0.00 C ATOM 104 CG ARG A 9 8.787 -8.410 5.741 1.00 0.00 C ATOM 105 CD ARG A 9 7.752 -8.888 6.745 1.00 0.00 C ATOM 106 NE ARG A 9 8.257 -9.980 7.579 1.00 0.00 N ATOM 107 CZ ARG A 9 7.564 -11.071 7.923 1.00 0.00 C ATOM 108 NH1 ARG A 9 6.337 -11.274 7.439 1.00 0.00 N ATOM 109 NH2 ARG A 9 8.109 -11.968 8.738 1.00 0.00 N ATOM 0 H ARG A 9 9.503 -11.626 3.702 1.00 0.00 H new ATOM 0 HA ARG A 9 7.225 -10.214 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.628 -10.305 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.059 -9.133 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.644 -7.995 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.365 -7.606 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.453 -8.055 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.860 -9.220 6.215 1.00 0.00 H new ATOM 0 HE ARG A 9 9.213 -9.903 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.921 -10.595 6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.815 -12.109 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.052 -11.823 9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.584 -12.802 9.003 1.00 0.00 H new ATOM 123 N ARG A 10 9.068 -8.859 2.039 1.00 0.00 N ATOM 124 CA ARG A 10 9.172 -7.886 0.977 1.00 0.00 C ATOM 125 C ARG A 10 8.160 -8.106 -0.040 1.00 0.00 C ATOM 126 O ARG A 10 7.469 -7.222 -0.359 1.00 0.00 O ATOM 127 CB ARG A 10 10.416 -8.065 0.265 1.00 0.00 C ATOM 128 CG ARG A 10 10.790 -7.006 -0.648 1.00 0.00 C ATOM 129 CD ARG A 10 12.006 -7.475 -1.337 1.00 0.00 C ATOM 130 NE ARG A 10 12.527 -6.585 -2.394 1.00 0.00 N ATOM 131 CZ ARG A 10 12.560 -6.898 -3.708 1.00 0.00 C ATOM 132 NH1 ARG A 10 11.795 -7.870 -4.177 1.00 0.00 N ATOM 133 NH2 ARG A 10 13.285 -6.175 -4.553 1.00 0.00 N ATOM 0 H ARG A 10 9.919 -9.408 2.160 1.00 0.00 H new ATOM 0 HA ARG A 10 9.077 -6.908 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.215 -8.184 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.357 -8.997 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.990 -6.805 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.980 -6.077 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.789 -7.622 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.798 -8.450 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 10 12.886 -5.673 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.180 -8.384 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.821 -8.106 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.822 -5.378 -4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.305 -6.417 -5.544 1.00 0.00 H new ATOM 147 N LEU A 11 8.097 -9.323 -0.565 1.00 0.00 N ATOM 148 CA LEU A 11 7.214 -9.627 -1.638 1.00 0.00 C ATOM 149 C LEU A 11 5.852 -9.537 -1.245 1.00 0.00 C ATOM 150 O LEU A 11 5.005 -9.209 -2.027 1.00 0.00 O ATOM 151 CB LEU A 11 7.526 -10.887 -2.385 1.00 0.00 C ATOM 152 CG LEU A 11 8.799 -10.773 -3.263 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.098 -10.912 -2.572 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.695 -11.444 -4.599 1.00 0.00 C ATOM 0 H LEU A 11 8.662 -10.111 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 11 7.394 -8.845 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.655 -11.702 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.677 -11.147 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 11 8.819 -9.711 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.907 -10.813 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.192 -10.135 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.154 -11.891 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.629 -11.314 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.502 -12.507 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.878 -10.999 -5.167 1.00 0.00 H new ATOM 166 N SER A 12 5.632 -9.737 -0.025 1.00 0.00 N ATOM 167 CA SER A 12 4.345 -9.579 0.451 1.00 0.00 C ATOM 168 C SER A 12 3.969 -8.040 0.529 1.00 0.00 C ATOM 169 O SER A 12 2.875 -7.656 0.113 1.00 0.00 O ATOM 170 CB SER A 12 4.134 -10.359 1.722 1.00 0.00 C ATOM 171 OG SER A 12 2.776 -10.444 2.040 1.00 0.00 O ATOM 0 H SER A 12 6.331 -10.012 0.665 1.00 0.00 H new ATOM 0 HA SER A 12 3.634 -10.012 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.548 -11.361 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.673 -9.881 2.540 1.00 0.00 H new ATOM 0 HG SER A 12 2.665 -10.956 2.868 1.00 0.00 H new ATOM 177 N ILE A 13 4.915 -7.169 0.978 1.00 0.00 N ATOM 178 CA ILE A 13 4.667 -5.661 0.960 1.00 0.00 C ATOM 179 C ILE A 13 4.748 -5.116 -0.403 1.00 0.00 C ATOM 180 O ILE A 13 4.098 -4.186 -0.711 1.00 0.00 O ATOM 181 CB ILE A 13 5.573 -4.725 1.741 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.558 -5.427 2.479 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.759 -3.775 2.623 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.520 -4.538 3.119 1.00 0.00 C ATOM 0 H ILE A 13 5.825 -7.448 1.346 1.00 0.00 H new ATOM 0 HA ILE A 13 3.689 -5.661 1.442 1.00 0.00 H new ATOM 0 HB ILE A 13 6.112 -4.114 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.071 -6.037 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.087 -6.110 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.435 -3.117 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.097 -3.176 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.165 -4.354 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.251 -5.129 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.031 -3.947 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.999 -3.872 3.807 1.00 0.00 H new ATOM 196 N GLN A 14 5.659 -5.602 -1.164 1.00 0.00 N ATOM 197 CA GLN A 14 5.736 -5.322 -2.575 1.00 0.00 C ATOM 198 C GLN A 14 4.354 -5.468 -3.209 1.00 0.00 C ATOM 199 O GLN A 14 3.942 -4.648 -3.968 1.00 0.00 O ATOM 200 CB GLN A 14 6.668 -6.331 -3.146 1.00 0.00 C ATOM 201 CG GLN A 14 6.931 -6.255 -4.557 1.00 0.00 C ATOM 202 CD GLN A 14 7.989 -7.266 -4.943 1.00 0.00 C ATOM 203 OE1 GLN A 14 8.871 -7.593 -4.149 1.00 0.00 O ATOM 204 NE2 GLN A 14 7.914 -7.765 -6.123 1.00 0.00 N ATOM 0 H GLN A 14 6.396 -6.222 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 14 6.084 -4.306 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.619 -6.249 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.268 -7.322 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.015 -6.444 -5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.263 -5.251 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.169 -7.471 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.599 -8.456 -6.429 1.00 0.00 H new ATOM 213 N ARG A 15 3.681 -6.522 -2.863 1.00 0.00 N ATOM 214 CA ARG A 15 2.303 -6.783 -3.296 1.00 0.00 C ATOM 215 C ARG A 15 1.318 -5.904 -2.650 1.00 0.00 C ATOM 216 O ARG A 15 0.298 -5.599 -3.210 1.00 0.00 O ATOM 217 CB ARG A 15 1.962 -8.134 -2.967 1.00 0.00 C ATOM 218 CG ARG A 15 2.786 -9.063 -3.810 1.00 0.00 C ATOM 219 CD ARG A 15 2.320 -10.459 -3.629 1.00 0.00 C ATOM 220 NE ARG A 15 2.398 -10.869 -2.209 1.00 0.00 N ATOM 221 CZ ARG A 15 1.931 -12.022 -1.691 1.00 0.00 C ATOM 222 NH1 ARG A 15 1.448 -12.972 -2.485 1.00 0.00 N ATOM 223 NH2 ARG A 15 1.954 -12.225 -0.373 1.00 0.00 N ATOM 0 H ARG A 15 4.063 -7.251 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 15 2.269 -6.596 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.146 -8.322 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.900 -8.308 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.710 -8.779 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.837 -8.983 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.292 -10.551 -3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.926 -11.130 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 15 2.846 -10.219 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.429 -12.831 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.097 -13.842 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.326 -11.506 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.599 -13.099 0.015 1.00 0.00 H new ATOM 237 N ALA A 16 1.638 -5.530 -1.488 1.00 0.00 N ATOM 238 CA ALA A 16 0.884 -4.666 -0.672 1.00 0.00 C ATOM 239 C ALA A 16 0.913 -3.327 -1.305 1.00 0.00 C ATOM 240 O ALA A 16 -0.098 -2.755 -1.538 1.00 0.00 O ATOM 241 CB ALA A 16 1.474 -4.724 0.722 1.00 0.00 C ATOM 0 H ALA A 16 2.500 -5.839 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.165 -4.946 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.912 -4.064 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.420 -5.746 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.516 -4.404 0.690 1.00 0.00 H new ATOM 247 N ILE A 17 2.087 -2.899 -1.658 1.00 0.00 N ATOM 248 CA ILE A 17 2.294 -1.733 -2.431 1.00 0.00 C ATOM 249 C ILE A 17 1.741 -1.867 -3.817 1.00 0.00 C ATOM 250 O ILE A 17 1.088 -1.036 -4.224 1.00 0.00 O ATOM 251 CB ILE A 17 3.733 -1.403 -2.572 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.316 -0.951 -1.322 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.906 -0.372 -3.585 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.734 -0.794 -1.403 1.00 0.00 C ATOM 0 H ILE A 17 2.952 -3.376 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 17 1.774 -0.943 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 17 4.248 -2.316 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.864 -0.001 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.078 -1.666 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.965 -0.134 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.524 -0.733 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.359 0.523 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.118 -0.454 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.192 -1.749 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.975 -0.058 -2.170 1.00 0.00 H new ATOM 266 N GLN A 18 2.079 -2.908 -4.554 1.00 0.00 N ATOM 267 CA GLN A 18 1.579 -3.065 -5.921 1.00 0.00 C ATOM 268 C GLN A 18 0.103 -3.075 -5.923 1.00 0.00 C ATOM 269 O GLN A 18 -0.501 -2.542 -6.827 1.00 0.00 O ATOM 270 CB GLN A 18 2.086 -4.331 -6.586 1.00 0.00 C ATOM 271 CG GLN A 18 3.563 -4.294 -6.987 1.00 0.00 C ATOM 272 CD GLN A 18 3.980 -5.501 -7.810 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.167 -6.084 -8.536 1.00 0.00 O ATOM 274 NE2 GLN A 18 5.237 -5.862 -7.750 1.00 0.00 N ATOM 0 H GLN A 18 2.694 -3.658 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 18 1.954 -2.216 -6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.928 -5.170 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.486 -4.523 -7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.757 -3.386 -7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.178 -4.243 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.883 -5.360 -7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.570 -6.645 -8.313 1.00 0.00 H new ATOM 283 N SER A 19 -0.486 -3.654 -4.910 1.00 0.00 N ATOM 284 CA SER A 19 -1.888 -3.576 -4.812 1.00 0.00 C ATOM 285 C SER A 19 -2.289 -2.232 -4.463 1.00 0.00 C ATOM 286 O SER A 19 -3.151 -1.711 -5.076 1.00 0.00 O ATOM 287 CB SER A 19 -2.474 -4.568 -3.894 1.00 0.00 C ATOM 288 OG SER A 19 -2.201 -5.861 -4.368 1.00 0.00 O ATOM 0 H SER A 19 -0.016 -4.169 -4.166 1.00 0.00 H new ATOM 0 HA SER A 19 -2.285 -3.825 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.062 -4.441 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.551 -4.417 -3.817 1.00 0.00 H new ATOM 0 HG SER A 19 -1.353 -6.175 -3.991 1.00 0.00 H new ATOM 294 N LEU A 20 -1.621 -1.664 -3.528 1.00 0.00 N ATOM 295 CA LEU A 20 -1.874 -0.384 -3.097 1.00 0.00 C ATOM 296 C LEU A 20 -1.726 0.671 -4.198 1.00 0.00 C ATOM 297 O LEU A 20 -2.549 1.540 -4.337 1.00 0.00 O ATOM 298 CB LEU A 20 -0.978 -0.048 -1.999 1.00 0.00 C ATOM 299 CG LEU A 20 -1.374 1.072 -1.372 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.302 0.698 -0.290 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.254 1.899 -1.045 1.00 0.00 C ATOM 0 H LEU A 20 -0.853 -2.119 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.915 -0.370 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.945 -0.873 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.034 0.085 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.955 1.733 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.634 1.596 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.165 0.183 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.794 0.038 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.602 2.799 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.423 1.352 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.272 2.177 -1.958 1.00 0.00 H new ATOM 313 N VAL A 21 -0.664 0.572 -4.928 1.00 0.00 N ATOM 314 CA VAL A 21 -0.330 1.398 -6.012 1.00 0.00 C ATOM 315 C VAL A 21 -1.386 1.288 -7.062 1.00 0.00 C ATOM 316 O VAL A 21 -1.854 2.271 -7.601 1.00 0.00 O ATOM 317 CB VAL A 21 1.058 1.014 -6.633 1.00 0.00 C ATOM 318 CG1 VAL A 21 1.095 1.506 -8.025 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.254 1.542 -5.789 1.00 0.00 C ATOM 0 H VAL A 21 0.038 -0.148 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.262 2.422 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 21 1.166 -0.071 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.053 1.249 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.290 1.044 -8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.969 2.589 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.191 1.249 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.203 2.629 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.206 1.118 -4.786 1.00 0.00 H new ATOM 329 N HIS A 22 -1.737 0.091 -7.327 1.00 0.00 N ATOM 330 CA HIS A 22 -2.754 -0.231 -8.288 1.00 0.00 C ATOM 331 C HIS A 22 -4.007 0.309 -7.803 1.00 0.00 C ATOM 332 O HIS A 22 -4.652 0.936 -8.484 1.00 0.00 O ATOM 333 CB HIS A 22 -2.843 -1.714 -8.417 1.00 0.00 C ATOM 334 CG HIS A 22 -3.768 -2.253 -9.487 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.112 -2.371 -9.535 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.313 -2.781 -10.666 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.427 -2.958 -10.729 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.325 -3.195 -11.391 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.323 -0.726 -6.878 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.523 0.192 -9.266 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.841 -2.099 -8.609 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.162 -2.120 -7.457 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.275 -2.847 -10.956 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.425 -3.189 -11.070 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.263 -3.627 -12.313 1.00 0.00 H new ATOM 347 N ALA A 23 -4.267 0.111 -6.590 1.00 0.00 N ATOM 348 CA ALA A 23 -5.455 0.543 -5.967 1.00 0.00 C ATOM 349 C ALA A 23 -5.527 2.085 -5.936 1.00 0.00 C ATOM 350 O ALA A 23 -6.581 2.672 -6.027 1.00 0.00 O ATOM 351 CB ALA A 23 -5.516 -0.124 -4.602 1.00 0.00 C ATOM 0 H ALA A 23 -3.633 -0.381 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.343 0.245 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.425 0.186 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.521 -1.207 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.647 0.170 -4.014 1.00 0.00 H new ATOM 357 N ALA A 24 -4.398 2.697 -5.887 1.00 0.00 N ATOM 358 CA ALA A 24 -4.277 4.109 -5.936 1.00 0.00 C ATOM 359 C ALA A 24 -4.571 4.607 -7.333 1.00 0.00 C ATOM 360 O ALA A 24 -5.313 5.567 -7.549 1.00 0.00 O ATOM 361 CB ALA A 24 -2.853 4.402 -5.671 1.00 0.00 C ATOM 0 H ALA A 24 -3.504 2.212 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.960 4.577 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.693 5.480 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.579 4.016 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.236 3.926 -6.433 1.00 0.00 H new ATOM 367 N GLN A 25 -3.948 3.937 -8.258 1.00 0.00 N ATOM 368 CA GLN A 25 -3.929 4.297 -9.642 1.00 0.00 C ATOM 369 C GLN A 25 -5.181 3.835 -10.371 1.00 0.00 C ATOM 370 O GLN A 25 -5.621 4.445 -11.359 1.00 0.00 O ATOM 371 CB GLN A 25 -2.809 3.503 -10.247 1.00 0.00 C ATOM 372 CG GLN A 25 -2.501 3.778 -11.636 1.00 0.00 C ATOM 373 CD GLN A 25 -1.760 2.597 -12.191 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.370 1.704 -12.771 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.496 2.500 -11.917 1.00 0.00 N ATOM 0 H GLN A 25 -3.417 3.089 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.839 5.380 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.909 3.677 -9.657 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.052 2.444 -10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.416 3.953 -12.201 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.896 4.681 -11.720 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.019 3.261 -11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.021 1.663 -12.185 1.00 0.00 H new ATOM 384 N CYS A 26 -5.739 2.791 -9.878 1.00 0.00 N ATOM 385 CA CYS A 26 -6.847 2.176 -10.467 1.00 0.00 C ATOM 386 C CYS A 26 -8.049 2.916 -9.983 1.00 0.00 C ATOM 387 O CYS A 26 -8.320 2.902 -8.788 1.00 0.00 O ATOM 388 CB CYS A 26 -6.939 0.671 -10.025 1.00 0.00 C ATOM 389 SG CYS A 26 -8.396 -0.240 -10.601 1.00 0.00 S ATOM 0 H CYS A 26 -5.418 2.334 -9.024 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.772 2.199 -11.554 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.048 0.154 -10.381 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.918 0.631 -8.936 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.342 -1.464 -10.167 1.00 0.00 H new ATOM 395 N ARG A 27 -8.789 3.547 -10.833 1.00 0.00 N ATOM 396 CA ARG A 27 -9.900 4.244 -10.304 1.00 0.00 C ATOM 397 C ARG A 27 -11.118 3.783 -10.979 1.00 0.00 C ATOM 398 O ARG A 27 -11.616 4.298 -11.978 1.00 0.00 O ATOM 399 CB ARG A 27 -9.655 5.785 -10.261 1.00 0.00 C ATOM 400 CG ARG A 27 -8.893 6.383 -11.471 1.00 0.00 C ATOM 401 CD ARG A 27 -9.727 6.402 -12.727 1.00 0.00 C ATOM 402 NE ARG A 27 -8.999 6.846 -13.911 1.00 0.00 N ATOM 403 CZ ARG A 27 -9.504 7.690 -14.819 1.00 0.00 C ATOM 404 NH1 ARG A 27 -10.688 8.264 -14.614 1.00 0.00 N ATOM 405 NH2 ARG A 27 -8.826 7.969 -15.917 1.00 0.00 N ATOM 0 H ARG A 27 -8.653 3.593 -11.843 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.047 4.009 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.620 6.285 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.098 6.020 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.579 7.399 -11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.988 5.803 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.119 5.401 -12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.585 7.057 -12.573 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.053 6.494 -14.055 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.213 8.061 -13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.070 8.907 -15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.914 7.541 -16.076 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.214 8.613 -16.606 1.00 0.00 H new ATOM 419 N ASN A 28 -11.516 2.731 -10.436 1.00 0.00 N ATOM 420 CA ASN A 28 -12.621 1.990 -10.820 1.00 0.00 C ATOM 421 C ASN A 28 -13.157 1.413 -9.553 1.00 0.00 C ATOM 422 O ASN A 28 -12.592 0.425 -9.093 1.00 0.00 O ATOM 423 CB ASN A 28 -12.057 0.902 -11.672 1.00 0.00 C ATOM 424 CG ASN A 28 -13.021 0.160 -12.513 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.216 0.087 -12.227 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.509 -0.463 -13.522 1.00 0.00 N ATOM 0 H ASN A 28 -11.034 2.324 -9.635 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.398 2.542 -11.349 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.299 1.336 -12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.549 0.188 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.101 -1.043 -14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.513 -0.375 -13.724 1.00 0.00 H new ATOM 433 N ALA A 29 -14.141 1.963 -8.931 1.00 0.00 N ATOM 434 CA ALA A 29 -14.541 1.392 -7.643 1.00 0.00 C ATOM 435 C ALA A 29 -15.163 0.006 -7.804 1.00 0.00 C ATOM 436 O ALA A 29 -15.243 -0.760 -6.870 1.00 0.00 O ATOM 437 CB ALA A 29 -15.410 2.326 -6.855 1.00 0.00 C ATOM 0 H ALA A 29 -14.677 2.769 -9.253 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.631 1.258 -7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.681 1.859 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.867 3.251 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.314 2.548 -7.422 1.00 0.00 H new ATOM 443 N ASN A 30 -15.542 -0.317 -9.013 1.00 0.00 N ATOM 444 CA ASN A 30 -16.085 -1.607 -9.330 1.00 0.00 C ATOM 445 C ASN A 30 -15.167 -2.358 -10.231 1.00 0.00 C ATOM 446 O ASN A 30 -15.605 -3.111 -11.103 1.00 0.00 O ATOM 447 CB ASN A 30 -17.449 -1.486 -9.941 1.00 0.00 C ATOM 448 CG ASN A 30 -18.480 -0.955 -8.958 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.318 -1.044 -7.738 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.558 -0.455 -9.456 1.00 0.00 N ATOM 0 H ASN A 30 -15.481 0.316 -9.811 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.185 -2.166 -8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.400 -0.823 -10.805 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.768 -2.462 -10.306 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.299 -0.123 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.671 -0.391 -10.468 1.00 0.00 H new ATOM 457 N CYS A 31 -13.867 -2.119 -10.061 1.00 0.00 N ATOM 458 CA CYS A 31 -12.886 -3.043 -10.592 1.00 0.00 C ATOM 459 C CYS A 31 -13.214 -4.228 -9.888 1.00 0.00 C ATOM 460 O CYS A 31 -13.293 -4.135 -8.629 1.00 0.00 O ATOM 461 CB CYS A 31 -11.472 -2.715 -10.097 1.00 0.00 C ATOM 462 SG CYS A 31 -10.197 -3.892 -10.561 1.00 0.00 S ATOM 0 H CYS A 31 -13.483 -1.311 -9.571 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.898 -3.057 -11.682 