USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 434 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 4 HIS : +bothHN:sc= -0.757 K(o=-0.84,f=-9.1!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.0839 K(o=-0.84,f=-3) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 27 LYS NZ :NH3+ 164:sc= 0.205 (180deg=0.126) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00505) USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= -0.024 USER MOD Set 4.1: A 5 ASN : amide:sc= -2.93 K(o=-0.74,f=-6.8!) USER MOD Set 4.2: A 6 GLN : amide:sc= 1 K(o=-0.74,f=-2.6) USER MOD Set 4.3: A 13 THR OG1 : rot -99:sc= 1.19 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 8 SER OG : rot 32:sc= 1 USER MOD Single : A 9 SER OG : rot -71:sc= 0.639 USER MOD Single : A 10 GLN : amide:sc= -0.0625 X(o=-0.062,f=-0.51) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.931 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -0.945 K(o=-0.95,f=-2!) USER MOD Single : A 32 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.042 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.42) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.143 K(o=0.14,f=-7!) USER MOD Single : A 56 THR OG1 : rot 61:sc= 0.866 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 61 ASN : amide:sc= -3.29 K(o=-3.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.538 14.997 0.808 1.00 0.00 N ATOM 2 CA LEU A 1 0.452 13.583 0.358 1.00 0.00 C ATOM 3 C LEU A 1 -0.812 12.914 0.887 1.00 0.00 C ATOM 4 O LEU A 1 -1.301 13.251 1.965 1.00 0.00 O ATOM 5 CB LEU A 1 1.697 12.839 0.853 1.00 0.00 C ATOM 6 CG LEU A 1 2.546 12.198 -0.245 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.176 13.267 -1.124 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.616 11.306 0.363 1.00 0.00 C ATOM 0 H1 LEU A 1 1.407 15.428 0.434 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.288 15.523 0.458 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.555 15.030 1.847 1.00 0.00 H new ATOM 0 HA LEU A 1 0.406 13.553 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.320 13.537 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.384 12.062 1.550 1.00 0.00 H new ATOM 0 HG LEU A 1 1.898 11.581 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.777 12.793 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.392 13.866 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.812 13.910 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.211 10.858 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.262 11.901 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.143 10.519 0.950 1.00 0.00 H new ATOM 22 N GLU A 2 -1.338 11.964 0.120 1.00 0.00 N ATOM 23 CA GLU A 2 -2.548 11.249 0.511 1.00 0.00 C ATOM 24 C GLU A 2 -2.666 9.928 -0.243 1.00 0.00 C ATOM 25 O GLU A 2 -2.668 9.903 -1.474 1.00 0.00 O ATOM 26 CB GLU A 2 -3.783 12.115 0.251 1.00 0.00 C ATOM 27 CG GLU A 2 -4.740 12.179 1.430 1.00 0.00 C ATOM 28 CD GLU A 2 -5.970 13.016 1.135 1.00 0.00 C ATOM 29 OE1 GLU A 2 -6.572 12.828 0.058 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.330 13.859 1.983 1.00 0.00 O ATOM 0 H GLU A 2 -0.946 11.672 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.485 11.032 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.461 13.126 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.314 11.724 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.048 11.169 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.220 12.594 2.293 1.00 0.00 H new ATOM 37 N CYS A 3 -2.768 8.832 0.502 1.00 0.00 N ATOM 38 CA CYS A 3 -2.889 7.508 -0.098 1.00 0.00 C ATOM 39 C CYS A 3 -4.215 6.857 0.281 1.00 0.00 C ATOM 40 O CYS A 3 -4.884 7.287 1.222 1.00 0.00 O ATOM 41 CB CYS A 3 -1.727 6.616 0.339 1.00 0.00 C ATOM 42 SG CYS A 3 -0.398 6.470 -0.900 1.00 0.00 S ATOM 0 H CYS A 3 -2.769 8.834 1.522 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.859 7.626 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.306 7.012 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.111 5.621 0.564 1.00 0.00 H new ATOM 47 N HIS A 4 -4.590 5.818 -0.458 1.00 0.00 N ATOM 48 CA HIS A 4 -5.830 5.107 -0.209 1.00 0.00 C ATOM 49 C HIS A 4 -5.674 4.125 0.948 1.00 0.00 C ATOM 50 O HIS A 4 -4.937 3.144 0.848 1.00 0.00 O ATOM 51 CB HIS A 4 -6.254 4.363 -1.472 1.00 0.00 C ATOM 52 CG HIS A 4 -6.555 5.270 -2.624 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.795 5.840 -2.831 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.769 5.708 -3.636 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.757 6.589 -3.919 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.539 6.526 -4.425 1.00 0.00 N ATOM 0 H HIS A 4 -4.046 5.451 -1.239 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.597 5.832 0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.462 3.672 -1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.137 3.762 -1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.613 5.704 -2.237 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.730 5.460 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.582 7.156 -4.325 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.221 7.007 -5.266 1.00 0.00 H new ATOM 65 N ASN A 5 -6.374 4.395 2.045 1.00 0.00 N ATOM 66 CA ASN A 5 -6.314 3.534 3.221 1.00 0.00 C ATOM 67 C ASN A 5 -7.042 2.218 2.968 1.00 0.00 C ATOM 68 O ASN A 5 -6.633 1.166 3.460 1.00 0.00 O ATOM 69 CB ASN A 5 -6.925 4.241 4.430 1.00 0.00 C ATOM 70 CG ASN A 5 -8.283 4.823 4.136 1.00 0.00 C ATOM 71 OD1 ASN A 5 -8.795 4.717 3.022 1.00 0.00 O ATOM 72 ND2 ASN A 5 -8.874 5.443 5.144 1.00 0.00 N ATOM 0 H ASN A 5 -6.989 5.203 2.144 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.266 3.317 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.008 3.534 5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.256 5.037 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.796 5.860 5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.408 5.504 6.049 1.00 0.00 H new ATOM 79 N GLN A 6 -8.122 2.285 2.197 1.00 0.00 N ATOM 80 CA GLN A 6 -8.907 1.099 1.879 1.00 0.00 C ATOM 81 C GLN A 6 -8.100 0.134 1.017 1.00 0.00 C ATOM 82 O GLN A 6 -6.896 0.313 0.830 1.00 0.00 O ATOM 83 CB GLN A 6 -10.197 1.495 1.159 1.00 0.00 C ATOM 84 CG GLN A 6 -11.411 0.696 1.603 1.00 0.00 C ATOM 85 CD GLN A 6 -12.138 1.341 2.767 1.00 0.00 C ATOM 86 OE1 GLN A 6 -12.664 2.447 2.649 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.170 0.649 3.900 1.00 0.00 N ATOM 0 H GLN A 6 -8.473 3.148 1.781 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.163 0.597 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.388 2.555 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.059 1.364 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.098 0.590 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.097 -0.308 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.720 -0.265 