USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 37 SER OG : rot -113:sc= 1.19 USER MOD Set 1.2: A 79 SER OG : rot 179:sc= 0.984 USER MOD Set 2.1: A 71 SER OG : rot -120:sc= 0.298 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 176:sc= 0.611 (180deg=0) USER MOD Set 3.1: A 45 SER OG : rot 78:sc= 1.25 USER MOD Set 3.2: A 58 THR OG1 : rot 28:sc= 0.509 USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.0596 K(o=-0.31,f=-8.3!) USER MOD Set 4.2: A 56 HIS : no HD1:sc= -0.247 X(o=-0.31,f=-0.28) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 119:sc= 1.21 USER MOD Single : A 12 GLN : amide:sc= 2.75 K(o=2.8,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0278) USER MOD Single : A 17 THR OG1 : rot -83:sc= 0.805 USER MOD Single : A 22 SER OG : rot -130:sc= -0.113 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00344) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 32 THR OG1 : rot 73:sc= 0.413 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-7.5!) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0178 (180deg=-0.206) USER MOD Single : A 51 SER OG : rot 61:sc= 0.212 USER MOD Single : A 53 GLN : amide:sc= -0.493! C(o=-0.49!,f=-4.4!) USER MOD Single : A 55 MET CE :methyl 171:sc= 0 (180deg=-0.0732) USER MOD Single : A 57 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-2.3) USER MOD Single : A 64 ASN : amide:sc= 0.888 K(o=0.89,f=-0.49) USER MOD Single : A 69 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.1!) USER MOD Single : A 70 THR OG1 : rot -8:sc= 0.866 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0639) USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= 0.961 (180deg=0.245) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.122 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.745 7.650 -10.694 1.00 0.00 N ATOM 2 CA ALA A 1 16.806 7.039 -9.907 1.00 0.00 C ATOM 3 C ALA A 1 16.525 7.234 -8.416 1.00 0.00 C ATOM 4 O ALA A 1 16.504 6.272 -7.652 1.00 0.00 O ATOM 5 CB ALA A 1 18.154 7.650 -10.304 1.00 0.00 C ATOM 0 H1 ALA A 1 15.941 7.514 -11.706 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.836 7.206 -10.455 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.699 8.667 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 1 16.843 5.968 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.949 7.192 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.338 7.469 -11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.136 8.724 -10.117 1.00 0.00 H new ATOM 12 N VAL A 2 16.262 8.483 -8.017 1.00 0.00 N ATOM 13 CA VAL A 2 15.982 8.871 -6.636 1.00 0.00 C ATOM 14 C VAL A 2 14.844 8.049 -6.015 1.00 0.00 C ATOM 15 O VAL A 2 14.793 7.876 -4.801 1.00 0.00 O ATOM 16 CB VAL A 2 15.711 10.385 -6.546 1.00 0.00 C ATOM 17 CG1 VAL A 2 16.946 11.186 -6.980 1.00 0.00 C ATOM 18 CG2 VAL A 2 14.495 10.824 -7.374 1.00 0.00 C ATOM 0 H VAL A 2 16.238 9.270 -8.665 1.00 0.00 H new ATOM 0 HA VAL A 2 16.871 8.648 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 2 15.487 10.593 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.732 12.252 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 2 17.786 10.940 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.199 10.935 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.354 11.900 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.661 10.578 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.605 10.306 -7.017 1.00 0.00 H new ATOM 28 N ILE A 3 13.930 7.540 -6.846 1.00 0.00 N ATOM 29 CA ILE A 3 12.823 6.697 -6.410 1.00 0.00 C ATOM 30 C ILE A 3 13.320 5.396 -5.760 1.00 0.00 C ATOM 31 O ILE A 3 12.578 4.756 -5.021 1.00 0.00 O ATOM 32 CB ILE A 3 11.889 6.433 -7.611 1.00 0.00 C ATOM 33 CG1 ILE A 3 10.567 5.736 -7.239 1.00 0.00 C ATOM 34 CG2 ILE A 3 12.584 5.604 -8.703 1.00 0.00 C ATOM 35 CD1 ILE A 3 9.708 6.556 -6.272 1.00 0.00 C ATOM 0 H ILE A 3 13.942 7.706 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 3 12.258 7.217 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 3 11.648 7.428 -7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.997 5.542 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.787 4.768 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.893 5.440 -9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 3 13.462 6.140 -9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.890 4.643 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.791 6.011 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.262 6.727 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.459 7.514 -6.729 1.00 0.00 H new ATOM 47 N THR A 4 14.545 4.954 -6.065 1.00 0.00 N ATOM 48 CA THR A 4 15.159 3.734 -5.542 1.00 0.00 C ATOM 49 C THR A 4 14.560 2.470 -6.182 1.00 0.00 C ATOM 50 O THR A 4 15.291 1.561 -6.574 1.00 0.00 O ATOM 51 CB THR A 4 15.128 3.679 -4.000 1.00 0.00 C ATOM 52 OG1 THR A 4 15.273 4.965 -3.429 1.00 0.00 O ATOM 53 CG2 THR A 4 16.301 2.840 -3.484 1.00 0.00 C ATOM 0 H THR A 4 15.157 5.457 -6.707 1.00 0.00 H new ATOM 0 HA THR A 4 16.210 3.763 -5.828 1.00 0.00 H new ATOM 0 HB THR A 4 14.166 3.249 -3.720 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.476 5.180 -2.900 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.273 2.806 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.227 1.828 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.240 3.289 -3.808 1.00 0.00 H new ATOM 61 N GLY A 5 13.231 2.389 -6.294 1.00 0.00 N ATOM 62 CA GLY A 5 12.526 1.263 -6.887 1.00 0.00 C ATOM 63 C GLY A 5 12.451 0.136 -5.867 1.00 0.00 C ATOM 64 O GLY A 5 11.374 -0.176 -5.363 1.00 0.00 O ATOM 0 H GLY A 5 12.606 3.125 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.523 1.564 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.043 0.925 -7.785 1.00 0.00 H new ATOM 68 N ALA A 6 13.601 -0.464 -5.562 1.00 0.00 N ATOM 69 CA ALA A 6 13.726 -1.467 -4.515 1.00 0.00 C ATOM 70 C ALA A 6 13.823 -0.687 -3.209 1.00 0.00 C ATOM 71 O ALA A 6 14.527 0.320 -3.159 1.00 0.00 O ATOM 72 CB ALA A 6 14.969 -2.327 -4.753 1.00 0.00 C ATOM 0 H ALA A 6 14.478 -0.263 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 6 12.879 -2.152 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.052 -3.074 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.886 -2.827 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.856 -1.694 -4.748 1.00 0.00 H new ATOM 78 N CYS A 7 13.072 -1.079 -2.182 1.00 0.00 N ATOM 79 CA CYS A 7 13.008 -0.314 -0.943 1.00 0.00 C ATOM 80 C CYS A 7 12.948 -1.194 0.294 1.00 0.00 C ATOM 81 O CYS A 7 12.720 -2.399 0.218 1.00 0.00 O ATOM 82 CB CYS A 7 11.769 0.573 -1.007 1.00 0.00 C ATOM 83 SG CYS A 7 10.254 -0.402 -1.060 1.00 0.00 S ATOM 0 H CYS A 7 12.499 -1.923 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 7 13.920 0.276 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.748 1.232 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.823 1.210 -1.890 1.00 0.00 H new ATOM 88 N GLU A 8 13.130 -0.545 1.443 1.00 0.00 N ATOM 89 CA GLU A 8 13.016 -1.109 2.770 1.00 0.00 C ATOM 90 C GLU A 8 11.916 -0.326 3.498 1.00 0.00 C ATOM 91 O GLU A 8 10.982 -0.935 4.016 1.00 0.00 O ATOM 92 CB GLU A 8 14.363 -1.013 3.493 1.00 0.00 C ATOM 93 CG GLU A 8 15.491 -1.771 2.779 1.00 0.00 C ATOM 94 CD GLU A 8 16.842 -1.204 3.195 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.374 -1.678 4.223 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.289 -0.262 2.503 1.00 0.00 O ATOM 0 H GLU A 8 13.375 0.445 1.464 1.00 0.00 H new ATOM 0 HA GLU A 8 12.751 -2.166 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.643 0.036 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.254 -1.406 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.441 -2.832 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.369 -1.688 1.699 1.00 0.00 H new ATOM 103 N ARG A 9 12.002 1.011 3.519 1.00 0.00 N ATOM 104 CA ARG A 9 11.016 1.883 4.155 1.00 0.00 C ATOM 105 C ARG A 9 10.480 2.902 3.150 1.00 0.00 C ATOM 106 O ARG A 9 11.164 3.256 2.187 1.00 0.00 O ATOM 107 CB ARG A 9 11.601 2.633 5.361 1.00 0.00 C ATOM 108 CG ARG A 9 12.166 1.721 6.459 1.00 0.00 C ATOM 109 CD ARG A 9 13.667 1.456 6.306 1.00 0.00 C ATOM 110 NE ARG A 9 14.097 0.359 7.187 1.00 0.00 N ATOM 111 CZ ARG A 9 15.156 -0.426 6.942 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.114 -0.010 6.108 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.236 -1.637 7.503 1.00 0.00 N ATOM 0 H ARG A 9 12.772 1.521 3.087 1.00 0.00 H new ATOM 0 HA ARG A 9 10.208 1.242 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.393 3.296 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.824 3.264 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.981 2.176 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.632 0.771 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.893 1.206 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.227 2.360 6.545 1.00 0.00 H new ATOM 0 HE ARG A 9 13.557 0.185 8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.039 0.903 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.921 -0.605 