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.191 -1.733 -10.478 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.495 -2.641 -9.010 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.052 -3.501 -10.085 1.00 0.00 H new ATOM 468 N SER A 32 -13.382 -5.347 -10.500 1.00 0.00 N ATOM 469 CA SER A 32 -13.653 -6.248 -9.594 1.00 0.00 C ATOM 470 C SER A 32 -12.527 -7.177 -9.579 1.00 0.00 C ATOM 471 O SER A 32 -12.450 -8.179 -10.280 1.00 0.00 O ATOM 472 CB SER A 32 -14.970 -6.971 -9.979 1.00 0.00 C ATOM 473 OG SER A 32 -14.954 -7.435 -11.330 1.00 0.00 O ATOM 0 H SER A 32 -13.335 -5.588 -11.490 1.00 0.00 H new ATOM 0 HA SER A 32 -13.791 -5.810 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.129 -7.815 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.810 -6.291 -9.840 1.00 0.00 H new ATOM 0 HG SER A 32 -14.097 -7.872 -11.516 1.00 0.00 H new ATOM 479 N LEU A 33 -11.586 -6.730 -8.860 1.00 0.00 N ATOM 480 CA LEU A 33 -10.818 -7.306 -8.023 1.00 0.00 C ATOM 481 C LEU A 33 -11.239 -6.626 -6.727 1.00 0.00 C ATOM 482 O LEU A 33 -10.841 -5.521 -6.517 1.00 0.00 O ATOM 483 CB LEU A 33 -9.389 -7.153 -8.460 1.00 0.00 C ATOM 484 CG LEU A 33 -8.365 -7.580 -7.496 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.829 -8.687 -6.638 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.170 -7.999 -8.194 1.00 0.00 C ATOM 0 H LEU A 33 -11.352 -5.739 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.896 -8.388 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.250 -7.720 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.215 -6.104 -8.702 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.153 -6.722 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.037 -8.966 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.708 -8.369 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.086 -9.545 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.418 -8.313 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.408 -8.832 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.782 -7.168 -8.783 1.00 0.00 H new ATOM 498 N PRO A 34 -12.213 -7.097 -6.024 1.00 0.00 N ATOM 499 CA PRO A 34 -12.567 -6.574 -4.695 1.00 0.00 C ATOM 500 C PRO A 34 -11.445 -6.555 -3.752 1.00 0.00 C ATOM 501 O PRO A 34 -11.463 -5.804 -2.812 1.00 0.00 O ATOM 502 CB PRO A 34 -13.656 -7.465 -4.269 1.00 0.00 C ATOM 503 CG PRO A 34 -14.340 -7.658 -5.578 1.00 0.00 C ATOM 504 CD PRO A 34 -13.213 -7.969 -6.509 1.00 0.00 C ATOM 0 HA PRO A 34 -12.860 -5.525 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.291 -8.400 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.304 -7.007 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.065 -8.471 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.881 -6.763 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.910 -9.015 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.469 -7.765 -7.549 1.00 0.00 H new ATOM 512 N SER A 35 -10.482 -7.351 -3.993 1.00 0.00 N ATOM 513 CA SER A 35 -9.286 -7.199 -3.286 1.00 0.00 C ATOM 514 C SER A 35 -8.484 -5.934 -3.800 1.00 0.00 C ATOM 515 O SER A 35 -7.791 -5.265 -3.026 1.00 0.00 O ATOM 516 CB SER A 35 -8.516 -8.509 -3.132 1.00 0.00 C ATOM 517 OG SER A 35 -9.124 -9.326 -2.130 1.00 0.00 O ATOM 0 H SER A 35 -10.501 -8.111 -4.673 1.00 0.00 H new ATOM 0 HA SER A 35 -9.507 -6.960 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.497 -9.042 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.481 -8.301 -2.862 1.00 0.00 H new ATOM 0 HG SER A 35 -8.622 -10.163 -2.042 1.00 0.00 H new ATOM 523 N CYS A 36 -8.705 -5.521 -5.101 1.00 0.00 N ATOM 524 CA CYS A 36 -8.193 -4.274 -5.569 1.00 0.00 C ATOM 525 C CYS A 36 -8.985 -3.170 -4.906 1.00 0.00 C ATOM 526 O CYS A 36 -8.425 -2.192 -4.465 1.00 0.00 O ATOM 527 CB CYS A 36 -8.233 -4.097 -7.118 1.00 0.00 C ATOM 528 SG CYS A 36 -6.769 -4.718 -7.958 1.00 0.00 S ATOM 0 H CYS A 36 -9.229 -6.056 -5.794 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.136 -4.239 -5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.111 -4.610 -7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.352 -3.039 -7.350 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.075 -3.719 -8.416 1.00 0.00 H new ATOM 534 N GLN A 37 -10.331 -3.396 -4.833 1.00 0.00 N ATOM 535 CA GLN A 37 -11.313 -2.528 -4.166 1.00 0.00 C ATOM 536 C GLN A 37 -10.906 -2.253 -2.855 1.00 0.00 C ATOM 537 O GLN A 37 -10.861 -1.151 -2.448 1.00 0.00 O ATOM 538 CB GLN A 37 -12.708 -3.141 -4.115 1.00 0.00 C ATOM 539 CG GLN A 37 -13.398 -3.314 -5.481 1.00 0.00 C ATOM 540 CD GLN A 37 -14.798 -3.857 -5.339 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.092 -4.605 -4.418 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.670 -3.454 -6.205 1.00 0.00 N ATOM 0 H GLN A 37 -10.762 -4.218 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.363 -1.615 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.641 -4.117 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.339 -2.516 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.432 -2.353 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.809 -3.988 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.388 -2.830 -6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.640 -3.761 -6.132 1.00 0.00 H new ATOM 551 N LYS A 38 -10.581 -3.235 -2.239 1.00 0.00 N ATOM 552 CA LYS A 38 -10.220 -3.214 -0.954 1.00 0.00 C ATOM 553 C LYS A 38 -8.997 -2.355 -0.636 1.00 0.00 C ATOM 554 O LYS A 38 -9.021 -1.579 0.270 1.00 0.00 O ATOM 555 CB LYS A 38 -9.954 -4.532 -0.618 1.00 0.00 C ATOM 556 CG LYS A 38 -9.147 -4.633 0.550 1.00 0.00 C ATOM 557 CD LYS A 38 -9.539 -5.729 1.321 1.00 0.00 C ATOM 558 CE LYS A 38 -9.439 -6.996 0.544 1.00 0.00 C ATOM 559 NZ LYS A 38 -10.173 -8.085 1.161 1.00 0.00 N ATOM 0 H LYS A 38 -10.556 -4.167 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.029 -2.761 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.893 -5.061 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.450 -5.023 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.099 -4.735 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.231 -3.719 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.912 -5.794 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.564 -5.589 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.819 -6.831 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.390 -7.278 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.128 -8.924 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.752 -8.308 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.166 -7.804 1.292 1.00 0.00 H new ATOM 573 N MET A 39 -7.934 -2.579 -1.353 1.00 0.00 N ATOM 574 CA MET A 39 -6.669 -1.879 -1.112 1.00 0.00 C ATOM 575 C MET A 39 -6.847 -0.408 -1.327 1.00 0.00 C ATOM 576 O MET A 39 -6.313 0.444 -0.641 1.00 0.00 O ATOM 577 CB MET A 39 -5.640 -2.335 -2.109 1.00 0.00 C ATOM 578 CG MET A 39 -4.853 -3.514 -1.730 1.00 0.00 C ATOM 579 SD MET A 39 -3.306 -3.146 -0.883 1.00 0.00 S ATOM 580 CE MET A 39 -3.852 -2.036 0.351 1.00 0.00 C ATOM 0 H MET A 39 -7.902 -3.247 -2.123 1.00 0.00 H new ATOM 0 HA MET A 39 -6.356 -2.091 -0.090 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.146 -2.548 -3.051 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.953 -1.509 -2.295 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.462 -4.149 -1.086 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.631 -4.090 -2.628 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.992 -1.638 0.889 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.401 -1.217 -0.114 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.505 -2.560 1.049 1.00 0.00 H new ATOM 590 N LYS A 40 -7.558 -0.196 -2.330 1.00 0.00 N ATOM 591 CA LYS A 40 -8.011 1.050 -2.858 1.00 0.00 C ATOM 592 C LYS A 40 -8.787 1.719 -1.756 1.00 0.00 C ATOM 593 O LYS A 40 -8.469 2.760 -1.349 1.00 0.00 O ATOM 594 CB LYS A 40 -8.945 0.615 -3.906 1.00 0.00 C ATOM 595 CG LYS A 40 -8.981 1.321 -5.141 1.00 0.00 C ATOM 596 CD LYS A 40 -9.963 0.624 -6.033 1.00 0.00 C ATOM 597 CE LYS A 40 -9.445 0.478 -7.392 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.312 -0.348 -8.201 1.00 0.00 N ATOM 0 H LYS A 40 -7.896 -0.976 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.235 1.724 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.723 -0.428 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.949 0.643 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.278 2.358 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.993 1.340 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.194 -0.359 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.897 1.186 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.344 1.461 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.448 0.038 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.972 -0.349 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.308 -1.320 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.280 0.030 -8.170 1.00 0.00 H new ATOM 612 N ARG A 41 -9.719 0.951 -1.206 1.00 0.00 N ATOM 613 CA ARG A 41 -10.587 1.258 -0.049 1.00 0.00 C ATOM 614 C ARG A 41 -9.822 1.348 1.155 1.00 0.00 C ATOM 615 O ARG A 41 -10.333 1.687 2.155 1.00 0.00 O ATOM 616 CB ARG A 41 -11.544 0.187 0.150 1.00 0.00 C ATOM 617 CG ARG A 41 -12.776 0.294 -0.681 1.00 0.00 C ATOM 618 CD ARG A 41 -13.722 -0.758 -0.274 1.00 0.00 C ATOM 619 NE ARG A 41 -14.817 -0.908 -1.226 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.688 -1.925 -1.266 1.00 0.00 C ATOM 621 NH1 ARG A 41 -15.685 -2.866 -0.314 1.00 0.00 N ATOM 622 NH2 ARG A 41 -16.568 -1.993 -2.254 1.00 0.00 N ATOM 0 H ARG A 41 -9.912 0.021 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.083 2.205 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.056 -0.763 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.831 0.165 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.230 1.277 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.528 0.189 -1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.192 -1.706 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.127 -0.520 0.710 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.930 -0.173 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.015 -2.813 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.353 -3.636 -0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.579 -1.274 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.234 -2.764 -2.291 1.00 0.00 H new ATOM 636 N VAL A 42 -8.632 0.911 1.092 1.00 0.00 N ATOM 637 CA VAL A 42 -7.763 1.016 2.128 1.00 0.00 C ATOM 638 C VAL A 42 -7.052 2.293 2.097 1.00 0.00 C ATOM 639 O VAL A 42 -6.977 2.948 3.106 1.00 0.00 O ATOM 640 CB VAL A 42 -6.952 -0.235 2.409 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.573 0.107 2.927 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.678 -0.818 3.488 1.00 0.00 C ATOM 0 H VAL A 42 -8.243 0.453 0.268 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.346 1.060 3.048 