USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 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 1 ALA N :NH3+ -150:sc= 0.667 (180deg=0.353) USER MOD Set 1.2: A 56 HIS : no HE2:sc= 0.263 K(o=0.93,f=-13!) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.913 K(o=0.073,f=-1.4) USER MOD Set 2.2: A 33 TYR OH : rot 151:sc= 0.986 USER MOD Set 3.1: A 20 CYS SG : rot 131:sc= 0.932 USER MOD Set 3.2: A 24 CYS SG : rot -57:sc= 0.695 USER MOD Set 4.1: A 13 CYS SG : rot -71:sc= 0.839 USER MOD Set 4.2: A 15 SER OG : rot 103:sc= 0.0454 USER MOD Single : A 2 TYR OH : rot -87:sc= 1.23 USER MOD Single : A 5 THR OG1 : rot -56:sc= 0.431 USER MOD Single : A 8 CYS SG : rot -9:sc= 0.259 USER MOD Single : A 11 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 1.56 (180deg=-0.108!) USER MOD Single : A 16 CYS SG : rot -43:sc= 0.389 USER MOD Single : A 26 HIS : no HE2:sc= -0.904 X(o=-0.9,f=-0.94) USER MOD Single : A 32 TYR OH : rot -24:sc= 1.2 USER MOD Single : A 39 CYS SG : rot 170:sc= 0.0876 USER MOD Single : A 42 CYS SG : rot 160:sc= -0.221 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0453 USER MOD Single : A 49 CYS SG : rot 170:sc= -0.572 USER MOD Single : A 52 SER OG : rot -58:sc= 0.297 USER MOD Single : A 55 TYR OH : rot 75:sc= 1.05 USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 0.847 (180deg=0.474) USER MOD Single : A 66 SER OG : rot -102:sc= 1.21 USER MOD Single : A 67 TYR OH : rot -153:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.64) USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= 3.03 (180deg=1.74) USER MOD Single : A 71 ASN : amide:sc= 0.777 K(o=0.78,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= 0.535! (180deg=-2.36!) USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= 2.19 (180deg=1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.004 2.529 7.743 1.00 0.00 N ATOM 2 CA ALA A 1 -6.116 2.847 6.619 1.00 0.00 C ATOM 3 C ALA A 1 -5.338 1.595 6.236 1.00 0.00 C ATOM 4 O ALA A 1 -4.762 0.961 7.124 1.00 0.00 O ATOM 5 CB ALA A 1 -5.156 3.966 7.013 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.851 3.130 7.697 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.286 1.529 7.691 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.505 2.702 8.639 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.706 3.184 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.501 4.196 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.725 4.856 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.556 3.647 7.865 1.00 0.00 H new ATOM 13 N TYR A 2 -5.317 1.242 4.950 1.00 0.00 N ATOM 14 CA TYR A 2 -4.577 0.092 4.458 1.00 0.00 C ATOM 15 C TYR A 2 -3.256 0.544 3.850 1.00 0.00 C ATOM 16 O TYR A 2 -3.202 1.590 3.206 1.00 0.00 O ATOM 17 CB TYR A 2 -5.404 -0.657 3.419 1.00 0.00 C ATOM 18 CG TYR A 2 -6.654 -1.321 3.955 1.00 0.00 C ATOM 19 CD1 TYR A 2 -6.613 -2.666 4.367 1.00 0.00 C ATOM 20 CD2 TYR A 2 -7.894 -0.670 3.823 1.00 0.00 C ATOM 21 CE1 TYR A 2 -7.806 -3.405 4.459 1.00 0.00 C ATOM 22 CE2 TYR A 2 -9.081 -1.412 3.914 1.00 0.00 C ATOM 23 CZ TYR A 2 -9.021 -2.802 4.092 1.00 0.00 C ATOM 24 OH TYR A 2 -10.076 -3.579 3.728 1.00 0.00 O ATOM 0 H TYR A 2 -5.817 1.752 4.222 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.370 -0.579 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.690 0.041 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.776 -1.418 2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.669 -3.129 4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -7.932 0.396 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.788 -4.427 4.809 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.037 -0.915 3.847 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.020 -3.779 2.770 1.00 0.00 H new ATOM 34 N VAL A 3 -2.192 -0.228 4.077 1.00 0.00 N ATOM 35 CA VAL A 3 -0.839 0.123 3.682 1.00 0.00 C ATOM 36 C VAL A 3 -0.091 -1.122 3.181 1.00 0.00 C ATOM 37 O VAL A 3 -0.281 -2.224 3.701 1.00 0.00 O ATOM 38 CB VAL A 3 -0.123 0.780 4.874 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.133 1.501 4.380 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.990 1.816 5.611 1.00 0.00 C ATOM 0 H VAL A 3 -2.254 -1.130 4.550 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.863 0.837 2.858 1.00 0.00 H new ATOM 0 HB VAL A 3 0.111 -0.026 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.641 1.967 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.802 0.783 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.852 2.267 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.424 2.240 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.273 2.611 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.888 1.332 5.995 1.00 0.00 H new ATOM 50 N ILE A 4 0.751 -0.940 2.158 1.00 0.00 N ATOM 51 CA ILE A 4 1.634 -1.951 1.595 1.00 0.00 C ATOM 52 C ILE A 4 2.705 -2.356 2.612 1.00 0.00 C ATOM 53 O ILE A 4 3.002 -1.598 3.536 1.00 0.00 O ATOM 54 CB ILE A 4 2.277 -1.383 0.314 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.223 -0.201 0.598 1.00 0.00 C ATOM 56 CG2 ILE A 4 1.219 -1.013 -0.739 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.681 -0.646 0.731 1.00 0.00 C ATOM 0 H ILE A 4 0.834 -0.041 1.683 1.00 0.00 H new ATOM 0 HA ILE A 4 1.063 -2.846 1.348 1.00 0.00 H new ATOM 0 HB ILE A 4 2.891 -2.183 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.140 0.530 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.912 0.298 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.712 -0.617 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.647 -1.901 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.547 -0.259 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.310 0.222 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.771 -1.356 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.002 -1.121 -0.196 1.00 0.00 H new ATOM 69 N THR A 5 3.332 -3.515 2.401 1.00 0.00 N ATOM 70 CA THR A 5 4.492 -3.963 3.158 1.00 0.00 C ATOM 71 C THR A 5 5.384 -4.815 2.254 1.00 0.00 C ATOM 72 O THR A 5 4.997 -5.120 1.127 1.00 0.00 O ATOM 73 CB THR A 5 4.040 -4.765 4.388 1.00 0.00 C ATOM 74 OG1 THR A 5 3.123 -5.784 4.027 1.00 0.00 O ATOM 75 CG2 THR A 5 3.432 -3.859 5.457 1.00 0.00 C ATOM 0 H THR A 5 3.038 -4.178 1.684 1.00 0.00 H new ATOM 0 HA THR A 5 5.060 -3.100 3.505 1.00 0.00 H new ATOM 0 HB THR A 5 4.929 -5.234 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.358 -5.386 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.124 -4.461 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.173 -3.126 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.565 -3.342 5.046 1.00 0.00 H new ATOM 83 N GLU A 6 6.551 -5.206 2.782 1.00 0.00 N ATOM 84 CA GLU A 6 7.520 -6.163 2.249 1.00 0.00 C ATOM 85 C GLU A 6 7.056 -6.992 1.035 1.00 0.00 C ATOM 86 O GLU A 6 7.669 -6.865 -0.026 1.00 0.00 O ATOM 87 CB GLU A 6 8.076 -6.989 3.414 1.00 0.00 C ATOM 88 CG GLU A 6 9.471 -7.537 3.158 1.00 0.00 C ATOM 89 CD GLU A 6 10.481 -7.030 4.181 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.985 -5.910 3.959 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.666 -7.724 5.204 1.00 0.00 O ATOM 0 H GLU A 6 6.866 -4.824 3.674 1.00 0.00 H new ATOM 0 HA GLU A 6 8.330 -5.593 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.097 -6.370 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.399 -7.819 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.443 -8.626 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.795 -7.251 2.157 1.00 0.00 H new ATOM 98 N PRO A 7 6.002 -7.829 1.115 1.00 0.00 N ATOM 99 CA PRO A 7 5.669 -8.733 0.020 1.00 0.00 C ATOM 100 C PRO A 7 5.290 -8.012 -1.282 1.00 0.00 C ATOM 101 O PRO A 7 5.296 -8.635 -2.341 1.00 0.00 O ATOM 102 CB PRO A 7 4.537 -9.631 0.535 1.00 0.00 C ATOM 103 CG PRO A 7 4.634 -9.500 2.055 1.00 0.00 C ATOM 104 CD PRO A 7 5.062 -8.044 2.207 1.00 0.00 C ATOM 0 HA PRO A 7 6.546 -9.317 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.566 -9.302 0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.667 -10.664 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.682 -9.701 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.364 -10.189 2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.209 -7.369 2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.530 -7.866 3.175 1.00 0.00 H new ATOM 112 N CYS A 8 4.957 -6.715 -1.227 1.00 0.00 N ATOM 113 CA CYS A 8 4.689 -5.920 -2.418 1.00 0.00 C ATOM 114 C CYS A 8 5.940 -5.750 -3.290 1.00 0.00 C ATOM 115 O CYS A 8 5.821 -5.604 -4.508 1.00 0.00 O ATOM 116 CB CYS A 8 4.144 -4.568 -2.026 1.00 0.00 C ATOM 117 SG CYS A 8 4.087 -3.340 -3.356 1.00 0.00 S ATOM 0 H CYS A 8 4.868 -6.195 -0.354 1.00 0.00 H new ATOM 0 HA CYS A 8 3.947 -6.456 -3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.136 -4.701 -1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.753 -4.171 -1.213 1.00 0.00 H new ATOM 0 HG CYS A 8 4.724 -3.795 -4.394 1.00 0.00 H new ATOM 122 N ILE A 9 7.132 -5.720 -2.680 1.00 0.00 N ATOM 123 CA ILE A 9 8.355 -5.365 -3.385 1.00 0.00 C ATOM 124 C ILE A 9 8.685 -6.431 -4.442 1.00 0.00 C ATOM 125 O ILE A 9 9.365 -7.419 -4.175 1.00 0.00 O ATOM 126 CB ILE A 9 9.492 -5.033 -2.390 1.00 0.00 C ATOM 127 CG1 ILE A 9 9.222 -3.687 -1.685 1.00 0.00 C ATOM 128 CG2 ILE A 9 10.837 -4.869 -3.111 1.00 0.00 C ATOM 129 CD1 ILE A 9 8.461 -3.825 -0.376 1.00 0.00 C ATOM 0 H ILE A 9 7.268 -5.940 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 9 8.215 -4.442 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 9 9.528 -5.860 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.173 -3.191 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.657 -3.042 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.614 -4.636 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.089 -5.796 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.765 -4.058 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.308 -2.839 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.494 -4.292 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.034 -4.444 0.315 1.00 0.00 H new ATOM 141 N GLY A 10 8.177 -6.200 -5.655 1.00 0.00 N ATOM 142 CA GLY A 10 8.359 -7.005 -6.847 1.00 0.00 C ATOM 143 C GLY A 10 8.314 -6.066 -8.051 1.00 0.00 C ATOM 144 O GLY A 10 7.252 -5.846 -8.628 1.00 0.00 O ATOM 0 H GLY A 10 7.588 -5.387 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.311 -7.534 -6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.577 -7.761 -6.922 1.00 0.00 H new ATOM 148 N THR A 11 9.474 -5.485 -8.365 1.00 0.00 N ATOM 149 CA THR A 11 9.729 -4.444 -9.355 1.00 0.00 C ATOM 150 C THR A 11 8.553 -4.042 -10.272 1.00 0.00 C ATOM 151 O THR A 11 8.247 -4.680 -11.276 1.00 0.00 O ATOM 152 CB THR A 11 11.062 -4.714 -10.076 1.00 0.00 C ATOM 153 OG1 THR A 11 11.474 -3.559 -10.773 1.00 0.00 O ATOM 154 CG2 THR A 11 11.078 -5.946 -10.992 1.00 0.00 C ATOM 0 H THR A 11 10.334 -5.758 -7.888 1.00 0.00 H new ATOM 0 HA THR A 11 9.833 -3.518 -8.790 1.00 0.00 H new ATOM 0 HB THR A 11 11.775 -4.957 -9.288 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.880 -2.926 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.062 -6.046 -11.451 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.859 -6.838 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.325 -5.830 -11.771 1.00 0.00 H new ATOM 162 N LYS A 12 7.912 -2.925 -9.916 1.00 0.00 N ATOM 163 CA LYS A 12 6.917 -2.192 -10.684 1.00 0.00 C ATOM 164 C LYS A 12 5.721 -3.055 -11.097 1.00 0.00 C ATOM 165 O LYS A 12 5.190 -2.910 -12.196 1.00 0.00 O ATOM 166 CB LYS A 12 7.583 -1.425 -11.841 1.00 0.00 C ATOM 167 CG LYS A 12 8.830 -0.670 -11.349 1.00 0.00 C ATOM 168 CD LYS A 12 9.367 0.357 -12.361 1.00 0.00 C ATOM 169 CE LYS A 12 8.489 1.606 -12.544 1.00 0.00 C ATOM 170 NZ LYS A 12 8.169 2.256 -11.259 1.00 0.00 N ATOM 0 H LYS A 12 8.093 -2.481 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 12 6.473 -1.440 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.862 -2.121 -12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.872 -0.720 -12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.590 -0.158 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.616 -1.391 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.361 0.673 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.482 -0.133 -13.328 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.003 2.317 -13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.564 1.327 -13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.802 3.213 -11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.450 1.697 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.029 2.317 -10.677 1.00 0.00 H new ATOM 184 N CYS A 13 5.259 -3.894 -10.165 1.00 0.00 N ATOM 185 CA CYS A 13 4.018 -4.657 -10.245 1.00 0.00 C ATOM 186 C CYS A 13 2.832 -3.801 -10.710 1.00 0.00 C ATOM 187 O CYS A 13 2.091 -4.182 -11.617 1.00 0.00 O ATOM 188 CB CYS A 13 3.730 -5.229 -8.882 1.00 0.00 C ATOM 189 SG CYS A 13 2.005 -5.703 -8.625 1.00 0.00 S ATOM 0 H CYS A 13 5.766 -4.065 -9.296 1.00 0.00 H new ATOM 0 HA CYS A 13 4.146 -5.447 -10.985 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.362 -6.103 -8.727 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.010 -4.495 -8.126 1.00 0.00 H new ATOM 0 HG CYS A 13 1.270 -4.634 -8.534 1.00 0.00 H new ATOM 194 N ALA A 14 2.623 -2.664 -10.039 1.00 0.00 N ATOM 195 CA ALA A 14 1.430 -1.843 -10.188 1.00 0.00 C ATOM 196 C ALA A 14 0.204 -2.653 -9.760 1.00 0.00 C ATOM 197 O ALA A 14 0.148 -3.097 -8.610 1.00 0.00 O ATOM 198 CB ALA A 14 1.355 -1.216 -11.590 1.00 0.00 C ATOM 0 H ALA A 14 3.292 -2.287 -9.368 1.00 0.00 H new ATOM 0 HA ALA A 14 1.468 -0.981 -9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.453 -0.609 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.231 -0.588 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.328 -2.006 -12.341 1.00 0.00 H new ATOM 204 N SER A 15 -0.777 -2.837 -10.651 1.00 0.00 N ATOM 205 CA SER A 15 -2.061 -3.487 -10.395 1.00 0.00 C ATOM 206 C SER A 15 -2.948 -2.643 -9.468 1.00 0.00 C ATOM 207 O SER A 15 -4.049 -2.260 -9.857 1.00 0.00 O ATOM 208 CB SER A 15 -1.882 -4.932 -9.919 1.00 0.00 C ATOM 209 OG SER A 15 -0.963 -5.610 -10.758 1.00 0.00 O ATOM 0 H SER A 15 -0.690 -2.520 -11.617 1.00 0.00 H new ATOM 0 HA SER A 15 -2.596 -3.552 -11.342 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.523 -4.942 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.842 -5.447 -9.927 1.00 0.00 H new ATOM 0 HG SER A 15 -0.095 -5.674 -10.308 1.00 0.00 H new ATOM 215 N CYS A 16 -2.463 -2.316 -8.268 1.00 0.00 N ATOM 216 CA CYS A 16 -3.059 -1.347 -7.354 1.00 0.00 C ATOM 217 C CYS A 16 -2.877 0.066 -7.945 1.00 0.00 C ATOM 218 O CYS A 16 -2.178 0.910 -7.391 1.00 0.00 O ATOM 219 CB CYS A 16 -2.446 -1.495 -5.969 1.00 0.00 C ATOM 220 SG CYS A 16 -0.643 -1.365 -5.910 1.00 0.00 S ATOM 0 H CYS A 16 -1.612 -2.737 -7.895 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.128 -1.525 -7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.871 -0.732 -5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.739 -2.462 -5.561 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.127 -2.039 -6.895 1.00 0.00 H new ATOM 225 N VAL A 17 -3.502 0.321 -9.101 1.00 0.00 N ATOM 226 CA VAL A 17 -3.525 1.602 -9.801 1.00 0.00 C ATOM 227 C VAL A 17 -4.928 1.806 -10.365 1.00 0.00 C ATOM 228 O VAL A 17 -5.637 0.828 -10.587 1.00 0.00 O ATOM 229 CB VAL A 17 -2.443 1.671 -10.895 1.00 0.00 C ATOM 230 CG1 VAL A 17 -1.043 1.704 -10.275 1.00 0.00 C ATOM 231 CG2 VAL A 17 -2.536 0.524 -11.911 1.00 0.00 C ATOM 0 H VAL A 17 -4.030 -0.399 -9.594 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.292 2.410 -9.107 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.625 2.597 -11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.295 1.753 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.950 2.580 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.886 0.803 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.746 0.631 -12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.422 -0.429 -11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.507 0.554 -12.406 1.00 0.00 H new ATOM 241 N GLU A 18 -5.357 3.062 -10.534 1.00 0.00 N ATOM 242 CA GLU A 18 -6.602 3.469 -11.172 1.00 0.00 C ATOM 243 C GLU A 18 -7.911 2.980 -10.525 1.00 0.00 C ATOM 244 O GLU A 18 -8.981 3.451 -10.896 1.00 0.00 O ATOM 245 CB GLU A 18 -6.543 3.196 -12.663 1.00 0.00 C ATOM 246 CG GLU A 18 -5.222 3.600 -13.333 1.00 0.00 C ATOM 247 CD GLU A 18 -5.299 3.387 -14.839 1.00 0.00 C ATOM 248 OE1 GLU A 18 -5.036 2.240 -15.259 1.00 0.00 O ATOM 249 OE2 GLU A 18 -5.633 4.368 -15.536 1.00 0.00 O ATOM 0 H GLU A 18 -4.811 3.860 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.662 4.544 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.711 2.132 -12.832 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.360 3.729 -13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.004 4.646 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.403 3.012 -12.918 1.00 0.00 H new ATOM 256 N VAL A 19 -7.852 2.056 -9.561 1.00 0.00 N ATOM 257 CA VAL A 19 -9.024 1.496 -8.901 1.00 0.00 C ATOM 258 C VAL A 19 -9.391 2.312 -7.661 1.00 0.00 C ATOM 259 O VAL A 19 -10.534 2.277 -7.210 1.00 0.00 O ATOM 260 CB VAL A 19 -8.793 0.013 -8.553 1.00 0.00 C ATOM 261 CG1 VAL A 19 -8.699 -0.836 -9.829 1.00 0.00 C ATOM 262 CG2 VAL A 19 -7.548 -0.232 -7.686 1.00 0.00 C ATOM 0 H VAL A 19 -6.972 1.673 -9.215 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.867 1.549 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.658 -0.287 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.536 -1.880 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.627 -0.748 -10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.867 -0.484 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.451 -1.298 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.662 0.119 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.647 0.310 -6.745 1.00 0.00 H new ATOM 272 N CYS A 20 -8.416 3.015 -7.077 1.00 0.00 N ATOM 273 CA CYS A 20 -8.601 3.689 -5.807 1.00 0.00 C ATOM 274 C CYS A 20 -9.493 4.929 -5.989 1.00 0.00 C ATOM 275 O CYS A 20 -9.180 5.793 -6.809 1.00 0.00 O ATOM 276 CB CYS A 20 -7.261 4.051 -5.237 1.00 0.00 C ATOM 277 SG CYS A 20 -7.270 5.002 -3.695 1.00 0.00 S ATOM 0 H CYS A 20 -7.484 3.127 -7.476 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.104 3.024 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.702 3.131 -5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.714 4.622 -5.987 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.464 4.448 -2.839 1.00 0.00 H new ATOM 282 N PRO A 21 -10.590 5.041 -5.221 1.00 0.00 N ATOM 283 CA PRO A 21 -11.578 6.099 -5.354 1.00 0.00 C ATOM 284 C PRO A 21 -10.976 7.506 -5.314 1.00 0.00 C ATOM 285 O PRO A 21 -11.532 8.419 -5.920 1.00 0.00 O ATOM 286 CB PRO A 21 -12.590 5.906 -4.216 1.00 0.00 C ATOM 287 CG PRO A 21 -12.168 4.649 -3.450 1.00 0.00 C ATOM 288 CD PRO A 21 -10.930 4.113 -4.165 1.00 0.00 C ATOM 0 HA PRO A 21 -12.050 6.024 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.599 6.774 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.599 5.796 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.946 4.883 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.967 3.908 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.100 4.010 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.126 3.122 -4.576 1.00 0.00 H new ATOM 296 N VAL A 22 -9.880 7.689 -4.569 1.00 0.00 N ATOM 297 CA VAL A 22 -9.249 8.986 -4.356 1.00 0.00 C ATOM 298 C VAL A 22 -7.792 8.997 -4.833 1.00 0.00 C ATOM 299 O VAL A 22 -7.034 9.867 -4.414 1.00 0.00 O ATOM 300 CB VAL A 22 -9.388 9.387 -2.875 1.00 0.00 C ATOM 301 CG1 VAL A 22 -10.855 9.662 -2.522 1.00 0.00 C ATOM 302 CG2 VAL A 22 -8.823 8.316 -1.932 1.00 0.00 C ATOM 0 H VAL A 22 -9.403 6.924 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.762 9.733 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.805 10.298 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.930 9.943 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.233 10.474 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.447 8.764 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.942 8.641 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.360 7.379 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.765 8.165 -2.145 1.00 0.00 H new ATOM 312 N ASP A 23 -7.416 8.054 -5.709 1.00 0.00 N ATOM 313 CA ASP A 23 -6.108 7.986 -6.361 1.00 0.00 C ATOM 314 C ASP A 23 -4.941 8.314 -5.414 1.00 0.00 C ATOM 315 O ASP A 23 -4.148 9.218 -5.664 1.00 0.00 O ATOM 316 CB ASP A 23 -6.114 8.865 -7.621 1.00 0.00 C ATOM 317 CG ASP A 23 -4.966 8.506 -8.558 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.996 7.362 -9.059 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.104 9.381 -8.786 1.00 0.00 O ATOM 0 H ASP A 23 -8.037 7.295 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.935 6.952 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.063 8.746 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.037 9.914 -7.335 1.00 0.00 H new ATOM 324 N CYS A 24 -4.837 7.577 -4.303 1.00 0.00 N ATOM 325 CA CYS A 24 -3.817 7.796 -3.276 1.00 0.00 C ATOM 326 C CYS A 24 -2.806 6.652 -3.256 1.00 0.00 C ATOM 327 O CYS A 24 -2.318 6.252 -2.194 1.00 0.00 O ATOM 328 CB CYS A 24 -4.463 8.022 -1.910 1.00 0.00 C ATOM 329 SG CYS A 24 -5.176 6.512 -1.214 1.00 0.00 S ATOM 0 H CYS A 24 -5.467 6.803 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.265 8.702 -3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.717 8.417 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.243 8.778 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 24 -6.055 6.027 -2.040 1.00 0.00 H new ATOM 335 N ILE A 25 -2.504 6.135 -4.449 1.00 0.00 N ATOM 336 CA ILE A 25 -1.530 5.090 -4.707 1.00 0.00 C ATOM 337 C ILE A 25 -0.423 5.720 -5.560 1.00 0.00 C ATOM 338 O ILE A 25 -0.708 6.454 -6.504 1.00 0.00 O ATOM 339 CB ILE A 25 -2.190 3.853 -5.354 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.620 4.012 -6.822 1.00 0.00 C ATOM 341 CG2 ILE A 25 -3.351 3.269 -4.521 1.00 0.00 C ATOM 342 CD1 ILE A 25 -3.628 5.120 -7.135 1.00 0.00 C ATOM 0 H ILE A 25 -2.961 6.456 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.094 4.708 -3.784 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.368 3.137 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.726 4.189 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.044 3.065 -7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.768 2.403 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.980 2.966 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.126 4.025 -4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.845 5.123 -8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.548 4.943 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.210 6.084 -6.847 1.00 0.00 H new ATOM 354 N HIS A 26 0.837 5.509 -5.191 1.00 0.00 N ATOM 355 CA HIS A 26 1.999 6.183 -5.725 1.00 0.00 C ATOM 356 C HIS A 26 3.121 5.163 -5.825 1.00 0.00 C ATOM 357 O HIS A 26 2.950 4.050 -5.342 1.00 0.00 O ATOM 358 CB HIS A 26 2.371 7.244 -4.691 1.00 0.00 C ATOM 359 CG HIS A 26 1.242 8.208 -4.409 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.720 9.117 -5.303 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.403 8.172 -3.326 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.394 9.634 -4.754 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.623 9.093 -3.547 1.00 0.00 N ATOM 0 H HIS A 26 1.079 4.826 -4.473 1.00 0.00 H new ATOM 0 HA HIS A 26 1.821 6.626 -6.705 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.664 6.753 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.239 7.801 -5.045 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.108 9.355 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.515 7.543 -2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.018 10.382 -5.220 1.00 0.00 H new ATOM 371 N GLU A 27 4.267 5.536 -6.397 1.00 0.00 N ATOM 372 CA GLU A 27 5.481 4.739 -6.357 1.00 0.00 C ATOM 373 C GLU A 27 6.550 5.324 -5.443 1.00 0.00 C ATOM 374 O GLU A 27 6.558 6.510 -5.123 1.00 0.00 O ATOM 375 CB GLU A 27 6.089 4.584 -7.753 1.00 0.00 C ATOM 376 CG GLU A 27 5.192 3.726 -8.627 1.00 0.00 C ATOM 377 CD GLU A 27 5.880 3.366 -9.934 1.00 0.00 C ATOM 378 OE1 GLU A 27 6.657 4.187 -10.466 1.00 0.00 O ATOM 379 OE2 GLU A 27 5.746 2.202 -10.379 1.00 0.00 O ATOM 0 H GLU A 27 4.373 6.413 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 27 5.174 3.771 