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.491 -1.964 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.042 -2.233 7.316 1.00 0.00 H new ATOM 127 N ASP A 10 9.275 3.413 3.428 1.00 0.00 N ATOM 128 CA ASP A 10 8.555 4.379 2.597 1.00 0.00 C ATOM 129 C ASP A 10 9.440 5.557 2.204 1.00 0.00 C ATOM 130 O ASP A 10 9.344 6.062 1.089 1.00 0.00 O ATOM 131 CB ASP A 10 7.360 4.959 3.359 1.00 0.00 C ATOM 132 CG ASP A 10 6.162 4.046 3.519 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.140 2.908 3.005 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.230 4.510 4.206 1.00 0.00 O ATOM 0 H ASP A 10 8.758 3.155 4.268 1.00 0.00 H new ATOM 0 HA ASP A 10 8.233 3.838 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.698 5.257 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.035 5.865 2.848 1.00 0.00 H new ATOM 139 N LEU A 11 10.272 6.009 3.145 1.00 0.00 N ATOM 140 CA LEU A 11 11.187 7.130 2.985 1.00 0.00 C ATOM 141 C LEU A 11 12.013 7.028 1.697 1.00 0.00 C ATOM 142 O LEU A 11 12.295 8.043 1.067 1.00 0.00 O ATOM 143 CB LEU A 11 12.087 7.201 4.228 1.00 0.00 C ATOM 144 CG LEU A 11 13.075 8.381 4.236 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.354 9.734 4.208 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.941 8.297 5.498 1.00 0.00 C ATOM 0 H LEU A 11 10.325 5.586 4.071 1.00 0.00 H new ATOM 0 HA LEU A 11 10.610 8.050 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.456 7.266 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.651 6.271 4.306 1.00 0.00 H new ATOM 0 HG LEU A 11 13.689 8.313 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.089 10.538 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.747 9.804 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.712 9.822 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.645 9.129 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.303 8.345 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.492 7.356 5.499 1.00 0.00 H new ATOM 158 N GLN A 12 12.403 5.813 1.295 1.00 0.00 N ATOM 159 CA GLN A 12 13.206 5.610 0.091 1.00 0.00 C ATOM 160 C GLN A 12 12.387 5.804 -1.192 1.00 0.00 C ATOM 161 O GLN A 12 12.963 5.901 -2.274 1.00 0.00 O ATOM 162 CB GLN A 12 13.826 4.209 0.135 1.00 0.00 C ATOM 163 CG GLN A 12 14.837 4.096 1.285 1.00 0.00 C ATOM 164 CD GLN A 12 15.143 2.641 1.611 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.250 1.913 2.031 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.388 2.204 1.447 1.00 0.00 N ATOM 0 H GLN A 12 12.172 4.953 1.792 1.00 0.00 H new ATOM 0 HA GLN A 12 13.994 6.363 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.041 3.463 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.321 3.995 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.758 4.612 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.441 4.594 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.108 2.835 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.623 1.237 1.673 1.00 0.00 H new ATOM 175 N CYS A 13 11.057 5.842 -1.070 1.00 0.00 N ATOM 176 CA CYS A 13 10.105 5.962 -2.161 1.00 0.00 C ATOM 177 C CYS A 13 9.488 7.360 -2.142 1.00 0.00 C ATOM 178 O CYS A 13 9.751 8.182 -3.019 1.00 0.00 O ATOM 179 CB CYS A 13 9.029 4.879 -2.002 1.00 0.00 C ATOM 180 SG CYS A 13 9.644 3.189 -1.886 1.00 0.00 S ATOM 0 H CYS A 13 10.600 5.787 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 13 10.603 5.822 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.447 5.098 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.346 4.942 -2.849 1.00 0.00 H new ATOM 185 N GLY A 14 8.675 7.638 -1.121 1.00 0.00 N ATOM 186 CA GLY A 14 8.015 8.914 -0.903 1.00 0.00 C ATOM 187 C GLY A 14 6.999 9.282 -1.981 1.00 0.00 C ATOM 188 O GLY A 14 5.790 9.174 -1.783 1.00 0.00 O ATOM 0 H GLY A 14 8.454 6.951 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.511 8.890 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.771 9.697 -0.849 1.00 0.00 H new ATOM 192 N LYS A 15 7.528 9.763 -3.103 1.00 0.00 N ATOM 193 CA LYS A 15 6.836 10.291 -4.274 1.00 0.00 C ATOM 194 C LYS A 15 5.586 9.477 -4.624 1.00 0.00 C ATOM 195 O LYS A 15 5.670 8.513 -5.382 1.00 0.00 O ATOM 196 CB LYS A 15 7.840 10.359 -5.438 1.00 0.00 C ATOM 197 CG LYS A 15 7.265 10.871 -6.768 1.00 0.00 C ATOM 198 CD LYS A 15 6.642 12.269 -6.645 1.00 0.00 C ATOM 199 CE LYS A 15 6.285 12.847 -8.020 1.00 0.00 C ATOM 200 NZ LYS A 15 5.284 12.024 -8.723 1.00 0.00 N ATOM 0 H LYS A 15 8.540 9.796 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 15 6.469 11.294 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.668 11.005 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.254 9.364 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.057 10.895 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.510 10.171 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.746 12.216 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.339 12.936 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.901 13.860 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.187 12.919 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.021 12.485 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.685 11.085 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.439 11.920 -8.126 1.00 0.00 H new ATOM 214 N GLY A 16 4.437 9.864 -4.057 1.00 0.00 N ATOM 215 CA GLY A 16 3.144 9.212 -4.233 1.00 0.00 C ATOM 216 C GLY A 16 3.234 7.689 -4.128 1.00 0.00 C ATOM 217 O GLY A 16 2.515 6.978 -4.832 1.00 0.00 O ATOM 0 H GLY A 16 4.386 10.674 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.448 9.584 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.735 9.482 -5.207 1.00 0.00 H new ATOM 221 N THR A 17 4.118 7.184 -3.264 1.00 0.00 N ATOM 222 CA THR A 17 4.357 5.757 -3.122 1.00 0.00 C ATOM 223 C THR A 17 4.568 5.390 -1.652 1.00 0.00 C ATOM 224 O THR A 17 4.761 6.264 -0.809 1.00 0.00 O ATOM 225 CB THR A 17 5.627 5.388 -3.928 1.00 0.00 C ATOM 226 OG1 THR A 17 6.599 6.404 -3.774 1.00 0.00 O ATOM 227 CG2 THR A 17 5.408 5.220 -5.432 1.00 0.00 C ATOM 0 H THR A 17 4.687 7.760 -2.644 1.00 0.00 H new ATOM 0 HA THR A 17 3.492 5.208 -3.496 1.00 0.00 H new ATOM 0 HB THR A 17 5.941 4.425 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.416 7.130 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.353 4.963 -5.911 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.684 4.425 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.031 6.153 -5.851 1.00 0.00 H new ATOM 235 N CYS A 18 4.542 4.088 -1.362 1.00 0.00 N ATOM 236 CA CYS A 18 4.899 3.507 -0.076 1.00 0.00 C ATOM 237 C CYS A 18 5.747 2.270 -0.388 1.00 0.00 C ATOM 238 O CYS A 18 5.683 1.742 -1.504 1.00 0.00 O ATOM 239 CB CYS A 18 3.667 3.169 0.777 1.00 0.00 C ATOM 240 SG CYS A 18 3.213 1.423 0.787 1.00 0.00 S ATOM 0 H CYS A 18 4.260 3.386 -2.046 1.00 0.00 H new ATOM 0 HA CYS A 18 5.460 4.221 0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.853 3.488 1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.819 3.749 0.412 1.00 0.00 H new ATOM 245 N CYS A 19 6.554 1.808 0.565 1.00 0.00 N ATOM 246 CA CYS A 19 7.421 0.660 0.357 1.00 0.00 C ATOM 247 C CYS A 19 6.696 -0.633 0.718 1.00 0.00 C ATOM 248 O CYS A 19 6.617 -0.972 1.900 1.00 0.00 O ATOM 249 CB CYS A 19 8.687 0.806 1.191 1.00 0.00 C ATOM 250 SG CYS A 19 9.741 -0.622 0.929 1.00 0.00 S ATOM 0 H CYS A 19 6.622 2.219 1.496 1.00 0.00 H new ATOM 0 HA CYS A 19 7.694 0.617 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.216 1.718 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.432 0.895 2.247 1.00 0.00 H new ATOM 255 N ALA A 20 6.176 -1.361 -0.276 1.00 0.00 N ATOM 256 CA ALA A 20 5.389 -2.572 -0.053 1.00 0.00 C ATOM 257 C ALA A 20 6.140 -3.835 -0.473 1.00 0.00 C ATOM 258 O ALA A 20 7.164 -3.771 -1.149 1.00 0.00 O ATOM 259 CB ALA A 20 4.068 -2.450 -0.812 1.00 0.00 C ATOM 0 H ALA A 20 6.291 -1.123 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 20 5.197 -2.667 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.472 -3.349 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.519 -1.581 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.270 -2.333 -1.877 1.00 0.00 H new ATOM 265 N VAL A 21 5.624 -4.994 -0.060 1.00 0.00 N ATOM 266 CA VAL A 21 6.185 -6.295 -0.401 1.00 0.00 C ATOM 267 C VAL A 21 5.992 -6.549 -1.903 1.00 0.00 C ATOM 268 O VAL A 21 5.125 -5.929 -2.517 1.00 0.00 O ATOM 269 CB VAL A 21 5.491 -7.381 0.454 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.081 -8.770 0.211 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.653 -7.095 1.950 1.00 0.00 C ATOM 0 H VAL A 21 4.793 -5.052 0.529 1.00 0.00 H new ATOM 0 HA VAL A 21 7.254 -6.323 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 21 4.442 -7.359 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.562 -9.500 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.961 -9.038 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.141 -8.765 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.155 -7.875 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.713 -7.077 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.207 -6.129 2.186 1.00 0.00 H new ATOM 281 N SER A 22 6.781 -7.447 -2.508 1.00 0.00 N ATOM 282 CA SER A 22 6.610 -7.861 -3.891 1.00 0.00 C ATOM 283 C SER A 22 5.744 -9.127 -3.953 1.00 0.00 C ATOM 284 O SER A 22 5.799 -9.979 -3.068 1.00 0.00 O ATOM 285 CB SER A 22 7.988 -8.106 -4.489 1.00 0.00 C ATOM 286 OG SER A 22 8.760 -6.940 -4.335 1.00 0.00 O ATOM 0 H SER A 22 7.562 -7.906 -2.039 1.00 0.00 H new ATOM 0 HA SER A 22 6.102 -7.085 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.471 -8.947 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.901 -8.365 -5.544 1.00 0.00 H new ATOM 0 HG SER A 22 9.168 -6.702 -5.194 1.00 0.00 H new ATOM 292 N LEU A 23 4.941 -9.266 -5.010 1.00 0.00 N ATOM 293 CA LEU A 23 4.000 -10.374 -5.189 1.00 0.00 C ATOM 294 C LEU A 23 4.671 -11.744 -5.333 1.00 0.00 C ATOM 295 O LEU A 23 3.983 -12.760 -5.286 1.00 0.00 O ATOM 296 CB LEU A 23 3.127 -10.092 -6.427 1.00 0.00 C ATOM 297 CG LEU A 23 1.950 -9.123 -6.202 1.00 0.00 C ATOM 298 CD1 LEU A 23 0.917 -9.674 -5.213 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.383 -7.742 -5.716 1.00 0.00 C ATOM 0 H LEU A 23 4.926 -8.598 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 23 3.399 -10.427 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.763 -9.687 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.730 -11.039 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 23 1.499 -9.022 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.109 -8.952 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.512 -10.611 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.394 -9.851 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.504 -7.112 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.911 -7.839 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.043 -7.287 -6.454 1.00 0.00 H new ATOM 311 N TRP A 24 5.994 -11.783 -5.503 1.00 0.00 N ATOM 312 CA TRP A 24 6.725 -12.998 -5.828 1.00 0.00 C ATOM 313 C TRP A 24 7.375 -13.618 -4.590 1.00 0.00 C ATOM 314 O TRP A 24 7.100 -14.775 -4.283 1.00 0.00 O ATOM 315 CB TRP A 24 7.678 -12.676 -6.993 1.00 0.00 C ATOM 316 CG TRP A 24 7.082 -11.705 -7.981 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.617 -10.510 -8.318 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.744 -11.717 -8.575 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.699 -9.768 -9.035 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.518 -10.460 -9.205 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.657 -12.619 -8.561 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.281 -10.118 -9.772 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.435 -12.313 -9.186 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.240 -11.057 -9.778 1.00 0.00 C ATOM 0 H TRP A 24 6.590 -10.960 -5.417 1.00 0.00 H new ATOM 0 HA TRP A 24 6.056 -13.788 -6.169 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.604 -12.261 -6.595 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.939 -13.600 -7.510 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.615 -10.184 -8.064 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.872 -8.829 -9.393 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.767 -13.568 -8.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.132 -9.138 -10.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.644 -13.048 -9.210 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.293 -10.814 -10.236 1.00 0.00 H new ATOM 335 N ILE A 25 8.213 -12.876 -3.857 1.00 0.00 N ATOM 336 CA ILE A 25 8.865 -13.358 -2.665 1.00 0.00 C ATOM 337 C ILE A 25 8.991 -12.198 -1.673 1.00 0.00 C ATOM 338 O ILE A 25 9.382 -11.094 -2.055 1.00 0.00 O ATOM 339 CB ILE A 25 10.207 -13.956 -3.097 1.00 0.00 C ATOM 340 CG1 ILE A 25 10.987 -14.528 -1.918 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.094 -12.955 -3.859 1.00 0.00 C ATOM 342 CD1 ILE A 25 10.344 -15.780 -1.314 1.00 0.00 C ATOM 0 H ILE A 25 8.451 -11.912 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 25 8.302 -14.138 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 25 9.950 -14.766 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.999 -14.769 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.075 -13.765 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.031 -13.438 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.576 -12.621 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.304 -12.096 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.950 -16.134 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.342 -15.539 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.281 -16.559 -2.074 1.00 0.00 H new ATOM 354 N LYS A 26 8.661 -12.460 -0.402 1.00 0.00 N ATOM 355 CA LYS A 26 8.662 -11.478 0.681 1.00 0.00 C ATOM 356 C LYS A 26 9.989 -10.711 0.755 1.00 0.00 C ATOM 357 O LYS A 26 10.018 -9.520 1.054 1.00 0.00 O ATOM 358 CB LYS A 26 8.342 -12.184 2.013 1.00 0.00 C ATOM 359 CG LYS A 26 7.503 -11.352 3.000 1.00 0.00 C ATOM 360 CD LYS A 26 8.141 -10.013 3.395 1.00 0.00 C ATOM 361 CE LYS A 26 7.393 -9.379 4.574 1.00 0.00 C ATOM 362 NZ LYS A 26 7.951 -8.058 4.919 1.00 0.00 N ATOM 0 H LYS A 26 8.378 -13.390 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 26 7.889 -10.736 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.811 -13.111 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.279 -12.459 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.526 -11.159 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.333 -11.941 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.186 -10.168 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.128 -9.334 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.337 -9.275 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.452 -10.038 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.504 -7.709 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.977 -8.142 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.766 -7.390 4.144 1.00 0.00 H new ATOM 376 N SER A 27 11.093 -11.413 0.489 1.00 0.00 N ATOM 377 CA SER A 27 12.441 -10.871 0.524 1.00 0.00 C ATOM 378 C SER A 27 12.595 -9.606 -0.326 1.00 0.00 C ATOM 379 O SER A 27 13.385 -8.734 0.032 1.00 0.00 O ATOM 380 CB SER A 27 13.426 -11.957 0.078 1.00 0.00 C ATOM 381 OG SER A 27 13.160 -12.346 -1.253 1.00 0.00 O ATOM 0 H SER A 27 11.066 -12.401 0.237 1.00 0.00 H new ATOM 0 HA SER A 27 12.658 -10.570 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.448 -11.585 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.349 -12.821 0.738 1.00 0.00 H new ATOM 0 HG SER A 27 13.798 -13.039 -1.525 1.00 0.00 H new ATOM 387 N VAL A 28 11.858 -9.496 -1.437 1.00 0.00 N ATOM 388 CA VAL A 28 11.940 -8.345 -2.322 1.00 0.00 C ATOM 389 C VAL A 28 10.766 -7.424 -1.990 1.00 0.00 C ATOM 390 O VAL A 28 9.611 -7.852 -1.936 1.00 0.00 O ATOM 391 CB VAL A 28 11.957 -8.801 -3.793 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.103 -7.602 -4.740 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.138 -9.745 -4.059 1.00 0.00 C ATOM 0 H VAL A 28 11.191 -10.205 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 28 12.868 -7.792 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 28 11.012 -9.313 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.112 -7.953 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.265 -6.920 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.036 -7.081 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.129 -10.054 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.073 -9.229 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.052 -10.624 -3.420 1.00 0.00 H new ATOM 403 N ARG A 29 11.056 -6.141 -1.762 1.00 0.00 N ATOM 404 CA ARG A 29 10.076 -5.131 -1.397 1.00 0.00 C ATOM 405 C ARG A 29 10.331 -3.911 -2.289 1.00 0.00 C ATOM 406 O ARG A 29 11.490 -3.542 -2.503 1.00 0.00 O ATOM 407 CB ARG A 29 10.168 -4.859 0.112 1.00 0.00 C ATOM 408 CG ARG A 29 10.127 -6.176 0.922 1.00 0.00 C ATOM 409 CD ARG A 29 10.041 -6.012 2.444 1.00 0.00 C ATOM 410 NE ARG A 29 8.872 -5.216 2.844 1.00 0.00 N ATOM 411 CZ ARG A 29 8.843 -3.882 2.910 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.972 -3.176 2.836 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.665 -3.273 3.026 1.00 0.00 N ATOM 0 H ARG A 29 12.005 -5.773 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 29 9.047 -5.449 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.091 -4.323 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.344 -4.215 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.270 -6.761 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.020 -6.755 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.989 -6.995 2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.949 -5.532 2.809 1.00 0.00 H new ATOM 0 HE ARG A 29 8.020 -5.719 3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.866 -3.654 2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.941 -2.158 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.807 -3.824 3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.620 -2.255 