3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.645 1.031 4.718 1.00 0.00 H new ATOM 96 N GLN A 7 -8.768 -0.891 0.496 1.00 0.00 N ATOM 97 CA GLN A 7 -8.107 -1.883 -0.342 1.00 0.00 C ATOM 98 C GLN A 7 -8.875 -2.101 -1.642 1.00 0.00 C ATOM 99 O GLN A 7 -9.805 -1.359 -1.958 1.00 0.00 O ATOM 100 CB GLN A 7 -7.966 -3.207 0.415 1.00 0.00 C ATOM 101 CG GLN A 7 -9.286 -3.910 0.673 1.00 0.00 C ATOM 102 CD GLN A 7 -9.606 -4.036 2.150 1.00 0.00 C ATOM 103 OE1 GLN A 7 -9.750 -5.141 2.674 1.00 0.00 O ATOM 104 NE2 GLN A 7 -9.720 -2.900 2.829 1.00 0.00 N ATOM 0 H GLN A 7 -9.764 -1.055 0.640 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.114 -1.508 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.316 -3.872 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.473 -3.018 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.087 -3.362 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.257 -4.904 0.226 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.592 -2.007 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.935 -2.921 3.826 1.00 0.00 H new ATOM 113 N SER A 8 -8.477 -3.122 -2.395 1.00 0.00 N ATOM 114 CA SER A 8 -9.123 -3.440 -3.664 1.00 0.00 C ATOM 115 C SER A 8 -10.634 -3.571 -3.494 1.00 0.00 C ATOM 116 O SER A 8 -11.119 -4.504 -2.854 1.00 0.00 O ATOM 117 CB SER A 8 -8.550 -4.735 -4.241 1.00 0.00 C ATOM 118 OG SER A 8 -8.932 -5.854 -3.460 1.00 0.00 O ATOM 0 H SER A 8 -7.708 -3.745 -2.147 1.00 0.00 H new ATOM 0 HA SER A 8 -8.925 -2.621 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.899 -4.866 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.463 -4.669 -4.281 1.00 0.00 H new ATOM 0 HG SER A 8 -9.814 -5.691 -3.064 1.00 0.00 H new ATOM 124 N SER A 9 -11.372 -2.628 -4.071 1.00 0.00 N ATOM 125 CA SER A 9 -12.827 -2.635 -3.984 1.00 0.00 C ATOM 126 C SER A 9 -13.445 -1.861 -5.143 1.00 0.00 C ATOM 127 O SER A 9 -12.737 -1.369 -6.023 1.00 0.00 O ATOM 128 CB SER A 9 -13.283 -2.033 -2.653 1.00 0.00 C ATOM 129 OG SER A 9 -12.650 -0.788 -2.412 1.00 0.00 O ATOM 0 H SER A 9 -10.985 -1.849 -4.604 1.00 0.00 H new ATOM 0 HA SER A 9 -13.164 -3.670 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.365 -1.899 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.055 -2.724 -1.841 1.00 0.00 H new ATOM 0 HG SER A 9 -11.704 -0.937 -2.206 1.00 0.00 H new ATOM 135 N GLN A 10 -14.770 -1.756 -5.139 1.00 0.00 N ATOM 136 CA GLN A 10 -15.485 -1.041 -6.191 1.00 0.00 C ATOM 137 C GLN A 10 -15.160 0.449 -6.158 1.00 0.00 C ATOM 138 O GLN A 10 -15.194 1.125 -7.186 1.00 0.00 O ATOM 139 CB GLN A 10 -16.993 -1.250 -6.041 1.00 0.00 C ATOM 140 CG GLN A 10 -17.535 -2.394 -6.883 1.00 0.00 C ATOM 141 CD GLN A 10 -18.435 -1.918 -8.007 1.00 0.00 C ATOM 142 OE1 GLN A 10 -18.232 -0.840 -8.565 1.00 0.00 O ATOM 143 NE2 GLN A 10 -19.437 -2.721 -8.343 1.00 0.00 N ATOM 0 H GLN A 10 -15.371 -2.157 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.162 -1.441 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.223 -1.441 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.508 -0.330 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.702 -2.957 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.091 -3.079 -6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.568 -3.606 -7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.076 -2.453 -9.091 1.00 0.00 H new ATOM 152 N THR A 11 -14.841 0.957 -4.970 1.00 0.00 N ATOM 153 CA THR A 11 -14.507 2.360 -4.802 1.00 0.00 C ATOM 154 C THR A 11 -13.925 2.617 -3.411 1.00 0.00 C ATOM 155 O THR A 11 -14.667 2.835 -2.452 1.00 0.00 O ATOM 156 CB THR A 11 -15.741 3.241 -5.025 1.00 0.00 C ATOM 157 OG1 THR A 11 -16.818 2.483 -5.545 1.00 0.00 O ATOM 158 CG2 THR A 11 -15.489 4.391 -5.974 1.00 0.00 C ATOM 0 H THR A 11 -14.808 0.411 -4.109 1.00 0.00 H new ATOM 0 HA THR A 11 -13.754 2.617 -5.547 1.00 0.00 H new ATOM 0 HB THR A 11 -15.985 3.645 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.594 3.066 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.402 4.975 -6.088 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.699 5.027 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.184 4.001 -6.945 1.00 0.00 H new ATOM 166 N PRO A 12 -12.587 2.595 -3.282 1.00 0.00 N ATOM 167 CA PRO A 12 -11.915 2.827 -1.999 1.00 0.00 C ATOM 168 C PRO A 12 -12.059 4.268 -1.522 1.00 0.00 C ATOM 169 O PRO A 12 -12.842 5.041 -2.074 1.00 0.00 O ATOM 170 CB PRO A 12 -10.449 2.508 -2.300 1.00 0.00 C ATOM 171 CG PRO A 12 -10.304 2.728 -3.765 1.00 0.00 C ATOM 172 CD PRO A 12 -11.625 2.344 -4.371 1.00 0.00 C ATOM 0 HA PRO A 12 -12.341 2.219 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.779 3.156 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.204 1.481 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.062 3.769 -3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.496 2.121 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.852 2.943 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.635 1.300 -4.683 1.00 0.00 H new ATOM 180 N THR A 13 -11.297 4.624 -0.492 1.00 0.00 N ATOM 181 CA THR A 13 -11.340 5.973 0.060 1.00 0.00 C ATOM 182 C THR A 13 -9.959 6.622 0.020 1.00 0.00 C ATOM 183 O THR A 13 -9.001 6.034 -0.483 1.00 0.00 O ATOM 184 CB THR A 13 -11.859 5.940 1.498 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.460 4.746 2.148 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.366 6.033 1.593 1.00 0.00 C ATOM 0 H THR A 13 -10.643 3.997 -0.023 1.00 0.00 H new ATOM 0 HA THR A 13 -12.019 6.568 -0.551 1.00 0.00 H new ATOM 0 HB THR A 13 -11.426 6.816 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.200 4.104 2.136 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.667 6.004 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.702 6.968 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.816 5.194 1.063 1.00 0.00 H new ATOM 194 N THR A 14 -9.865 7.836 0.551 1.00 0.00 N ATOM 195 CA THR A 14 -8.603 8.564 0.576 1.00 0.00 C ATOM 196 C THR A 14 -8.382 9.227 1.932 1.00 0.00 C ATOM 197 O THR A 14 -9.306 9.795 2.514 1.00 0.00 O ATOM 198 CB THR A 14 -8.578 9.620 -0.530 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.827 10.281 -0.620 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.260 9.049 -1.896 1.00 0.00 C ATOM 0 H THR A 14 -10.649 8.337 0.970 1.00 0.00 H new ATOM 0 HA THR A 14 -7.798 7.849 0.406 1.00 0.00 H new ATOM 0 HB THR A 14 -7.784 10.313 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.791 10.954 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.258 9.851 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.279 8.575 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.014 8.309 -2.166 1.00 0.00 H new ATOM 208 N THR A 15 -7.152 9.151 2.429 1.00 0.00 N ATOM 209 CA THR A 15 -6.809 9.744 3.717 1.00 0.00 C ATOM 210 C THR A 15 -5.302 9.955 3.833 1.00 0.00 C ATOM 211 O THR A 15 -4.515 9.047 3.562 1.00 0.00 O ATOM 212 CB THR A 15 -7.300 8.854 4.860 1.00 0.00 C ATOM 213 OG1 THR A 15 -7.055 9.466 6.113 1.00 0.00 O ATOM 214 CG2 THR A 15 -6.647 7.490 4.880 1.00 0.00 C ATOM 0 H THR A 15 -6.376 8.685 1.960 1.00 0.00 H new ATOM 0 HA THR A 15 -7.301 10.714 3.785 1.00 0.00 H new ATOM 0 HB THR A 15 -8.368 8.725 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.378 8.882 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.040 6.910 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.860 6.971 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.569 7.604 4.994 1.00 0.00 H new ATOM 222 N GLY A 16 -4.908 11.159 4.231 1.00 0.00 N ATOM 223 CA GLY A 16 -3.507 11.471 4.369 1.00 0.00 C ATOM 224 C GLY A 16 -2.912 10.945 5.661 1.00 0.00 C ATOM 225 O GLY A 16 -3.605 10.844 6.674 1.00 0.00 O ATOM 0 H GLY A 16 -5.541 11.925 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.961 11.050 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.374 12.552 4.327 1.00 0.00 H new ATOM 229 N CYS A 17 -1.627 10.612 5.625 1.00 0.00 N ATOM 230 CA CYS A 17 -0.938 10.094 6.802 1.00 0.00 C ATOM 231 C CYS A 17 -0.299 11.226 7.599 1.00 0.00 C ATOM 232 O CYS A 17 -0.496 12.402 7.295 1.00 0.00 O ATOM 233 CB CYS A 17 0.129 9.079 6.389 1.00 0.00 C ATOM 234 SG CYS A 17 -0.475 7.787 5.255 1.00 0.00 S ATOM 0 H CYS A 17 -1.041 10.691 4.794 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.674 9.598 7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.954 9.609 5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.529 8.604 7.284 1.00 0.00 H new ATOM 239 N SER A 18 0.470 10.863 8.621 1.00 0.00 N ATOM 240 CA SER A 18 1.140 11.847 9.462 1.00 0.00 C ATOM 241 C SER A 18 2.417 12.350 8.796 1.00 0.00 C ATOM 242 O SER A 18 3.120 11.591 8.130 1.00 0.00 O ATOM 243 CB SER A 18 1.467 11.244 10.829 1.00 0.00 C ATOM 244 OG SER A 18 1.295 12.198 11.863 1.00 0.00 O ATOM 0 H SER A 18 0.644 9.894 8.886 1.00 0.00 H new ATOM 0 HA SER A 18 0.465 12.692 9.599 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.824 10.384 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.495 10.880 10.833 1.00 0.00 H new ATOM 0 HG SER A 18 1.509 11.787 12.726 1.00 0.00 H new ATOM 250 N GLY A 19 2.708 13.635 8.979 1.00 0.00 N ATOM 251 CA GLY A 19 3.895 14.224 8.390 1.00 0.00 C ATOM 252 C GLY A 19 5.163 13.472 8.748 1.00 0.00 C ATOM 253 O GLY A 19 5.819 13.783 9.742 1.00 0.00 O ATOM 0 H GLY A 19 2.139 14.280 9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.785 14.246 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.985 15.258 8.722 1.00 0.00 H new ATOM 257 N GLY A 20 5.508 12.477 7.937 1.00 0.00 N ATOM 258 CA GLY A 20 6.694 11.695 8.183 1.00 0.00 C ATOM 259 C GLY A 20 6.808 10.508 7.247 1.00 0.00 C ATOM 260 O GLY A 20 7.909 10.121 6.855 1.00 0.00 O ATOM 0 H GLY A 20 4.979 12.201 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.574 12.329 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.686 11.342 9.214 1.00 0.00 H new ATOM 264 N GLU A 21 5.667 9.930 6.890 1.00 0.00 N ATOM 265 CA GLU A 21 5.638 8.779 5.995 1.00 0.00 C ATOM 266 C GLU A 21 5.231 9.198 4.586 1.00 0.00 C ATOM 267 O GLU A 21 4.071 9.523 4.334 1.00 0.00 O ATOM 268 CB GLU A 21 4.670 7.720 6.525 1.00 0.00 C ATOM 269 CG GLU A 21 5.134 6.294 6.275 1.00 0.00 C ATOM 270 CD GLU A 21 5.373 5.522 7.558 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.674 5.798 8.555 1.00 0.00 O ATOM 272 OE2 GLU A 21 6.261 4.644 7.566 1.00 0.00 O ATOM 0 H GLU A 21 4.748 10.240 7.207 1.00 0.00 H new ATOM 0 HA GLU A 21 6.641 8.355 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.535 7.867 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.696 7.864 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.387 5.773 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.054 6.313 5.691 1.00 0.00 H new ATOM 279 N ASN A 22 6.194 9.184 3.669 1.00 0.00 N ATOM 280 CA ASN A 22 5.935 9.561 2.284 1.00 0.00 C ATOM 281 C ASN A 22 5.946 8.334 1.376 1.00 0.00 C ATOM 282 O ASN A 22 6.287 8.426 0.197 1.00 0.00 O ATOM 283 CB ASN A 22 6.976 10.573 1.805 1.00 0.00 C ATOM 284 CG ASN A 22 6.569 12.004 2.097 1.00 0.00 C ATOM 285 OD1 ASN A 22 6.606 12.864 1.217 1.00 0.00 O ATOM 286 ND2 ASN A 22 6.176 12.264 3.338 1.00 0.00 N ATOM 0 H ASN A 22 7.159 8.916 3.860 1.00 0.00 H new ATOM 0 HA ASN A 22 4.947 10.018 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.931 10.364 2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.128 10.453 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.889 13.208 3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.161 11.519 4.035 1.00 0.00 H new ATOM 293 N ASN A 23 5.569 7.189 1.934 1.00 0.00 N ATOM 294 CA ASN A 23 5.535 5.944 1.176 1.00 0.00 C ATOM 295 C ASN A 23 4.282 5.141 1.510 1.00 0.00 C ATOM 296 O ASN A 23 3.779 5.195 2.632 1.00 0.00 O ATOM 297 CB ASN A 23 6.781 5.108 1.470 1.00 0.00 C ATOM 298 CG ASN A 23 8.009 5.626 0.747 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.244 5.297 -0.415 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.801 6.440 1.436 1.00 0.00 N ATOM 0 H ASN A 23 5.283 7.097 2.909 1.00 0.00 H new ATOM 0 HA ASN A 23 5.516 6.194 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.969 5.106 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.599 4.074 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.643 6.819 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.567 6.686 2.398 1.00 0.00 H new ATOM 307 N CYS A 24 3.783 4.395 0.529 1.00 0.00 N ATOM 308 CA CYS A 24 2.590 3.579 0.723 1.00 0.00 C ATOM 309 C CYS A 24 2.832 2.149 0.250 1.00 0.00 C ATOM 310 O CYS A 24 3.116 1.911 -0.923 1.00 0.00 O ATOM 311 CB CYS A 24 1.403 4.187 -0.022 1.00 0.00 C ATOM 312 SG CYS A 24 1.237 5.988 0.202 1.00 0.00 S ATOM 0 H CYS A 24 4.186 4.339 -0.406 1.00 0.00 H new ATOM 0 HA CYS A 24 2.361 3.556 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.504 3.971 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.487 3.702 0.316 1.00 0.00 H new ATOM 317 N TYR A 25 2.737 1.202 1.178 1.00 0.00 N ATOM 318 CA TYR A 25 2.962 -0.193 0.876 1.00 0.00 C ATOM 319 C TYR A 25 1.727 -0.866 0.291 1.00 0.00 C ATOM 320 O TYR A 25 0.595 -0.556 0.661 1.00 0.00 O ATOM 321 CB TYR A 25 3.400 -0.938 2.137 1.00 0.00 C ATOM 322 CG TYR A 25 2.278 -1.186 3.124 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.965 -0.240 4.093 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.530 -2.361 3.088 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.943 -0.456 4.998 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.506 -2.581 3.991 1.00 0.00 C ATOM 327 CZ TYR A 25 0.217 -1.625 4.942 1.00 0.00 C ATOM 328 OH TYR A 25 -0.801 -1.843 5.841 1.00 0.00 O ATOM 0 H TYR A 25 2.503 1.386 2.153 1.00 0.00 H new ATOM 0 HA TYR A 25 3.749 -0.235 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.836 -1.895 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.185 -0.366 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.530 