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.223 5.565 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.077 4.130 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.922 2.815 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.265 4.260 -8.836 1.00 0.00 H new ATOM 386 N GLY A 28 7.463 4.429 -5.079 1.00 0.00 N ATOM 387 CA GLY A 28 8.733 4.671 -4.433 1.00 0.00 C ATOM 388 C GLY A 28 9.709 3.898 -5.311 1.00 0.00 C ATOM 389 O GLY A 28 10.197 2.838 -4.921 1.00 0.00 O ATOM 0 H GLY A 28 7.313 3.434 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.974 5.734 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.740 4.309 -3.405 1.00 0.00 H new ATOM 393 N GLU A 29 9.865 4.399 -6.542 1.00 0.00 N ATOM 394 CA GLU A 29 10.735 3.997 -7.633 1.00 0.00 C ATOM 395 C GLU A 29 10.407 2.603 -8.163 1.00 0.00 C ATOM 396 O GLU A 29 10.027 2.432 -9.324 1.00 0.00 O ATOM 397 CB GLU A 29 12.207 4.172 -7.229 1.00 0.00 C ATOM 398 CG GLU A 29 12.575 5.654 -7.024 1.00 0.00 C ATOM 399 CD GLU A 29 11.846 6.301 -5.849 1.00 0.00 C ATOM 400 OE1 GLU A 29 12.316 6.112 -4.708 1.00 0.00 O ATOM 401 OE2 GLU A 29 10.785 6.913 -6.108 1.00 0.00 O ATOM 0 H GLU A 29 9.304 5.203 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 29 10.552 4.659 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.399 3.620 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.848 3.742 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.650 5.735 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.345 6.207 -7.934 1.00 0.00 H new ATOM 408 N ASP A 30 10.569 1.612 -7.298 1.00 0.00 N ATOM 409 CA ASP A 30 10.505 0.195 -7.626 1.00 0.00 C ATOM 410 C ASP A 30 9.173 -0.440 -7.227 1.00 0.00 C ATOM 411 O ASP A 30 8.811 -1.484 -7.752 1.00 0.00 O ATOM 412 CB ASP A 30 11.655 -0.546 -6.936 1.00 0.00 C ATOM 413 CG ASP A 30 11.722 -1.991 -7.418 1.00 0.00 C ATOM 414 OD1 ASP A 30 12.052 -2.169 -8.612 1.00 0.00 O ATOM 415 OD2 ASP A 30 11.419 -2.889 -6.604 1.00 0.00 O ATOM 0 H ASP A 30 10.756 1.780 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 30 10.594 0.109 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.598 -0.042 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.515 -0.523 -5.855 1.00 0.00 H new ATOM 420 N GLN A 31 8.423 0.164 -6.307 1.00 0.00 N ATOM 421 CA GLN A 31 7.266 -0.471 -5.701 1.00 0.00 C ATOM 422 C GLN A 31 6.235 0.599 -5.386 1.00 0.00 C ATOM 423 O GLN A 31 6.579 1.780 -5.341 1.00 0.00 O ATOM 424 CB GLN A 31 7.711 -1.196 -4.425 1.00 0.00 C ATOM 425 CG GLN A 31 8.567 -0.266 -3.539 1.00 0.00 C ATOM 426 CD GLN A 31 8.253 -0.346 -2.056 1.00 0.00 C ATOM 427 OE1 GLN A 31 9.141 -0.373 -1.209 1.00 0.00 O ATOM 428 NE2 GLN A 31 6.979 -0.278 -1.714 1.00 0.00 N ATOM 0 H GLN A 31 8.605 1.107 -5.964 1.00 0.00 H new ATOM 0 HA GLN A 31 6.821 -1.200 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.836 -1.533 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.284 -2.085 -4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.619 -0.509 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.427 0.762 -3.872 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.258 -0.257 -2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.716 -0.247 -0.729 1.00 0.00 H new ATOM 437 N TYR A 32 4.989 0.181 -5.159 1.00 0.00 N ATOM 438 CA TYR A 32 3.904 1.105 -4.884 1.00 0.00 C ATOM 439 C TYR A 32 3.856 1.463 -3.401 1.00 0.00 C ATOM 440 O TYR A 32 4.474 0.793 -2.573 1.00 0.00 O ATOM 441 CB TYR A 32 2.571 0.588 -5.443 1.00 0.00 C ATOM 442 CG TYR A 32 2.468 0.789 -6.945 1.00 0.00 C ATOM 443 CD1 TYR A 32 3.361 0.111 -7.797 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.697 1.852 -7.458 1.00 0.00 C ATOM 445 CE1 TYR A 32 3.548 0.546 -9.116 1.00 0.00 C ATOM 446 CE2 TYR A 32 1.878 2.281 -8.784 1.00 0.00 C ATOM 447 CZ TYR A 32 2.828 1.647 -9.602 1.00 0.00 C ATOM 448 OH TYR A 32 3.161 2.182 -10.807 1.00 0.00 O ATOM 0 H TYR A 32 4.712 -0.801 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 32 4.096 2.039 -5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.467 -0.472 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.747 1.104 -4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.904 -0.748 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.965 2.338 -6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.248 0.033 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.288 3.097 -9.174 1.00 0.00 H new ATOM 0 HH TYR A 32 4.096 1.971 -11.012 1.00 0.00 H new ATOM 458 N TYR A 33 3.150 2.555 -3.103 1.00 0.00 N ATOM 459 CA TYR A 33 3.022 3.205 -1.815 1.00 0.00 C ATOM 460 C TYR A 33 1.599 3.749 -1.744 1.00 0.00 C ATOM 461 O TYR A 33 1.159 4.376 -2.701 1.00 0.00 O ATOM 462 CB TYR A 33 4.061 4.331 -1.738 1.00 0.00 C ATOM 463 CG TYR A 33 5.388 3.858 -1.180 1.00 0.00 C ATOM 464 CD1 TYR A 33 5.558 3.793 0.209 1.00 0.00 C ATOM 465 CD2 TYR A 33 6.374 3.318 -2.021 1.00 0.00 C ATOM 466 CE1 TYR A 33 6.651 3.111 0.768 1.00 0.00 C ATOM 467 CE2 TYR A 33 7.518 2.719 -1.464 1.00 0.00 C ATOM 468 CZ TYR A 33 7.604 2.520 -0.076 1.00 0.00 C ATOM 469 OH TYR A 33 8.622 1.797 0.468 1.00 0.00 O ATOM 0 H TYR A 33 2.612 3.040 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 33 3.199 2.528 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.216 4.746 -2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.674 5.136 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.840 4.273 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.254 3.363 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.758 3.042 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.332 2.412 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 33 8.906 1.104 -0.164 1.00 0.00 H new ATOM 479 N ILE A 34 0.874 3.502 -0.651 1.00 0.00 N ATOM 480 CA ILE A 34 -0.479 3.979 -0.438 1.00 0.00 C ATOM 481 C ILE A 34 -0.407 5.061 0.637 1.00 0.00 C ATOM 482 O ILE A 34 0.180 4.809 1.688 1.00 0.00 O ATOM 483 CB ILE A 34 -1.407 2.812 -0.031 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.703 1.883 -1.232 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.718 3.368 0.556 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.360 0.562 -0.820 1.00 0.00 C ATOM 0 H ILE A 34 1.229 2.948 0.128 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.902 4.397 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.898 2.218 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.355 2.403 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.772 1.671 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.368 2.541 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.495 3.974 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.219 3.983 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.542 -0.046 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.699 0.023 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.306 0.767 -0.320 1.00 0.00 H new ATOM 498 N ASP A 35 -0.988 6.247 0.414 1.00 0.00 N ATOM 499 CA ASP A 35 -1.049 7.244 1.483 1.00 0.00 C ATOM 500 C ASP A 35 -2.012 6.757 2.572 1.00 0.00 C ATOM 501 O ASP A 35 -3.213 6.668 2.307 1.00 0.00 O ATOM 502 CB ASP A 35 -1.496 8.619 0.983 1.00 0.00 C ATOM 503 CG ASP A 35 -1.223 9.676 2.039 1.00 0.00 C ATOM 504 OD1 ASP A 35 -1.612 9.462 3.211 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.631 10.729 1.714 1.00 0.00 O ATOM 0 H ASP A 35 -1.410 6.532 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.041 7.359 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.968 8.869 0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.559 8.599 0.744 1.00 0.00 H new ATOM 510 N PRO A 36 -1.541 6.454 3.794 1.00 0.00 N ATOM 511 CA PRO A 36 -2.416 5.966 4.840 1.00 0.00 C ATOM 512 C PRO A 36 -3.471 6.996 5.241 1.00 0.00 C ATOM 513 O PRO A 36 -4.528 6.624 5.740 1.00 0.00 O ATOM 514 CB PRO A 36 -1.518 5.647 6.042 1.00 0.00 C ATOM 515 CG PRO A 36 -0.090 5.675 5.498 1.00 0.00 C ATOM 516 CD PRO A 36 -0.184 6.602 4.289 1.00 0.00 C ATOM 0 HA PRO A 36 -2.960 5.090 4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.650 6.381 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.759 4.672 6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.614 6.053 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.250 4.679 