USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl 169:sc=-0.00274 (180deg=0) USER MOD Set 1.2: A 41 MET CE :methyl 180:sc=-0.00181 (180deg=0) USER MOD Single : A 11 SER OG : rot 86:sc= 1.1 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -4.52! K(o=-4.5!,f=-2.7) USER MOD Single : A 23 THR OG1 : rot 110:sc= -3.37! USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0641) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 61:sc= 1.2 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= -1.76! (180deg=-2.41!) USER MOD Single : A 44 ASN : amide:sc= -7.94! C(o=-7.9!,f=-5.9!) USER MOD Single : A 46 MET CE :methyl -158:sc= -0.765 (180deg=-1.88!) USER MOD Single : A 52 GLN : amide:sc= -0.625 K(o=-0.63,f=-0.11) USER MOD Single : A 64 HIS : no HE2:sc= -4.37 K(o=-4.4,f=-3.8!) USER MOD Single : A 65 ASN : amide:sc= -6.23! C(o=-6.2!,f=-5.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -30:sc= -2.4! USER MOD Single : A 78 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-4.4!) USER MOD Single : A 79 GLN : amide:sc= -0.686 K(o=-0.69,f=-0.16) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 83 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.077) USER MOD Single : A 85 SER OG : rot -122:sc= -2.92 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -7.095 24.603 -10.059 1.00 0.00 N ATOM 16 CA ASP A 4 -5.917 23.911 -10.567 1.00 0.00 C ATOM 17 C ASP A 4 -4.642 24.509 -9.980 1.00 0.00 C ATOM 18 O ASP A 4 -3.991 25.345 -10.606 1.00 0.00 O ATOM 19 CB ASP A 4 -5.874 23.984 -12.094 1.00 0.00 C ATOM 20 CG ASP A 4 -4.684 23.243 -12.674 1.00 0.00 C ATOM 21 OD1 ASP A 4 -4.412 22.111 -12.222 1.00 0.00 O ATOM 22 OD2 ASP A 4 -4.025 23.796 -13.580 1.00 0.00 O ATOM 0 HA ASP A 4 -5.981 22.866 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.794 23.564 -12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.835 25.028 -12.404 1.00 0.00 H new ATOM 27 N ILE A 5 -4.294 24.074 -8.775 1.00 0.00 N ATOM 28 CA ILE A 5 -3.101 24.563 -8.100 1.00 0.00 C ATOM 29 C ILE A 5 -1.984 23.521 -8.161 1.00 0.00 C ATOM 30 O ILE A 5 -2.225 22.358 -8.486 1.00 0.00 O ATOM 31 CB ILE A 5 -3.416 24.931 -6.634 1.00 0.00 C ATOM 32 CG1 ILE A 5 -3.938 26.366 -6.553 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.198 24.758 -5.735 1.00 0.00 C ATOM 34 CD1 ILE A 5 -5.251 26.573 -7.274 1.00 0.00 C ATOM 0 H ILE A 5 -4.823 23.382 -8.245 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.763 25.462 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.187 24.248 -6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.061 26.641 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.192 27.040 -6.974 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.460 25.027 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.869 23.719 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.393 25.404 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.561 27.613 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.129 26.330 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.011 25.925 -6.838 1.00 0.00 H new ATOM 46 N ASP A 6 -0.764 23.945 -7.848 1.00 0.00 N ATOM 47 CA ASP A 6 0.383 23.045 -7.870 1.00 0.00 C ATOM 48 C ASP A 6 0.398 22.150 -6.635 1.00 0.00 C ATOM 49 O ASP A 6 0.867 22.552 -5.570 1.00 0.00 O ATOM 50 CB ASP A 6 1.687 23.837 -7.952 1.00 0.00 C ATOM 51 CG ASP A 6 2.892 22.938 -8.143 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.756 21.712 -7.943 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.973 23.460 -8.492 1.00 0.00 O ATOM 0 H ASP A 6 -0.545 24.903 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 6 0.295 22.415 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.629 24.544 -8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.813 24.422 -7.041 1.00 0.00 H new ATOM 58 N GLU A 7 -0.115 20.935 -6.788 1.00 0.00 N ATOM 59 CA GLU A 7 -0.158 19.980 -5.690 1.00 0.00 C ATOM 60 C GLU A 7 1.188 19.276 -5.536 1.00 0.00 C ATOM 61 O GLU A 7 1.500 18.739 -4.475 1.00 0.00 O ATOM 62 CB GLU A 7 -1.257 18.943 -5.930 1.00 0.00 C ATOM 63 CG GLU A 7 -2.604 19.547 -6.303 1.00 0.00 C ATOM 64 CD GLU A 7 -2.688 19.935 -7.767 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.742 19.621 -8.520 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.699 20.553 -8.160 1.00 0.00 O ATOM 0 H GLU A 7 -0.507 20.589 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.376 20.527 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.939 18.269 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.377 18.340 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.394 18.831 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.785 20.428 -5.687 1.00 0.00 H new ATOM 73 N CYS A 8 1.977 19.283 -6.605 1.00 0.00 N ATOM 74 CA CYS A 8 3.291 18.645 -6.596 1.00 0.00 C ATOM 75 C CYS A 8 4.267 19.428 -5.724 1.00 0.00 C ATOM 76 O CYS A 8 4.942 18.859 -4.866 1.00 0.00 O ATOM 77 CB CYS A 8 3.833 18.539 -8.023 1.00 0.00 C ATOM 78 SG CYS A 8 5.073 17.224 -8.274 1.00 0.00 S ATOM 0 H CYS A 8 1.730 19.724 -7.491 1.00 0.00 H new ATOM 0 HA CYS A 8 3.183 17.644 -6.179 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.998 18.366 -8.702 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.277 19.495 -8.300 1.00 0.00 H new ATOM 83 N ARG A 9 4.335 20.735 -5.950 1.00 0.00 N ATOM 84 CA ARG A 9 5.228 21.598 -5.184 1.00 0.00 C ATOM 85 C ARG A 9 4.865 21.574 -3.704 1.00 0.00 C ATOM 86 O ARG A 9 5.697 21.872 -2.847 1.00 0.00 O ATOM 87 CB ARG A 9 5.166 23.031 -5.715 1.00 0.00 C ATOM 88 CG ARG A 9 6.297 23.376 -6.669 1.00 0.00 C ATOM 89 CD ARG A 9 6.889 24.741 -6.361 1.00 0.00 C ATOM 90 NE ARG A 9 7.132 25.520 -7.572 1.00 0.00 N ATOM 91 CZ ARG A 9 7.912 26.594 -7.612 1.00 0.00 C ATOM 92 NH1 ARG A 9 8.523 27.015 -6.513 1.00 0.00 N ATOM 93 NH2 ARG A 9 8.083 27.249 -8.753 1.00 0.00 N ATOM 0 H ARG A 9 3.783 21.221 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 9 6.245 21.222 -5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.214 23.180 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.188 23.723 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.076 22.617 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.927 23.362 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.212 25.290 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.825 24.615 -5.817 1.00 0.00 H new ATOM 0 HE ARG A 9 6.677 25.223 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.394 26.514 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.122 27.840 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.615 26.928 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.682 28.074 -8.783 1.00 0.00 H new ATOM 107 N ILE A 10 3.620 21.214 -3.410 1.00 0.00 N ATOM 108 CA ILE A 10 3.150 21.147 -2.036 1.00 0.00 C ATOM 109 C ILE A 10 4.165 20.441 -1.146 1.00 0.00 C ATOM 110 O ILE A 10 4.399 20.845 -0.008 1.00 0.00 O ATOM 111 CB ILE A 10 1.806 20.415 -1.958 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.711 21.310 -2.526 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.490 20.009 -0.524 1.00 0.00 C ATOM 114 CD1 ILE A 10 -0.659 20.701 -2.429 1.00 0.00 C ATOM 0 H ILE A 10 2.919 20.964 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 10 3.021 22.170 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 10 1.862 19.502 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.717 22.262 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.933 21.526 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.531 19.491 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.272 19.346 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.441 20.899 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.393 21.388 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.680 19.763 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.899 20.510 -1.383 1.00 0.00 H new ATOM 126 N SER A 11 4.760 19.382 -1.678 1.00 0.00 N ATOM 127 CA SER A 11 5.747 18.611 -0.940 1.00 0.00 C ATOM 128 C SER A 11 6.539 17.707 -1.881 1.00 0.00 C ATOM 129 O SER A 11 5.978 17.115 -2.802 1.00 0.00 O ATOM 130 CB SER A 11 5.058 17.770 0.133 1.00 0.00 C ATOM 131 OG SER A 11 5.725 16.534 0.322 1.00 0.00 O ATOM 0 H SER A 11 4.575 19.038 -2.620 1.00 0.00 H new ATOM 0 HA SER A 11 6.439 19.305 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.036 18.322 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.022 17.587 -0.154 1.00 0.00 H new ATOM 0 HG SER A 11 6.452 16.650 0.969 1.00 0.00 H new ATOM 137 N PRO A 12 7.858 17.583 -1.658 1.00 0.00 N ATOM 138 CA PRO A 12 8.719 16.742 -2.484 1.00 0.00 C ATOM 139 C PRO A 12 8.540 15.266 -2.160 1.00 0.00 C ATOM 140 O PRO A 12 8.928 14.394 -2.938 1.00 0.00 O ATOM 141 CB PRO A 12 10.141 17.193 -2.127 1.00 0.00 C ATOM 142 CG PRO A 12 9.992 18.334 -1.169 1.00 0.00 C ATOM 143 CD PRO A 12 8.612 18.236 -0.587 1.00 0.00 C ATOM 0 HA PRO A 12 8.489 16.847 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.706 16.377 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.686 17.503 -3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.747 18.281 -0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.129 19.287 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.601 17.650 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.204 19.217 -0.344 1.00 0.00 H new ATOM 151 N ASP A 13 7.947 14.997 -1.003 1.00 0.00 N ATOM 