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.824 -0.857 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.018 -0.811 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.043 0.703 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.663 0.676 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.192 -1.744 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.700 -0.124 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.698 -1.032 3.167 1.00 0.00 H new ATOM 652 N VAL A 43 -6.584 2.672 0.935 1.00 0.00 N ATOM 653 CA VAL A 43 -6.171 3.985 0.671 1.00 0.00 C ATOM 654 C VAL A 43 -7.293 4.892 1.023 1.00 0.00 C ATOM 655 O VAL A 43 -7.165 5.769 1.842 1.00 0.00 O ATOM 656 CB VAL A 43 -5.812 4.129 -0.821 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.644 5.546 -1.146 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.564 3.271 -1.252 1.00 0.00 C ATOM 0 H VAL A 43 -6.486 2.042 0.139 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.287 4.237 1.258 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.641 3.724 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.390 5.650 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.573 6.079 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.844 5.967 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.369 3.421 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.693 3.581 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.766 2.216 -1.065 1.00 0.00 H new ATOM 668 N GLN A 44 -8.392 4.574 0.511 1.00 0.00 N ATOM 669 CA GLN A 44 -9.537 5.333 0.649 1.00 0.00 C ATOM 670 C GLN A 44 -10.122 5.252 2.081 1.00 0.00 C ATOM 671 O GLN A 44 -10.803 6.184 2.524 1.00 0.00 O ATOM 672 CB GLN A 44 -10.491 4.947 -0.455 1.00 0.00 C ATOM 673 CG GLN A 44 -9.872 5.248 -1.816 1.00 0.00 C ATOM 674 CD GLN A 44 -9.863 6.714 -2.187 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.847 7.457 -1.746 1.00 0.00 O flip ATOM 676 NE2 GLN A 44 -8.975 7.173 -2.896 1.00 0.00 N flip ATOM 0 H GLN A 44 -8.524 3.730 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.314 6.394 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.731 3.886 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.427 5.494 -0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.847 4.877 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.418 4.695 -2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.221 6.569 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.990 8.159 -3.158 1.00 0.00 H new ATOM 685 N HIS A 45 -9.800 4.161 2.828 1.00 0.00 N ATOM 686 CA HIS A 45 -10.265 4.037 4.243 1.00 0.00 C ATOM 687 C HIS A 45 -9.474 4.979 4.999 1.00 0.00 C ATOM 688 O HIS A 45 -9.982 5.804 5.699 1.00 0.00 O ATOM 689 CB HIS A 45 -10.061 2.626 4.849 1.00 0.00 C ATOM 690 CG HIS A 45 -10.685 2.409 6.209 1.00 0.00 C ATOM 691 ND1 HIS A 45 -10.073 2.765 7.397 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.863 1.843 6.558 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.848 2.422 8.406 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.933 1.866 7.925 1.00 0.00 N ATOM 0 H HIS A 45 -9.240 3.378 2.492 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.338 4.227 4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.471 1.889 4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.991 2.432 4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.609 1.447 5.884 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.627 2.573 9.452 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.708 1.507 8.482 1.00 0.00 H new ATOM 703 N THR A 46 -8.223 4.812 4.816 1.00 0.00 N ATOM 704 CA THR A 46 -7.211 5.645 5.289 1.00 0.00 C ATOM 705 C THR A 46 -7.559 7.120 5.108 1.00 0.00 C ATOM 706 O THR A 46 -7.779 7.753 6.048 1.00 0.00 O ATOM 707 CB THR A 46 -5.894 5.216 4.578 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.517 3.932 4.998 1.00 0.00 O ATOM 709 CG2 THR A 46 -4.744 6.135 4.693 1.00 0.00 C ATOM 0 H THR A 46 -7.859 4.020 4.286 1.00 0.00 H new ATOM 0 HA THR A 46 -7.083 5.535 6.366 1.00 0.00 H new ATOM 0 HB THR A 46 -6.150 5.238 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.710 3.830 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.892 5.720 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.007 7.102 4.265 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.483 6.262 5.744 1.00 0.00 H new ATOM 717 N LYS A 47 -7.789 7.599 3.932 1.00 0.00 N ATOM 718 CA LYS A 47 -7.860 9.038 3.723 1.00 0.00 C ATOM 719 C LYS A 47 -9.193 9.604 4.169 1.00 0.00 C ATOM 720 O LYS A 47 -9.272 10.776 4.540 1.00 0.00 O ATOM 721 CB LYS A 47 -7.765 9.288 2.304 1.00 0.00 C ATOM 722 CG LYS A 47 -6.620 8.561 1.583 1.00 0.00 C ATOM 723 CD LYS A 47 -6.597 8.904 0.143 1.00 0.00 C ATOM 724 CE LYS A 47 -5.839 10.154 -0.008 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.000 10.773 -1.333 1.00 0.00 N ATOM 0 H LYS A 47 -7.933 7.034 3.095 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.057 9.502 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.707 9.000 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.647 10.360 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.668 8.831 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.736 7.484 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.133 8.104 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.611 9.024 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.160 10.861 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.782 9.954 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.442 11.649 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.669 10.114 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.004 10.993 -1.494 1.00 0.00 H new ATOM 739 N GLY A 48 -10.246 8.788 4.114 1.00 0.00 N ATOM 740 CA GLY A 48 -11.513 9.246 4.615 1.00 0.00 C ATOM 741 C GLY A 48 -11.510 9.148 6.115 1.00 0.00 C ATOM 742 O GLY A 48 -12.397 9.661 6.797 1.00 0.00 O ATOM 0 H GLY A 48 -10.237 7.840 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.690 10.276 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.322 8.645 4.200 1.00 0.00 H new ATOM 746 N CYS A 49 -10.508 8.490 6.624 1.00 0.00 N ATOM 747 CA CYS A 49 -10.263 8.443 8.020 1.00 0.00 C ATOM 748 C CYS A 49 -9.210 9.551 8.331 1.00 0.00 C ATOM 749 O CYS A 49 -8.489 9.957 7.433 1.00 0.00 O ATOM 750 CB CYS A 49 -9.836 6.962 8.492 1.00 0.00 C ATOM 751 SG CYS A 49 -11.237 5.841 8.675 1.00 0.00 S ATOM 0 H CYS A 49 -9.834 7.967 6.065 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.164 8.649 8.598 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.137 6.544 7.767 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.307 7.029 9.442 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.460 5.237 7.546 1.00 0.00 H new ATOM 757 N LYS A 50 -9.224 10.172 9.489 1.00 0.00 N ATOM 758 CA LYS A 50 -8.025 10.932 9.898 1.00 0.00 C ATOM 759 C LYS A 50 -7.436 10.372 11.174 1.00 0.00 C ATOM 760 O LYS A 50 -6.262 10.654 11.586 1.00 0.00 O ATOM 761 CB LYS A 50 -8.257 12.368 9.979 1.00 0.00 C ATOM 762 CG LYS A 50 -7.002 13.151 9.648 1.00 0.00 C ATOM 763 CD LYS A 50 -6.693 13.135 8.140 1.00 0.00 C ATOM 764 CE LYS A 50 -7.727 13.915 7.332 1.00 0.00 C ATOM 765 NZ LYS A 50 -7.745 15.358 7.670 1.00 0.00 N ATOM 0 H LYS A 50 -10.002 10.180 10.148 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.286 10.804 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.055 12.649 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.595 12.627 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.119 14.182 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.158 12.731 10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.704 13.560 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.662 12.104 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.516 13.797 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.716 13.492 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.309 15.873 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.167 15.489 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.772 15.726 7.672 1.00 0.00 H new ATOM 779 N ARG A 51 -8.179 9.451 11.753 1.00 0.00 N ATOM 780 CA ARG A 51 -7.725 8.711 12.845 1.00 0.00 C ATOM 781 C ARG A 51 -6.651 7.733 12.387 1.00 0.00 C ATOM 782 O ARG A 51 -6.076 7.010 13.211 1.00 0.00 O ATOM 783 CB ARG A 51 -8.844 8.037 13.656 1.00 0.00 C ATOM 784 CG ARG A 51 -9.691 8.992 14.512 1.00 0.00 C ATOM 785 CD ARG A 51 -8.913 9.504 15.734 1.00 0.00 C ATOM 786 NE ARG A 51 -9.658 10.493 16.522 1.00 0.00 N ATOM 787 CZ ARG A 51 -9.159 11.148 17.592 1.00 0.00 C ATOM 788 NH1 ARG A 51 -7.969 10.801 18.096 1.00 0.00 N ATOM 789 NH2 ARG A 51 -9.869 12.106 18.180 1.00 0.00 N ATOM 0 H ARG A 51 -9.124 9.214 11.452 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.282 9.411 13.553 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.503 7.509 12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.398 7.287 14.309 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.011 9.838 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.593 8.479 14.844 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.656 8.659 16.373 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.975 9.948 15.400 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.617 10.699 16.243 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.438 10.041 17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.593 11.297 18.904 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.793 12.348 17.823 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.489 12.599 18.988 1.00 0.00 H new ATOM 803 N LYS A 52 -6.430 7.729 11.039 1.00 0.00 N ATOM 804 CA LYS A 52 -5.525 6.859 10.329 1.00 0.00 C ATOM 805 C LYS A 52 -4.267 6.748 11.097 1.00 0.00 C ATOM 806 O LYS A 52 -3.963 5.692 11.670 1.00 0.00 O ATOM 807 CB LYS A 52 -5.138 7.497 8.949 1.00 0.00 C ATOM 808 CG LYS A 52 -6.152 8.330 8.291 1.00 0.00 C ATOM 809 CD LYS A 52 -5.533 9.409 7.425 1.00 0.00 C ATOM 810 CE LYS A 52 -5.140 9.024 6.020 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.810 10.212 5.219 1.00 0.00 N ATOM 0 H LYS A 52 -6.915 8.374 10.415 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.011 5.893 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.244 8.104 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.868 6.691 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.796 7.699 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.786 8.793 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.238 10.238 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.644 9.783 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.282 8.352 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.956 8.478 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.462 9.915 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.661 10.799 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.073 10.764 5.703 1.00 0.00 H new ATOM 825 N THR A 53 -3.537 7.806 11.141 1.00 0.00 N ATOM 826 CA THR A 53 -2.483 7.882 