5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.021 7.635 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.545 6.328 3.526 1.00 0.00 H new ATOM 524 N ASP A 37 -3.158 8.284 5.102 1.00 0.00 N ATOM 525 CA ASP A 37 -4.042 9.350 5.542 1.00 0.00 C ATOM 526 C ASP A 37 -5.068 9.653 4.452 1.00 0.00 C ATOM 527 O ASP A 37 -6.204 9.993 4.778 1.00 0.00 O ATOM 528 CB ASP A 37 -3.204 10.553 6.000 1.00 0.00 C ATOM 529 CG ASP A 37 -3.789 11.908 5.622 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.541 12.321 4.469 1.00 0.00 O ATOM 531 OD2 ASP A 37 -4.375 12.548 6.517 1.00 0.00 O ATOM 0 H ASP A 37 -2.288 8.611 4.683 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.626 9.050 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.090 10.510 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.206 10.469 5.571 1.00 0.00 H new ATOM 536 N VAL A 38 -4.709 9.485 3.171 1.00 0.00 N ATOM 537 CA VAL A 38 -5.676 9.739 2.109 1.00 0.00 C ATOM 538 C VAL A 38 -6.543 8.498 1.836 1.00 0.00 C ATOM 539 O VAL A 38 -7.689 8.654 1.422 1.00 0.00 O ATOM 540 CB VAL A 38 -5.013 10.342 0.859 1.00 0.00 C ATOM 541 CG1 VAL A 38 -6.064 10.805 -0.156 1.00 0.00 C ATOM 542 CG2 VAL A 38 -4.155 11.565 1.216 1.00 0.00 C ATOM 0 H VAL A 38 -3.786 9.184 2.858 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.369 10.508 2.451 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.391 9.555 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.566 11.227 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.674 9.955 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.701 11.563 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.701 11.967 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.783 12.328 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.372 11.269 1.914 1.00 0.00 H new ATOM 552 N CYS A 39 -6.051 7.272 2.072 1.00 0.00 N ATOM 553 CA CYS A 39 -6.892 6.084 1.909 1.00 0.00 C ATOM 554 C CYS A 39 -8.127 6.151 2.822 1.00 0.00 C ATOM 555 O CYS A 39 -8.012 6.192 4.045 1.00 0.00 O ATOM 556 CB CYS A 39 -6.114 4.817 2.157 1.00 0.00 C ATOM 557 SG CYS A 39 -7.164 3.341 2.215 1.00 0.00 S ATOM 0 H CYS A 39 -5.094 7.082 2.370 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.234 6.067 0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.369 4.695 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.572 4.908 3.099 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.417 2.277 2.216 1.00 0.00 H new ATOM 562 N ILE A 40 -9.322 6.135 2.221 1.00 0.00 N ATOM 563 CA ILE A 40 -10.596 6.260 2.923 1.00 0.00 C ATOM 564 C ILE A 40 -11.177 4.892 3.315 1.00 0.00 C ATOM 565 O ILE A 40 -12.396 4.733 3.333 1.00 0.00 O ATOM 566 CB ILE A 40 -11.585 7.078 2.063 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.775 6.465 0.662 1.00 0.00 C ATOM 568 CG2 ILE A 40 -11.125 8.538 1.945 1.00 0.00 C ATOM 569 CD1 ILE A 40 -13.048 6.971 -0.028 1.00 0.00 C ATOM 0 H ILE A 40 -9.428 6.032 1.212 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.422 6.793 3.858 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.549 7.050 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.910 6.704 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.817 5.379 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.836 9.095 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.071 8.984 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.141 8.573 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.137 6.510 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.917 6.709 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.996 8.054 -0.138 1.00 0.00 H new ATOM 581 N ASP A 41 -10.321 3.911 3.627 1.00 0.00 N ATOM 582 CA ASP A 41 -10.706 2.562 4.048 1.00 0.00 C ATOM 583 C ASP A 41 -11.838 1.981 3.197 1.00 0.00 C ATOM 584 O ASP A 41 -12.898 1.606 3.699 1.00 0.00 O ATOM 585 CB ASP A 41 -11.021 2.522 5.551 1.00 0.00 C ATOM 586 CG ASP A 41 -9.756 2.501 6.381 1.00 0.00 C ATOM 587 OD1 ASP A 41 -8.857 1.668 6.129 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.603 3.294 7.325 1.00 0.00 O ATOM 0 H ASP A 41 -9.310 4.040 3.592 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.847 1.913 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.621 3.391 5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.620 1.639 5.775 1.00 0.00 H new ATOM 593 N CYS A 42 -11.576 1.886 1.893 1.00 0.00 N ATOM 594 CA CYS A 42 -12.455 1.216 0.947 1.00 0.00 C ATOM 595 C CYS A 42 -12.059 -0.262 0.819 1.00 0.00 C ATOM 596 O CYS A 42 -11.189 -0.727 1.549 1.00 0.00 O ATOM 597 CB CYS A 42 -12.432 1.953 -0.369 1.00 0.00 C ATOM 598 SG CYS A 42 -11.233 1.370 -1.591 1.00 0.00 S ATOM 0 H CYS A 42 -10.738 2.278 1.464 1.00 0.00 H new ATOM 0 HA CYS A 42 -13.484 1.232 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.427 1.896 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.232 3.006 -0.169 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.589 1.773 -2.775 1.00 0.00 H new ATOM 603 N GLY A 43 -12.688 -0.992 -0.106 1.00 0.00 N ATOM 604 CA GLY A 43 -12.309 -2.349 -0.472 1.00 0.00 C ATOM 605 C GLY A 43 -12.061 -2.406 -1.977 1.00 0.00 C ATOM 606 O GLY A 43 -13.020 -2.400 -2.747 1.00 0.00 O ATOM 0 H GLY A 43 -13.491 -0.644 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.411 -2.648 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.097 -3.048 -0.193 1.00 0.00 H new ATOM 610 N ALA A 44 -10.796 -2.454 -2.402 1.00 0.00 N ATOM 611 CA ALA A 44 -10.405 -2.575 -3.800 1.00 0.00 C ATOM 612 C ALA A 44 -8.943 -3.019 -3.899 1.00 0.00 C ATOM 613 O ALA A 44 -8.662 -4.170 -4.235 1.00 0.00 O ATOM 614 CB ALA A 44 -10.648 -1.250 -4.540 1.00 0.00 C ATOM 0 H ALA A 44 -10.000 -2.408 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.019 -3.337 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.351 -1.356 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.706 -0.993 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.060 -0.460 -4.074 1.00 0.00 H new ATOM 620 N CYS A 45 -8.015 -2.095 -3.640 1.00 0.00 N ATOM 621 CA CYS A 45 -6.583 -2.285 -3.829 1.00 0.00 C ATOM 622 C CYS A 45 -6.070 -3.576 -3.163 1.00 0.00 C ATOM 623 O CYS A 45 -5.341 -4.346 -3.794 1.00 0.00 O ATOM 624 CB CYS A 45 -5.844 -1.036 -3.406 1.00 0.00 C ATOM 625 SG CYS A 45 -5.909 -0.650 -1.640 1.00 0.00 S ATOM 0 H CYS A 45 -8.250 -1.169 -3.283 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.380 -2.434 -4.889 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.799 -1.137 -3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.250 -0.190 -3.960 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.237 0.439 -1.409 1.00 0.00 H new ATOM 630 N GLU A 46 -6.489 -3.865 -1.926 1.00 0.00 N ATOM 631 CA GLU A 46 -6.069 -5.060 -1.195 1.00 0.00 C ATOM 632 C GLU A 46 -6.498 -6.341 -1.913 1.00 0.00 C ATOM 633 O GLU A 46 -5.770 -7.336 -1.922 1.00 0.00 O ATOM 634 CB GLU A 46 -6.576 -5.074 0.262 1.00 0.00 C ATOM 635 CG GLU A 46 -7.162 -3.766 0.814 1.00 0.00 C ATOM 636 CD GLU A 46 -8.604 -3.547 0.382 1.00 0.00 C ATOM 637 OE1 GLU A 46 -8.776 -3.072 -0.762 1.00 0.00 O ATOM 638 OE2 GLU A 46 -9.502 -3.891 1.181 1.00 0.00 O ATOM 0 H GLU A 46 -7.133 -3.271 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.980 -5.024 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.339 -5.848 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.748 -5.371 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.110 -3.779 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.553 -2.927 0.476 1.00 0.00 H new ATOM 645 N ALA A 47 -7.707 -6.313 -2.477 1.00 0.00 N ATOM 646 CA ALA A 47 -8.265 -7.425 -3.229 1.00 0.00 C ATOM 647 C ALA A 47 -7.563 -7.539 -4.584 1.00 0.00 C ATOM 648 O ALA A 47 -7.346 -8.641 -5.082 1.00 0.00 O ATOM 649 CB ALA A 47 -9.784 -7.249 -3.382 1.00 0.00 C ATOM 0 H ALA A 47 -8.328 -5.506 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.096 -8.356 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.192 -8.087 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.248 -7.216 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.991 -6.319 -3.912 1.00 0.00 H new ATOM 655 N VAL A 48 -7.224 -6.398 -5.191 1.00 0.00 N ATOM 656 CA VAL A 48 -6.546 -6.349 -6.474 1.00 0.00 C ATOM 657 C VAL A 