152 CA ASP A 13 7.708 13.628 -0.566 1.00 0.00 C ATOM 153 C ASP A 13 6.217 13.312 -0.587 1.00 0.00 C ATOM 154 O ASP A 13 5.775 12.312 -0.021 1.00 0.00 O ATOM 155 CB ASP A 13 8.268 13.412 0.840 1.00 0.00 C ATOM 156 CG ASP A 13 8.398 14.709 1.616 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.379 15.415 1.768 1.00 0.00 O ATOM 158 OD2 ASP A 13 9.519 15.018 2.072 1.00 0.00 O ATOM 0 H ASP A 13 7.623 15.710 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 13 8.218 12.955 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.618 12.729 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.245 12.934 0.770 1.00 0.00 H new ATOM 163 N LEU A 14 5.446 14.173 -1.244 1.00 0.00 N ATOM 164 CA LEU A 14 4.003 13.986 -1.338 1.00 0.00 C ATOM 165 C LEU A 14 3.660 12.526 -1.607 1.00 0.00 C ATOM 166 O LEU A 14 2.910 11.903 -0.856 1.00 0.00 O ATOM 167 CB LEU A 14 3.423 14.867 -2.444 1.00 0.00 C ATOM 168 CG LEU A 14 2.256 15.758 -2.017 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.356 17.119 -2.682 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.928 15.099 -2.357 1.00 0.00 C ATOM 0 H LEU A 14 5.796 15.005 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 14 3.563 14.276 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.218 15.500 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.091 14.227 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 14 2.307 15.895 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.518 17.740 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.291 17.598 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.331 16.998 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.109 15.748 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.870 14.932 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.852 14.144 -1.837 1.00 0.00 H new ATOM 182 N CYS A 15 4.214 11.990 -2.685 1.00 0.00 N ATOM 183 CA CYS A 15 3.971 10.604 -3.064 1.00 0.00 C ATOM 184 C CYS A 15 4.483 9.646 -1.993 1.00 0.00 C ATOM 185 O CYS A 15 4.185 8.454 -2.021 1.00 0.00 O ATOM 186 CB CYS A 15 4.641 10.292 -4.402 1.00 0.00 C ATOM 187 SG CYS A 15 3.884 8.902 -5.304 1.00 0.00 S ATOM 0 H CYS A 15 4.837 12.495 -3.315 1.00 0.00 H new ATOM 0 HA CYS A 15 2.894 10.468 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.606 11.182 -5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.693 10.068 -4.226 1.00 0.00 H new ATOM 192 N GLY A 16 5.256 10.176 -1.050 1.00 0.00 N ATOM 193 CA GLY A 16 5.796 9.354 0.014 1.00 0.00 C ATOM 194 C GLY A 16 6.934 8.467 -0.454 1.00 0.00 C ATOM 195 O GLY A 16 7.527 7.738 0.342 1.00 0.00 O ATOM 0 H GLY A 16 5.517 11.161 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.149 9.996 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.002 8.732 0.426 1.00 0.00 H new ATOM 199 N ARG A 17 7.241 8.530 -1.745 1.00 0.00 N ATOM 200 CA ARG A 17 8.317 7.728 -2.316 1.00 0.00 C ATOM 201 C ARG A 17 8.417 7.946 -3.822 1.00 0.00 C ATOM 202 O ARG A 17 9.503 7.881 -4.397 1.00 0.00 O ATOM 203 CB ARG A 17 8.094 6.243 -2.020 1.00 0.00 C ATOM 204 CG ARG A 17 9.343 5.395 -2.195 1.00 0.00 C ATOM 205 CD ARG A 17 10.351 5.654 -1.087 1.00 0.00 C ATOM 206 NE ARG A 17 11.711 5.310 -1.493 1.00 0.00 N ATOM 207 CZ ARG A 17 12.799 5.872 -0.976 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.685 6.800 -0.037 1.00 0.00 N ATOM 209 NH2 ARG A 17 14.001 5.506 -1.398 1.00 0.00 N ATOM 0 H ARG A 17 6.760 9.128 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 17 9.253 8.045 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.732 6.135 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.312 5.863 -2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.070 4.340 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.799 5.612 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.313 6.705 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.078 5.074 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 17 11.833 4.599 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.761 7.084 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.521 7.230 0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.092 4.792 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.835 5.938 -1.000 1.00 0.00 H new ATOM 223 N GLY A 18 7.277 8.199 -4.459 1.00 0.00 N ATOM 224 CA GLY A 18 7.265 8.416 -5.893 1.00 0.00 C ATOM 225 C GLY A 18 7.510 9.863 -6.274 1.00 0.00 C ATOM 226 O GLY A 18 8.297 10.559 -5.631 1.00 0.00 O ATOM 0 H GLY A 18 6.364 8.257 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.027 7.790 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.303 8.098 -6.295 1.00 0.00 H new ATOM 230 N GLN A 19 6.837 10.310 -7.329 1.00 0.00 N ATOM 231 CA GLN A 19 6.983 11.678 -7.810 1.00 0.00 C ATOM 232 C GLN A 19 5.620 12.333 -8.015 1.00 0.00 C ATOM 233 O GLN A 19 4.860 11.937 -8.898 1.00 0.00 O ATOM 234 CB GLN A 19 7.761 11.685 -9.126 1.00 0.00 C ATOM 235 CG GLN A 19 9.217 11.276 -8.974 1.00 0.00 C ATOM 236 CD GLN A 19 10.114 11.916 -10.015 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.937 12.775 -9.699 1.00 0.00 O ATOM 238 NE2 GLN A 19 9.958 11.499 -11.266 1.00 0.00 N ATOM 0 H GLN A 19 6.183 9.742 -7.868 1.00 0.00 H new ATOM 0 HA GLN A 19 7.530 12.248 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.274 11.010 -9.830 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.716 12.684 -9.560 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.566 11.553 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.296 10.191 -9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.263 10.784 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.533 11.893 -12.010 1.00 0.00 H new ATOM 247 N CYS A 20 5.312 13.333 -7.197 1.00 0.00 N ATOM 248 CA CYS A 20 4.035 14.027 -7.302 1.00 0.00 C ATOM 249 C CYS A 20 3.802 14.542 -8.719 1.00 0.00 C ATOM 250 O CYS A 20 4.748 14.791 -9.468 1.00 0.00 O ATOM 251 CB CYS A 20 3.962 15.189 -6.304 1.00 0.00 C ATOM 252 SG CYS A 20 5.324 16.394 -6.438 1.00 0.00 S ATOM 0 H CYS A 20 5.925 13.679 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 20 3.251 13.309 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.016 15.713 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.953 14.782 -5.293 1.00 0.00 H new ATOM 257 N VAL A 21 2.532 14.697 -9.075 1.00 0.00 N ATOM 258 CA VAL A 21 2.151 15.186 -10.394 1.00 0.00 C ATOM 259 C VAL A 21 1.059 16.243 -10.266 1.00 0.00 C ATOM 260 O VAL A 21 0.437 16.371 -9.216 1.00 0.00 O ATOM 261 CB VAL A 21 1.655 14.039 -11.300 1.00 0.00 C ATOM 262 CG1 VAL A 21 0.849 14.579 -12.474 1.00 0.00 C ATOM 263 CG2 VAL A 21 2.829 13.207 -11.792 1.00 0.00 C ATOM 0 H VAL A 21 1.743 14.489 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 21 3.036 15.626 -10.853 1.00 0.00 H new ATOM 0 HB VAL A 21 0.999 13.399 -10.710 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.512 13.750 -13.096 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.016 15.127 -12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.473 15.247 -13.067 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.463 12.402 -12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.510 13.840 -12.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.357 12.782 -10.938 1.00 0.00 H new ATOM 273 N ASN A 22 0.834 16.999 -11.335 1.00 0.00 N ATOM 274 CA ASN A 22 -0.180 18.046 -11.325 1.00 0.00 C ATOM 275 C ASN A 22 -1.367 17.687 -12.215 1.00 0.00 C ATOM 276 O ASN A 22 -1.196 17.153 -13.311 1.00 0.00 O ATOM 277 CB ASN A 22 0.427 19.370 -11.787 1.00 0.00 C ATOM 278 CG ASN A 22 -0.435 20.555 -11.411 1.00 0.00 C ATOM 279 OD1 ASN A 22 -1.091 21.156 -12.262 1.00 0.00 O ATOM 280 ND2 ASN A 22 -0.439 20.896 -10.131 1.00 0.00 N ATOM 0 H ASN A 22 1.339 16.907 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.542 18.146 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.417 19.488 -11.345 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.561 19.349 -12.869 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.002 21.686 -9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.121 20.369 -9.461 1.00 0.00 H new ATOM 287 N THR A 23 -2.571 17.994 -11.737 1.00 0.00 N ATOM 288 CA THR A 23 -3.787 17.714 -12.490 1.00 0.00 C ATOM 289 C THR A 23 -4.851 18.771 -12.211 1.00 0.00 C ATOM 290 O THR A 23 -4.857 19.395 -11.150 1.00 0.00 O ATOM 291 CB THR A 23 -4.359 16.325 -12.148 1.00 0.00 C ATOM 292 OG1 THR A 23 -5.183 16.407 -10.980 1.00 0.00 O ATOM 293 CG2 THR A 23 -3.241 15.321 -11.914 1.00 0.00 C ATOM 0 H THR A 23 -2.728 18.437 -10.832 1.00 0.00 H new ATOM 0 HA THR A 23 -3.518 17.733 -13.546 1.00 0.00 H new ATOM 0 HB THR A 23 -4.959 15.987 -12.993 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.121 16.279 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.670 14.348 -11.674 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.633 15.237 -12.815 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.618 15.657 -11.085 1.00 0.00 H new ATOM 301 N PRO A 24 -5.771 18.984 -13.163 1.00 0.00 N ATOM 302 CA PRO A 24 -6.848 19.967 -13.020 1.00 0.00 C ATOM 303 C PRO A 24 -7.668 19.730 -11.758 1.00 0.00 C ATOM 304 O PRO A 24 -8.260 18.664 -11.584 1.00 0.00 O ATOM 305 CB PRO A 24 -7.712 19.756 -14.272 1.00 0.00 C ATOM 306 CG PRO A 24 -7.278 18.445 -14.840 1.00 0.00 C ATOM 307 CD PRO A 24 -5.839 18.280 -14.450 1.00 0.00 C ATOM 0 HA PRO A 24 -6.463 20.983 -12.931 