0.679 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.753 -3.111 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.715 0.289 5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.065 -3.497 3.952 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.213 -2.715 5.664 1.00 0.00 H new ATOM 338 N LYS A 26 1.968 -1.821 -0.598 1.00 0.00 N ATOM 339 CA LYS A 26 0.901 -2.589 -1.216 1.00 0.00 C ATOM 340 C LYS A 26 1.118 -4.059 -0.892 1.00 0.00 C ATOM 341 O LYS A 26 2.257 -4.524 -0.850 1.00 0.00 O ATOM 342 CB LYS A 26 0.884 -2.371 -2.731 1.00 0.00 C ATOM 343 CG LYS A 26 -0.364 -2.914 -3.411 1.00 0.00 C ATOM 344 CD LYS A 26 -0.384 -2.575 -4.894 1.00 0.00 C ATOM 345 CE LYS A 26 -1.736 -2.031 -5.325 1.00 0.00 C ATOM 346 NZ LYS A 26 -2.819 -3.040 -5.162 1.00 0.00 N ATOM 0 H LYS A 26 2.904 -2.082 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.062 -2.260 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.964 -1.304 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.762 -2.847 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.408 -3.996 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.251 -2.500 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.391 -1.839 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.148 -3.467 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.975 -1.145 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.686 -1.718 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.715 -2.647 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.580 -3.896 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.919 -3.282 -4.156 1.00 0.00 H new ATOM 360 N LYS A 27 0.046 -4.787 -0.614 1.00 0.00 N ATOM 361 CA LYS A 27 0.176 -6.179 -0.256 1.00 0.00 C ATOM 362 C LYS A 27 -1.004 -7.006 -0.764 1.00 0.00 C ATOM 363 O LYS A 27 -2.159 -6.689 -0.482 1.00 0.00 O ATOM 364 CB LYS A 27 0.261 -6.283 1.262 1.00 0.00 C ATOM 365 CG LYS A 27 -0.608 -5.279 2.000 1.00 0.00 C ATOM 366 CD LYS A 27 -0.921 -5.749 3.412 1.00 0.00 C ATOM 367 CE LYS A 27 0.346 -5.931 4.233 1.00 0.00 C ATOM 368 NZ LYS A 27 0.170 -5.466 5.637 1.00 0.00 N ATOM 0 H LYS A 27 -0.911 -4.435 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 27 1.078 -6.576 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.029 -7.290 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.298 -6.144 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.100 -4.316 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.537 -5.127 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.572 -5.025 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.467 -6.691 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.631 -6.983 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.163 -5.379 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.938 -5.845 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.193 -4.427 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.744 -5.801 6.002 1.00 0.00 H new ATOM 382 N GLU A 28 -0.708 -8.072 -1.507 1.00 0.00 N ATOM 383 CA GLU A 28 -1.748 -8.939 -2.036 1.00 0.00 C ATOM 384 C GLU A 28 -1.648 -10.331 -1.420 1.00 0.00 C ATOM 385 O GLU A 28 -0.561 -10.902 -1.327 1.00 0.00 O ATOM 386 CB GLU A 28 -1.634 -9.038 -3.555 1.00 0.00 C ATOM 387 CG GLU A 28 -0.205 -9.075 -4.067 1.00 0.00 C ATOM 388 CD GLU A 28 -0.059 -9.925 -5.315 1.00 0.00 C ATOM 389 OE1 GLU A 28 -0.738 -9.625 -6.319 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.732 -10.890 -5.287 1.00 0.00 O ATOM 0 H GLU A 28 0.242 -8.351 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.716 -8.508 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.152 -9.937 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.148 -8.188 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.127 -8.059 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.448 -9.466 -3.286 1.00 0.00 H new ATOM 397 N TRP A 29 -2.787 -10.875 -1.003 1.00 0.00 N ATOM 398 CA TRP A 29 -2.819 -12.202 -0.400 1.00 0.00 C ATOM 399 C TRP A 29 -4.067 -12.966 -0.830 1.00 0.00 C ATOM 400 O TRP A 29 -5.149 -12.392 -0.952 1.00 0.00 O ATOM 401 CB TRP A 29 -2.754 -12.102 1.131 1.00 0.00 C ATOM 402 CG TRP A 29 -4.053 -11.729 1.773 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.793 -12.516 2.596 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.759 -10.487 1.657 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.926 -11.852 2.996 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.928 -10.602 2.434 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.521 -9.290 0.973 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.855 -9.569 2.544 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -5.443 -8.266 1.084 1.00 0.00 C ATOM 410 CH2 TRP A 29 -6.597 -8.411 1.864 1.00 0.00 C ATOM 0 H TRP A 29 -3.697 -10.419 -1.071 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.945 -12.752 -0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.423 -13.060 1.534 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.000 -11.364 1.405 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.528 -13.520 2.893 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.648 -12.227 3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.634 -9.168 0.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.746 -9.678 3.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.270 -7.338 0.560 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.297 -7.592 1.930 1.00 0.00 H new ATOM 421 N ARG A 30 -3.907 -14.266 -1.061 1.00 0.00 N ATOM 422 CA ARG A 30 -5.016 -15.110 -1.479 1.00 0.00 C ATOM 423 C ARG A 30 -5.597 -15.874 -0.293 1.00 0.00 C ATOM 424 O ARG A 30 -5.025 -15.876 0.797 1.00 0.00 O ATOM 425 CB ARG A 30 -4.553 -16.093 -2.557 1.00 0.00 C ATOM 426 CG ARG A 30 -3.164 -16.663 -2.316 1.00 0.00 C ATOM 427 CD ARG A 30 -2.844 -17.783 -3.291 1.00 0.00 C ATOM 428 NE ARG A 30 -1.407 -17.920 -3.515 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.856 -18.904 -4.220 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.618 -19.843 -4.770 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.459 -18.953 -4.377 1.00 0.00 N ATOM 0 H ARG A 30 -3.018 -14.756 -0.965 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.796 -14.468 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.267 -16.915 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.566 -15.589 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.422 -15.870 -2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.096 -17.038 -1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.242 -18.722 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.342 -17.590 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.789 -17.219 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.631 -19.811 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.190 -20.595 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.050 -18.236 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.880 -19.708 -4.918 1.00 0.00 H new ATOM 445 N ASP A 31 -6.737 -16.520 -0.515 1.00 0.00 N ATOM 446 CA ASP A 31 -7.397 -17.289 0.534 1.00 0.00 C ATOM 447 C ASP A 31 -8.085 -18.520 -0.049 1.00 0.00 C ATOM 448 O ASP A 31 -9.307 -18.652 0.016 1.00 0.00 O ATOM 449 CB ASP A 31 -8.416 -16.416 1.269 1.00 0.00 C ATOM 450 CG ASP A 31 -9.325 -15.663 0.319 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.865 -14.668 -0.279 1.00 0.00 O ATOM 452 OD2 ASP A 31 -10.497 -16.070 0.170 1.00 0.00 O ATOM 0 H ASP A 31 -7.223 -16.526 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.639 -17.621 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.020 -17.042 1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.889 -15.704 1.904 1.00 0.00 H new ATOM 457 N ASN A 32 -7.288 -19.417 -0.622 1.00 0.00 N ATOM 458 CA ASN A 32 -7.810 -20.641 -1.221 1.00 0.00 C ATOM 459 C ASN A 32 -8.693 -20.326 -2.427 1.00 0.00 C ATOM 460 O ASN A 32 -8.268 -20.474 -3.573 1.00 0.00 O ATOM 461 CB ASN A 32 -8.596 -21.452 -0.185 1.00 0.00 C ATOM 462 CG ASN A 32 -9.148 -22.743 -0.757 1.00 0.00 C ATOM 463 OD1 ASN A 32 -8.410 -23.553 -1.319 1.00 0.00 O ATOM 464 ND2 ASN A 32 -10.453 -22.943 -0.616 1.00 0.00 N ATOM 0 H ASN A 32 -6.275 -19.318 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.964 -21.236 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.948 -21.681 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.418 -20.847 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.881 -23.794 -0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.028 -22.245 -0.143 1.00 0.00 H new ATOM 471 N ARG A 33 -9.923 -19.893 -2.164 1.00 0.00 N ATOM 472 CA ARG A 33 -10.860 -19.564 -3.236 1.00 0.00 C ATOM 473 C ARG A 33 -10.433 -18.295 -3.973 1.00 0.00 C ATOM 474 O ARG A 33 -9.812 -18.366 -5.033 1.00 0.00 O ATOM 475 CB ARG A 33 -12.289 -19.411 -2.697 1.00 0.00 C ATOM 476 CG ARG A 33 -12.364 -18.875 -1.278 1.00 0.00 C ATOM 477 CD ARG A 33 -12.614 -19.988 -0.273 1.00 0.00 C ATOM 478 NE ARG A 33 -13.437 -19.541 0.848 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.760 -19.400 0.789 1.00 0.00 C ATOM 480 NH1 ARG A 33 -15.413 -19.670 -0.335 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.431 -18.989 1.854 1.00 0.00 N ATOM 0 H ARG A 33 -10.294 -19.762 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.848 -20.392 -3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.844 -18.743 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.785 -20.381 -2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.433 -18.364 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.162 -18.136 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.105 -20.823 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.660 -20.358 0.103 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.970 -19.324 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.901 -19.987 -1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.426 -19.560 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.935 -18.780 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.444 -18.881 1.808 1.00 0.00 H new ATOM 495 N GLY A 34 -10.770 -17.137 -3.412 1.00 0.00 N ATOM 496 CA GLY A 34 -10.411 -15.878 -4.040 1.00 0.00 C ATOM 497 C GLY A 34 -9.202 -15.229 -3.396 1.00 0.00 C ATOM 498 O GLY A 34 -8.514 -15.850 -2.587 1.00 0.00 O ATOM 0 H GLY A 34 -11.284 -17.048 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.207 -16.049 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.258 -15.194 -3.985 1.00 0.00 H new ATOM 502 N TYR A 35 -8.944 -13.975 -3.753 1.00 0.00 N ATOM 503 CA TYR A 35 -7.810 -13.241 -3.204 1.00 0.00 C ATOM 504 C TYR A 35 -8.106 -11.746 -3.139 1.00 0.00 C ATOM 505 O TYR A 35 -9.099 -11.274 -3.694 1.00 0.00 O ATOM 506 CB TYR A 35 -6.558 -13.488 -4.046 1.00 0.00 C ATOM 507 CG TYR A 35 -6.798 -13.390 -5.536 1.00 0.00 C ATOM 508 CD1 TYR A 35 -7.014 -12.162 -6.146 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.807 -14.528 -6.333 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.232 -12.069 -7.508 1.00 0.00 C ATOM 511 CE2 TYR A 35 -7.024 -14.444 -7.695 1.00 0.00 C ATOM 512 CZ TYR A 35 -7.237 -13.213 -8.277 1.00 0.00 C ATOM 513 OH TYR A 35 -7.452 -13.125 -9.633 1.00 0.00 O ATOM 0 H TYR A 35 -9.505 -13.446 -4.420 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.635 -13.602 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.792 -12.766 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.165 -14.478 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.012 -11.264 -5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.642 -15.495 -5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.397 -11.105 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.027 -15.338 -8.300 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.423 -14.022 -10.028 1.00 0.00 H new ATOM 523 N ARG A 36 -7.237 -11.006 -2.459 1.00 0.00 N ATOM 524 CA ARG A 36 -7.400 -9.564 -2.321 1.00 0.00 C ATOM 525 C ARG A 36 -6.048 -8.881 -2.145 1.00 0.00 C ATOM 526 O ARG A 36 -5.006 -9.536 -2.139 1.00 0.00 O ATOM 527 CB ARG A 36 -8.304 -9.243 -1.129 1.00 0.00 C ATOM 528 CG ARG A 36 -9.777 -9.143 -1.493 1.00 0.00 C ATOM 529 CD ARG A 36 -10.655 -9.873 -0.489 1.00 0.00 C ATOM 530 NE ARG A 36 -11.681 -10.681 -1.145 1.00 0.00 N ATOM 531 CZ ARG A 36 -12.685 -10.170 -1.853 1.00 0.00 C ATOM 532 NH1 ARG A 36 -12.807 -8.856 -1.995 1.00 0.00 N ATOM 533 NH2 ARG A 36 -13.573 -10.975 -2.421 1.00 0.00 N ATOM 0 H ARG A 36 -6.411 -11.382 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.864 -9.186 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.177 -10.014 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.983 -8.301 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.070 -8.094 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.935 -9.561 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.034 -10.514 0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.131 -9.148 0.