11.983 1.00 0.00 C ATOM 827 C THR A 53 -2.809 8.504 13.350 1.00 0.00 C ATOM 828 O THR A 53 -2.352 8.020 14.380 1.00 0.00 O ATOM 829 CB THR A 53 -1.210 8.347 11.316 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.514 9.451 10.448 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.637 7.177 10.511 1.00 0.00 C ATOM 0 H THR A 53 -3.689 8.636 10.568 1.00 0.00 H new ATOM 0 HA THR A 53 -2.249 6.853 12.258 1.00 0.00 H new ATOM 0 HB THR A 53 -0.479 8.673 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.693 9.760 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.284 7.490 10.020 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.426 6.343 11.181 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.361 6.864 9.759 1.00 0.00 H new ATOM 839 N ASN A 54 -3.710 9.563 13.342 1.00 0.00 N ATOM 840 CA ASN A 54 -3.944 10.412 14.536 1.00 0.00 C ATOM 841 C ASN A 54 -4.473 9.643 15.706 1.00 0.00 C ATOM 842 O ASN A 54 -4.217 9.960 16.867 1.00 0.00 O ATOM 843 CB ASN A 54 -4.910 11.541 14.205 1.00 0.00 C ATOM 844 CG ASN A 54 -5.194 12.500 15.361 1.00 0.00 C ATOM 845 OD1 ASN A 54 -4.364 12.721 16.230 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.367 13.083 15.368 1.00 0.00 N ATOM 0 H ASN A 54 -4.265 9.827 12.528 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.971 10.815 14.818 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.507 12.112 13.368 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.853 11.108 13.871 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.606 13.739 16.111 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.042 12.881 14.630 1.00 0.00 H new ATOM 853 N GLY A 55 -5.170 8.645 15.407 1.00 0.00 N ATOM 854 CA GLY A 55 -5.790 7.874 16.438 1.00 0.00 C ATOM 855 C GLY A 55 -4.994 6.677 16.660 1.00 0.00 C ATOM 856 O GLY A 55 -4.456 6.426 17.731 1.00 0.00 O ATOM 0 H GLY A 55 -5.343 8.319 14.456 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.862 8.457 17.356 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.807 7.605 16.151 1.00 0.00 H new ATOM 860 N GLY A 56 -4.905 5.982 15.632 1.00 0.00 N ATOM 861 CA GLY A 56 -4.159 4.801 15.565 1.00 0.00 C ATOM 862 C GLY A 56 -4.924 3.780 14.906 1.00 0.00 C ATOM 863 O GLY A 56 -5.233 2.760 15.503 1.00 0.00 O ATOM 0 H GLY A 56 -5.371 6.221 14.757 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.229 4.978 15.025 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.887 4.474 16.569 1.00 0.00 H new ATOM 867 N CYS A 57 -5.283 4.018 13.682 1.00 0.00 N ATOM 868 CA CYS A 57 -6.010 2.983 13.017 1.00 0.00 C ATOM 869 C CYS A 57 -5.073 2.434 12.010 1.00 0.00 C ATOM 870 O CYS A 57 -5.132 2.899 10.840 1.00 0.00 O ATOM 871 CB CYS A 57 -7.334 3.493 12.313 1.00 0.00 C ATOM 872 SG CYS A 57 -8.441 2.176 11.756 1.00 0.00 S ATOM 0 H CYS A 57 -5.099 4.868 13.148 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.346 2.241 13.741 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.875 4.136 13.007 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.061 4.108 11.455 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.492 2.700 11.197 1.00 0.00 H new ATOM 878 N PRO A 58 -4.068 1.515 12.347 1.00 0.00 N ATOM 879 CA PRO A 58 -3.132 1.423 11.292 1.00 0.00 C ATOM 880 C PRO A 58 -3.444 0.429 10.167 1.00 0.00 C ATOM 881 O PRO A 58 -2.590 -0.413 9.844 1.00 0.00 O ATOM 882 CB PRO A 58 -2.151 0.511 12.113 1.00 0.00 C ATOM 883 CG PRO A 58 -3.103 -0.410 12.745 1.00 0.00 C ATOM 884 CD PRO A 58 -4.035 0.489 13.378 1.00 0.00 C ATOM 0 HA PRO A 58 -2.930 2.396 10.844 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.435 -0.007 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.574 1.077 12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.593 -1.053 12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.616 -1.064 13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.010 0.034 13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.679 0.863 14.338 1.00 0.00 H new ATOM 892 N ILE A 59 -4.204 0.895 9.293 1.00 0.00 N ATOM 893 CA ILE A 59 -4.326 0.427 8.060 1.00 0.00 C ATOM 894 C ILE A 59 -3.505 1.281 7.216 1.00 0.00 C ATOM 895 O ILE A 59 -2.650 0.853 6.598 1.00 0.00 O ATOM 896 CB ILE A 59 -5.789 0.141 7.754 1.00 0.00 C ATOM 897 CG1 ILE A 59 -5.944 -0.893 6.744 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.724 1.324 7.519 1.00 0.00 C ATOM 899 CD1 ILE A 59 -7.385 -1.277 6.611 1.00 0.00 C ATOM 0 H ILE A 59 -4.807 1.698 9.471 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.924 -0.567 7.862 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.148 -0.232 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.566 -0.535 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.351 -1.767 7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.730 0.958 7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.742 1.955 8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.369 1.905 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.486 -2.052 5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.750 -1.655 7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.969 -0.404 6.319 1.00 0.00 H new ATOM 911 N CYS A 60 -3.828 2.594 7.386 1.00 0.00 N ATOM 912 CA CYS A 60 -3.225 3.855 6.964 1.00 0.00 C ATOM 913 C CYS A 60 -1.893 4.027 7.472 1.00 0.00 C ATOM 914 O CYS A 60 -1.181 4.787 6.990 1.00 0.00 O ATOM 915 CB CYS A 60 -3.949 4.878 7.781 1.00 0.00 C ATOM 916 SG CYS A 60 -5.715 4.514 8.020 1.00 0.00 S ATOM 0 H CYS A 60 -4.671 2.804 7.920 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.253 3.910 5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.469 4.956 8.756 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.850 5.850 7.298 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.873 3.835 9.117 1.00 0.00 H new ATOM 922 N LYS A 61 -1.671 3.489 8.568 1.00 0.00 N ATOM 923 CA LYS A 61 -0.442 3.609 9.188 1.00 0.00 C ATOM 924 C LYS A 61 0.426 2.656 8.633 1.00 0.00 C ATOM 925 O LYS A 61 1.518 2.999 8.237 1.00 0.00 O ATOM 926 CB LYS A 61 -0.534 3.452 10.592 1.00 0.00 C ATOM 927 CG LYS A 61 0.731 3.738 11.265 1.00 0.00 C ATOM 928 CD LYS A 61 0.662 3.141 12.612 1.00 0.00 C ATOM 929 CE LYS A 61 -0.578 3.547 13.444 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.398 3.198 14.863 1.00 0.00 N ATOM 0 H LYS A 61 -2.354 2.933 9.083 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.057 4.615 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.307 4.115 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.843 2.432 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.567 3.321 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.896 4.813 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.675 2.056 12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.559 3.422 13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.750 4.619 13.348 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.463 3.046 13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.243 3.480 15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.258 2.171 14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.434 3.695 15.240 1.00 0.00 H new ATOM 944 N GLN A 62 -0.032 1.417 8.547 1.00 0.00 N ATOM 945 CA GLN A 62 0.810 0.522 7.895 1.00 0.00 C ATOM 946 C GLN A 62 0.762 0.736 6.390 1.00 0.00 C ATOM 947 O GLN A 62 1.626 0.320 5.699 1.00 0.00 O ATOM 948 CB GLN A 62 0.653 -0.874 8.424 1.00 0.00 C ATOM 949 CG GLN A 62 0.863 -0.834 9.977 1.00 0.00 C ATOM 950 CD GLN A 62 1.190 -2.151 10.706 1.00 0.00 C ATOM 951 OE1 GLN A 62 1.929 -2.111 11.680 1.00 0.00 O ATOM 952 NE2 GLN A 62 0.602 -3.275 10.377 1.00 0.00 N ATOM 0 H GLN A 62 -0.919 1.059 8.901 1.00 0.00 H new ATOM 0 HA GLN A 62 1.854 0.727 8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.337 -1.263 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.379 -1.541 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.669 -0.130 10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.042 -0.423 10.424 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.014 -3.309 9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.761 -4.115 10.933 1.00 0.00 H new ATOM 961 N LEU A 63 -0.276 1.411 5.935 1.00 0.00 N ATOM 962 CA LEU A 63 -0.407 1.934 4.605 1.00 0.00 C ATOM 963 C LEU A 63 0.490 3.123 4.383 1.00 0.00 C ATOM 964 O LEU A 63 1.119 3.143 3.460 1.00 0.00 O ATOM 965 CB LEU A 63 -1.840 2.238 4.273 1.00 0.00 C ATOM 966 CG LEU A 63 -2.114 3.169 3.161 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.430 2.727 1.966 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.481 3.101 2.859 1.00 0.00 C ATOM 0 H LEU A 63 -1.087 1.615 6.519 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.077 1.158 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.337 1.295 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.312 2.641 5.169 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.793 4.169 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.638 3.420 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.356 2.696 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.780 1.731 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.707 3.782 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.739 2.083 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.062 3.385 3.736 1.00 0.00 H new ATOM 980 N ILE A 64 0.487 4.137 5.224 1.00 0.00 N ATOM 981 CA ILE A 64 1.495 5.216 5.161 1.00 0.00 C ATOM 982 C ILE A 64 2.828 4.597 5.156 1.00 0.00 C ATOM 983 O ILE A 64 3.654 4.988 4.439 1.00 0.00 O ATOM 984 CB ILE A 64 1.415 6.199 6.380 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.302 7.245 6.237 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.771 6.751 6.847 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.251 8.307 7.313 1.00 0.00 C ATOM 0 H ILE A 64 -0.200 4.251 5.969 1.00 0.00 H new ATOM 0 HA ILE A 64 1.303 5.796 4.258 1.00 0.00 H new ATOM 0 HB ILE A 64 1.105 5.582 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.416 7.738 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.657 6.727 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.619 7.421 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.415 5.925 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.242 7.299 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.573 8.991 7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.100 7.835 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.189 8.862 7.321 1.00 0.00 H new ATOM 999 N ALA A 65 3.001 3.646 5.991 1.00 0.00 N ATOM 1000 CA ALA A 65 4.178 2.894 6.023 1.00 0.00 C ATOM 1001 C ALA A 65 4.426 2.309 4.649 1.00 0.00 C ATOM 1002 O ALA A 65 5.398 2.610 3.996 1.00 0.00 O ATOM 1003 CB ALA A 65 3.999 1.800 6.984 1.00 0.00 C ATOM 0 H ALA A 65 2.307 3.368 6.685 1.00 0.00 H new ATOM 0 HA ALA A 65 5.022 3.520 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.908 1.199 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.792 2.213 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.164 1.174 6.671 1.00 0.00 H new ATOM 1009 