48 -5.134 -6.934 -6.370 1.00 0.00 C ATOM 658 O VAL A 48 -4.738 -7.681 -7.263 1.00 0.00 O ATOM 659 CB VAL A 48 -6.586 -4.909 -7.010 1.00 0.00 C ATOM 660 CG1 VAL A 48 -5.600 -4.679 -8.158 1.00 0.00 C ATOM 661 CG2 VAL A 48 -8.010 -4.549 -7.470 1.00 0.00 C ATOM 0 H VAL A 48 -7.418 -5.478 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.062 -6.977 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.286 -4.260 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.671 -3.646 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.586 -4.878 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.840 -5.349 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.023 -3.526 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.320 -5.231 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.697 -4.634 -6.628 1.00 0.00 H new ATOM 671 N CYS A 49 -4.368 -6.614 -5.318 1.00 0.00 N ATOM 672 CA CYS A 49 -3.044 -7.212 -5.121 1.00 0.00 C ATOM 673 C CYS A 49 -3.202 -8.743 -5.035 1.00 0.00 C ATOM 674 O CYS A 49 -3.790 -9.218 -4.062 1.00 0.00 O ATOM 675 CB CYS A 49 -2.401 -6.646 -3.867 1.00 0.00 C ATOM 676 SG CYS A 49 -0.639 -6.910 -3.603 1.00 0.00 S ATOM 0 H CYS A 49 -4.642 -5.948 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.390 -6.973 -5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.578 -5.571 -3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.929 -7.061 -3.009 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.236 -6.181 -2.605 1.00 0.00 H new ATOM 681 N PRO A 50 -2.704 -9.550 -5.995 1.00 0.00 N ATOM 682 CA PRO A 50 -2.974 -10.992 -6.066 1.00 0.00 C ATOM 683 C PRO A 50 -2.075 -11.772 -5.091 1.00 0.00 C ATOM 684 O PRO A 50 -1.509 -12.813 -5.421 1.00 0.00 O ATOM 685 CB PRO A 50 -2.694 -11.356 -7.528 1.00 0.00 C ATOM 686 CG PRO A 50 -1.543 -10.416 -7.888 1.00 0.00 C ATOM 687 CD PRO A 50 -1.898 -9.133 -7.135 1.00 0.00 C ATOM 0 HA PRO A 50 -3.993 -11.246 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.413 -12.403 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.566 -11.191 -8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.580 -10.817 -7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.480 -10.249 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.999 -8.611 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.452 -8.445 -7.774 1.00 0.00 H new ATOM 695 N VAL A 51 -1.930 -11.222 -3.891 1.00 0.00 N ATOM 696 CA VAL A 51 -1.003 -11.576 -2.829 1.00 0.00 C ATOM 697 C VAL A 51 -1.542 -10.983 -1.518 1.00 0.00 C ATOM 698 O VAL A 51 -1.348 -11.571 -0.457 1.00 0.00 O ATOM 699 CB VAL A 51 0.447 -11.107 -3.151 1.00 0.00 C ATOM 700 CG1 VAL A 51 0.596 -10.330 -4.469 1.00 0.00 C ATOM 701 CG2 VAL A 51 1.061 -10.203 -2.075 1.00 0.00 C ATOM 0 H VAL A 51 -2.520 -10.438 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.936 -12.660 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 51 0.969 -12.062 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.639 -10.045 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.278 -10.959 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.023 -9.434 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.071 -9.919 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.450 -9.307 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.099 -10.740 -1.127 1.00 0.00 H new ATOM 711 N SER A 52 -2.189 -9.807 -1.581 1.00 0.00 N ATOM 712 CA SER A 52 -2.644 -9.063 -0.424 1.00 0.00 C ATOM 713 C SER A 52 -1.465 -8.763 0.505 1.00 0.00 C ATOM 714 O SER A 52 -1.446 -9.156 1.668 1.00 0.00 O ATOM 715 CB SER A 52 -3.820 -9.785 0.235 1.00 0.00 C ATOM 716 OG SER A 52 -4.830 -10.021 -0.735 1.00 0.00 O ATOM 0 H SER A 52 -2.409 -9.348 -2.465 1.00 0.00 H new ATOM 0 HA SER A 52 -3.033 -8.089 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.486 -10.729 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.218 -9.184 1.053 1.00 0.00 H new ATOM 0 HG SER A 52 -5.118 -9.168 -1.122 1.00 0.00 H new ATOM 722 N ALA A 53 -0.484 -8.042 -0.049 1.00 0.00 N ATOM 723 CA ALA A 53 0.641 -7.446 0.670 1.00 0.00 C ATOM 724 C ALA A 53 0.173 -6.204 1.430 1.00 0.00 C ATOM 725 O ALA A 53 0.806 -5.761 2.390 1.00 0.00 O ATOM 726 CB ALA A 53 1.713 -7.029 -0.340 1.00 0.00 C ATOM 0 H ALA A 53 -0.453 -7.852 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 53 1.044 -8.174 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.556 -6.583 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.053 -7.905 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.294 -6.301 -1.035 1.00 0.00 H new ATOM 732 N ILE A 54 -0.922 -5.622 0.940 1.00 0.00 N ATOM 733 CA ILE A 54 -1.621 -4.513 1.544 1.00 0.00 C ATOM 734 C ILE A 54 -2.350 -5.059 2.771 1.00 0.00 C ATOM 735 O ILE A 54 -3.222 -5.916 2.631 1.00 0.00 O ATOM 736 CB ILE A 54 -2.583 -3.911 0.504 1.00 0.00 C ATOM 737 CG1 ILE A 54 -1.821 -3.457 -0.755 1.00 0.00 C ATOM 738 CG2 ILE A 54 -3.342 -2.741 1.139 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.730 -3.073 -1.925 1.00 0.00 C ATOM 0 H ILE A 54 -1.357 -5.933 0.071 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.950 -3.715 1.860 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.297 -4.674 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.193 -2.603 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.155 -4.259 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.025 -2.310 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.909 -3.099 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.632 -1.980 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.120 -2.765 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.340 -3.931 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.379 -2.250 -1.627 1.00 0.00 H new ATOM 751 N TYR A 55 -1.989 -4.578 3.961 1.00 0.00 N ATOM 752 CA TYR A 55 -2.633 -4.932 5.211 1.00 0.00 C ATOM 753 C TYR A 55 -3.126 -3.655 5.869 1.00 0.00 C ATOM 754 O TYR A 55 -2.723 -2.559 5.490 1.00 0.00 O ATOM 755 CB TYR A 55 -1.614 -5.610 6.122 1.00 0.00 C ATOM 756 CG TYR A 55 -1.177 -6.982 5.657 1.00 0.00 C ATOM 757 CD1 TYR A 55 -2.120 -8.020 5.552 1.00 0.00 C ATOM 758 CD2 TYR A 55 0.147 -7.193 5.230 1.00 0.00 C ATOM 759 CE1 TYR A 55 -1.760 -9.235 4.947 1.00 0.00 C ATOM 760 CE2 TYR A 55 0.511 -8.416 4.645 1.00 0.00 C ATOM 761 CZ TYR A 55 -0.454 -9.420 4.464 1.00 0.00 C ATOM 762 OH TYR A 55 -0.180 -10.476 3.653 1.00 0.00 O ATOM 0 H TYR A 55 -1.222 -3.916 4.077 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.467 -5.611 5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.735 -4.970 6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.039 -5.697 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.120 -7.883 5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.884 -6.413 5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.488 -10.028 4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.532 -8.585 4.335 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.542 -10.304 2.759 1.00 0.00 H new ATOM 772 N HIS A 56 -3.979 -3.788 6.878 1.00 0.00 N ATOM 773 CA HIS A 56 -4.371 -2.642 7.673 1.00 0.00 C ATOM 774 C HIS A 56 -3.182 -2.189 8.510 1.00 0.00 C ATOM 775 O HIS A 56 -2.378 -3.015 8.942 1.00 0.00 O ATOM 776 CB HIS A 56 -5.592 -2.992 8.532 1.00 0.00 C ATOM 777 CG HIS A 56 -6.680 -1.960 8.425 1.00 0.00 C ATOM 778 ND1 HIS A 56 -7.850 -2.073 7.711 1.00 0.00 N ATOM 779 CD2 HIS A 56 -6.589 -0.672 8.866 1.00 0.00 C ATOM 780 CE1 HIS A 56 -8.456 -0.874 7.740 1.00 0.00 C ATOM 781 NE2 HIS A 56 -7.716 0.023 8.418 1.00 0.00 N ATOM 0 H HIS A 56 -4.406 -4.671 7.159 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.664 -1.813 7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.983 -3.962 8.225 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.285 -3.087 9.574 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.194 -2.913 7.245 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.785 -0.261 9.459 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.409 -0.659 7.281 1.00 0.00 H new ATOM 789 N GLU A 57 -3.036 -0.886 8.741 1.00 0.00 N ATOM 790 CA GLU A 57 -1.914 -0.381 9.499 1.00 0.00 C ATOM 791 C GLU A 57 -1.756 -1.102 10.836 1.00 0.00 C ATOM 792 O GLU A 57 -0.656 -1.517 11.210 1.00 0.00 O ATOM 793 