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.624 -11.695 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.129 -8.231 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.579 -8.471 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.486 -11.986 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.343 -10.583 -2.964 1.00 0.00 H new ATOM 547 N THR A 37 -6.071 -7.560 -2.002 1.00 0.00 N ATOM 548 CA THR A 37 -4.845 -6.790 -1.825 1.00 0.00 C ATOM 549 C THR A 37 -5.136 -5.455 -1.149 1.00 0.00 C ATOM 550 O THR A 37 -5.924 -4.654 -1.650 1.00 0.00 O ATOM 551 CB THR A 37 -4.166 -6.556 -3.175 1.00 0.00 C ATOM 552 OG1 THR A 37 -2.923 -5.898 -3.004 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.997 -5.725 -4.128 1.00 0.00 C ATOM 0 H THR A 37 -6.924 -7.001 -2.005 1.00 0.00 H new ATOM 0 HA THR A 37 -4.174 -7.362 -1.184 1.00 0.00 H new ATOM 0 HB THR A 37 -4.032 -7.548 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.503 -5.759 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.456 -5.597 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.944 -6.230 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.191 -4.748 -3.685 1.00 0.00 H new ATOM 561 N GLU A 38 -4.493 -5.221 -0.008 1.00 0.00 N ATOM 562 CA GLU A 38 -4.682 -3.986 0.735 1.00 0.00 C ATOM 563 C GLU A 38 -3.450 -3.097 0.621 1.00 0.00 C ATOM 564 O GLU A 38 -2.416 -3.517 0.100 1.00 0.00 O ATOM 565 CB GLU A 38 -4.973 -4.283 2.208 1.00 0.00 C ATOM 566 CG GLU A 38 -4.264 -5.517 2.747 1.00 0.00 C ATOM 567 CD GLU A 38 -3.985 -5.424 4.235 1.00 0.00 C ATOM 568 OE1 GLU A 38 -3.692 -4.309 4.715 1.00 0.00 O ATOM 569 OE2 GLU A 38 -4.061 -6.467 4.919 1.00 0.00 O ATOM 0 H GLU A 38 -3.836 -5.874 0.420 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.536 -3.461 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.681 -3.420 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.048 -4.410 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.875 -6.398 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.324 -5.654 2.212 1.00 0.00 H new ATOM 576 N ARG A 39 -3.564 -1.868 1.110 1.00 0.00 N ATOM 577 CA ARG A 39 -2.458 -0.924 1.060 1.00 0.00 C ATOM 578 C ARG A 39 -2.445 -0.029 2.294 1.00 0.00 C ATOM 579 O ARG A 39 -3.341 -0.100 3.135 1.00 0.00 O ATOM 580 CB ARG A 39 -2.545 -0.071 -0.206 1.00 0.00 C ATOM 581 CG ARG A 39 -2.720 -0.888 -1.476 1.00 0.00 C ATOM 582 CD ARG A 39 -4.189 -1.113 -1.797 1.00 0.00 C ATOM 583 NE ARG A 39 -4.861 0.125 -2.186 1.00 0.00 N ATOM 584 CZ ARG A 39 -6.032 0.164 -2.819 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.662 -0.960 -3.135 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.573 1.332 -3.140 1.00 0.00 N ATOM 0 H ARG A 39 -4.411 -1.503 1.545 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.529 -1.494 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.381 0.622 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.640 0.531 -0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.239 -0.375 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.220 -1.850 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.276 -1.841 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.689 -1.539 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.407 1.010 -1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.250 -1.861 -2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.559 -0.923 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.092 2.199 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.470 1.363 -3.625 1.00 0.00 H new ATOM 600 N GLY A 40 -1.419 0.808 2.395 1.00 0.00 N ATOM 601 CA GLY A 40 -1.299 1.707 3.526 1.00 0.00 C ATOM 602 C GLY A 40 0.013 2.464 3.512 1.00 0.00 C ATOM 603 O GLY A 40 0.816 2.302 2.595 1.00 0.00 O ATOM 0 H GLY A 40 -0.666 0.880 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.127 2.416 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.379 1.138 4.452 1.00 0.00 H new ATOM 607 N CYS A 41 0.232 3.293 4.528 1.00 0.00 N ATOM 608 CA CYS A 41 1.459 4.076 4.619 1.00 0.00 C ATOM 609 C CYS A 41 2.609 3.228 5.156 1.00 0.00 C ATOM 610 O CYS A 41 2.414 2.381 6.028 1.00 0.00 O ATOM 611 CB CYS A 41 1.244 5.299 5.513 1.00 0.00 C ATOM 612 SG CYS A 41 1.222 6.880 4.608 1.00 0.00 S ATOM 0 H CYS A 41 -0.422 3.439 5.297 1.00 0.00 H new ATOM 0 HA CYS A 41 1.721 4.413 3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.301 5.185 6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.034 5.332 6.263 1.00 0.00 H new ATOM 617 N GLY A 42 3.806 3.461 4.626 1.00 0.00 N ATOM 618 CA GLY A 42 4.970 2.711 5.058 1.00 0.00 C ATOM 619 C GLY A 42 5.429 1.706 4.020 1.00 0.00 C ATOM 620 O GLY A 42 4.912 1.682 2.904 1.00 0.00 O ATOM 0 H GLY A 42 3.990 4.157 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.784 3.402 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.739 2.190 5.987 1.00 0.00 H new ATOM 624 N CYS A 43 6.400 0.876 4.389 1.00 0.00 N ATOM 625 CA CYS A 43 6.930 -0.139 3.483 1.00 0.00 C ATOM 626 C CYS A 43 8.019 -0.962 4.167 1.00 0.00 C ATOM 627 O CYS A 43 9.194 -0.874 3.810 1.00 0.00 O ATOM 628 CB CYS A 43 7.487 0.514 2.215 1.00 0.00 C ATOM 629 SG CYS A 43 7.975 -0.672 0.919 1.00 0.00 S ATOM 0 H CYS A 43 6.837 0.886 5.311 1.00 0.00 H new ATOM 0 HA CYS A 43 6.113 -0.806 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.736 1.191 1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.352 1.121 2.482 1.00 0.00 H new ATOM 634 N PRO A 44 7.642 -1.777 5.168 1.00 0.00 N ATOM 635 CA PRO A 44 8.595 -2.616 5.904 1.00 0.00 C ATOM 636 C PRO A 44 9.168 -3.736 5.043 1.00 0.00 C ATOM 637 O PRO A 44 8.799 -3.889 3.878 1.00 0.00 O ATOM 638 CB PRO A 44 7.756 -3.196 7.045 1.00 0.00 C ATOM 639 CG PRO A 44 6.354 -3.158 6.543 1.00 0.00 C ATOM 640 CD PRO A 44 6.262 -1.943 5.661 1.00 0.00 C ATOM 0 HA PRO A 44 9.460 -2.045 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.063 -4.214 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.866 -2.608 7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.114 -4.064 5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.645 -3.095 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.558 -2.092 4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.925 -1.068 6.216 1.00 0.00 H new ATOM 648 N SER A 45 10.073 -4.518 5.624 1.00 0.00 N ATOM 649 CA SER A 45 10.700 -5.626 4.912 1.00 0.00 C ATOM 650 C SER A 45 9.713 -6.771 4.707 1.00 0.00 C ATOM 651 O SER A 45 9.594 -7.660 5.549 1.00 0.00 O ATOM 652 CB SER A 45 11.925 -6.124 5.680 1.00 0.00 C ATOM 653 OG SER A 45 12.420 -5.126 6.555 1.00 0.00 O ATOM 0 H SER A 45 10.389 -4.404 6.587 1.00 0.00 H new ATOM 0 HA SER A 45 11.015 -5.264 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.663 -7.015 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.705 -6.415 4.977 1.00 0.00 H new ATOM 0 HG SER A 45 13.202 -5.470 7.035 1.00 0.00 H new ATOM 659 N VAL A 46 9.007 -6.742 3.581 1.00 0.00 N ATOM 660 CA VAL A 46 8.033 -7.772 3.261 1.00 0.00 C ATOM 661 C VAL A 46 8.710 -9.021 2.708 1.00 0.00 C ATOM 662 O VAL A 46 9.933 -9.066 2.568 1.00 0.00 O ATOM 663 CB VAL A 46 7.006 -7.263 2.235 1.00 0.00 C ATOM 664 CG1 VAL A 46 6.015 -6.316 2.893 1.00 0.00 C ATOM 665 CG2 VAL A 46 7.705 -6.588 1.064 1.00 0.00 C ATOM 0 H VAL A 46 9.094 -6.012 2.874 1.00 0.00 H new ATOM 0 HA VAL A 46 7.521 -8.025 4.189 1.00 0.00 H new ATOM 0 HB VAL A 46 6.453 -8.120 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.297 -5.967 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.487 -6.839 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.549 -5.462 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.961 -6.235 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.289 -5.742 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.367 -7.302 