N LEU A 66 3.487 1.546 4.224 1.00 0.00 N ATOM 1010 CA LEU A 66 3.472 0.928 2.967 1.00 0.00 C ATOM 1011 C LEU A 66 3.712 1.936 1.791 1.00 0.00 C ATOM 1012 O LEU A 66 4.675 1.811 1.048 1.00 0.00 O ATOM 1013 CB LEU A 66 2.157 0.167 2.837 1.00 0.00 C ATOM 1014 CG LEU A 66 1.800 -0.267 1.463 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.600 -1.364 1.159 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.365 -0.656 1.223 1.00 0.00 C ATOM 0 H LEU A 66 2.663 1.329 4.785 1.00 0.00 H new ATOM 0 HA LEU A 66 4.306 0.230 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.203 -0.714 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.354 0.797 3.220 1.00 0.00 H new ATOM 0 HG LEU A 66 1.959 0.606 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.369 -1.716 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.650 -1.074 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.409 -2.163 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.238 -0.952 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.101 -1.490 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.283 0.193 1.441 1.00 0.00 H new ATOM 1028 N ALA A 67 2.843 2.916 1.695 1.00 0.00 N ATOM 1029 CA ALA A 67 2.834 3.964 0.743 1.00 0.00 C ATOM 1030 C ALA A 67 4.077 4.825 0.810 1.00 0.00 C ATOM 1031 O ALA A 67 4.690 5.057 -0.198 1.00 0.00 O ATOM 1032 CB ALA A 67 1.578 4.824 0.927 1.00 0.00 C ATOM 0 H ALA A 67 2.062 2.992 2.347 1.00 0.00 H new ATOM 0 HA ALA A 67 2.824 3.504 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.577 5.629 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.691 4.206 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.572 5.250 1.930 1.00 0.00 H new ATOM 1038 N ALA A 68 4.423 5.311 1.991 1.00 0.00 N ATOM 1039 CA ALA A 68 5.589 6.206 2.188 1.00 0.00 C ATOM 1040 C ALA A 68 6.898 5.559 2.015 1.00 0.00 C ATOM 1041 O ALA A 68 7.772 6.104 1.379 1.00 0.00 O ATOM 1042 CB ALA A 68 5.584 6.905 3.498 1.00 0.00 C ATOM 0 H ALA A 68 3.914 5.106 2.850 1.00 0.00 H new ATOM 0 HA ALA A 68 5.461 6.933 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.465 7.542 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.686 7.517 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.598 6.170 4.303 1.00 0.00 H new ATOM 1048 N TYR A 69 7.076 4.422 2.595 1.00 0.00 N ATOM 1049 CA TYR A 69 8.271 3.711 2.438 1.00 0.00 C ATOM 1050 C TYR A 69 8.360 3.198 1.000 1.00 0.00 C ATOM 1051 O TYR A 69 9.443 2.886 0.475 1.00 0.00 O ATOM 1052 CB TYR A 69 8.291 2.635 3.453 1.00 0.00 C ATOM 1053 CG TYR A 69 8.414 3.101 4.908 1.00 0.00 C ATOM 1054 CD1 TYR A 69 9.360 4.033 5.303 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.602 2.562 5.879 1.00 0.00 C ATOM 1056 CE1 TYR A 69 9.482 4.414 6.630 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.707 2.935 7.201 1.00 0.00 C ATOM 1058 CZ TYR A 69 8.648 3.860 7.574 1.00 0.00 C ATOM 1059 OH TYR A 69 8.767 4.219 8.903 1.00 0.00 O ATOM 0 H TYR A 69 6.385 3.968 3.192 1.00 0.00 H new ATOM 0 HA TYR A 69 9.151 4.335 2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.377 2.049 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.124 1.967 3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.014 4.471 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.863 1.827 5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.226 5.140 6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.051 2.501 7.941 1.00 0.00 H new ATOM 0 HH TYR A 69 8.100 3.735 9.434 1.00 0.00 H new ATOM 1069 N HIS A 70 7.206 3.120 0.379 1.00 0.00 N ATOM 1070 CA HIS A 70 7.113 2.896 -1.086 1.00 0.00 C ATOM 1071 C HIS A 70 7.610 4.118 -1.807 1.00 0.00 C ATOM 1072 O HIS A 70 8.434 4.032 -2.687 1.00 0.00 O ATOM 1073 CB HIS A 70 5.664 2.656 -1.637 1.00 0.00 C ATOM 1074 CG HIS A 70 5.538 2.706 -3.151 1.00 0.00 C ATOM 1075 ND1 HIS A 70 4.695 3.601 -3.776 1.00 0.00 N ATOM 1076 CD2 HIS A 70 6.158 2.029 -4.143 1.00 0.00 C ATOM 1077 CE1 HIS A 70 4.800 3.477 -5.073 1.00 0.00 C ATOM 1078 NE2 HIS A 70 5.681 2.530 -5.331 1.00 0.00 N ATOM 0 H HIS A 70 6.304 3.206 0.847 1.00 0.00 H new ATOM 0 HA HIS A 70 7.702 1.995 -1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.316 1.683 -1.290 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.999 3.405 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.890 1.243 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.257 4.052 -5.809 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.963 2.220 -6.261 1.00 0.00 H new ATOM 1087 N ALA A 71 6.965 5.195 -1.486 1.00 0.00 N ATOM 1088 CA ALA A 71 7.155 6.518 -2.012 1.00 0.00 C ATOM 1089 C ALA A 71 8.562 6.842 -2.039 1.00 0.00 C ATOM 1090 O ALA A 71 9.103 7.222 -3.047 1.00 0.00 O ATOM 1091 CB ALA A 71 6.522 7.417 -1.051 1.00 0.00 C ATOM 0 H ALA A 71 6.224 5.172 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 71 6.746 6.599 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.630 8.447 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.463 7.172 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.000 7.304 -0.078 1.00 0.00 H new ATOM 1097 N LYS A 72 9.135 6.579 -0.923 1.00 0.00 N ATOM 1098 CA LYS A 72 10.504 6.786 -0.622 1.00 0.00 C ATOM 1099 C LYS A 72 11.395 6.238 -1.763 1.00 0.00 C ATOM 1100 O LYS A 72 12.452 6.796 -2.083 1.00 0.00 O ATOM 1101 CB LYS A 72 10.804 6.032 0.652 1.00 0.00 C ATOM 1102 CG LYS A 72 11.143 6.907 1.800 1.00 0.00 C ATOM 1103 CD LYS A 72 10.829 6.161 3.040 1.00 0.00 C ATOM 1104 CE LYS A 72 11.501 6.741 4.261 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.215 8.177 4.466 1.00 0.00 N ATOM 0 H LYS A 72 8.620 6.183 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 72 10.709 7.851 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.939 5.423 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.633 5.348 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.198 7.181 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.572 7.834 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.750 6.158 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.137 5.122 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.179 6.185 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.579 6.602 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.636 8.490 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.621 8.727 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.186 8.325 4.496 1.00 0.00 H new ATOM 1119 N HIS A 73 10.933 5.134 -2.370 1.00 0.00 N ATOM 1120 CA HIS A 73 11.583 4.549 -3.535 1.00 0.00 C ATOM 1121 C HIS A 73 10.879 4.833 -4.931 1.00 0.00 C ATOM 1122 O HIS A 73 11.583 4.947 -5.921 1.00 0.00 O ATOM 1123 CB HIS A 73 11.934 3.049 -3.337 1.00 0.00 C ATOM 1124 CG HIS A 73 10.791 2.084 -3.183 1.00 0.00 C ATOM 1125 ND1 HIS A 73 10.277 1.702 -1.958 1.00 0.00 N ATOM 1126 CD2 HIS A 73 10.119 1.362 -4.097 1.00 0.00 C ATOM 1127 CE1 HIS A 73 9.355 0.786 -2.132 1.00 0.00 C ATOM 1128 NE2 HIS A 73 9.231 0.563 -3.413 1.00 0.00 N ATOM 0 H HIS A 73 10.101 4.629 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 73 12.524 5.096 -3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.533 2.728 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.567 2.965 -2.453 1.00 0.00 H new ATOM 0 HD1 HIS A 73 10.570 2.076 -1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.251 1.402 -5.168 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.793 0.299 -1.349 1.00 0.00 H new ATOM 1137 N CYS A 74 9.507 4.950 -5.039 1.00 0.00 N ATOM 1138 CA CYS A 74 8.939 5.265 -6.354 1.00 0.00 C ATOM 1139 C CYS A 74 9.200 6.771 -6.574 1.00 0.00 C ATOM 1140 O CYS A 74 8.552 7.583 -5.906 1.00 0.00 O ATOM 1141 CB CYS A 74 7.355 5.083 -6.428 1.00 0.00 C ATOM 1142 SG CYS A 74 6.738 4.811 -8.106 1.00 0.00 S ATOM 0 H CYS A 74 8.838 4.836 -4.278 1.00 0.00 H new ATOM 0 HA CYS A 74 9.390 4.596 -7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.064 4.240 -5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.876 5.969 -6.012 1.00 0.00 H new ATOM 0 HG CYS A 74 5.446 4.671 -8.076 1.00 0.00 H new ATOM 1148 N GLN A 75 10.122 7.191 -7.447 1.00 0.00 N ATOM 1149 CA GLN A 75 10.257 8.621 -7.635 1.00 0.00 C ATOM 1150 C GLN A 75 9.167 9.082 -8.583 1.00 0.00 C ATOM 1151 O GLN A 75 9.333 8.997 -9.799 1.00 0.00 O ATOM 1152 CB GLN A 75 11.663 9.079 -8.160 1.00 0.00 C ATOM 1153 CG GLN A 75 12.830 8.781 -7.215 1.00 0.00 C ATOM 1154 CD GLN A 75 12.746 9.571 -5.899 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.266 10.678 -5.811 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.078 9.041 -4.880 1.00 0.00 N ATOM 0 H GLN A 75 10.744 6.599 -7.998 1.00 0.00 H new ATOM 0 HA GLN A 75 10.158 9.084 -6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.855 8.592 -9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.632 10.152 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.848 7.714 -6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.768 9.018 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.653 8.119 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.990 9.557 -4.004 1.00 0.00 H new ATOM 1165 N GLU A 76 8.020 9.468 -8.044 1.00 0.00 N ATOM 1166 CA GLU A 76 6.950 9.978 -8.834 1.00 0.00 C ATOM 1167 C GLU A 76 6.135 10.931 -8.001 1.00 0.00 C ATOM 1168 O GLU A 76 5.959 10.736 -6.787 1.00 0.00 O ATOM 1169 CB GLU A 76 6.058 8.897 -9.445 1.00 0.00 C ATOM 1170 CG GLU A 76 4.961 9.527 -10.302 1.00 0.00 C ATOM 1171 CD GLU A 76 3.861 8.610 -10.669 1.00 0.00 C ATOM 1172 OE1 GLU A 76 4.003 7.816 -11.622 1.00 0.00 O ATOM 1173 OE2 GLU A 76 2.802 8.719 -10.050 1.00 0.00 O ATOM 0 H GLU A 76 7.822 9.430 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 76 7.398 10.496 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.660 8.222 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.609 8.297 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.542 10.378 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.411 9.917 -11.215 1.00 0.00 H new ATOM 1180 N ASN A 77 5.667 11.941 -8.652 1.00 0.00 N ATOM 1181 CA ASN A 77 5.047 13.056 -8.025 1.00 0.00 C ATOM 1182 C ASN A 77 3.590 13.256 -8.484 1.00 0.00 C ATOM 1183 O ASN A 77 2.927 14.233 -8.103 1.00 0.00 O ATOM 1184 CB ASN A 77 5.955 14.295 -8.224 1.00 0.00 C ATOM 1185 CG ASN A 77 5.504 15.563 -7.493 1.00 0.00 C ATOM 1186 OD1 ASN A 77 4.785 16.395 -8.040 1.00 0.00 O ATOM 1187 ND2 ASN A 77 5.935 15.740 -6.294 1.00 0.00 N ATOM 0 H ASN A 77 5.707 12.015 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 77 4.952 12.877 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.962 14.043 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.016 14.513 -9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.681 16.583 -5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.531 15.037 -5.857 1.00 0.00 H new ATOM 1194 N LYS A 78 3.058 12.326 -9.257 1.00 0.00 N ATOM 1195 CA LYS A 78 1.898 12.699 -10.033 1.00 0.00 C ATOM 1196 C LYS A 78 0.659 11.780 -10.044 1.00 0.00 C ATOM 1197 O LYS A 78 -0.459 12.300 -10.025 1.00 0.00 O ATOM 1198 CB LYS A 78 2.378 13.002 -11.425 1.00 0.00 C ATOM 1199 CG LYS A 78 1.398 13.656 -12.338 1.00 0.00 C ATOM 1200 CD LYS A 78 2.175 14.316 -13.438 1.00 0.00 C ATOM 1201 CE LYS A 78 3.112 13.326 -14.152 1.00 0.00 C ATOM 1202 NZ LYS A 78 3.894 13.973 -15.224 1.00 0.00 N ATOM 0 H LYS A 78 3.387 11.366 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 78 1.477 13.559 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.256 13.643 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.703 12.069 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.705 12.920 -12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.801 14.390 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.484 14.748 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.761 15.138 -13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.793 12.883 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.524 12.512 -14.