3.078 1.00 0.00 H new ATOM 427 N VAL A 30 9.269 -3.335 -2.865 1.00 0.00 N ATOM 428 CA VAL A 30 9.365 -2.297 -3.884 1.00 0.00 C ATOM 429 C VAL A 30 8.414 -1.116 -3.650 1.00 0.00 C ATOM 430 O VAL A 30 7.356 -1.233 -3.018 1.00 0.00 O ATOM 431 CB VAL A 30 9.126 -2.913 -5.279 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.162 -3.993 -5.615 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.721 -3.519 -5.418 1.00 0.00 C ATOM 0 H VAL A 30 8.308 -3.584 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 30 10.373 -1.888 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 30 9.226 -2.086 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.956 -4.399 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.160 -3.556 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.107 -4.792 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.603 -3.939 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.589 -4.306 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.973 -2.742 -5.260 1.00 0.00 H new ATOM 443 N CYS A 31 8.817 0.038 -4.187 1.00 0.00 N ATOM 444 CA CYS A 31 8.069 1.283 -4.136 1.00 0.00 C ATOM 445 C CYS A 31 6.789 1.108 -4.933 1.00 0.00 C ATOM 446 O CYS A 31 6.811 1.107 -6.162 1.00 0.00 O ATOM 447 CB CYS A 31 8.891 2.438 -4.716 1.00 0.00 C ATOM 448 SG CYS A 31 10.381 2.861 -3.795 1.00 0.00 S ATOM 0 H CYS A 31 9.703 0.128 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 31 7.839 1.524 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.175 2.183 -5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.256 3.322 -4.773 1.00 0.00 H new ATOM 453 N THR A 32 5.674 0.961 -4.227 1.00 0.00 N ATOM 454 CA THR A 32 4.371 0.727 -4.814 1.00 0.00 C ATOM 455 C THR A 32 3.554 2.023 -4.678 1.00 0.00 C ATOM 456 O THR A 32 3.620 2.658 -3.625 1.00 0.00 O ATOM 457 CB THR A 32 3.777 -0.488 -4.096 1.00 0.00 C ATOM 458 OG1 THR A 32 4.680 -1.571 -4.238 1.00 0.00 O ATOM 459 CG2 THR A 32 2.415 -0.898 -4.657 1.00 0.00 C ATOM 0 H THR A 32 5.656 1.003 -3.208 1.00 0.00 H new ATOM 0 HA THR A 32 4.392 0.494 -5.879 1.00 0.00 H new ATOM 0 HB THR A 32 3.627 -0.221 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.464 -1.419 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.042 -1.764 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.713 -0.071 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.517 -1.152 -5.712 1.00 0.00 H new ATOM 467 N PRO A 33 2.856 2.490 -5.730 1.00 0.00 N ATOM 468 CA PRO A 33 2.061 3.712 -5.671 1.00 0.00 C ATOM 469 C PRO A 33 0.976 3.685 -4.597 1.00 0.00 C ATOM 470 O PRO A 33 0.523 2.611 -4.201 1.00 0.00 O ATOM 471 CB PRO A 33 1.411 3.848 -7.051 1.00 0.00 C ATOM 472 CG PRO A 33 2.386 3.123 -7.973 1.00 0.00 C ATOM 473 CD PRO A 33 2.898 1.983 -7.094 1.00 0.00 C ATOM 0 HA PRO A 33 2.707 4.551 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.421 3.393 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.289 4.893 -7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.893 2.751 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.195 3.776 -8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.275 1.095 -7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.912 1.697 -7.375 1.00 0.00 H new ATOM 481 N VAL A 34 0.542 4.866 -4.137 1.00 0.00 N ATOM 482 CA VAL A 34 -0.639 4.940 -3.276 1.00 0.00 C ATOM 483 C VAL A 34 -1.822 4.316 -4.033 1.00 0.00 C ATOM 484 O VAL A 34 -1.951 4.458 -5.251 1.00 0.00 O ATOM 485 CB VAL A 34 -1.017 6.381 -2.867 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.402 6.872 -1.551 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.666 7.381 -3.964 1.00 0.00 C ATOM 0 H VAL A 34 0.982 5.763 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.405 4.403 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.095 6.328 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.729 7.893 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.724 6.225 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.685 6.847 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.945 8.385 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.406 7.347 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.208 7.127 -4.875 1.00 0.00 H new ATOM 497 N GLY A 35 -2.700 3.636 -3.303 1.00 0.00 N ATOM 498 CA GLY A 35 -3.886 3.012 -3.863 1.00 0.00 C ATOM 499 C GLY A 35 -4.822 4.081 -4.432 1.00 0.00 C ATOM 500 O GLY A 35 -4.991 5.140 -3.828 1.00 0.00 O ATOM 0 H GLY A 35 -2.604 3.503 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.602 2.311 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.402 2.437 -3.094 1.00 0.00 H new ATOM 504 N THR A 36 -5.415 3.810 -5.595 1.00 0.00 N ATOM 505 CA THR A 36 -6.347 4.689 -6.291 1.00 0.00 C ATOM 506 C THR A 36 -7.757 4.083 -6.214 1.00 0.00 C ATOM 507 O THR A 36 -7.903 2.893 -5.927 1.00 0.00 O ATOM 508 CB THR A 36 -5.851 4.865 -7.736 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.509 5.308 -7.709 1.00 0.00 O ATOM 510 CG2 THR A 36 -6.658 5.893 -8.535 1.00 0.00 C ATOM 0 H THR A 36 -5.251 2.937 -6.096 1.00 0.00 H new ATOM 0 HA THR A 36 -6.396 5.676 -5.830 1.00 0.00 H new ATOM 0 HB THR A 36 -5.962 3.896 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.183 5.421 -8.626 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.254 5.967 -9.545 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.701 5.579 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.594 6.865 -8.046 1.00 0.00 H new ATOM 518 N SER A 37 -8.797 4.893 -6.443 1.00 0.00 N ATOM 519 CA SER A 37 -10.190 4.471 -6.423 1.00 0.00 C ATOM 520 C SER A 37 -10.394 3.152 -7.177 1.00 0.00 C ATOM 521 O SER A 37 -10.051 3.058 -8.353 1.00 0.00 O ATOM 522 CB SER A 37 -11.037 5.571 -7.070 1.00 0.00 C ATOM 523 OG SER A 37 -10.717 6.827 -6.503 1.00 0.00 O ATOM 0 H SER A 37 -8.683 5.885 -6.652 1.00 0.00 H new ATOM 0 HA SER A 37 -10.492 4.306 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.859 5.593 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.096 5.357 -6.926 1.00 0.00 H new ATOM 0 HG SER A 37 -11.487 7.164 -5.999 1.00 0.00 H new ATOM 529 N GLY A 38 -10.948 2.145 -6.501 1.00 0.00 N ATOM 530 CA GLY A 38 -11.235 0.839 -7.068 1.00 0.00 C ATOM 531 C GLY A 38 -10.113 -0.174 -6.842 1.00 0.00 C ATOM 532 O GLY A 38 -10.346 -1.371 -7.010 1.00 0.00 O ATOM 0 H GLY A 38 -11.214 2.223 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.157 0.455 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.410 0.945 -8.139 1.00 0.00 H new ATOM 536 N GLU A 39 -8.905 0.261 -6.466 1.00 0.00 N ATOM 537 CA GLU A 39 -7.803 -0.668 -6.262 1.00 0.00 C ATOM 538 C GLU A 39 -7.908 -1.339 -4.894 1.00 0.00 C ATOM 539 O GLU A 39 -8.575 -0.837 -3.985 1.00 0.00 O ATOM 540 CB GLU A 39 -6.456 0.041 -6.438 1.00 0.00 C ATOM 541 CG GLU A 39 -6.316 0.595 -7.863 1.00 0.00 C ATOM 542 CD GLU A 39 -4.911 1.124 -8.128 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.406 1.850 -7.245 1.00 0.00 O ATOM 544 OE2 GLU A 39 -4.370 0.799 -9.207 1.00 0.00 O ATOM 0 H GLU A 39 -8.673 1.240 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.866 -1.450 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.370 0.854 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.643 -0.655 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.551 -0.189 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.041 1.395 -8.015 1.00 0.00 H new ATOM 551 N ASP A 40 -7.249 -2.495 -4.772 1.00 0.00 N ATOM 552 CA ASP A 40 -7.202 -3.274 -3.548 1.00 0.00 C ATOM 553 C ASP A 40 -6.461 -2.509 -2.456 1.00 0.00 C ATOM 554 O ASP A 40 -5.610 -1.667 -2.739 1.00 0.00 O ATOM 555 CB ASP A 40 -6.561 -4.639 -3.813 1.00 0.00 C ATOM 556 CG ASP A 40 -7.456 -5.507 -4.690 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.397 -5.310 -5.924 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.201 -6.330 -4.115 1.00 0.00 O ATOM 0 H ASP A 40 -6.726 -2.917 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.220 -3.445 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.595 -4.502 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.373 -5.146 -2.866 1.00 0.00 H new ATOM 563 N CYS A 41 -6.789 -2.814 -1.202 1.00 0.00 N ATOM 564 CA CYS A 41 -6.213 -2.189 -0.023 1.00 0.00 C ATOM 565 C CYS A 41 -6.228 -3.193 1.121 1.00 0.00 C ATOM 566 O CYS A 41 -6.729 -4.306 0.968 1.00 0.00 O ATOM 567 CB CYS A 41 -7.024 -0.942 0.347 1.00 0.00 C ATOM 568 SG CYS A 41 -8.692 -1.292 0.953 1.00 0.00 S ATOM 0 H CYS A 41 -7.485 -3.525 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.185 -1.886 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.482 -0.384 1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.096 -0.297 -0.529 1.00 0.00 H new ATOM 573 N HIS A 42 -5.673 -2.795 2.264 1.00 0.00 N ATOM 574 CA HIS A 42 -5.630 -3.589 3.480 1.00 0.00 C ATOM 575 C HIS A 42 -5.912 -2.612 4.620 1.00 0.00 C ATOM 576 O HIS A 42 -5.305 -1.538 4.634 1.00 0.00 O ATOM 577 CB HIS A 42 -4.244 -4.235 3.606 1.00 0.00 C ATOM 578 CG HIS A 42 -4.105 -5.201 4.751 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.388 -4.833 6.065 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.698 -6.509 4.736 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.166 -5.938 6.783 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.757 -6.973 6.033 1.00 0.00 N ATOM 0 H HIS A 42 -5.229 -1.883 2.368 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.360 -4.399 3.489 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.015 -4.758 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.499 -3.447 3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.388 -7.073 3.868 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.301 -5.992 7.853 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.534 -7.914 6.357 1.00 0.00 H new ATOM 590 N PRO A 43 -6.813 -2.920 5.565 1.00 0.00 N ATOM 591 CA PRO A 43 -7.145 -2.002 6.644 1.00 0.00 C ATOM 592 C PRO A 43 -5.924 -1.589 7.476 1.00 0.00 C ATOM 593 O PRO A 43 -5.958 -0.532 8.100 1.00 0.00 O ATOM 594 CB PRO A 43 -8.199 -2.722 7.492 1.00 0.00 C ATOM 595 CG PRO A 43 -7.956 -4.200 7.185 1.00 0.00 C ATOM 596 CD PRO A 43 -7.542 -4.169 5.716 1.00 0.00 C ATOM 0 HA PRO A 43 -7.525 -1.062 6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.075 -2.507 8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.210 -2.417 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.176 -4.623 7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.853 -4.800 7.341 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.917 -5.025 5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.411 -4.202 5.059 1.00 0.00 H new ATOM 604 N ALA A 44 -4.839 -2.376 7.470 1.00 0.00 N ATOM 605 CA ALA A 44 -3.629 -2.066 8.220 1.00 0.00 C ATOM 606 C ALA A 44 -2.563 -1.422 7.327 1.00 0.00 C ATOM 607 O ALA A 44 -1.376 -1.495 7.645 1.00 0.00 O ATOM 608 CB ALA A 44 -3.096 -3.337 8.887 1.00 0.00 C ATOM 0 H ALA A 44 -4.783 -3.246 6.941 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.878 -1.339 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.191 -3.102 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.850 -3.735 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.867 -4.080 8.123 1.00 0.00 H new ATOM 614 N SER A 45 -2.958 -0.783 6.217 1.00 0.00 N ATOM 615 CA SER A 45 -2.035 -0.040 5.378 1.00 0.00 C ATOM 616 C SER A 45 -1.555 1.191 6.156 1.00 0.00 C ATOM 617 O SER A 45 -2.119 2.274 6.028 1.00 0.00 O ATOM 618 CB SER A 45 -2.732 0.353 4.076 1.00 0.00 C ATOM 619 OG SER A 45 -3.059 -0.794 3.321 1.00 0.00 O ATOM 0 H SER A 45 -3.922 -0.772 5.885 1.00 0.00 H new ATOM 0 HA SER A 45 -1.169 -0.649 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.637 0.919 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.083 1.006 3.493 1.00 0.00 H new ATOM 0 HG SER A 45 -3.858 -1.217 3.699 1.00 0.00 H new ATOM 625 N HIS A 46 -0.508 0.994 6.961 1.00 0.00 N ATOM 626 CA HIS A 46 0.132 1.959 7.858 1.00 0.00 C ATOM 627 C HIS A 46 0.255 3.352 7.253 1.00 0.00 C ATOM 628 O HIS A 46 0.515 3.474 6.056 1.00 0.00 O ATOM 629 CB HIS A 46 1.550 1.494 8.239 1.00 0.00 C ATOM 630 CG HIS A 46 1.747 0.015 8.196 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.990 -0.682 7.009 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.533 -0.859 9.211 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.944 -1.969 7.380 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.675 -2.128 8.689 1.00 0.00 N ATOM 0 H HIS A 46 -0.050 0.084 7.006 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.516 2.012 8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.266 1.963 7.565 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.778 1.849 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.296 -0.609 10.235 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.106 -2.792 6.700 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.593 -3.010 9.194 1.00 0.00 H new ATOM 642 N LYS A 47 0.169 4.385 8.091 1.00 0.00 N ATOM 643 CA LYS A 47 0.325 5.771 7.653 1.00 0.00 C ATOM 644 C LYS A 47 1.656 5.985 6.911 1.00 0.00 C ATOM 645 O LYS A 47 2.545 5.135 6.954 1.00 0.00 O ATOM 646 CB LYS A 47 0.221 6.716 8.859 1.00 0.00 C ATOM 647 CG LYS A 47 -1.153 6.699 9.543 1.00 0.00 C ATOM 648 CD LYS A 47 -2.264 7.176 8.594 1.00 0.00 C ATOM 649 CE LYS A 47 -3.585 7.430 9.333 1.00 0.00 C ATOM 650 NZ LYS A 47 -3.495 8.571 10.262 1.00 0.00 N ATOM 0 H LYS A 47 -0.010 4.285 9.090 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.478 5.996 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.983 6.443 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.441 7.732 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.376 5.689 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.129 7.338 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.946 8.092 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.422 6.428 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.375 7.617 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.867 6.535 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.452 8.866 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.957 8.290 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.013 9.364 9.792 1.00 0.00 H new ATOM 664 N ILE A 48 1.779 7.110 6.201 1.00 0.00 N ATOM 665 CA ILE A 48 2.979 7.481 5.453 1.00 0.00 C ATOM 666 C ILE A 48 3.647 8.633 6.214 1.00 0.00 C ATOM 667 O ILE A 48 2.930 9.528 6.660 1.00 0.00 O ATOM 668 CB ILE A 48 2.602 7.918 4.018 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.798 6.809 3.316 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.849 8.271 3.189 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.483 7.103 1.846 1.00 0.00 C ATOM 0 H ILE A 48 1.032 7.800 6.130 1.00 0.00 H new ATOM 0 HA ILE A 48 3.661 6.635 5.366 1.00 0.00 H new ATOM 0 HB ILE A 48 1.986 8.814 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.357 5.875 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.862 6.657 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.546 8.573 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.385 9.090 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.501 7.400 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.915 6.275 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.896 8.019 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.414 7.225 1.292 1.00 0.00 H new ATOM 683 N PRO A 49 4.984 8.670 6.350 1.00 0.00 N ATOM 684 CA PRO A 49 5.937 7.643 5.958 1.00 0.00 C ATOM 685 C PRO A 49 6.036 6.571 7.048 1.00 0.00 C ATOM 686 O PRO A 49 6.122 6.893 8.232 1.00 0.00 O ATOM 687 CB PRO A 49 7.266 8.389 5.807 1.00 0.00 C ATOM 688 CG PRO A 49 7.169 9.495 6.860 1.00 0.00 C ATOM 689 CD PRO A 49 5.677 9.835 6.877 1.00 0.00 C ATOM 0 HA PRO A 49 5.649 7.130 5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.118 7.734 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.386 8.798 4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.515 9.153 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.776 10.360 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.342 10.061 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.473 10.716 6.269 1.00 0.00 H new ATOM 697 N PHE A 50 6.067 5.297 6.655 1.00 0.00 N ATOM 698 CA PHE A 50 6.203 4.180 7.573 1.00 0.00 C ATOM 699 C PHE A 50 7.666 3.751 7.586 1.00 0.00 C ATOM 700 O PHE A 50 8.157 3.109 6.653 1.00 0.00 O ATOM 701 CB PHE A 50 5.302 3.024 7.136 1.00 0.00 C ATOM 702 CG PHE A 50 5.309 1.841 8.084 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.653 1.928 9.325 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.975 0.654 7.731 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.602 0.810 10.176 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.902 -0.473 8.569 1.00 0.00 C ATOM 707 CZ PHE A 50 5.211 -0.396 9.789 1.00 0.00 C ATOM 0 H PHE A 50 5.997 5.015 5.677 1.00 0.00 H new ATOM 0 HA PHE A 50 5.898 4.476 8.577 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.280 3.391 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.616 2.686 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.188 2.855 9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.544 0.608 6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.095 0.878 11.127 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.377 -1.397 8.274 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.148 -1.263 10.430 1.00 0.00 H new ATOM 717 N SER A 51 8.376 4.125 8.650 1.00 0.00 N ATOM 718 CA SER A 51 9.771 3.791 8.852 1.00 0.00 C ATOM 719 C SER A 51 9.883 2.326 9.283 1.00 0.00 C ATOM 720 O SER A 51 10.283 2.049 10.413 1.00 0.00 O ATOM 721 CB SER A 51 10.329 4.744 9.914 1.00 0.00 C ATOM 722 OG SER A 51 9.491 4.701 11.052 1.00 0.00 O ATOM 0 H SER A 51 7.981 4.681 9.408 1.00 0.00 H new ATOM 0 HA SER A 51 10.348 3.905 7.935 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.345 4.456 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.379 5.759 9.521 1.00 0.00 H new ATOM 0 HG SER A 51 9.473 3.789 11.411 1.00 0.00 H new ATOM 728 N GLY A 52 9.520 1.390 8.403 1.00 0.00 N ATOM 729 CA GLY A 52 9.587 -0.029 8.700 1.00 0.00 C ATOM 730 C GLY A 52 9.237 -0.853 7.468 1.00 0.00 C ATOM 731 O GLY A 52 8.843 -0.311 6.436 1.00 0.00 O ATOM 0 H