0.575 1.00 0.00 H new ATOM 675 N LYS A 47 7.907 -10.033 2.395 1.00 0.00 N ATOM 676 CA LYS A 47 8.428 -11.283 1.855 1.00 0.00 C ATOM 677 C LYS A 47 7.901 -11.526 0.444 1.00 0.00 C ATOM 678 O LYS A 47 7.188 -10.692 -0.114 1.00 0.00 O ATOM 679 CB LYS A 47 8.047 -12.455 2.765 1.00 0.00 C ATOM 680 CG LYS A 47 6.602 -12.414 3.237 1.00 0.00 C ATOM 681 CD LYS A 47 6.283 -13.588 4.150 1.00 0.00 C ATOM 682 CE LYS A 47 4.817 -13.984 4.059 1.00 0.00 C ATOM 683 NZ LYS A 47 4.651 -15.407 3.651 1.00 0.00 N ATOM 0 H LYS A 47 6.893 -10.012 2.506 1.00 0.00 H new ATOM 0 HA LYS A 47 9.514 -11.207 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.220 -13.390 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.705 -12.458 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.417 -11.479 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.935 -12.430 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.908 -14.439 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.527 -13.326 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.337 -13.825 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.310 -13.339 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.715 -15.747 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.733 -15.484 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.389 -15.985 4.101 1.00 0.00 H new ATOM 697 N LYS A 48 8.257 -12.672 -0.129 1.00 0.00 N ATOM 698 CA LYS A 48 7.819 -13.019 -1.476 1.00 0.00 C ATOM 699 C LYS A 48 6.530 -13.835 -1.440 1.00 0.00 C ATOM 700 O LYS A 48 6.417 -14.868 -2.100 1.00 0.00 O ATOM 701 CB LYS A 48 8.916 -13.803 -2.202 1.00 0.00 C ATOM 702 CG LYS A 48 9.052 -13.437 -3.672 1.00 0.00 C ATOM 703 CD LYS A 48 8.452 -14.507 -4.572 1.00 0.00 C ATOM 704 CE LYS A 48 8.139 -13.960 -5.955 1.00 0.00 C ATOM 705 NZ LYS A 48 9.216 -14.277 -6.934 1.00 0.00 N ATOM 0 H LYS A 48 8.846 -13.374 0.318 1.00 0.00 H new ATOM 0 HA LYS A 48 7.622 -12.094 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.869 -13.627 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.705 -14.869 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.556 -12.484 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.105 -13.302 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.147 -15.342 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.540 -14.896 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.195 -14.378 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.008 -12.880 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.965 -13.887 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.112 -13.857 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.324 -15.309 -7.009 1.00 0.00 H new ATOM 719 N GLY A 49 5.557 -13.361 -0.669 1.00 0.00 N ATOM 720 CA GLY A 49 4.287 -14.055 -0.563 1.00 0.00 C ATOM 721 C GLY A 49 3.159 -13.127 -0.156 1.00 0.00 C ATOM 722 O GLY A 49 2.726 -12.284 -0.943 1.00 0.00 O ATOM 0 H GLY A 49 5.626 -12.507 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.047 -14.518 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.374 -14.860 0.167 1.00 0.00 H new ATOM 726 N ILE A 50 2.684 -13.282 1.074 1.00 0.00 N ATOM 727 CA ILE A 50 1.601 -12.453 1.587 1.00 0.00 C ATOM 728 C ILE A 50 1.970 -10.974 1.551 1.00 0.00 C ATOM 729 O ILE A 50 2.466 -10.424 2.535 1.00 0.00 O ATOM 730 CB ILE A 50 1.244 -12.852 3.023 1.00 0.00 C ATOM 731 CG1 ILE A 50 0.981 -14.355 3.089 1.00 0.00 C ATOM 732 CG2 ILE A 50 0.031 -12.072 3.509 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.107 -14.876 1.966 1.00 0.00 C ATOM 0 H ILE A 50 3.033 -13.976 1.736 1.00 0.00 H new ATOM 0 HA ILE A 50 0.737 -12.615 0.942 1.00 0.00 H new ATOM 0 HB ILE A 50 2.082 -12.612 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.935 -14.882 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.508 -14.590 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.207 -12.369 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.251 -11.005 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.820 -12.283 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.033 -15.951 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.862 -14.378 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.587 -14.675 1.008 1.00 0.00 H new ATOM 745 N GLY A 51 1.731 -10.335 0.412 1.00 0.00 N ATOM 746 CA GLY A 51 2.050 -8.926 0.272 1.00 0.00 C ATOM 747 C GLY A 51 2.519 -8.570 -1.119 1.00 0.00 C ATOM 748 O GLY A 51 2.250 -9.292 -2.078 1.00 0.00 O ATOM 0 H GLY A 51 1.322 -10.767 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.169 -8.332 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.824 -8.660 0.991 1.00 0.00 H new ATOM 752 N ILE A 52 3.218 -7.452 -1.225 1.00 0.00 N ATOM 753 CA ILE A 52 3.738 -6.989 -2.506 1.00 0.00 C ATOM 754 C ILE A 52 4.640 -5.769 -2.324 1.00 0.00 C ATOM 755 O ILE A 52 5.112 -5.491 -1.221 1.00 0.00 O ATOM 756 CB ILE A 52 2.594 -6.716 -3.526 1.00 0.00 C ATOM 757 CG1 ILE A 52 3.070 -7.030 -4.950 1.00 0.00 C ATOM 758 CG2 ILE A 52 2.061 -5.287 -3.445 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.292 -8.143 -5.616 1.00 0.00 C ATOM 0 H ILE A 52 3.440 -6.844 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 52 4.349 -7.789 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 52 1.767 -7.376 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.991 -6.129 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.125 -7.303 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.266 -5.153 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.668 -5.101 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.868 -4.585 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.683 -8.310 -6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.391 -9.057 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.240 -7.865 -5.678 1.00 0.00 H new ATOM 771 N ASN A 53 4.893 -5.064 -3.414 1.00 0.00 N ATOM 772 CA ASN A 53 5.761 -3.888 -3.391 1.00 0.00 C ATOM 773 C ASN A 53 5.034 -2.652 -2.870 1.00 0.00 C ATOM 774 O ASN A 53 3.870 -2.719 -2.478 1.00 0.00 O ATOM 775 CB ASN A 53 6.307 -3.613 -4.794 1.00 0.00 C ATOM 776 CG ASN A 53 5.204 -3.332 -5.796 1.00 0.00 C ATOM 777 OD1 ASN A 53 4.177 -4.010 -5.812 1.00 0.00 O ATOM 778 ND2 ASN A 53 5.413 -2.328 -6.639 1.00 0.00 N ATOM 0 H ASN A 53 4.509 -5.284 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 53 6.584 -4.102 -2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.986 -2.761 -4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.890 -4.471 -5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.707 -2.092 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.280 -1.793 -6.590 1.00 0.00 H new ATOM 785 N CYS A 54 5.742 -1.525 -2.870 1.00 0.00 N ATOM 786 CA CYS A 54 5.184 -0.261 -2.399 1.00 0.00 C ATOM 787 C CYS A 54 5.366 0.834 -3.446 1.00 0.00 C ATOM 788 O CYS A 54 5.767 0.565 -4.578 1.00 0.00 O ATOM 789 CB CYS A 54 5.857 0.165 -1.090 1.00 