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.511 13.269 -15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.247 14.373 -15.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.476 14.733 -14.818 1.00 0.00 H new ATOM 1216 N CYS A 79 0.780 10.469 -10.088 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.445 9.716 -10.303 1.00 0.00 C ATOM 1218 C CYS A 79 -1.148 9.001 -9.128 1.00 0.00 C ATOM 1219 O CYS A 79 -2.116 9.553 -8.599 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.528 8.977 -11.665 1.00 0.00 C ATOM 1221 SG CYS A 79 0.851 7.886 -12.074 1.00 0.00 S ATOM 0 H CYS A 79 1.641 9.932 -9.987 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.121 10.569 -10.365 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.445 8.388 -11.678 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.618 9.724 -12.454 1.00 0.00 H new ATOM 0 HG CYS A 79 1.735 7.928 -11.122 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.706 7.815 -8.649 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.522 7.007 -7.811 1.00 0.00 C ATOM 1229 C PRO A 80 -1.535 7.287 -6.299 1.00 0.00 C ATOM 1230 O PRO A 80 -2.507 7.800 -5.757 1.00 0.00 O ATOM 1231 CB PRO A 80 -0.934 5.588 -8.047 1.00 0.00 C ATOM 1232 CG PRO A 80 0.162 5.750 -9.022 1.00 0.00 C ATOM 1233 CD PRO A 80 0.579 7.152 -8.832 1.00 0.00 C ATOM 0 HA PRO A 80 -2.563 7.186 -8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.565 5.160 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.697 4.910 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.980 5.057 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.176 5.565 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.230 7.273 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.121 7.539 -9.695 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.448 6.970 -5.651 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.499 6.623 -4.246 1.00 0.00 C ATOM 1243 C VAL A 81 -0.395 7.751 -3.206 1.00 0.00 C ATOM 1244 O VAL A 81 0.419 8.736 -3.363 1.00 0.00 O ATOM 1245 CB VAL A 81 0.531 5.462 -3.942 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.422 4.833 -2.558 1.00 0.00 C ATOM 1247 CG2 VAL A 81 0.442 4.395 -4.961 1.00 0.00 C ATOM 0 H VAL A 81 0.483 6.943 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.530 6.296 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 81 1.501 5.958 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.173 4.049 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.587 5.596 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.571 4.403 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.161 3.609 -4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.565 3.977 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.664 4.811 -5.944 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.231 7.557 -2.068 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.135 8.243 -0.808 1.00 0.00 C ATOM 1259 C PRO A 82 0.246 8.039 -0.372 1.00 0.00 C ATOM 1260 O PRO A 82 0.895 7.166 -0.870 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.123 7.548 0.144 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.373 6.290 -0.528 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.298 6.628 -2.001 1.00 0.00 C ATOM 0 HA PRO A 82 -1.369 9.307 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.695 7.400 1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.037 8.127 0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.632 5.539 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.350 5.885 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.100 5.744 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.231 7.060 -2.363 1.00 0.00 H new ATOM 1271 N PHE A 83 0.598 8.613 0.658 1.00 0.00 N ATOM 1272 CA PHE A 83 1.881 9.208 0.762 1.00 0.00 C ATOM 1273 C PHE A 83 3.054 8.433 0.123 1.00 0.00 C ATOM 1274 O PHE A 83 3.840 7.789 0.667 1.00 0.00 O ATOM 1275 CB PHE A 83 2.114 9.546 2.189 1.00 0.00 C ATOM 1276 CG PHE A 83 0.816 9.947 2.887 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.014 8.964 3.454 1.00 0.00 C ATOM 1278 CD2 PHE A 83 0.366 11.248 2.912 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.195 9.261 4.023 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -0.856 11.556 3.502 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.636 10.544 4.053 1.00 0.00 C ATOM 0 H PHE A 83 0.017 8.705 1.491 1.00 0.00 H new ATOM 0 HA PHE A 83 1.866 10.108 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.554 8.690 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.833 10.362 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.353 7.939 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.964 12.032 2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.799 8.473 4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.199 12.580 3.532 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.589 10.779 4.503 1.00 0.00 H new ATOM 1291 N CYS A 84 2.995 8.748 -1.075 1.00 0.00 N ATOM 1292 CA CYS A 84 3.630 8.599 -2.286 1.00 0.00 C ATOM 1293 C CYS A 84 3.400 10.014 -2.637 1.00 0.00 C ATOM 1294 O CYS A 84 3.678 10.776 -1.765 1.00 0.00 O ATOM 1295 CB CYS A 84 2.992 7.567 -3.199 1.00 0.00 C ATOM 1296 SG CYS A 84 3.912 7.220 -4.725 1.00 0.00 S ATOM 0 H CYS A 84 2.191 9.338 -1.288 1.00 0.00 H new ATOM 0 HA CYS A 84 4.650 8.218 -2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.874 6.636 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.992 7.908 -3.465 1.00 0.00 H new ATOM 0 HG CYS A 84 3.276 6.326 -5.422 1.00 0.00 H new ATOM 1302 N LEU A 85 3.111 10.387 -3.853 1.00 0.00 N ATOM 1303 CA LEU A 85 3.143 11.847 -4.400 1.00 0.00 C ATOM 1304 C LEU A 85 2.652 13.092 -3.458 1.00 0.00 C ATOM 1305 O LEU A 85 2.418 14.192 -3.947 1.00 0.00 O ATOM 1306 CB LEU A 85 2.368 11.986 -5.750 1.00 0.00 C ATOM 1307 CG LEU A 85 0.960 11.392 -5.925 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.058 10.025 -6.532 1.00 0.00 C ATOM 1309 CD2 LEU A 85 0.208 11.353 -4.609 1.00 0.00 C ATOM 0 H LEU A 85 2.830 9.714 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 85 4.224 11.962 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.293 13.052 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.997 11.548 -6.525 1.00 0.00 H new ATOM 0 HG LEU A 85 0.394 12.036 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.058 9.608 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.544 10.093 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.643 9.378 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.783 10.928 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.756 10.738 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.110 12.365 -4.216 1.00 0.00 H new ATOM 1321 N ASN A 86 2.544 12.869 -2.170 1.00 0.00 N ATOM 1322 CA ASN A 86 2.289 13.839 -1.112 1.00 0.00 C ATOM 1323 C ASN A 86 3.517 13.843 -0.139 1.00 0.00 C ATOM 1324 O ASN A 86 3.897 14.884 0.370 1.00 0.00 O ATOM 1325 CB ASN A 86 1.014 13.466 -0.335 1.00 0.00 C ATOM 1326 CG ASN A 86 0.757 14.379 0.862 1.00 0.00 C ATOM 1327 OD1 ASN A 86 1.207 14.109 1.974 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.029 15.435 0.655 1.00 0.00 N ATOM 0 H ASN A 86 2.639 11.925 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 86 2.147 14.827 -1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.158 13.510 -1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.094 12.436 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.184 16.067 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.330 15.632 -0.279 1.00 0.00 H new ATOM 1335 N ILE A 87 4.160 12.643 0.074 1.00 0.00 N ATOM 1336 CA ILE A 87 5.456 12.563 0.823 1.00 0.00 C ATOM 1337 C ILE A 87 6.502 12.961 -0.178 1.00 0.00 C ATOM 1338 O ILE A 87 7.542 13.549 0.132 1.00 0.00 O ATOM 1339 CB ILE A 87 5.803 11.086 1.447 1.00 0.00 C ATOM 1340 CG1 ILE A 87 6.015 11.210 2.965 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.089 10.414 0.817 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.809 11.715 3.730 1.00 0.00 C ATOM 0 H ILE A 87 3.809 11.744 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 87 5.407 13.211 1.698 1.00 0.00 H new ATOM 0 HB ILE A 87 4.953 10.447 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.297 10.234 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.853 11.883 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.255 9.441 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.944 10.286 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.956 11.051 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.049 11.771 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.537 12.706 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.972 11.032 3.582 1.00 0.00 H new ATOM 1354 N LYS A 88 6.164 12.680 -1.413 1.00 0.00 N ATOM 1355 CA LYS A 88 6.976 12.982 -2.524 1.00 0.00 C ATOM 1356 C LYS A 88 6.579 14.315 -3.009 1.00 0.00 C ATOM 1357 O LYS A 88 5.860 14.432 -3.975 1.00 0.00 O ATOM 1358 CB LYS A 88 6.719 12.003 -3.632 1.00 0.00 C ATOM 1359 CG LYS A 88 6.741 10.590 -3.183 1.00 0.00 C ATOM 1360 CD LYS A 88 8.129 10.141 -2.771 1.00 0.00 C ATOM 1361 CE LYS A 88 9.074 9.993 -3.939 1.00 0.00 C ATOM 1362 NZ LYS A 88 9.753 11.246 -4.356 1.00 0.00 N ATOM 0 H LYS A 88 5.287 12.221 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 88 8.026 12.943 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.750 12.219 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.469 12.141 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.057 10.467 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.378 9.950 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.543 10.861 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.056 9.188 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.833 9.254 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.518 9.598 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.509 11.461 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.443 12.029 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.783 11.127 -4.272 1.00 0.00 H new ATOM 1586 N SER B 12 6.083 -2.952 9.370 1.00 0.00 N