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.772 19.743 -14.019 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.566 20.563 -14.990 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.885 17.629 -14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.392 18.433 -15.924 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.564 17.230 -14.352 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.167 18.718 -15.187 1.00 0.00 H new ATOM 315 N GLY A 25 -7.693 20.723 -10.875 1.00 0.00 N ATOM 316 CA GLY A 25 -8.437 20.586 -9.638 1.00 0.00 C ATOM 317 C GLY A 25 -8.139 19.275 -8.944 1.00 0.00 C ATOM 318 O GLY A 25 -9.046 18.592 -8.467 1.00 0.00 O ATOM 0 H GLY A 25 -7.214 21.616 -10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.191 21.413 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.505 20.652 -9.847 1.00 0.00 H new ATOM 322 N ASP A 26 -6.860 18.920 -8.900 1.00 0.00 N ATOM 323 CA ASP A 26 -6.427 17.681 -8.273 1.00 0.00 C ATOM 324 C ASP A 26 -4.970 17.394 -8.616 1.00 0.00 C ATOM 325 O ASP A 26 -4.272 18.249 -9.167 1.00 0.00 O ATOM 326 CB ASP A 26 -7.308 16.519 -8.729 1.00 0.00 C ATOM 327 CG ASP A 26 -8.053 15.871 -7.579 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.391 15.431 -6.616 1.00 0.00 O ATOM 329 OD2 ASP A 26 -9.299 15.805 -7.641 1.00 0.00 O ATOM 0 H ASP A 26 -6.102 19.478 -9.294 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.519 17.791 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.026 16.879 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.690 15.771 -9.225 1.00 0.00 H new ATOM 334 N PHE A 27 -4.508 16.194 -8.287 1.00 0.00 N ATOM 335 CA PHE A 27 -3.130 15.821 -8.564 1.00 0.00 C ATOM 336 C PHE A 27 -2.911 14.321 -8.418 1.00 0.00 C ATOM 337 O PHE A 27 -3.816 13.579 -8.038 1.00 0.00 O ATOM 338 CB PHE A 27 -2.194 16.574 -7.624 1.00 0.00 C ATOM 339 CG PHE A 27 -2.207 16.061 -6.214 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.254 16.366 -5.360 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.169 15.275 -5.742 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.265 15.898 -4.060 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.174 14.803 -4.444 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.223 15.115 -3.601 1.00 0.00 C ATOM 0 H PHE A 27 -5.063 15.469 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.912 16.090 -9.598 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.178 16.513 -8.013 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.471 17.628 -7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.071 16.977 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.346 15.028 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.087 16.144 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.359 14.191 -4.088 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.229 14.748 -2.585 1.00 0.00 H new ATOM 354 N GLU A 28 -1.693 13.889 -8.723 1.00 0.00 N ATOM 355 CA GLU A 28 -1.327 12.481 -8.628 1.00 0.00 C ATOM 356 C GLU A 28 0.173 12.350 -8.384 1.00 0.00 C ATOM 357 O GLU A 28 0.833 13.325 -8.029 1.00 0.00 O ATOM 358 CB GLU A 28 -1.730 11.737 -9.903 1.00 0.00 C ATOM 359 CG GLU A 28 -1.171 12.354 -11.174 1.00 0.00 C ATOM 360 CD GLU A 28 -0.009 11.563 -11.743 1.00 0.00 C ATOM 361 OE1 GLU A 28 0.945 11.282 -10.987 1.00 0.00 O ATOM 362 OE2 GLU A 28 -0.052 11.224 -12.944 1.00 0.00 O ATOM 0 H GLU A 28 -0.938 14.498 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.860 12.034 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.391 10.703 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.818 11.712 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.962 12.419 -11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.845 13.373 -10.966 1.00 0.00 H new ATOM 369 N CYS A 29 0.712 11.151 -8.567 1.00 0.00 N ATOM 370 CA CYS A 29 2.138 10.930 -8.356 1.00 0.00 C ATOM 371 C CYS A 29 2.571 9.554 -8.849 1.00 0.00 C ATOM 372 O CYS A 29 1.789 8.603 -8.847 1.00 0.00 O ATOM 373 CB CYS A 29 2.480 11.081 -6.874 1.00 0.00 C ATOM 374 SG CYS A 29 2.072 9.620 -5.865 1.00 0.00 S ATOM 0 H CYS A 29 0.190 10.324 -8.858 1.00 0.00 H new ATOM 0 HA CYS A 29 2.679 11.680 -8.933 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.545 11.290 -6.777 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.948 11.945 -6.475 1.00 0.00 H new ATOM 379 N LYS A 30 3.832 9.458 -9.261 1.00 0.00 N ATOM 380 CA LYS A 30 4.389 8.202 -9.747 1.00 0.00 C ATOM 381 C LYS A 30 5.094 7.464 -8.615 1.00 0.00 C ATOM 382 O LYS A 30 6.320 7.500 -8.502 1.00 0.00 O ATOM 383 CB LYS A 30 5.370 8.464 -10.892 1.00 0.00 C ATOM 384 CG LYS A 30 5.646 7.241 -11.753 1.00 0.00 C ATOM 385 CD LYS A 30 5.593 5.960 -10.936 1.00 0.00 C ATOM 386 CE LYS A 30 5.870 4.739 -11.798 1.00 0.00 C ATOM 387 NZ LYS A 30 7.285 4.699 -12.266 1.00 0.00 N ATOM 0 H LYS A 30 4.488 10.239 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 30 3.573 7.581 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.974 9.260 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.311 8.825 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.914 7.190 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.627 7.336 -12.218 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.324 6.011 -10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.612 5.864 -10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.650 3.836 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.202 4.744 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.470 3.789 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.450 5.475 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.923 4.805 -11.452 1.00 0.00 H new ATOM 401 N CYS A 31 4.308 6.808 -7.770 1.00 0.00 N ATOM 402 CA CYS A 31 4.845 6.071 -6.633 1.00 0.00 C ATOM 403 C CYS A 31 6.095 5.286 -7.016 1.00 0.00 C ATOM 404 O CYS A 31 6.448 5.188 -8.191 1.00 0.00 O ATOM 405 CB CYS A 31 3.784 5.134 -6.054 1.00 0.00 C ATOM 406 SG CYS A 31 3.265 5.557 -4.359 1.00 0.00 S ATOM 0 H CYS A 31 3.292 6.772 -7.852 1.00 0.00 H new ATOM 0 HA CYS A 31 5.128 6.797 -5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.909 5.147 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.171 4.115 -6.061 1.00 0.00 H new ATOM 411 N ASP A 32 6.766 4.737 -6.007 1.00 0.00 N ATOM 412 CA ASP A 32 7.988 3.969 -6.219 1.00 0.00 C ATOM 413 C ASP A 32 7.722 2.706 -7.038 1.00 0.00 C ATOM 414 O ASP A 32 7.687 2.752 -8.268 1.00 0.00 O ATOM 415 CB ASP A 32 8.618 3.603 -4.874 1.00 0.00 C ATOM 416 CG ASP A 32 9.817 2.689 -5.026 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.614 2.906 -5.963 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.959 1.755 -4.209 1.00 0.00 O ATOM 0 H ASP A 32 6.482 4.811 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 32 8.681 4.592 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.922 4.514 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.871 3.116 -4.247 1.00 0.00 H new ATOM 423 N GLU A 33 7.547 1.578 -6.353 1.00 0.00 N ATOM 424 CA GLU A 33 7.299 0.307 -7.026 1.00 0.00 C ATOM 425 C GLU A 33 5.928 -0.250 -6.667 1.00 0.00 C ATOM 426 O GLU A 33 4.999 -0.208 -7.474 1.00 0.00 O ATOM 427 CB GLU A 33 8.384 -0.705 -6.657 1.00 0.00 C ATOM 428 CG GLU A 33 9.789 -0.248 -7.011 1.00 0.00 C ATOM 429 CD GLU A 33 10.439 -1.122 -8.065 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.838 -2.258 -7.731 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.547 -0.672 -9.225 1.00 0.00 O ATOM 0 H GLU A 33 7.572 1.519 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 33 7.323 0.487 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.335 -0.904 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.179 -1.647 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.753 0.781 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.405 -0.251 -6.112 1.00 0.00 H new ATOM 438 N GLY A 34 5.810 -0.773 -5.454 1.00 0.00 N ATOM 439 CA GLY A 34 4.553 -1.332 -5.008 1.00 0.00 C ATOM 440 C GLY A 34 3.785 -0.373 -4.128 1.00 0.00 C ATOM 441 O GLY A 34 2.644 -0.638 -3.762 1.00 0.00 O ATOM 0 H GLY A 34 6.566 -0.819 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.946 -1.594 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.741 -2.255 -4.460 1.00 0.00 H new ATOM 445 N TYR A 35 4.410 0.748 -3.793 1.00 0.00 N ATOM 446 CA TYR A 35 3.769 1.746 -2.950 1.00 0.00 C ATOM 447 C TYR A 35 2.626 2.421 -3.693 1.00 0.00 C ATOM 448 O TYR A 35 2.798 2.897 -4.815 1.00 0.00 O ATOM 449 CB TYR A 35 4.786 2.795 -2.505 1.00 0.00 C ATOM 450 CG TYR A 35 5.964 2.220 -1.751 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.865 0.999 -1.094 1.00 0.00 C ATOM 452 CD2 TYR A 35 7.173 2.899 -1.694 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.939 0.473 -0.402 1.00 0.00 C ATOM 454 CE2 TYR A 35 8.252 2.379 -1.005 1.00 0.00 C ATOM 455 CZ TYR A 35 8.130 1.166 -0.360 1.00 0.00 C ATOM 456 OH TYR A 35 9.202 0.645 0.326 1.00 0.00 O ATOM 0 H TYR A 35 5.356 0.988 -4.091 1.00 0.00 H new ATOM 0 HA TYR A 35 3.367 1.242 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.153 3.327 -3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.285 3.529 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.934 0.453 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.272 3.850 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.846 -0.477 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.186 