0.00 C ATOM 790 SG CYS A 54 6.215 -1.207 0.057 1.00 0.00 S ATOM 0 H CYS A 54 6.708 -1.462 -3.193 1.00 0.00 H new ATOM 0 HA CYS A 54 4.118 -0.408 -2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.790 0.678 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.215 0.887 -0.584 1.00 0.00 H new ATOM 795 N CYS A 55 5.077 2.071 -3.057 1.00 0.00 N ATOM 796 CA CYS A 55 5.217 3.212 -3.956 1.00 0.00 C ATOM 797 C CYS A 55 5.432 4.501 -3.169 1.00 0.00 C ATOM 798 O CYS A 55 5.398 4.499 -1.938 1.00 0.00 O ATOM 799 CB CYS A 55 3.985 3.348 -4.854 1.00 0.00 C ATOM 800 SG CYS A 55 2.396 3.289 -3.962 1.00 0.00 S ATOM 0 H CYS A 55 4.744 2.310 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 55 6.091 3.037 -4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.048 4.291 -5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.001 2.550 -5.597 1.00 0.00 H new ATOM 805 N THR A 56 5.656 5.597 -3.885 1.00 0.00 N ATOM 806 CA THR A 56 5.880 6.891 -3.247 1.00 0.00 C ATOM 807 C THR A 56 5.337 8.030 -4.106 1.00 0.00 C ATOM 808 O THR A 56 6.099 8.831 -4.647 1.00 0.00 O ATOM 809 CB THR A 56 7.372 7.100 -2.986 1.00 0.00 C ATOM 810 OG1 THR A 56 7.600 8.344 -2.347 1.00 0.00 O ATOM 811 CG2 THR A 56 8.210 7.071 -4.246 1.00 0.00 C ATOM 0 H THR A 56 5.687 5.617 -4.904 1.00 0.00 H new ATOM 0 HA THR A 56 5.345 6.895 -2.297 1.00 0.00 H new ATOM 0 HB THR A 56 7.673 6.268 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.130 8.361 -1.487 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.258 7.225 -3.990 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.095 6.105 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.881 7.862 -4.920 1.00 0.00 H new ATOM 819 N THR A 57 4.015 8.099 -4.223 1.00 0.00 N ATOM 820 CA THR A 57 3.371 9.144 -5.010 1.00 0.00 C ATOM 821 C THR A 57 1.910 9.307 -4.604 1.00 0.00 C ATOM 822 O THR A 57 1.315 8.406 -4.013 1.00 0.00 O ATOM 823 CB THR A 57 3.471 8.827 -6.502 1.00 0.00 C ATOM 824 OG1 THR A 57 3.709 7.447 -6.710 1.00 0.00 O ATOM 825 CG2 THR A 57 4.574 9.593 -7.201 1.00 0.00 C ATOM 0 H THR A 57 3.369 7.444 -3.783 1.00 0.00 H new ATOM 0 HA THR A 57 3.889 10.083 -4.815 1.00 0.00 H new ATOM 0 HB THR A 57 2.513 9.128 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.768 7.266 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.592 9.323 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.392 10.663 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.533 9.345 -6.747 1.00 0.00 H new ATOM 833 N ASP A 58 1.337 10.465 -4.923 1.00 0.00 N ATOM 834 CA ASP A 58 -0.052 10.751 -4.593 1.00 0.00 C ATOM 835 C ASP A 58 -0.983 9.691 -5.172 1.00 0.00 C ATOM 836 O ASP A 58 -1.038 9.495 -6.387 1.00 0.00 O ATOM 837 CB ASP A 58 -0.439 12.133 -5.120 1.00 0.00 C ATOM 838 CG ASP A 58 0.016 12.358 -6.548 1.00 0.00 C ATOM 839 OD1 ASP A 58 -0.550 11.719 -7.460 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.939 13.174 -6.756 1.00 0.00 O ATOM 0 H ASP A 58 1.817 11.221 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.155 10.737 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.521 12.249 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.003 12.898 -4.478 1.00 0.00 H new ATOM 845 N ARG A 59 -1.713 9.009 -4.296 1.00 0.00 N ATOM 846 CA ARG A 59 -2.642 7.967 -4.719 1.00 0.00 C ATOM 847 C ARG A 59 -1.921 6.893 -5.530 1.00 0.00 C ATOM 848 O ARG A 59 -2.519 6.243 -6.388 1.00 0.00 O ATOM 849 CB ARG A 59 -3.778 8.571 -5.547 1.00 0.00 C ATOM 850 CG ARG A 59 -4.479 9.732 -4.861 1.00 0.00 C ATOM 851 CD ARG A 59 -5.415 10.459 -5.815 1.00 0.00 C ATOM 852 NE ARG A 59 -5.855 11.744 -5.276 1.00 0.00 N ATOM 853 CZ ARG A 59 -6.370 12.722 -6.018 1.00 0.00 C ATOM 854 NH1 ARG A 59 -6.511 12.566 -7.328 1.00 0.00 N ATOM 855 NH2 ARG A 59 -6.744 13.859 -5.449 1.00 0.00 N ATOM 0 H ARG A 59 -1.679 9.159 -3.288 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.061 7.504 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.379 8.912 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.510 7.794 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.044 9.363 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.736 10.430 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.909 10.619 -6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.285 9.834 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.762 11.901 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.224 11.693 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.906 13.319 -7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.637 13.985 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.139 14.608 -6.018 1.00 0.00 H new ATOM 869 N CYS A 60 -0.633 6.714 -5.252 1.00 0.00 N ATOM 870 CA CYS A 60 0.172 5.726 -5.951 1.00 0.00 C ATOM 871 C CYS A 60 -0.376 4.317 -5.742 1.00 0.00 C ATOM 872 O CYS A 60 -0.124 3.419 -6.545 1.00 0.00 O ATOM 873 CB CYS A 60 1.621 5.807 -5.473 1.00 0.00 C ATOM 874 SG CYS A 60 1.882 5.243 -3.758 1.00 0.00 S ATOM 0 H CYS A 60 -0.126 7.244 -4.544 1.00 0.00 H new ATOM 0 HA CYS A 60 0.131 5.944 -7.018 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.244 5.209 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.962 6.839 -5.559 1.00 0.00 H new ATOM 879 N ASN A 61 -1.125 4.128 -4.660 1.00 0.00 N ATOM 880 CA ASN A 61 -1.702 2.826 -4.351 1.00 0.00 C ATOM 881 C ASN A 61 -3.219 2.848 -4.518 1.00 0.00 C ATOM 882 O ASN A 61 -3.965 2.627 -3.564 1.00 0.00 O ATOM 883 CB ASN A 61 -1.334 2.409 -2.926 1.00 0.00 C ATOM 884 CG ASN A 61 -1.917 3.337 -1.879 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.678 4.251 -2.194 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.561 3.104 -0.620 1.00 0.00 N ATOM 0 H ASN A 61 -1.346 4.859 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.292 2.098 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.689 1.394 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.249 2.390 -2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.922 3.694 0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.927 2.335 -0.403 1.00 0.00 H new ATOM 893 N ASN A 62 -3.670 3.114 -5.741 1.00 0.00 N ATOM 894 CA ASN A 62 -5.097 3.164 -6.035 1.00 0.00 C ATOM 895 C ASN A 62 -5.664 1.760 -6.218 1.00 0.00 C ATOM 896 O ASN A 62 -6.781 1.503 -5.718 1.00 0.00 O ATOM 897 CB ASN A 62 -5.351 3.999 -7.292 1.00 0.00 C ATOM 898 CG ASN A 62 -6.496 4.976 -7.114 1.00 0.00 C ATOM 899 OD1 ASN A 62 -6.303 6.192 -7.165 1.00 0.00 O ATOM 900 ND2 ASN A 62 -7.696 4.450 -6.904 1.00 0.00 N ATOM 901 OXT ASN A 62 -4.989 0.928 -6.859 1.00 0.00 O ATOM 0 H ASN A 62 -3.067 3.298 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.601 3.632 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.445 4.548 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.570 3.335 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.505 5.059 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.810 3.437 -6.869 1.00 0.00 H new