ATOM 1587 CA SER B 12 5.254 -4.162 9.361 1.00 0.00 C ATOM 1588 C SER B 12 4.213 -4.136 8.229 1.00 0.00 C ATOM 1589 O SER B 12 3.263 -3.347 8.245 1.00 0.00 O ATOM 1590 CB SER B 12 4.524 -4.260 10.663 1.00 0.00 C ATOM 1591 OG SER B 12 5.275 -3.581 11.694 1.00 0.00 O ATOM 0 HA SER B 12 5.914 -5.016 9.206 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.533 -3.816 10.570 1.00 0.00 H new ATOM 0 HB3 SER B 12 4.381 -5.306 10.933 1.00 0.00 H new ATOM 0 HG SER B 12 5.995 -3.058 11.284 1.00 0.00 H new ATOM 1597 N PRO B 13 4.402 -4.994 7.245 1.00 0.00 N ATOM 1598 CA PRO B 13 3.541 -5.093 6.050 1.00 0.00 C ATOM 1599 C PRO B 13 2.157 -5.617 6.354 1.00 0.00 C ATOM 1600 O PRO B 13 1.214 -5.409 5.575 1.00 0.00 O ATOM 1601 CB PRO B 13 4.246 -6.160 5.246 1.00 0.00 C ATOM 1602 CG PRO B 13 5.627 -6.178 5.724 1.00 0.00 C ATOM 1603 CD PRO B 13 5.521 -5.949 7.168 1.00 0.00 C ATOM 0 HA PRO B 13 3.409 -4.120 5.578 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.772 -7.131 5.386 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.205 -5.936 4.180 1.00 0.00 H new ATOM 0 HG2 PRO B 13 6.109 -7.132 5.508 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.223 -5.403 5.242 1.00 0.00 H new ATOM 0 HD2 PRO B 13 5.310 -6.869 7.713 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.440 -5.536 7.584 1.00 0.00 H new ATOM 1611 N ASP B 14 2.054 -6.165 7.538 1.00 0.00 N ATOM 1612 CA ASP B 14 0.972 -7.070 8.009 1.00 0.00 C ATOM 1613 C ASP B 14 -0.445 -6.688 7.579 1.00 0.00 C ATOM 1614 O ASP B 14 -1.268 -7.557 7.270 1.00 0.00 O ATOM 1615 CB ASP B 14 1.046 -7.177 9.542 1.00 0.00 C ATOM 1616 CG ASP B 14 -0.045 -8.036 10.151 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.058 -9.280 10.104 1.00 0.00 O ATOM 1618 OD2 ASP B 14 -1.002 -7.480 10.742 1.00 0.00 O ATOM 0 H ASP B 14 2.753 -5.997 8.262 1.00 0.00 H new ATOM 0 HA ASP B 14 1.155 -8.029 7.524 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.016 -7.587 9.821 1.00 0.00 H new ATOM 0 HB3 ASP B 14 0.988 -6.176 9.970 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.739 -5.428 7.551 1.00 0.00 N ATOM 1624 CA ASP B 15 -2.084 -5.005 7.192 1.00 0.00 C ATOM 1625 C ASP B 15 -2.470 -5.077 5.747 1.00 0.00 C ATOM 1626 O ASP B 15 -3.302 -5.876 5.392 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.577 -3.722 7.874 1.00 0.00 C ATOM 1628 CG ASP B 15 -3.457 -4.013 9.076 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -2.912 -4.292 10.174 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -4.715 -3.999 8.935 1.00 0.00 O ATOM 0 H ASP B 15 -0.088 -4.673 7.766 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.650 -5.821 7.641 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.719 -3.128 8.189 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -3.134 -3.121 7.155 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.787 -4.360 4.902 1.00 0.00 N ATOM 1636 CA ILE B 16 -2.249 -4.024 3.595 1.00 0.00 C ATOM 1637 C ILE B 16 -2.205 -5.168 2.667 1.00 0.00 C ATOM 1638 O ILE B 16 -2.884 -5.227 1.707 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.542 -2.777 3.091 1.00 0.00 C ATOM 1640 CG1 ILE B 16 -0.156 -2.601 3.753 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -2.422 -1.599 3.404 1.00 0.00 C ATOM 1642 CD1 ILE B 16 -0.256 -1.964 5.098 1.00 0.00 C ATOM 0 H ILE B 16 -0.864 -3.983 5.115 1.00 0.00 H new ATOM 0 HA ILE B 16 -3.309 -3.777 3.653 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.371 -2.862 2.018 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.327 -3.574 3.848 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.478 -1.991 3.109 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.943 -0.684 3.055 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -3.383 -1.720 2.904 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -2.579 -1.538 4.481 1.00 0.00 H new ATOM 0 HD11 ILE B 16 0.741 -1.860 5.526 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.714 -0.980 5.001 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.868 -2.586 5.751 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.388 -6.022 3.006 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.260 -7.376 2.423 1.00 0.00 C ATOM 1656 C GLU B 17 -2.587 -8.125 2.526 1.00 0.00 C ATOM 1657 O GLU B 17 -2.988 -8.840 1.637 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.258 -8.178 3.190 1.00 0.00 C ATOM 1659 CG GLU B 17 1.050 -7.507 3.390 1.00 0.00 C ATOM 1660 CD GLU B 17 1.952 -8.352 4.206 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.525 -8.880 5.245 1.00 0.00 O ATOM 1662 OE2 GLU B 17 3.067 -8.577 3.790 1.00 0.00 O ATOM 0 H GLU B 17 -0.708 -5.852 3.747 1.00 0.00 H new ATOM 0 HA GLU B 17 -0.956 -7.257 1.383 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.678 -8.423 4.165 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.092 -9.121 2.669 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.511 -7.302 2.424 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.900 -6.546 3.882 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.266 -7.964 3.615 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.544 -8.611 3.765 1.00 0.00 C ATOM 1671 C GLN B 18 -5.552 -7.888 2.914 1.00 0.00 C ATOM 1672 O GLN B 18 -6.556 -8.462 2.444 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.991 -8.615 5.215 1.00 0.00 C ATOM 1674 CG GLN B 18 -4.108 -9.423 6.128 1.00 0.00 C ATOM 1675 CD GLN B 18 -4.493 -9.259 7.576 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -5.349 -9.976 8.094 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -3.849 -8.350 8.247 1.00 0.00 N ATOM 0 H GLN B 18 -2.968 -7.398 4.410 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.457 -9.649 3.445 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -5.025 -7.587 5.576 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -6.007 -9.006 5.270 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.170 -10.476 5.853 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.070 -9.118 5.992 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -3.146 -7.775 7.782 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -4.047 -8.212 9.238 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.238 -6.647 2.632 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.137 -5.853 1.915 1.00 0.00 C ATOM 1688 C TRP B 19 -5.870 -6.053 0.427 1.00 0.00 C ATOM 1689 O TRP B 19 -6.735 -5.965 -0.401 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.125 -4.388 2.384 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.535 -4.370 3.811 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.720 -4.523 4.831 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -7.853 -4.234 4.395 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.379 -4.612 5.961 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.679 -4.393 5.752 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -9.141 -4.010 3.925 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.706 -4.344 6.648 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -10.178 -3.953 4.819 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -9.954 -4.119 6.174 1.00 0.00 C ATOM 0 H TRP B 19 -4.366 -6.189 2.897 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.162 -6.167 2.111 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.131 -3.956 2.266 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.807 -3.788 1.782 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.644 -4.569 4.749 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -5.959 -4.818 6.868 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -9.323 -3.882 2.868 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.529 -4.481 7.705 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -11.182 -3.776 4.462 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.785 -4.068 6.862 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.628 -6.327 0.129 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.197 -6.731 -1.165 1.00 0.00 C ATOM 1712 C PHE B 20 -4.907 -8.012 -1.549 1.00 0.00 C ATOM 1713 O PHE B 20 -5.574 -8.072 -2.573 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.620 -6.838 -1.216 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.040 -8.147 -1.696 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.901 -8.449 -3.038 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.647 -9.063 -0.772 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.385 -9.660 -3.435 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.131 -10.279 -1.146 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.000 -10.579 -2.486 1.00 0.00 C ATOM 0 H PHE B 20 -3.870 -6.271 0.809 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.465 -5.981 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.247 -6.044 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.234 -6.642 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.201 -7.726 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.743 -8.829 0.278 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.282 -9.889 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.830 -10.996 -0.396 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.596 -11.533 -2.790 1.00 0.00 H new ATOM 1730 N THR B 21 -4.722 -9.041 -0.767 1.00 0.00 N ATOM 1731 CA THR B 21 -5.355 -10.261 -0.982 1.00 0.00 C ATOM 1732 C THR B 21 -5.549 -11.045 0.316 1.00 0.00 C ATOM 1733 O THR B 21 -4.610 -11.691 0.814 1.00 0.00 O ATOM 1734 CB THR B 21 -4.591 -11.115 -2.021 1.00 0.00 C ATOM 1735 OG1 THR B 21 -4.582 -10.444 -3.294 1.00 0.00 O ATOM 1736 CG2 THR B 21 -5.228 -12.461 -2.172 1.00 0.00 C ATOM 0 H THR B 21 -4.109 -9.028 0.048 1.00 0.00 H new ATOM 0 HA THR B 21 -6.344 -10.035 -1.381 1.00 0.00 H new ATOM 0 HB THR B 21 -3.568 -11.248 -1.669 1.00 0.00 H new ATOM 0 HG1 THR B 21 -5.237 -9.715 -3.284 1.00 0.00 H new ATOM 0 HG21 THR B 21 -4.675 -13.045 -2.907 1.00 0.00 H new ATOM 0 HG22 THR B 21 -5.215 -12.979 -1.213 1.00 0.00 H new ATOM 0 HG23 THR B 21 -6.259 -12.340 -2.506 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.689 -10.912 0.904 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.119 -11.898 1.855 1.00 0.00 C ATOM 1746 C GLU B 22 -7.982 -12.856 1.029 1.00 0.00 C ATOM 1747 O GLU B 22 -8.102 -12.658 -0.199 1.00 0.00 O ATOM 1748 CB GLU B 22 -7.938 -11.266 3.004 1.00 0.00 C ATOM 1749 CG GLU B 22 -9.297 -10.729 2.584 1.00 0.00 C ATOM 1750 CD GLU B 22 -10.019 -10.004 3.688 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -10.748 -10.636 4.467 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -9.881 -8.770 3.775 1.00 0.00 O ATOM 0 H GLU B 22 -7.339 -10.141 0.750 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.279 -12.395 2.340 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.081 -12.012 3.785 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -7.359 -10.453 3.442 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -9.167 -10.053 1.739 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -9.916 -11.557 2.237 1.00 0.00 H new