2.920 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 35 9.964 1.257 0.256 1.00 0.00 H new ATOM 466 N GLU A 36 1.457 2.460 -3.064 1.00 0.00 N ATOM 467 CA GLU A 36 0.292 3.078 -3.677 1.00 0.00 C ATOM 468 C GLU A 36 0.174 4.542 -3.257 1.00 0.00 C ATOM 469 O GLU A 36 0.585 4.921 -2.161 1.00 0.00 O ATOM 470 CB GLU A 36 -0.979 2.294 -3.317 1.00 0.00 C ATOM 471 CG GLU A 36 -1.830 2.937 -2.233 1.00 0.00 C ATOM 472 CD GLU A 36 -2.988 3.735 -2.799 1.00 0.00 C ATOM 473 OE1 GLU A 36 -2.757 4.874 -3.257 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.127 3.221 -2.785 1.00 0.00 O ATOM 0 H GLU A 36 1.293 2.073 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 36 0.412 3.051 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.585 2.177 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.694 1.293 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.217 2.162 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.205 3.591 -1.626 1.00 0.00 H new ATOM 481 N SER A 37 -0.385 5.357 -4.142 1.00 0.00 N ATOM 482 CA SER A 37 -0.554 6.781 -3.880 1.00 0.00 C ATOM 483 C SER A 37 -1.415 7.020 -2.643 1.00 0.00 C ATOM 484 O SER A 37 -2.591 7.364 -2.750 1.00 0.00 O ATOM 485 CB SER A 37 -1.186 7.468 -5.092 1.00 0.00 C ATOM 486 OG SER A 37 -2.546 7.098 -5.237 1.00 0.00 O ATOM 0 H SER A 37 -0.731 5.054 -5.053 1.00 0.00 H new ATOM 0 HA SER A 37 0.433 7.206 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.110 8.550 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.635 7.201 -5.994 1.00 0.00 H new ATOM 0 HG SER A 37 -3.045 7.368 -4.438 1.00 0.00 H new ATOM 492 N GLY A 38 -0.816 6.844 -1.469 1.00 0.00 N ATOM 493 CA GLY A 38 -1.539 7.057 -0.231 1.00 0.00 C ATOM 494 C GLY A 38 -1.965 5.764 0.432 1.00 0.00 C ATOM 495 O GLY A 38 -1.522 5.453 1.536 1.00 0.00 O ATOM 0 H GLY A 38 0.156 6.558 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.912 7.623 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.421 7.665 -0.431 1.00 0.00 H new ATOM 499 N PHE A 39 -2.840 5.031 -0.248 1.00 0.00 N ATOM 500 CA PHE A 39 -3.372 3.759 0.246 1.00 0.00 C ATOM 501 C PHE A 39 -4.734 3.966 0.895 1.00 0.00 C ATOM 502 O PHE A 39 -5.470 3.010 1.140 1.00 0.00 O ATOM 503 CB PHE A 39 -2.417 3.101 1.245 1.00 0.00 C ATOM 504 CG PHE A 39 -2.827 1.708 1.628 1.00 0.00 C ATOM 505 CD1 PHE A 39 -2.535 0.633 0.803 1.00 0.00 C ATOM 506 CD2 PHE A 39 -3.506 1.475 2.812 1.00 0.00 C ATOM 507 CE1 PHE A 39 -2.914 -0.649 1.154 1.00 0.00 C ATOM 508 CE2 PHE A 39 -3.889 0.196 3.168 1.00 0.00 C ATOM 509 CZ PHE A 39 -3.593 -0.867 2.338 1.00 0.00 C ATOM 0 H PHE A 39 -3.204 5.301 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.479 3.095 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.416 3.073 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.361 3.716 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.006 0.799 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.739 2.303 3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.680 -1.479 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.419 0.028 4.094 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.892 -1.868 2.614 1.00 0.00 H new ATOM 519 N MET A 40 -5.057 5.223 1.174 1.00 0.00 N ATOM 520 CA MET A 40 -6.325 5.577 1.799 1.00 0.00 C ATOM 521 C MET A 40 -6.198 6.911 2.517 1.00 0.00 C ATOM 522 O MET A 40 -7.184 7.617 2.731 1.00 0.00 O ATOM 523 CB MET A 40 -6.754 4.500 2.792 1.00 0.00 C ATOM 524 CG MET A 40 -5.598 3.875 3.556 1.00 0.00 C ATOM 525 SD MET A 40 -5.778 4.038 5.343 1.00 0.00 S ATOM 526 CE MET A 40 -4.064 3.999 5.860 1.00 0.00 C ATOM 0 H MET A 40 -4.452 6.020 0.975 1.00 0.00 H new ATOM 0 HA MET A 40 -7.082 5.657 1.018 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.456 4.934 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.289 3.716 2.255 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.525 2.819 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.665 4.345 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.994 4.283 6.910 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.667 2.992 5.729 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.486 4.698 5.256 1.00 0.00 H new ATOM 536 N MET A 41 -4.969 7.246 2.881 1.00 0.00 N ATOM 537 CA MET A 41 -4.687 8.497 3.573 1.00 0.00 C ATOM 538 C MET A 41 -4.786 9.669 2.607 1.00 0.00 C ATOM 539 O MET A 41 -5.292 10.736 2.957 1.00 0.00 O ATOM 540 CB MET A 41 -3.292 8.481 4.213 1.00 0.00 C ATOM 541 CG MET A 41 -2.354 7.411 3.670 1.00 0.00 C ATOM 542 SD MET A 41 -0.760 7.399 4.513 1.00 0.00 S ATOM 543 CE MET A 41 -0.998 6.048 5.666 1.00 0.00 C ATOM 0 H MET A 41 -4.147 6.667 2.708 1.00 0.00 H new ATOM 0 HA MET A 41 -5.429 8.610 4.363 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.830 9.457 4.068 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.402 8.337 5.288 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.824 6.433 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.197 7.577 2.604 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.095 5.915 6.262 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.837 6.274 6.324 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.206 5.131 5.114 1.00 0.00 H new ATOM 553 N MET A 42 -4.300 9.451 1.392 1.00 0.00 N ATOM 554 CA MET A 42 -4.323 10.478 0.354 1.00 0.00 C ATOM 555 C MET A 42 -3.225 10.248 -0.679 1.00 0.00 C ATOM 556 O MET A 42 -3.499 10.091 -1.868 1.00 0.00 O ATOM 557 CB MET A 42 -4.160 11.867 0.973 1.00 0.00 C ATOM 558 CG MET A 42 -3.084 11.931 2.043 1.00 0.00 C ATOM 559 SD MET A 42 -3.615 12.837 3.509 1.00 0.00 S ATOM 560 CE MET A 42 -2.650 14.337 3.347 1.00 0.00 C ATOM 0 H MET A 42 -3.883 8.568 1.098 1.00 0.00 H new ATOM 0 HA MET A 42 -5.288 10.416 -0.148 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.921 12.581 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.111 12.177 1.406 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.801 10.918 2.329 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.194 12.406 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.868 15.002 4.182 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.589 14.089 3.349 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.905 14.834 2.411 1.00 0.00 H new ATOM 570 N LYS A 43 -1.982 10.235 -0.214 1.00 0.00 N ATOM 571 CA LYS A 43 -0.838 10.032 -1.093 1.00 0.00 C ATOM 572 C LYS A 43 0.466 10.079 -0.302 1.00 0.00 C ATOM 573 O LYS A 43 0.923 11.149 0.101 1.00 0.00 O ATOM 574 CB LYS A 43 -0.818 11.096 -2.191 1.00 0.00 C ATOM 575 CG LYS A 43 -0.707 10.522 -3.593 1.00 0.00 C ATOM 576 CD LYS A 43 -2.032 10.604 -4.335 1.00 0.00 C ATOM 577 CE LYS A 43 -1.824 10.762 -5.832 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.110 10.708 -6.581 1.00 0.00 N ATOM 0 H LYS A 43 -1.741 10.363 0.769 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.932 9.048 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.727 11.693 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.020 11.771 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.057 11.064 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.384 9.483 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.615 9.704 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.611 11.446 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.328 11.712 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.161 9.975 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.946 10.301 -7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.789 10.116 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.494 11.669 -6.681 1.00 0.00 H new ATOM 592 N ASN A 44 1.057 8.911 -0.085 1.00 0.00 N ATOM 593 CA ASN A 44 2.307 8.810 0.656 1.00 0.00 C ATOM 594 C ASN A 44 3.000 7.479 0.376 1.00 0.00 C ATOM 595 O ASN A 44 3.744 6.970 1.213 1.00 0.00 O ATOM 596 CB ASN A 44 2.049 8.965 2.157 1.00 0.00 C ATOM 597 CG ASN A 44 1.681 7.654 2.829 1.00 0.00 C ATOM 598 OD1 ASN A 44 2.042 7.413 3.981 1.00 0.00 O ATOM 599 ND2 ASN A 44 0.961 6.797 2.111 1.00 0.00 N ATOM 0 H ASN A 44 0.689 8.018 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 44 2.964 9.614 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.939 9.375 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.245 9.685 2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.687 5.900 2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.683 7.037 1.159 1.00 0.00 H new ATOM 606 N CYS A 45 2.749 6.927 -0.808 1.00 0.00 N ATOM 607 CA CYS A 45 3.343 5.654 -1.213 1.00 0.00 C ATOM 608 C CYS A 45 3.319 4.637 -0.077 1.00 0.00 C ATOM 609 O CYS A 45 4.097 4.725 0.873 1.00 0.00 O ATOM 610 CB CYS A 45 4.782 5.866 -1.696 1.00 0.00 C ATOM 611 SG CYS A 45 4.955 6.263 -3.473 1.00 0.00 S ATOM 0 H CYS A 45 2.135 7.343 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 45 2.744 5.257 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.229 6.673 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.356 4.964 -1.484 1.00 0.00 H new ATOM 616 N MET A 46 2.426 3.661 -0.193 1.00 0.00 N ATOM 617 CA MET A 46 2.300 2.617 0.815 1.00 0.00 C ATOM 618 C MET A 46 1.856 1.299 0.188 1.00 0.00 C ATOM 619 O MET A 46 0.682 1.134 -0.140 1.00 0.00 O ATOM 620 CB MET A 46 1.304 3.044 1.894 1.00 0.00 C ATOM 621 CG MET A 46 1.961 3.636 3.130 1.00 0.00 C ATOM 622 SD MET A 46 2.632 2.376 4.231 1.00 0.00 S ATOM 623 CE MET A 46 1.190 1.343 4.484 