GLY A 52 9.173 1.602 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.589 -0.287 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.900 -0.269 9.511 1.00 0.00 H new ATOM 735 N GLN A 53 9.385 -2.173 7.585 1.00 0.00 N ATOM 736 CA GLN A 53 9.103 -3.116 6.516 1.00 0.00 C ATOM 737 C GLN A 53 7.613 -3.455 6.558 1.00 0.00 C ATOM 738 O GLN A 53 7.198 -4.300 7.347 1.00 0.00 O ATOM 739 CB GLN A 53 9.966 -4.377 6.700 1.00 0.00 C ATOM 740 CG GLN A 53 11.417 -4.240 6.210 1.00 0.00 C ATOM 741 CD GLN A 53 12.207 -3.110 6.866 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.938 -3.309 7.831 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.099 -1.904 6.326 1.00 0.00 N ATOM 0 H GLN A 53 9.710 -2.619 8.443 1.00 0.00 H new ATOM 0 HA GLN A 53 9.345 -2.685 5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.977 -4.642 7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.494 -5.204 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.937 -5.181 6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.409 -4.081 5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.486 -1.757 5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.629 -1.123 6.713 1.00 0.00 H new ATOM 752 N ARG A 54 6.799 -2.779 5.741 1.00 0.00 N ATOM 753 CA ARG A 54 5.376 -3.077 5.636 1.00 0.00 C ATOM 754 C ARG A 54 5.227 -4.550 5.262 1.00 0.00 C ATOM 755 O ARG A 54 5.840 -4.997 4.294 1.00 0.00 O ATOM 756 CB ARG A 54 4.701 -2.220 4.558 1.00 0.00 C ATOM 757 CG ARG A 54 4.807 -0.722 4.840 1.00 0.00 C ATOM 758 CD ARG A 54 4.072 0.051 3.745 1.00 0.00 C ATOM 759 NE ARG A 54 4.017 1.488 4.040 1.00 0.00 N ATOM 760 CZ ARG A 54 2.964 2.090 4.612 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.954 1.366 5.098 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.905 3.415 4.719 1.00 0.00 N ATOM 0 H ARG A 54 7.110 -2.016 5.140 1.00 0.00 H new ATOM 0 HA ARG A 54 4.898 -2.857 6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.156 -2.436 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.650 -2.498 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.377 -0.492 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.854 -0.420 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.573 -0.106 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.059 -0.339 3.641 1.00 0.00 H new ATOM 0 HE ARG A 54 4.825 2.061 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.980 0.348 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.156 1.830 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.669 3.990 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.096 3.856 5.157 1.00 0.00 H new ATOM 776 N MET A 55 4.396 -5.292 5.991 1.00 0.00 N ATOM 777 CA MET A 55 4.214 -6.721 5.792 1.00 0.00 C ATOM 778 C MET A 55 3.084 -7.006 4.796 1.00 0.00 C ATOM 779 O MET A 55 2.403 -8.021 4.921 1.00 0.00 O ATOM 780 CB MET A 55 3.943 -7.388 7.153 1.00 0.00 C ATOM 781 CG MET A 55 4.964 -7.012 8.242 1.00 0.00 C ATOM 782 SD MET A 55 4.691 -5.456 9.142 1.00 0.00 S ATOM 783 CE MET A 55 3.231 -5.881 10.119 1.00 0.00 C ATOM 0 H MET A 55 3.825 -4.909 6.745 1.00 0.00 H new ATOM 0 HA MET A 55 5.124 -7.141 5.363 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.945 -7.109 7.492 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.945 -8.470 7.024 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.993 -7.822 8.971 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.949 -6.965 7.778 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.033 -5.089 10.841 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.371 -5.993 9.459 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.407 -6.818 10.647 1.00 0.00 H new ATOM 793 N HIS A 56 2.875 -6.127 3.808 1.00 0.00 N ATOM 794 CA HIS A 56 1.797 -6.256 2.837 1.00 0.00 C ATOM 795 C HIS A 56 2.234 -5.709 1.480 1.00 0.00 C ATOM 796 O HIS A 56 3.153 -4.895 1.396 1.00 0.00 O ATOM 797 CB HIS A 56 0.554 -5.478 3.308 1.00 0.00 C ATOM 798 CG HIS A 56 0.130 -5.723 4.732 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.218 -4.721 5.699 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.371 -6.856 5.314 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.235 -5.287 6.820 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.575 -6.574 6.649 1.00 0.00 N ATOM 0 H HIS A 56 3.457 -5.302 3.664 1.00 0.00 H new ATOM 0 HA HIS A 56 1.553 -7.314 2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.747 -4.412 3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.279 -5.730 2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.570 -7.796 4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.319 -4.766 7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.916 -7.216 7.364 1.00 0.00 H new ATOM 810 N HIS A 57 1.555 -6.155 0.420 1.00 0.00 N ATOM 811 CA HIS A 57 1.729 -5.676 -0.950 1.00 0.00 C ATOM 812 C HIS A 57 0.960 -4.378 -1.172 1.00 0.00 C ATOM 813 O HIS A 57 1.132 -3.709 -2.187 1.00 0.00 O ATOM 814 CB HIS A 57 1.147 -6.706 -1.915 1.00 0.00 C ATOM 815 CG HIS A 57 1.832 -8.022 -1.775 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.273 -9.056 -1.038 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.072 -8.392 -2.201 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.196 -10.016 -1.089 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.298 -9.674 -1.771 1.00 0.00 N ATOM 0 H HIS A 57 0.846 -6.884 0.497 1.00 0.00 H new ATOM 0 HA HIS A 57 2.794 -5.516 -1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.081 -6.826 -1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.249 -6.347 -2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.755 -7.784 -2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.068 -10.982 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.127 -10.245 -1.935 1.00 0.00 H new ATOM 827 N THR A 58 0.088 -4.036 -0.226 1.00 0.00 N ATOM 828 CA THR A 58 -0.853 -2.957 -0.353 1.00 0.00 C ATOM 829 C THR A 58 -0.332 -1.713 0.349 1.00 0.00 C ATOM 830 O THR A 58 0.098 -1.776 1.500 1.00 0.00 O ATOM 831 CB THR A 58 -2.145 -3.434 0.306 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.858 -3.802 1.642 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.694 -4.684 -0.400 1.00 0.00 C ATOM 0 H THR A 58 0.025 -4.523 0.668 1.00 0.00 H new ATOM 0 HA THR A 58 -1.014 -2.696 -1.399 1.00 0.00 H new ATOM 0 HB THR A 58 -2.877 -2.629 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.088 -3.289 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.614 -5.003 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.900 -4.451 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.957 -5.486 -0.346 1.00 0.00 H new ATOM 841 N CYS A 59 -0.410 -0.589 -0.354 1.00 0.00 N ATOM 842 CA CYS A 59 -0.013 0.717 0.140 1.00 0.00 C ATOM 843 C CYS A 59 -1.262 1.466 0.558 1.00 0.00 C ATOM 844 O CYS A 59 -2.360 1.107 0.131 1.00 0.00 O ATOM 845 CB CYS A 59 0.707 1.503 -0.961 1.00 0.00 C ATOM 846 SG CYS A 59 2.457 1.120 -1.118 1.00 0.00 S ATOM 0 H CYS A 59 -0.762 -0.564 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 59 0.665 0.601 0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.216 1.304 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.597 2.569 -0.762 1.00 0.00 H new ATOM 851 N PRO A 60 -1.113 2.498 1.400 1.00 0.00 N ATOM 852 CA PRO A 60 -2.221 3.361 1.745 1.00 0.00 C ATOM 853 C PRO A 60 -2.814 3.938 0.474 1.00 0.00 C ATOM 854 O PRO A 60 -2.176 3.982 -0.577 1.00 0.00 O ATOM 855 CB PRO A 60 -1.661 4.471 2.628 1.00 0.00 C ATOM 856 CG PRO A 60 -0.428 3.804 3.211 1.00 0.00 C ATOM 857 CD PRO A 60 0.095 2.939 2.069 1.00 0.00 C ATOM 0 HA PRO A 60 -3.007 2.819 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.412 5.364 2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.367 4.775 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.312 4.539 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.675 3.203 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.741 3.506 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.680 2.097 2.438 1.00 0.00 H new ATOM 865 N CYS A 61 -4.044 4.397 0.594 1.00 0.00 N ATOM 866 CA CYS A 61 -4.796 4.916 -0.528 1.00 0.00 C ATOM 867 C CYS A 61 -4.675 6.427 -0.554 1.00 0.00 C ATOM 868 O CYS A 61 -4.368 7.037 0.470 1.00 0.00 O ATOM 869 CB CYS A 61 -6.225 4.404 -0.434 1.00 0.00 C ATOM 870 SG CYS A 61 -6.305 2.610 -0.569 1.00 0.00 S ATOM 0 H CYS A 61 -4.552 4.420 1.478 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.401 4.566 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.661 4.717 0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.825 4.855 -1.224 1.00 0.00 H new ATOM 875 N ALA A 62 -4.863 7.025 -1.734 1.00 0.00 N ATOM 876 CA ALA A 62 -4.810 8.468 -1.885 1.00 0.00 C ATOM 877 C ALA A 62 -5.692 9.101 -0.796 1.00 0.00 C ATOM 878 O ALA A 62 -6.790 8.603 -0.569 1.00 0.00 O ATOM 879 CB ALA A 62 -5.262 8.859 -3.295 1.00 0.00 C ATOM 0 H ALA A 62 -5.054 6.521 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.791 8.836 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.220 9.943 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.604 8.396 