1.00 0.00 C ATOM 0 H MET A 46 1.778 3.571 -0.976 1.00 0.00 H new ATOM 0 HA MET A 46 3.279 2.466 1.270 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.616 3.777 1.472 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.708 2.180 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.762 4.309 2.824 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.231 4.236 3.673 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.307 0.775 5.407 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.301 1.970 4.554 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.083 0.655 3.645 1.00 0.00 H new ATOM 633 N ASP A 47 2.813 0.377 0.032 1.00 0.00 N ATOM 634 CA ASP A 47 2.571 -0.949 -0.547 1.00 0.00 C ATOM 635 C ASP A 47 1.116 -1.158 -0.956 1.00 0.00 C ATOM 636 O ASP A 47 0.212 -1.144 -0.121 1.00 0.00 O ATOM 637 CB ASP A 47 2.984 -2.037 0.446 1.00 0.00 C ATOM 638 CG ASP A 47 1.954 -2.243 1.538 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.580 -1.249 2.197 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.519 -3.397 1.734 1.00 0.00 O ATOM 0 H ASP A 47 3.783 0.531 0.306 1.00 0.00 H new ATOM 0 HA ASP A 47 3.176 -1.014 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.135 -2.975 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.940 -1.770 0.897 1.00 0.00 H new ATOM 645 N ILE A 48 0.909 -1.360 -2.249 1.00 0.00 N ATOM 646 CA ILE A 48 -0.422 -1.581 -2.794 1.00 0.00 C ATOM 647 C ILE A 48 -1.007 -2.891 -2.281 1.00 0.00 C ATOM 648 O ILE A 48 -0.419 -3.545 -1.421 1.00 0.00 O ATOM 649 CB ILE A 48 -0.376 -1.622 -4.330 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.857 -2.399 -4.793 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.368 -0.210 -4.900 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.551 -3.451 -5.836 1.00 0.00 C ATOM 0 H ILE A 48 1.654 -1.375 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.053 -0.754 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.267 -2.130 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.587 -1.698 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.320 -2.878 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.335 -0.257 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.271 0.314 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.508 0.325 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.471 -3.962 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.155 -4.174 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.116 -2.976 -6.715 1.00 0.00 H new ATOM 664 N ASP A 49 -2.162 -3.272 -2.815 1.00 0.00 N ATOM 665 CA ASP A 49 -2.816 -4.507 -2.409 1.00 0.00 C ATOM 666 C ASP A 49 -2.376 -5.672 -3.290 1.00 0.00 C ATOM 667 O ASP A 49 -3.133 -6.135 -4.143 1.00 0.00 O ATOM 668 CB ASP A 49 -4.336 -4.356 -2.475 1.00 0.00 C ATOM 669 CG ASP A 49 -5.059 -5.594 -1.983 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.415 -6.661 -1.894 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.268 -5.498 -1.686 1.00 0.00 O ATOM 0 H ASP A 49 -2.663 -2.743 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.523 -4.717 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.640 -3.498 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.634 -4.148 -3.503 1.00 0.00 H new ATOM 676 N GLU A 50 -1.151 -6.144 -3.078 1.00 0.00 N ATOM 677 CA GLU A 50 -0.620 -7.255 -3.853 1.00 0.00 C ATOM 678 C GLU A 50 -1.588 -8.431 -3.842 1.00 0.00 C ATOM 679 O GLU A 50 -1.574 -9.271 -4.741 1.00 0.00 O ATOM 680 CB GLU A 50 0.731 -7.693 -3.295 1.00 0.00 C ATOM 681 CG GLU A 50 1.892 -6.829 -3.756 1.00 0.00 C ATOM 682 CD GLU A 50 2.189 -5.692 -2.799 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.460 -4.678 -2.837 1.00 0.00 O ATOM 684 OE2 GLU A 50 3.150 -5.815 -2.011 1.00 0.00 O ATOM 0 H GLU A 50 -0.510 -5.773 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.489 -6.919 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.687 -7.676 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.918 -8.725 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.781 -7.450 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.667 -6.420 -4.741 1.00 0.00 H new ATOM 691 N CYS A 51 -2.432 -8.481 -2.817 1.00 0.00 N ATOM 692 CA CYS A 51 -3.412 -9.551 -2.687 1.00 0.00 C ATOM 693 C CYS A 51 -4.557 -9.350 -3.674 1.00 0.00 C ATOM 694 O CYS A 51 -5.378 -10.244 -3.881 1.00 0.00 O ATOM 695 CB CYS A 51 -3.955 -9.604 -1.257 1.00 0.00 C ATOM 696 SG CYS A 51 -5.245 -10.865 -0.995 1.00 0.00 S ATOM 0 H CYS A 51 -2.456 -7.793 -2.065 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.920 -10.497 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.129 -9.798 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.360 -8.626 -0.998 1.00 0.00 H new ATOM 701 N GLN A 52 -4.604 -8.167 -4.277 1.00 0.00 N ATOM 702 CA GLN A 52 -5.643 -7.836 -5.241 1.00 0.00 C ATOM 703 C GLN A 52 -5.042 -7.576 -6.616 1.00 0.00 C ATOM 704 O GLN A 52 -5.706 -7.740 -7.640 1.00 0.00 O ATOM 705 CB GLN A 52 -6.414 -6.604 -4.771 1.00 0.00 C ATOM 706 CG GLN A 52 -7.628 -6.940 -3.927 1.00 0.00 C ATOM 707 CD GLN A 52 -8.642 -5.813 -3.886 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.125 -5.436 -2.818 1.00 0.00 O ATOM 709 NE2 GLN A 52 -8.972 -5.270 -5.052 1.00 0.00 N ATOM 0 H GLN A 52 -3.930 -7.419 -4.113 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.325 -8.683 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.746 -5.964 -4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.733 -6.030 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.104 -7.837 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.307 -7.171 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.547 -5.614 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.651 -4.509 -5.086 1.00 0.00 H new ATOM 718 N ARG A 53 -3.779 -7.168 -6.629 1.00 0.00 N ATOM 719 CA ARG A 53 -3.079 -6.879 -7.874 1.00 0.00 C ATOM 720 C ARG A 53 -3.216 -8.033 -8.861 1.00 0.00 C ATOM 721 O ARG A 53 -3.355 -7.822 -10.066 1.00 0.00 O ATOM 722 CB ARG A 53 -1.600 -6.605 -7.598 1.00 0.00 C ATOM 723 CG ARG A 53 -0.754 -6.514 -8.856 1.00 0.00 C ATOM 724 CD ARG A 53 0.698 -6.854 -8.571 1.00 0.00 C ATOM 725 NE ARG A 53 1.591 -6.370 -9.620 1.00 0.00 N ATOM 726 CZ ARG A 53 2.818 -6.841 -9.819 1.00 0.00 C ATOM 727 NH1 ARG A 53 3.294 -7.805 -9.042 1.00 0.00 N ATOM 728 NH2 ARG A 53 3.569 -6.349 -10.794 1.00 0.00 N ATOM 0 H ARG A 53 -3.217 -7.030 -5.789 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.533 -5.992 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.510 -5.672 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.205 -7.396 -6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.147 -7.194 -9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.820 -5.507 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.991 -6.418 -7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.805 -7.934 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 53 1.254 -5.629 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.718 -8.186 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.236 -8.166 -9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.206 -5.608 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.510 -6.712 -10.945 1.00 0.00 H new ATOM 742 N ASP A 54 -3.175 -9.254 -8.340 1.00 0.00 N ATOM 743 CA ASP A 54 -3.294 -10.443 -9.173 1.00 0.00 C ATOM 744 C ASP A 54 -4.591 -11.188 -8.876 1.00 0.00 C ATOM 745 O ASP A 54 -4.984 -11.344 -7.720 1.00 0.00 O ATOM 746 CB ASP A 54 -2.098 -11.371 -8.951 1.00 0.00 C ATOM 747 CG ASP A 54 -1.275 -11.564 -10.209 1.00 0.00 C ATOM 748 OD1 ASP A 54 -0.911 -10.550 -10.842 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.995 -12.728 -10.561 1.00 0.00 O ATOM 0 H ASP A 54 -3.060 -9.446 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.309 -10.124 -10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.464 -10.961 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.454 -12.340 -8.600 1.00 0.00 H new ATOM 754 N PRO A 55 -5.266 -11.660 -9.929 1.00 0.00 N ATOM 755 CA PRO A 55 -6.522 -12.398 -9.806 1.00 0.00 C ATOM 756 C PRO A 55 -6.293 -13.852 -9.410 1.00 0.00 C ATOM 757 O PRO A 55 -7.240 -14.599 -9.165 1.00 0.00 O ATOM 758 CB PRO A 55 -7.109 -12.309 -11.212 1.00 0.00 C ATOM 759 CG PRO A 55 -5.923 -12.220 -12.110 1.00 0.00 C ATOM 760 CD PRO A 55 -4.846 -11.511 -11.331 1.00 0.00 C ATOM 0 HA PRO A 55 -7.172 -11.992 -9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.717 -13.184 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.753 -11.436 -11.318 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.592 -13.213 -12.414 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.167 -11.673 -13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.867 -11.958 -11.504 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.772 -10.462 -11.616 1.00 0.00 H new ATOM 768 N LEU A 56 -5.024 -14.241 -9.345 1.00 0.00 N ATOM 769 CA LEU A 56 -4.654 -15.597 -8.973 1.00 0.00 C ATOM 770 C LEU A 56 -3.751 -15.584 -7.744 1.00 0.00 C ATOM 771 O LEU A 56 -3.425 -16.632 -7.188 1.00 0.00 O ATOM 772 CB LEU A 56 -3.946 -16.293 -10.134 1.00 0.00 C ATOM 773 CG LEU A 56 -4.817 -17.266 -10.928 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.674 -18.104 -9.992 1.00 0.00 C ATOM 775 CD2 LEU A 56 -5.687 -16.513 -11.922 1.00 0.00 C ATOM 0 H LEU A 56 -4.232 -13.631 -9.547 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.564 -16.148 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.562 -15.533 -10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.085 -16.835 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.163 -17.937 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.287 -18.790 -10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.030 -18.673 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.320 -17.450 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.300 -17.222 -12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.332 -15.817 -11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.053 -15.960 -12.615 1.00 0.00 H new ATOM 787 N LEU A 57 -3.354 -14.386 -7.323 1.00 0.00 N ATOM 788 CA LEU A 57 -2.493 -14.232 -6.160 1.00 0.00 C ATOM 789 C LEU A 57 -3.071 -14.961 -4.956 1.00 0.00 C ATOM 790 O LEU A 57 -4.215 -14.729 -4.565 1.00 0.00 O ATOM 791 CB LEU A 57 -2.306 -12.751 -5.836 1.00 0.00 C ATOM 792 CG LEU A 57 -1.029 -12.417 -5.065 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.288 -11.268 -5.732 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.355 -12.078 -3.619 1.00 0.00 C ATOM 0 H LEU A 57 -3.617 -13.509 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.523 -14.671 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.308 -12.187 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.163 -12.410 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.380 -13.293 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.618 -11.044 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.022 -11.549 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.928 -10.386 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.435 -11.843 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.023 -11.217 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.842 -12.931 -3.146 1.00 0.00 H new ATOM 806 N CYS A 58 -2.273 -15.848 -4.376 1.00 0.00 N ATOM 807 CA CYS A 58 -2.705 -16.615 -3.219 1.00 0.00 C ATOM 808 C CYS A 58 -4.116 -17.150 -3.435 1.00 0.00 C ATOM 809 O CYS A 58 -4.855 -17.392 -2.481 1.00 0.00 O ATOM 810 CB CYS A 58 -2.642 -15.751 -1.959 1.00 0.00 C ATOM 811 SG CYS A 58 -0.960 -15.180 -1.552 1.00 0.00 S ATOM 0 H CYS A 58 -1.324 -16.053 -4.689 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.033 -17.463 -3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.290 -14.884 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.037 -16.320 -1.118 1.00 0.00 H new ATOM 816 N ARG A 59 -4.475 -17.335 -4.704 1.00 0.00 N ATOM 817 CA ARG A 59 -5.790 -17.848 -5.067 1.00 0.00 C ATOM 818 C ARG A 59 -5.960 -19.276 -4.567 1.00 0.00 C ATOM 819 O ARG A 59 -6.115 -20.210 -5.354 1.00 0.00 O ATOM 820 CB ARG A 59 -5.971 -17.797 -6.584 1.00 0.00 C ATOM 821 CG ARG A 59 -7.425 -17.779 -7.026 1.00 0.00 C ATOM 822 CD ARG A 59 -7.872 -19.143 -7.525 1.00 0.00 C ATOM 823 NE ARG A 59 -9.023 -19.648 -6.782 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.251 -19.157 -6.905 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.485 -18.152 -7.738 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.247 -19.670 -6.196 1.00 0.00 N ATOM 0 H ARG A 59 -3.869 -17.136 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.550 -17.223 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.472 -16.908 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.476 -18.660 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.056 -17.471 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.557 -17.040 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.125 -19.077 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.046 -19.849 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.876 -20.421 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.721 -17.755 -8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.429 -17.776 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.071 -20.443 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.189 -19.291 -6.292 1.00 0.00 H new ATOM 840 N GLY A 60 -5.919 -19.435 -3.250 1.00 0.00 N ATOM 841 CA GLY A 60 -6.057 -20.745 -2.649 1.00 0.00 C ATOM 842 C GLY A 60 -5.227 -20.871 -1.388 1.00 0.00 C ATOM 843 O GLY A 60 -5.424 -21.785 -0.589 1.00 0.00 O ATOM 0 H GLY A 60 -5.792 -18.673 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.105 -20.930 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.751 -21.508 -3.364 1.00 0.00 H new ATOM 847 N GLY A 61 -4.295 -19.938 -1.215 1.00 0.00 N ATOM 848 CA GLY A 61 -3.439 -19.944 -0.045 1.00 0.00 C ATOM 849 C GLY A 61 -3.727 -18.778 0.881 1.00 0.00 C ATOM 850 O GLY A 61 -4.824 -18.669 1.429 1.00 0.00 O ATOM 0 H GLY A 61 -4.118 -19.175 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.575 -20.879 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.396 -19.907 -0.360 1.00 0.00 H new ATOM 854 N VAL A 62 -2.743 -17.902 1.055 1.00 0.00 N ATOM 855 CA VAL A 62 -2.898 -16.735 1.916 1.00 0.00 C ATOM 856 C VAL A 62 -2.038 -15.576 1.423 1.00 0.00 C ATOM 857 O VAL A 62 -0.851 -15.746 1.146 1.00 0.00 O ATOM 858 CB VAL A 62 -2.522 -17.058 3.374 1.00 0.00 C ATOM 859 CG1 VAL A 62 -2.417 -15.782 4.196 1.00 0.00 C ATOM 860 CG2 VAL A 62 -3.533 -18.014 3.988 1.00 0.00 C ATOM 0 H VAL A 62 -1.828 -17.978 0.610 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.949 -16.448 1.878 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.547 -17.545 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.151 -16.032 5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.650 -15.136 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.375 -15.263 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.250 -18.230 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.522 -17.557 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.552 -18.941 3.415 1.00 0.00 H new ATOM 870 N CYS A 63 -2.645 -14.399 1.310 1.00 0.00 N ATOM 871 CA CYS A 63 -1.930 -13.218 0.844 1.00 0.00 C ATOM 872 C CYS A 63 -1.518 -12.324 2.008 1.00 0.00 C ATOM 873 O CYS A 63 -2.325 -11.561 2.539 1.00 0.00 O ATOM 874 CB CYS A 63 -2.790 -12.427 -0.144 1.00 0.00 C ATOM 875 SG CYS A 63 -4.469 -12.055 0.456 1.00 0.00 S ATOM 0 H CYS A 63 -3.627 -14.239 1.534 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.026 -13.556 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.285 -11.490 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.865 -12.990 -1.074 1.00 0.00 H new ATOM 880 N HIS A 64 -0.250 -12.421 2.391 1.00 0.00 N ATOM 881 CA HIS A 64 0.287 -11.620 3.484 1.00 0.00 C ATOM 882 C HIS A 64 0.839 -10.303 2.953 1.00 0.00 C ATOM 883 O HIS A 64 2.013 -9.986 3.143 1.00 0.00 O ATOM 884 CB HIS A 64 1.385 -12.387 4.221 1.00 0.00 C ATOM 885 CG HIS A 64 0.905 -13.650 4.863 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.013 -14.886 4.263 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.311 -13.866 6.062 1.00 0.00 C ATOM 888 CE1 HIS A 64 0.505 -15.808 5.062 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.074 -15.215 6.160 1.00 0.00 N ATOM 0 H HIS A 64 0.427 -13.049 1.959 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.521 -11.408 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.183 -12.627 3.519 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.817 -11.742 4.986 1.00 0.00 H new ATOM 0 HD1 HIS A 64 1.421 -15.062 3.345 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.069 -13.117 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.452 -16.866 4.852 1.00 0.00 H new ATOM 898 N ASN A 65 -0.018 -9.547 2.279 1.00 0.00 N ATOM 899 CA ASN A 65 0.372 -8.265 1.707 1.00 0.00 C ATOM 900 C ASN A 65 1.244 -7.468 2.673 1.00 0.00 C ATOM 901 O ASN A 65 0.769 -6.988 3.702 1.00 0.00 O ATOM 902 CB ASN A 65 -0.871 -7.457 1.338 1.00 0.00 C ATOM 903 CG ASN A 65 -0.551 -6.008 1.039 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.036 -5.305 1.862 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.936 -5.552 -0.146 1.00 0.00 N ATOM 0 H ASN A 65 -0.992 -9.801 2.115 1.00 0.00 H new ATOM 0 HA ASN A 65 0.956 -8.461 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.349 -7.908 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.589 -7.506 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.748 -4.584 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.420 -6.170 -0.798 1.00 0.00 H new ATOM 912 N THR A 66 2.518 -7.326 2.327 1.00 0.00 N ATOM 913 CA THR A 66 3.459 -6.582 3.156 1.00 0.00 C ATOM 914 C THR A 66 3.943 -5.325 2.441 1.00 0.00 C ATOM 915 O THR A 66 3.319 -4.863 1.486 1.00 0.00 O ATOM 916 CB THR A 66 4.675 -7.444 3.538 1.00 0.00 C ATOM 917 OG1 THR A 66 5.651 -7.408 2.490 1.00 0.00 O ATOM 918 CG2 THR A 66 4.255 -8.882 3.798 1.00 0.00 C ATOM 0 H THR A 66 2.924 -7.717 1.477 1.00 0.00 H new ATOM 0 HA THR A 66 2.927 -6.299 4.064 1.00 0.00 H new ATOM 0 HB THR A 66 5.110 -7.037 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.422 -7.958 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.130 -9.474 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.534 -8.908 4.615 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.799 -9.296 2.899 1.00 0.00 H new ATOM 926 N GLU A 67 5.058 -4.776 2.910 1.00 0.00 N ATOM 927 CA GLU A 67 5.625 -3.570 2.318 1.00 0.00 C ATOM 928 C GLU A 67 6.317 -3.880 0.993 1.00 0.00 C ATOM 929 O GLU A 67 6.996 -4.898 0.859 1.00 0.00 O ATOM 930 CB GLU A 67 6.618 -2.920 