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.284 8.517 -3.457 1.00 0.00 H new ATOM 885 N PRO A 63 -5.232 10.158 -0.108 1.00 0.00 N ATOM 886 CA PRO A 63 -5.917 10.814 1.003 1.00 0.00 C ATOM 887 C PRO A 63 -7.458 10.821 1.029 1.00 0.00 C ATOM 888 O PRO A 63 -8.043 10.581 2.083 1.00 0.00 O ATOM 889 CB PRO A 63 -5.314 12.216 1.041 1.00 0.00 C ATOM 890 CG PRO A 63 -3.851 11.934 0.687 1.00 0.00 C ATOM 891 CD PRO A 63 -3.930 10.779 -0.318 1.00 0.00 C ATOM 0 HA PRO A 63 -5.747 10.221 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.787 12.885 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.416 12.679 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.369 12.810 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.273 11.657 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.831 11.143 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.124 10.063 -0.155 1.00 0.00 H new ATOM 899 N ASN A 64 -8.142 11.105 -0.087 1.00 0.00 N ATOM 900 CA ASN A 64 -9.610 11.167 -0.095 1.00 0.00 C ATOM 901 C ASN A 64 -10.299 9.789 -0.111 1.00 0.00 C ATOM 902 O ASN A 64 -11.524 9.705 -0.042 1.00 0.00 O ATOM 903 CB ASN A 64 -10.097 12.027 -1.270 1.00 0.00 C ATOM 904 CG ASN A 64 -11.599 12.290 -1.155 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.034 12.943 -0.212 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.389 11.771 -2.089 1.00 0.00 N ATOM 0 H ASN A 64 -7.707 11.294 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.898 11.629 0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.556 12.973 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.881 11.522 -2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.398 11.910 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.986 11.234 -2.857 1.00 0.00 H new ATOM 913 N LEU A 65 -9.544 8.697 -0.217 1.00 0.00 N ATOM 914 CA LEU A 65 -10.090 7.351 -0.312 1.00 0.00 C ATOM 915 C LEU A 65 -10.223 6.685 1.061 1.00 0.00 C ATOM 916 O LEU A 65 -9.523 7.046 2.004 1.00 0.00 O ATOM 917 CB LEU A 65 -9.200 6.508 -1.231 1.00 0.00 C ATOM 918 CG LEU A 65 -8.887 7.160 -2.590 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.069 6.213 -3.462 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.141 7.535 -3.364 1.00 0.00 C ATOM 0 H LEU A 65 -8.525 8.726 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.094 7.421 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.261 6.301 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.686 5.548 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.327 8.068 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.857 6.691 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.131 5.975 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.633 5.296 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.860 7.990 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.734 6.640 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.730 8.244 -2.782 1.00 0.00 H new ATOM 932 N ALA A 66 -11.116 5.695 1.159 1.00 0.00 N ATOM 933 CA ALA A 66 -11.382 4.902 2.351 1.00 0.00 C ATOM 934 C ALA A 66 -11.334 3.418 1.975 1.00 0.00 C ATOM 935 O ALA A 66 -11.956 3.015 0.991 1.00 0.00 O ATOM 936 CB ALA A 66 -12.756 5.273 2.913 1.00 0.00 C ATOM 0 H ALA A 66 -11.698 5.416 0.369 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.631 5.102 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.956 4.680 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.770 6.332 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.522 5.072 2.164 1.00 0.00 H new ATOM 942 N CYS A 67 -10.590 2.622 2.753 1.00 0.00 N ATOM 943 CA CYS A 67 -10.396 1.188 2.550 1.00 0.00 C ATOM 944 C CYS A 67 -11.601 0.403 3.080 1.00 0.00 C ATOM 945 O CYS A 67 -11.698 0.164 4.282 1.00 0.00 O ATOM 946 CB CYS A 67 -9.089 0.755 3.238 1.00 0.00 C ATOM 947 SG CYS A 67 -8.629 -0.977 3.008 1.00 0.00 S ATOM 0 H CYS A 67 -10.090 2.975 3.569 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.316 0.973 1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.278 1.381 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.179 0.951 4.307 1.00 0.00 H new ATOM 952 N VAL A 68 -12.524 0.018 2.192 1.00 0.00 N ATOM 953 CA VAL A 68 -13.744 -0.723 2.507 1.00 0.00 C ATOM 954 C VAL A 68 -13.563 -2.209 2.189 1.00 0.00 C ATOM 955 O VAL A 68 -12.751 -2.587 1.347 1.00 0.00 O ATOM 956 CB VAL A 68 -14.952 -0.092 1.790 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.741 0.068 0.280 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.273 -0.833 2.034 1.00 0.00 C ATOM 0 H VAL A 68 -12.436 0.223 1.197 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.947 -0.658 3.576 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.029 0.897 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.628 0.518 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.879 0.710 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.566 -0.910 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.077 -0.330 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.186 -1.859 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.496 -0.837 3.101 1.00 0.00 H new ATOM 968 N GLN A 69 -14.315 -3.060 2.882 1.00 0.00 N ATOM 969 CA GLN A 69 -14.231 -4.510 2.737 1.00 0.00 C ATOM 970 C GLN A 69 -15.063 -4.988 1.549 1.00 0.00 C ATOM 971 O GLN A 69 -16.113 -4.413 1.270 1.00 0.00 O ATOM 972 CB GLN A 69 -14.613 -5.267 4.019 1.00 0.00 C ATOM 973 CG GLN A 69 -15.742 -4.642 4.846 1.00 0.00 C ATOM 974 CD GLN A 69 -15.291 -3.363 5.533 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.786 -2.286 5.224 1.00 0.00 O ATOM 976 NE2 GLN A 69 -14.260 -3.452 6.359 1.00 0.00 N ATOM 0 H GLN A 69 -15.007 -2.759 3.568 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.183 -4.741 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.905 -6.281 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.727 -5.348 4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.592 -4.427 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.084 -5.357 5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.873 -4.366 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.853 -2.607 6.760 1.00 0.00 H new ATOM 985 N THR A 70 -14.605 -6.042 0.864 1.00 0.00 N ATOM 986 CA THR A 70 -15.330 -6.644 -0.253 1.00 0.00 C ATOM 987 C THR A 70 -15.543 -8.142 -0.007 1.00 0.00 C ATOM 988 O THR A 70 -16.608 -8.675 -0.318 1.00 0.00 O ATOM 989 CB THR A 70 -14.644 -6.323 -1.589 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.309 -6.770 -1.612 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.643 -4.813 -1.850 1.00 0.00 C ATOM 0 H THR A 70 -13.718 -6.501 1.072 1.00 0.00 H new ATOM 0 HA THR A 70 -16.325 -6.203 -0.321 1.00 0.00 H new ATOM 0 HB THR A 70 -15.212 -6.842 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.054 -7.086 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.152 -4.609 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.670 -4.449 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.106 -4.306 -1.048 1.00 0.00 H new ATOM 999 N SER A 71 -14.552 -8.844 0.549 1.00 0.00 N ATOM 1000 CA SER A 71 -14.658 -10.245 0.949 1.00 0.00 C ATOM 1001 C SER A 71 -13.613 -10.457 2.054 1.00 0.00 C ATOM 1002 O SER A 71 -12.890 -9.510 2.363 1.00 0.00 O ATOM 1003 CB SER A 71 -14.468 -11.181 -0.260 1.00 0.00 C ATOM 1004 OG SER A 71 -15.097 -10.681 -1.426 1.00 0.00 O ATOM 0 H SER A 71 -13.633 -8.442 0.737 1.00 0.00 H new ATOM 0 HA SER A 71 -15.649 -10.486 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.403 -11.313 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.874 -12.165 -0.023 1.00 0.00 H new ATOM 0 HG SER A 71 -15.768 -11.324 -1.737 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.517 -11.638 2.688 1.00 0.00 N ATOM 1011 CA PRO A 72 -12.504 -11.893 3.703 1.00 0.00 C ATOM 1012 C PRO A 72 -11.120 -11.496 3.179 1.00 0.00 C ATOM 1013 O PRO A 72 -10.690 -12.009 2.148 1.00 0.00 O ATOM 1014 CB PRO A 72 -12.613 -13.387 4.020 1.00 0.00 C ATOM 1015 CG PRO A 72 -14.092 -13.672 3.758 1.00 0.00 C ATOM 1016 CD PRO A 72 -14.388 -12.792 2.543 1.00 0.00 C ATOM 0 HA PRO A 72 -12.653 -11.304 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.965 -13.986 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.334 -13.605 5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.271 -14.727 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.714 -13.406 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.186 -13.324 1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.436 -12.494 2.519 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.468 -10.530 3.838 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.182 -9.944 3.474 1.00 0.00 C ATOM 1026 C LYS A 73 -9.296 -9.039 2.239 1.00 0.00 C ATOM 1027 O LYS A 73 -8.740 -7.942 2.242 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.093 -11.019 3.328 1.00 0.00 C ATOM 1029 CG LYS A 73 -6.698 -10.386 3.346 1.00 0.00 C ATOM 1030 CD LYS A 73 -5.623 -11.467 3.168 1.00 0.00 C ATOM 1031 CE LYS A 73 -4.206 -10.881 3.211 1.00 0.00 C ATOM 1032 NZ LYS A 73 -3.955 -9.956 2.091 1.00 0.00 N ATOM 0 H LYS A 73 -10.850 -10.116 