3.283 1.00 0.00 C ATOM 931 CG GLU A 67 6.051 -1.716 4.018 1.00 0.00 C ATOM 932 CD GLU A 67 7.030 -1.130 5.016 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.052 -1.788 5.302 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.774 -0.012 5.512 1.00 0.00 O ATOM 0 H GLU A 67 5.587 -5.147 3.699 1.00 0.00 H new ATOM 0 HA GLU A 67 4.807 -2.876 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.941 -3.662 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.504 -2.612 2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.774 -0.950 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.139 -2.009 4.538 1.00 0.00 H new ATOM 941 N GLY A 68 6.142 -2.990 0.021 1.00 0.00 N ATOM 942 CA GLY A 68 6.756 -3.174 -1.283 1.00 0.00 C ATOM 943 C GLY A 68 6.841 -4.632 -1.692 1.00 0.00 C ATOM 944 O GLY A 68 7.778 -5.035 -2.380 1.00 0.00 O ATOM 0 H GLY A 68 5.584 -2.141 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.183 -2.625 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.758 -2.746 -1.271 1.00 0.00 H new ATOM 948 N SER A 69 5.860 -5.423 -1.271 1.00 0.00 N ATOM 949 CA SER A 69 5.831 -6.843 -1.601 1.00 0.00 C ATOM 950 C SER A 69 4.724 -7.558 -0.834 1.00 0.00 C ATOM 951 O SER A 69 4.020 -6.950 -0.028 1.00 0.00 O ATOM 952 CB SER A 69 7.182 -7.489 -1.284 1.00 0.00 C ATOM 953 OG SER A 69 7.609 -8.324 -2.345 1.00 0.00 O ATOM 0 H SER A 69 5.076 -5.105 -0.701 1.00 0.00 H new ATOM 0 HA SER A 69 5.630 -6.937 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.927 -6.713 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.103 -8.073 -0.367 1.00 0.00 H new ATOM 0 HG SER A 69 8.475 -8.723 -2.119 1.00 0.00 H new ATOM 959 N TYR A 70 4.576 -8.854 -1.091 1.00 0.00 N ATOM 960 CA TYR A 70 3.556 -9.652 -0.424 1.00 0.00 C ATOM 961 C TYR A 70 4.029 -11.089 -0.236 1.00 0.00 C ATOM 962 O TYR A 70 4.797 -11.611 -1.043 1.00 0.00 O ATOM 963 CB TYR A 70 2.249 -9.613 -1.221 1.00 0.00 C ATOM 964 CG TYR A 70 2.099 -10.727 -2.231 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.648 -11.983 -1.848 1.00 0.00 C ATOM 966 CD2 TYR A 70 2.399 -10.517 -3.570 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.503 -12.999 -2.772 1.00 0.00 C ATOM 968 CE2 TYR A 70 2.256 -11.527 -4.500 1.00 0.00 C ATOM 969 CZ TYR A 70 1.808 -12.767 -4.096 1.00 0.00 C ATOM 970 OH TYR A 70 1.664 -13.777 -5.020 1.00 0.00 O ATOM 0 H TYR A 70 5.150 -9.373 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 70 3.375 -9.226 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.412 -9.656 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.183 -8.657 -1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.407 -12.168 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.750 -9.547 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.152 -13.971 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.494 -11.347 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 70 1.814 -14.642 -4.585 1.00 0.00 H new ATOM 980 N ARG A 71 3.574 -11.719 0.843 1.00 0.00 N ATOM 981 CA ARG A 71 3.964 -13.092 1.142 1.00 0.00 C ATOM 982 C ARG A 71 2.800 -14.059 0.954 1.00 0.00 C ATOM 983 O ARG A 71 1.810 -14.005 1.682 1.00 0.00 O ATOM 984 CB ARG A 71 4.492 -13.198 2.575 1.00 0.00 C ATOM 985 CG ARG A 71 4.781 -11.853 3.218 1.00 0.00 C ATOM 986 CD ARG A 71 6.004 -11.193 2.602 1.00 0.00 C ATOM 987 NE ARG A 71 7.248 -11.725 3.151 1.00 0.00 N ATOM 988 CZ ARG A 71 7.871 -12.794 2.663 1.00 0.00 C ATOM 989 NH1 ARG A 71 7.366 -13.441 1.622 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.000 -13.216 3.217 1.00 0.00 N ATOM 0 H ARG A 71 2.937 -11.302 1.522 1.00 0.00 H new ATOM 0 HA ARG A 71 4.754 -13.366 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.763 -13.733 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.404 -13.794 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.916 -11.200 3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.938 -11.986 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.991 -11.342 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.962 -10.118 2.776 1.00 0.00 H new ATOM 0 HE ARG A 71 7.662 -11.251 3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.498 -13.119 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.845 -14.261 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.391 -12.721 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.477 -14.036 2.842 1.00 0.00 H new ATOM 1004 N CYS A 72 2.936 -14.951 -0.020 1.00 0.00 N ATOM 1005 CA CYS A 72 1.906 -15.943 -0.301 1.00 0.00 C ATOM 1006 C CYS A 72 2.158 -17.206 0.522 1.00 0.00 C ATOM 1007 O CYS A 72 3.298 -17.655 0.648 1.00 0.00 O ATOM 1008 CB CYS A 72 1.892 -16.268 -1.797 1.00 0.00 C ATOM 1009 SG CYS A 72 0.232 -16.507 -2.520 1.00 0.00 S ATOM 0 H CYS A 72 3.752 -15.007 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 72 0.932 -15.539 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.393 -15.462 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.477 -17.172 -1.962 1.00 0.00 H new ATOM 1014 N GLU A 73 1.096 -17.764 1.097 1.00 0.00 N ATOM 1015 CA GLU A 73 1.220 -18.962 1.925 1.00 0.00 C ATOM 1016 C GLU A 73 0.148 -19.999 1.588 1.00 0.00 C ATOM 1017 O GLU A 73 -1.048 -19.726 1.695 1.00 0.00 O ATOM 1018 CB GLU A 73 1.122 -18.574 3.403 1.00 0.00 C ATOM 1019 CG GLU A 73 1.625 -19.644 4.357 1.00 0.00 C ATOM 1020 CD GLU A 73 2.006 -19.085 5.714 1.00 0.00 C ATOM 1021 OE1 GLU A 73 2.271 -17.868 5.800 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.038 -19.864 6.689 1.00 0.00 O ATOM 0 H GLU A 73 0.144 -17.409 1.006 1.00 0.00 H new ATOM 0 HA GLU A 73 2.191 -19.413 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.691 -17.659 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.082 -18.349 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.853 -20.403 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.490 -20.140 3.917 1.00 0.00 H new ATOM 1029 N CYS A 74 0.587 -21.188 1.188 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.331 -22.267 0.844 1.00 0.00 C ATOM 1031 C CYS A 74 -0.843 -23.000 2.090 1.00 0.00 C ATOM 1032 O CYS A 74 -1.975 -23.483 2.104 1.00 0.00 O ATOM 1033 CB CYS A 74 0.341 -23.261 -0.107 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.454 -23.389 -1.744 1.00 0.00 S ATOM 0 H CYS A 74 1.574 -21.428 1.094 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.189 -21.815 0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.382 -22.968 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.346 -24.246 0.360 1.00 0.00 H new ATOM 1039 N PRO A 75 -0.013 -23.114 3.154 1.00 0.00 N ATOM 1040 CA PRO A 75 1.349 -22.556 3.193 1.00 0.00 C ATOM 1041 C PRO A 75 2.299 -23.258 2.228 1.00 0.00 C ATOM 1042 O PRO A 75 1.949 -24.266 1.617 1.00 0.00 O ATOM 1043 CB PRO A 75 1.791 -22.800 4.640 1.00 0.00 C ATOM 1044 CG PRO A 75 0.967 -23.954 5.095 1.00 0.00 C ATOM 1045 CD PRO A 75 -0.362 -23.789 4.416 1.00 0.00 C ATOM 0 HA PRO A 75 1.363 -21.508 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.856 -23.026 4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.619 -21.921 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.433 -24.901 4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.857 -23.954 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.846 -24.750 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.049 -23.192 5.015 1.00 0.00 H new ATOM 1053 N PRO A 76 3.528 -22.733 2.099 1.00 0.00 N ATOM 1054 CA PRO A 76 4.547 -23.302 1.224 1.00 0.00 C ATOM 1055 C PRO A 76 4.505 -24.823 1.184 1.00 0.00 C ATOM 1056 O PRO A 76 4.843 -25.432 0.168 1.00 0.00 O ATOM 1057 CB PRO A 76 5.841 -22.813 1.864 1.00 0.00 C ATOM 1058 CG PRO A 76 5.491 -21.490 2.461 1.00 0.00 C ATOM 1059 CD PRO A 76 4.023 -21.544 2.814 1.00 0.00 C ATOM 0 HA PRO A 76 4.419 -23.000 0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.195 -23.509 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.637 -22.716 1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.095 -21.294 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.689 -20.683 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.874 -21.635 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.502 -20.641 2.495 1.00 0.00 H new ATOM 1067 N GLY A 77 4.082 -25.437 2.288 1.00 0.00 N ATOM 1068 CA GLY A 77 3.998 -26.887 2.336 1.00 0.00 C ATOM 1069 C GLY A 77 3.532 -27.454 1.012 1.00 0.00 C ATOM 1070 O GLY A 77 3.914 -28.557 0.623 1.00 0.00 O ATOM 0 H GLY A 77 3.798 -24.960 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.974 -27.302 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.309 -27.188 3.126 1.00 0.00 H new ATOM 1074 N HIS A 78 2.712 -26.675 0.317 1.00 0.00 N ATOM 1075 CA HIS A 78 2.188 -27.065 -0.982 1.00 0.00 C ATOM 1076 C HIS A 78 3.153 -26.612 -2.087 1.00 0.00 C ATOM 1077 O HIS A 78 4.348 -26.900 -2.016 1.00 0.00 O ATOM 1078 CB HIS A 78 0.796 -26.455 -1.168 1.00 0.00 C ATOM 1079 CG HIS A 78 -0.098 -27.256 -2.061 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -1.290 -26.776 -2.561 1.00 0.00 N ATOM 1081 CD2 HIS A 78 0.031 -28.514 -2.547 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -1.856 -27.704 -3.314 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.074 -28.767 -3.321 1.00 0.00 N ATOM 0 H HIS A 78 2.394 -25.760 0.638 1.00 0.00 H new ATOM 0 HA HIS A 78 2.098 -28.150 -1.041 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.321 -26.351 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.901 -25.451 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.851 -29.192 -2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.797 -27.608 -3.834 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.261 -29.636 -3.821 1.00 0.00 H new ATOM 1092 N GLN A 79 2.653 -25.894 -3.096 1.00 0.00 N ATOM 1093 CA GLN A 79 3.503 -25.409 -4.173 1.00 0.00 C ATOM 1094 C GLN A 79 3.054 -24.016 -4.585 1.00 0.00 C ATOM 1095 O GLN A 79 2.609 -23.795 -5.711 1.00 0.00 O ATOM 1096 CB GLN A 79 3.455 -26.362 -5.368 1.00 0.00 C ATOM 1097 CG GLN A 79 4.778 -27.057 -5.646 1.00 0.00 C ATOM 1098 CD GLN A 79 5.298 -26.778 -7.043 1.00 0.00 C ATOM 1099 OE1 GLN A 79 5.855 -27.660 -7.697 1.00 0.00 O ATOM 1100 NE2 GLN A 79 5.118 -25.547 -7.507 1.00 0.00 N ATOM 0 H GLN A 79 1.669 -25.640 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 79 4.533 -25.363 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.688 -27.116 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.154 -25.804 -6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.517 -26.730 -4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.654 -28.132 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.651 -24.848 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.447 -25.301 -8.441 1.00 0.00 H new ATOM 1109 N LEU A 80 3.155 -23.083 -3.644 1.00 0.00 N ATOM 1110 CA LEU A 80 2.744 -21.708 -3.876 1.00 0.00 C ATOM 1111 C LEU A 80 3.891 -20.869 -4.422 1.00 0.00 C ATOM 1112 O LEU A 80 4.997 -20.881 -3.883 1.00 0.00 O ATOM 1113 CB LEU A 80 2.225 -21.102 -2.571 1.00 0.00 C ATOM 1114 CG LEU A 80 1.904 -19.606 -2.609 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.568 -19.147 -4.021 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.756 -19.296 -1.662 1.00 0.00 C ATOM 0 H LEU A 80 3.521 -23.259 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 80 1.949 -21.710 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.324 -21.640 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.968 -21.275 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 80 2.790 -19.060 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.345 -18.080 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.418 -19.335 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.700 -19.697 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.535 -18.229 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.127 -19.860 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.036 -19.577 -0.647 1.00 0.00 H new ATOM 1128 N SER A 81 3.613 -20.137 -5.492 1.00 0.00 N ATOM 1129 CA SER A 81 4.612 -19.283 -6.116 1.00 0.00 C ATOM 1130 C SER A 81 5.080 -18.201 -5.147 1.00 0.00 C ATOM 1131 O SER A 81 4.270 -17.566 -4.474 1.00 0.00 O ATOM 1132 CB SER A 81 4.037 -18.637 -7.373 1.00 0.00 C ATOM 1133 OG SER A 81 2.622 -18.699 -7.376 1.00 0.00 O ATOM 0 H SER A 81 2.700 -20.118 -5.947 1.00 0.00 H new ATOM 0 HA SER A 81 5.468 -19.900 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.359 -17.597 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.428 -19.141 -8.256 1.00 0.00 H new ATOM 0 HG SER A 81 2.278 -18.277 -8.191 1.00 0.00 H new ATOM 1139 N PRO A 82 6.400 -17.978 -5.069 1.00 0.00 N ATOM 1140 CA PRO A 82 6.978 -16.965 -4.181 1.00 0.00 C ATOM 1141 C PRO A 82 6.317 -15.603 -4.350 1.00 0.00 C ATOM 1142 O PRO A 82 5.827 -15.016 -3.383 1.00 0.00 O ATOM 1143 CB PRO A 82 8.441 -16.902 -4.620 1.00 0.00 C ATOM 1144 CG PRO A 82 8.718 -18.241 -5.213 1.00 0.00 C ATOM 1145 CD PRO A 82 7.429 -18.694 -5.842 1.00 0.00 C ATOM 0 HA PRO A 82 6.843 -17.221 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.602 -16.106 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.099 -16.700 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.514 -18.181 -5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.047 -18.945 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.387 -18.438 -6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.305 -19.775 -5.771 1.00 0.00 H new ATOM 1153 N ASN A 83 6.308 -15.102 -5.580 1.00 0.00 N ATOM 1154 CA ASN A 83 5.707 -13.805 -5.869 1.00 0.00 C ATOM 1155 C ASN A 83 5.058 -13.789 -7.249 1.00 0.00 C ATOM 1156 O ASN A 83 4.913 -12.733 -7.864 1.00 0.00 O ATOM 1157 CB ASN A 83 6.761 -12.701 -5.776 1.00 0.00 C ATOM 1158 CG ASN A 83 7.015 -12.273 -4.346 1.00 0.00 C ATOM 1159 OD1 ASN A 83 8.161 -12.171 -3.910 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.942 -12.018 -3.606 1.00 0.00 N ATOM 0 H ASN A 83 6.709 -15.573 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 83 4.930 -13.625 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.693 -13.052 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.435 -11.840 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.050 -11.725 -2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.010 -12.116 -4.009 1.00 0.00 H new ATOM 1167 N ILE A 84 4.660 -14.963 -7.729 1.00 0.00 N ATOM 1168 CA ILE A 84 4.016 -15.071 -9.032 1.00 0.00 C ATOM 1169 C ILE A 84 2.502 -15.014 -8.880 1.00 0.00 C ATOM 1170 O ILE A 84 1.779 -14.747 -9.840 1.00 0.00 O ATOM 1171 CB ILE A 84 4.411 -16.368 -9.765 1.00 0.00 C ATOM 1172 CG1 ILE A 84 5.933 -16.474 -9.886 1.00 0.00 C ATOM 1173 CG2 ILE A 84 3.763 -16.412 -11.141 1.00 0.00 C ATOM 1174 CD1 ILE A 84 6.651 -16.504 -8.554 1.00 0.00 C ATOM 0 H ILE A 84 4.772 -15.849 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 84 4.358 -14.227 -9.631 1.00 0.00 H new ATOM 0 HB ILE A 84 4.054 -17.218 -9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.182 -17.377 -10.443 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.302 -15.629 -10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.050 -17.333 -11.649 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.679 -16.379 -11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.096 -15.556 -11.727 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.725 -16.580 -8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.433 -15.589 -8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 84 6.312 -17.364 -7.977 1.00 0.00 H new ATOM 1186 N SER A 85 2.033 -15.247 -7.657 1.00 0.00 N ATOM 1187 CA SER A 85 0.607 -15.203 -7.358 1.00 0.00 C ATOM 1188 C SER A 85 -0.131 -16.422 -7.910 1.00 0.00 C ATOM 1189 O SER A 85 -0.613 -16.400 -9.042 1.00 0.00 O ATOM 1190 CB SER A 85 -0.001 -13.918 -7.927 1.00 0.00 C ATOM 1191 OG SER A 85 -1.193 -14.188 -8.645 1.00 0.00 O ATOM 0 H SER A 85 2.623 -15.469 -6.855 1.00 0.00 H new ATOM 0 HA SER A 85 0.493 -15.216 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.212 -13.222 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.720 -13.432 -8.584 1.00 0.00 H new ATOM 0 HG SER A 85 -1.102 -13.862 -9.565 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.230 -17.479 -7.097 1.00 0.00 N ATOM 1198 CA ALA A 86 -0.929 -18.699 -7.504 1.00 0.00 C ATOM 1199 C ALA A 86 -0.451 -19.927 -6.730 1.00 0.00 C ATOM 1200 O ALA A 86 0.593 -20.499 -7.042 1.00 0.00 O ATOM 1201 CB ALA A 86 -0.761 -18.935 -8.998 1.00 0.00 C ATOM 0 H ALA A 86 0.164 -17.513 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.984 -18.552 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.287 -19.846 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.174 -18.090 -9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.298 -19.039 -9.233 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.234 -20.344 -5.735 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.900 -21.523 -4.939 1.00 0.00 C ATOM 1209 C CYS A 87 -0.930 -22.771 -5.818 1.00 0.00 C ATOM 1210 O CYS A 87 -1.703 -22.839 -6.774 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.896 -21.677 -3.786 1.00 0.00 C ATOM 1212 SG CYS A 87 -1.155 -21.522 -2.130 1.00 0.00 S ATOM 0 H CYS A 87 -2.102 -19.883 -5.462 1.00 0.00 H new ATOM 0 HA CYS A 87 0.102 -21.399 -4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.677 -20.925 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.378 -22.651 -3.866 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.093 -23.758 -5.502 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.055 -24.986 -6.287 1.00 0.00 C ATOM 1219 C ILE A 88 0.462 -26.155 -5.460 1.00 0.00 C ATOM 1220 O ILE A 88 0.805 -27.196 -6.058 1.00 0.00 O ATOM 1221 CB ILE A 88 0.827 -24.826 -7.541 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.935 -23.351 -7.937 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.264 -25.649 -8.689 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.706 -23.126 -9.218 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.516 -26.022 -4.221 1.00 0.00 O ATOM 0 H ILE A 88 0.559 -23.731 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.079 -25.192 -6.597 1.00 0.00 H new ATOM 0 HB ILE A 88 1.828 -25.191 -7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.068 -22.938 -8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.418 -22.801 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.896 -25.527 -9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.238 -26.701 -8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.746 -25.310 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.743 -22.059 -9.438 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.720 -23.508 -9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.211 -23.648 -10.037 1.00 0.00 H new