4.688 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.870 -9.298 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.179 -11.743 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.237 -11.565 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.616 -9.647 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.542 -9.859 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.729 -12.217 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.776 -11.977 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.060 -10.355 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.478 -11.692 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.950 -9.689 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.199 -10.422 1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.538 -9.103 2.208 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.990 -9.487 1.189 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.226 -8.723 -0.027 1.00 0.00 C ATOM 1048 C LYS A 74 -10.891 -7.395 0.349 1.00 0.00 C ATOM 1049 O LYS A 74 -12.066 -7.351 0.731 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.114 -9.542 -0.970 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.076 -9.023 -2.415 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.302 -9.509 -3.200 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.313 -11.027 -3.418 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.637 -11.479 -3.879 1.00 0.00 N ATOM 0 H LYS A 74 -10.412 -10.415 1.166 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.288 -8.511 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.792 -10.583 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.141 -9.520 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.047 -7.933 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.165 -9.366 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.207 -9.218 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.328 -9.009 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.555 -11.299 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.054 -11.534 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.604 -12.498 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.343 -11.299 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.900 -10.960 -4.741 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.155 -6.294 0.219 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.629 -4.988 0.645 1.00 0.00 C ATOM 1070 C PHE A 75 -10.214 -4.073 -0.504 1.00 0.00 C ATOM 1071 O PHE A 75 -9.182 -4.312 -1.134 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.904 -4.586 1.941 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.675 -4.523 3.249 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.859 -5.706 3.996 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.966 -3.288 3.847 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.127 -5.640 5.373 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.259 -3.217 5.218 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.296 -4.390 5.993 1.00 0.00 C ATOM 0 H PHE A 75 -9.218 -6.286 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.699 -4.950 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.080 -5.285 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.463 -3.603 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.793 -6.666 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.965 -2.388 3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.203 -6.547 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.456 -2.260 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.454 -4.331 7.060 1.00 0.00 H new ATOM 1088 N LYS A 76 -11.015 -3.053 -0.790 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.799 -2.101 -1.875 1.00 0.00 C ATOM 1090 C LYS A 76 -11.020 -0.676 -1.388 1.00 0.00 C ATOM 1091 O LYS A 76 -11.735 -0.452 -0.415 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.723 -2.403 -3.063 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.212 -3.585 -3.891 1.00 0.00 C ATOM 1094 CD LYS A 76 -12.062 -3.756 -5.155 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.435 -4.759 -6.130 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.155 -4.266 -6.672 1.00 0.00 N ATOM 0 H LYS A 76 -11.862 -2.859 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.766 -2.202 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.726 -2.621 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.800 -1.520 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.170 -3.422 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.246 -4.497 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.061 -4.093 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.177 -2.791 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.273 -5.709 -5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.127 -4.951 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.097 -4.491 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.097 -3.236 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.367 -4.723 -6.170 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.401 0.290 -2.066 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.486 1.694 -1.690 1.00 0.00 C ATOM 1112 C CYS A 77 -11.483 2.461 -2.541 1.00 0.00 C ATOM 1113 O CYS A 77 -11.362 2.454 -3.762 1.00 0.00 O ATOM 1114 CB CYS A 77 -9.104 2.341 -1.745 1.00 0.00 C ATOM 1115 SG CYS A 77 -8.284 2.230 -0.144 1.00 0.00 S ATOM 0 H CYS A 77 -9.827 0.117 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.854 1.737 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.497 1.849 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.198 3.386 -2.039 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.448 3.139 -1.908 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.425 3.977 -2.602 1.00 0.00 C ATOM 1122 C LEU A 78 -13.309 5.415 -2.110 1.00 0.00 C ATOM 1123 O LEU A 78 -12.899 5.661 -0.978 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.855 3.459 -2.403 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.102 2.040 -2.942 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -16.567 1.664 -2.688 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.830 1.929 -4.448 1.00 0.00 C ATOM 0 H LEU A 78 -12.571 3.120 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.208 3.939 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.088 3.475 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.547 4.145 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.417 1.368 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.756 0.659 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.770 1.693 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.218 2.372 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.019 0.907 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.486 2.612 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.791 2.189 -4.650 1.00 0.00 H new ATOM 1139 N SER A 79 -13.658 6.361 -2.981 1.00 0.00 N ATOM 1140 CA SER A 79 -13.565 7.787 -2.727 1.00 0.00 C ATOM 1141 C SER A 79 -14.645 8.287 -1.773 1.00 0.00 C ATOM 1142 O SER A 79 -15.801 7.890 -1.905 1.00 0.00 O ATOM 1143 CB SER A 79 -13.663 8.521 -4.067 1.00 0.00 C ATOM 1144 OG SER A 79 -12.814 7.911 -5.031 1.00 0.00 O ATOM 0 H SER A 79 -14.023 6.144 -3.908 1.00 0.00 H new ATOM 0 HA SER A 79 -12.610 7.987 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.694 8.508 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.384 9.567 -3.937 1.00 0.00 H new ATOM 0 HG SER A 79 -12.901 8.380 -5.887 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.255 9.140 -0.821 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.195 9.824 0.050 1.00 0.00 C ATOM 1152 C LYS A 80 -15.695 11.076 -0.681 1.00 0.00 C ATOM 1153 O LYS A 80 -15.019 11.488 -1.656 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.513 10.193 1.373 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.037 8.939 2.124 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.488 9.257 3.525 1.00 0.00 C ATOM 1157 CE LYS A 80 -11.971 9.498 3.548 1.00 0.00 C ATOM 1158 NZ LYS A 80 -11.576 10.667 2.748 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.741 11.606 -0.249 1.00 0.00 O ATOM 0 H LYS A 80 -13.278 9.371 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.040 9.177 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.663 10.847 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.208 10.753 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.867 8.238 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.263 8.443 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.994 10.141 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.727 8.432 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.644 9.639 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.460 8.613 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.560 10.848 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.770 10.482 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.118 11.499 3.058 1.00 0.00 H new TER 1173 LYS A 80