CB GLU A 57 -2.116 1.130 9.686 1.00 0.00 C ATOM 794 CG GLU A 57 -0.776 1.841 9.806 1.00 0.00 C ATOM 795 CD GLU A 57 -0.470 2.355 11.206 1.00 0.00 C ATOM 796 OE1 GLU A 57 -0.166 1.511 12.077 1.00 0.00 O ATOM 797 OE2 GLU A 57 -0.477 3.600 11.349 1.00 0.00 O ATOM 0 H GLU A 57 -3.683 -0.170 8.412 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.988 -0.568 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.674 1.535 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.712 1.314 10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.015 1.156 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.758 2.680 9.110 1.00 0.00 H new ATOM 804 N ASP A 58 -2.874 -1.306 11.528 1.00 0.00 N ATOM 805 CA ASP A 58 -2.928 -1.978 12.809 1.00 0.00 C ATOM 806 C ASP A 58 -2.629 -3.473 12.701 1.00 0.00 C ATOM 807 O ASP A 58 -2.292 -4.092 13.706 1.00 0.00 O ATOM 808 CB ASP A 58 -4.300 -1.721 13.431 1.00 0.00 C ATOM 809 CG ASP A 58 -5.412 -2.223 12.531 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.544 -1.597 11.457 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.061 -3.223 12.897 1.00 0.00 O ATOM 0 H ASP A 58 -3.788 -0.997 11.198 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.148 -1.572 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.361 -2.216 14.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.427 -0.653 13.610 1.00 0.00 H new ATOM 816 N PHE A 59 -2.695 -4.054 11.499 1.00 0.00 N ATOM 817 CA PHE A 59 -2.303 -5.439 11.294 1.00 0.00 C ATOM 818 C PHE A 59 -0.786 -5.518 11.172 1.00 0.00 C ATOM 819 O PHE A 59 -0.177 -6.491 11.607 1.00 0.00 O ATOM 820 CB PHE A 59 -2.931 -5.987 10.007 1.00 0.00 C ATOM 821 CG PHE A 59 -4.334 -6.546 10.097 1.00 0.00 C ATOM 822 CD1 PHE A 59 -5.273 -6.023 11.007 1.00 0.00 C ATOM 823 CD2 PHE A 59 -4.718 -7.565 9.206 1.00 0.00 C ATOM 824 CE1 PHE A 59 -6.578 -6.539 11.044 1.00 0.00 C ATOM 825 CE2 PHE A 59 -6.026 -8.076 9.240 1.00 0.00 C ATOM 826 CZ PHE A 59 -6.955 -7.567 10.162 1.00 0.00 C ATOM 0 H PHE A 59 -3.018 -3.580 10.656 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.648 -6.031 12.142 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.935 -5.186 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.280 -6.772 9.623 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.989 -5.225 11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.005 -7.955 8.494 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.293 -6.146 11.751 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.317 -8.860 8.557 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.958 -7.965 10.194 1.00 0.00 H new ATOM 836 N VAL A 60 -0.184 -4.532 10.503 1.00 0.00 N ATOM 837 CA VAL A 60 1.217 -4.598 10.131 1.00 0.00 C ATOM 838 C VAL A 60 2.111 -4.683 11.380 1.00 0.00 C ATOM 839 O VAL A 60 2.057 -3.769 12.208 1.00 0.00 O ATOM 840 CB VAL A 60 1.566 -3.419 9.211 1.00 0.00 C ATOM 841 CG1 VAL A 60 3.078 -3.372 8.983 1.00 0.00 C ATOM 842 CG2 VAL A 60 0.845 -3.634 7.874 1.00 0.00 C ATOM 0 H VAL A 60 -0.655 -3.676 10.210 1.00 0.00 H new ATOM 0 HA VAL A 60 1.406 -5.511 9.566 1.00 0.00 H new ATOM 0 HB VAL A 60 1.254 -2.478 9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.322 -2.534 8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.586 -3.247 9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.405 -4.302 8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.076 -2.809 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.177 -4.571 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.231 -3.674 8.043 1.00 0.00 H new ATOM 852 N PRO A 61 2.928 -5.748 11.520 1.00 0.00 N ATOM 853 CA PRO A 61 3.890 -5.892 12.604 1.00 0.00 C ATOM 854 C PRO A 61 4.826 -4.689 12.706 1.00 0.00 C ATOM 855 O PRO A 61 5.162 -4.074 11.694 1.00 0.00 O ATOM 856 CB PRO A 61 4.687 -7.163 12.301 1.00 0.00 C ATOM 857 CG PRO A 61 3.729 -7.991 11.452 1.00 0.00 C ATOM 858 CD PRO A 61 2.976 -6.926 10.660 1.00 0.00 C ATOM 0 HA PRO A 61 3.373 -5.953 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.609 -6.940 11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.969 -7.687 13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.261 -8.681 10.798 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.057 -8.589 12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.485 -6.704 9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.972 -7.265 10.406 1.00 0.00 H new ATOM 866 N GLU A 62 5.269 -4.373 13.922 1.00 0.00 N ATOM 867 CA GLU A 62 6.124 -3.233 14.222 1.00 0.00 C ATOM 868 C GLU A 62 7.373 -3.239 13.326 1.00 0.00 C ATOM 869 O GLU A 62 7.759 -2.212 12.770 1.00 0.00 O ATOM 870 CB GLU A 62 6.471 -3.274 15.716 1.00 0.00 C ATOM 871 CG GLU A 62 6.898 -1.905 16.262 1.00 0.00 C ATOM 872 CD GLU A 62 5.767 -0.881 16.211 1.00 0.00 C ATOM 873 OE1 GLU A 62 4.619 -1.273 16.519 1.00 0.00 O ATOM 874 OE2 GLU A 62 6.058 0.272 15.829 1.00 0.00 O ATOM 0 H GLU A 62 5.034 -4.922 14.749 1.00 0.00 H new ATOM 0 HA GLU A 62 5.605 -2.298 14.010 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.606 -3.630 16.276 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.275 -3.992 15.879 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.237 -2.017 17.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.746 -1.535 15.686 1.00 0.00 H new ATOM 881 N GLU A 63 7.960 -4.418 13.119 1.00 0.00 N ATOM 882 CA GLU A 63 9.048 -4.657 12.184 1.00 0.00 C ATOM 883 C GLU A 63 8.789 -3.966 10.840 1.00 0.00 C ATOM 884 O GLU A 63 9.660 -3.290 10.292 1.00 0.00 O ATOM 885 CB GLU A 63 9.222 -6.168 11.971 1.00 0.00 C ATOM 886 CG GLU A 63 9.409 -6.970 13.270 1.00 0.00 C ATOM 887 CD GLU A 63 8.106 -7.557 13.814 1.00 0.00 C ATOM 888 OE1 GLU A 63 7.237 -6.749 14.211 1.00 0.00 O ATOM 889 OE2 GLU A 63 7.994 -8.800 13.806 1.00 0.00 O ATOM 0 H GLU A 63 7.677 -5.261 13.619 1.00 0.00 H new ATOM 0 HA GLU A 63 9.961 -4.238 12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.349 -6.552 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.085 -6.336 11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.116 -7.780 13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.851 -6.323 14.027 1.00 0.00 H new ATOM 896 N TRP A 64 7.578 -4.149 10.311 1.00 0.00 N ATOM 897 CA TRP A 64 7.159 -3.650 9.014 1.00 0.00 C ATOM 898 C TRP A 64 6.418 -2.318 9.123 1.00 0.00 C ATOM 899 O TRP A 64 6.214 -1.659 8.104 1.00 0.00 O ATOM 900 CB TRP A 64 6.331 -4.726 8.306 1.00 0.00 C ATOM 901 CG TRP A 64 7.080 -5.898 7.741 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.424 -5.997 7.588 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.527 -7.111 7.141 1.00 0.00 C ATOM 904 NE1 TRP A 64 8.729 -7.164 6.927 1.00 0.00 N ATOM 905 CE2 TRP A 64 7.604 -7.893 6.633 1.00 0.00 C ATOM 906 CE3 TRP A 64 5.222 -7.610 6.929 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.406 -9.090 5.934 1.00 0.00 C ATOM 908 CZ3 TRP A 64 5.009 -8.794 6.196 1.00 0.00 C ATOM 909 CH2 TRP A 64 6.098 -9.510 5.663 1.00 0.00 C ATOM 0 H TRP A 64 6.844 -4.666 10.794 1.00 0.00 H new ATOM 0 HA TRP A 64 8.043 -3.440 8.411 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.592 -5.104 9.012 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.781 -4.251 7.493 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.145 -5.270 7.933 1.00 0.00 H new ATOM 0 HE1 TRP A 64 9.677 -7.453 6.685 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.376 -7.076 7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.250 -9.681 5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.003 -9.155 6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.925 -10.380 5.047 1.00 0.00 H new ATOM 920 N LYS A 65 6.080 -1.848 10.330 1.00 0.00 N ATOM 921 CA LYS A 65 5.576 -0.513 10.516 1.00 0.00 C ATOM 922 C LYS A 65 6.599 0.528 10.044 1.00 0.00 C ATOM 923 O LYS A 65 6.237 1.671 9.785 1.00 0.00 O ATOM 924 CB LYS A 65 5.168 -0.322 11.972 1.00 0.00 C ATOM 925 CG LYS A 65 3.772 -0.872 12.288 1.00 0.00 C ATOM 926 CD LYS A 65 3.227 -0.135 13.517 1.00 0.00 C ATOM 927 CE LYS A 65 1.955 -0.768 14.088 1.00 0.00 C ATOM 928 NZ LYS A 65 0.796 -0.659 13.177 1.00 0.00 N ATOM 0 H LYS A 65 6.153 -2.391 11.190 1.00 0.00 H new ATOM 0 HA LYS A 65 4.688 -0.366 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.899 -0.814 12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.195 0.741 12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.107 -0.731 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.821 -1.944 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.994 -0.117 14.291 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.020 0.901 13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.144 -1.820 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.711 -0.288 15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.081 -0.833 13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.767 0.295 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.885 -1.362 12.416 1.00 0.00 H new ATOM 942 N SER A 66 7.864 0.139 9.873 1.00 0.00 N ATOM 943 CA SER A 66 8.863 0.949 9.199 1.00 0.00 C ATOM 944 C SER A 66 8.309 1.422 7.844 1.00 0.00 C ATOM 945 O SER A 66 8.358 2.610 7.516 1.00 0.00 O ATOM 946 CB SER A 66 10.114 0.083 9.022 1.00 0.00 C ATOM 947 OG SER A 66 9.735 -1.188 8.517 1.00 0.00 O ATOM 0 H SER A 66 8.221 -0.757 10.204 1.00 0.00 H new ATOM 0 HA SER A 66 9.115 1.837 9.778 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.811 0.566 8.338 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.630 -0.030 9.975 1.00 0.00 H new ATOM 0 HG SER A 66 9.734 -1.843 9.246 1.00 0.00 H new ATOM 953 N TYR A 67 7.726 0.503 7.067 1.00 0.00 N ATOM 954 CA TYR A 67 7.084 0.868 5.816 1.00 0.00 C ATOM 955 C TYR A 67 5.899 1.783 6.055 1.00 0.00 C ATOM 956 O TYR A 67 5.654 2.653 5.235 1.00 0.00 O ATOM 957 CB TYR A 67 6.568 -0.338 5.037 1.00 0.00 C ATOM 958 CG TYR A 67 7.644 -1.222 4.441 1.00 0.00 C ATOM 959 CD1 TYR A 67 8.302 -0.820 3.266 1.00 0.00 C ATOM 960 CD2 TYR A 67 7.990 -2.441 5.057 1.00 0.00 C ATOM 961 CE1 TYR A 67 9.307 -1.630 2.711 1.00 0.00 C ATOM 962 CE2 TYR A 67 8.989 -3.254 4.494 1.00 0.00 C ATOM 963 CZ TYR A 67 9.652 -2.845 3.323 1.00 0.00 C ATOM 964 OH TYR A 67 10.642 -3.601 2.776 1.00 0.00 O ATOM 0 H TYR A 67 7.689 -0.492 7.287 1.00 0.00 H new ATOM 0 HA TYR A 67 7.859 1.369 5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.948 -0.942 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.923 0.016 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.035 0.112 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.488 -2.751 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.815 -1.317 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.248 -4.193 4.961 1.00 0.00 H new ATOM 0 HH TYR A 67 10.499 -4.543 3.005 1.00 0.00 H new ATOM 974 N ILE A 68 5.122 1.588 7.117 1.00 0.00 N ATOM 975 CA ILE A 68 3.960 2.414 7.377 1.00 0.00 C ATOM 976 C ILE A 68 4.441 3.840 7.600 1.00 0.00 C ATOM 977 O ILE A 68 3.910 4.779 7.011 1.00 0.00 O ATOM 978 CB ILE A 68 3.190 1.816 8.560 1.00 0.00 C ATOM 979 CG1 ILE A 68 2.277 0.660 8.122 1.00 0.00 C ATOM 980 CG2 ILE A 68 2.392 2.856 9.340 1.00 0.00 C ATOM 981 CD1 ILE A 68 2.876 -0.276 7.070 1.00 0.00 C ATOM 0 H ILE A 68 5.283 0.859 7.812 1.00 0.00 H new ATOM 0 HA ILE A 68 3.262 2.440 6.540 1.00 0.00 H new ATOM 0 HB ILE A 68 3.950 1.421 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.014 0.072 9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.350 1.078 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.869 2.371 10.164 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.069 3.613 9.735 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.666 3.329 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.157 -1.058 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.113 0.292 6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.786 -0.730 7.463 1.00 0.00 H new ATOM 993 N GLN A 69 5.489 3.991 8.407 1.00 0.00 N ATOM 994 CA GLN A 69 6.133 5.266 8.610 1.00 0.00 C ATOM 995 C GLN A 69 6.572 5.838 7.262 1.00 0.00 C ATOM 996 O GLN A 69 6.324 7.007 6.992 1.00 0.00 O ATOM 997 CB GLN A 69 7.294 5.106 9.602 1.00 0.00 C ATOM 998 CG GLN A 69 7.799 6.460 10.115 1.00 0.00 C ATOM 999 CD GLN A 69 6.722 7.239 10.870 1.00 0.00 C ATOM 1000 OE1 GLN A 69 5.881 6.662 11.552 1.00 0.00 O ATOM 1001 NE2 GLN A 69 6.715 8.561 10.739 1.00 0.00 N ATOM 0 H GLN A 69 5.908 3.225 8.935 1.00 0.00 H new ATOM 0 HA GLN A 69 5.437 5.981 9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.969 4.496 10.445 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.113 4.572 9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.654 6.300 10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.151 7.056 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.424 9.021 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.001 9.116 11.210 1.00 0.00 H new ATOM 1010 N LYS A 70 7.180 5.028 6.391 1.00 0.00 N ATOM 1011 CA LYS A 70 7.645 5.502 5.094 1.00 0.00 C ATOM 1012 C LYS A 70 6.493 5.962 4.200 1.00 0.00 C ATOM 1013 O LYS A 70 6.598 7.009 3.553 1.00 0.00 O ATOM 1014 CB LYS A 70 8.484 4.417 4.406 1.00 0.00 C ATOM 1015 CG LYS A 70 9.197 4.919 3.143 1.00 0.00 C ATOM 1016 CD LYS A 70 10.270 5.992 3.415 1.00 0.00 C ATOM 1017 CE LYS A 70 10.207 7.125 2.380 1.00 0.00 C ATOM 1018 NZ LYS A 70 9.003 7.976 2.522 1.00 0.00 N ATOM 0 H LYS A 70 7.360 4.039 6.565 1.00 0.00 H new ATOM 0 HA LYS A 70 8.273 6.376 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.226 4.039 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.839 3.579 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.664 4.072 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.455 5.327 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.130 6.403 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.259 5.533 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.097 7.747 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.225 6.695 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.500 8.021 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.375 7.571 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.287 8.935 2.808 1.00 0.00 H new ATOM 1032 N ASN A 71 5.432 5.155 4.139 1.00 0.00 N ATOM 1033 CA ASN A 71 4.165 5.469 3.479 1.00 0.00 C ATOM 1034 C ASN A 71 3.574 6.767 4.025 1.00 0.00 C ATOM 1035 O ASN A 71 3.060 7.575 3.259 1.00 0.00 O ATOM 1036 CB ASN A 71 3.145 4.332 3.635 1.00 0.00 C ATOM 1037 CG ASN A 71 3.296 3.194 2.627 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.602 3.131 1.616 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.205 2.267 2.894 1.00 0.00 N ATOM 0 H ASN A 71 5.433 4.228 4.565 1.00 0.00 H new ATOM 0 HA ASN A 71 4.381 5.592 2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.231 3.921 4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.142 4.748 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.338 1.484 2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.772 2.337 3.739 1.00 0.00 H new ATOM 1046 N ARG A 72 3.641 6.963 5.344 1.00 0.00 N ATOM 1047 CA ARG A 72 3.119 8.152 5.994 1.00 0.00 C ATOM 1048 C ARG A 72 3.927 9.333 5.477 1.00 0.00 C ATOM 1049 O ARG A 72 3.416 10.268 4.873 1.00 0.00 O ATOM 1050 CB ARG A 72 3.243 7.991 7.509 1.00 0.00 C ATOM 1051 CG ARG A 72 2.296 8.926 8.270 1.00 0.00 C ATOM 1052 CD ARG A 72 1.747 8.162 9.473 1.00 0.00 C ATOM 1053 NE ARG A 72 0.781 7.131 9.056 1.00 0.00 N ATOM 1054 CZ ARG A 72 0.362 6.091 9.800 1.00 0.00 C ATOM 1055 NH1 ARG A 72 0.877 5.826 11.001 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -0.596 5.283 9.352 1.00 0.00 N ATOM 0 H ARG A 72 4.062 6.294 5.988 1.00 0.00 H new ATOM 0 HA ARG A 72 2.064 8.313 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.028 6.958 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.271 8.193 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.825 9.822 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.482 9.254 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.569 7.695 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.266 8.858 10.160 1.00 0.00 H new ATOM 0 HE ARG A 72 0.394 7.213 8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.613 6.420 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.535 5.029 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.018 5.450 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.908 4.497 9.922 1.00 0.00 H new ATOM 1070 N ASP A 73 5.231 9.234 5.702 1.00 0.00 N ATOM 1071 CA ASP A 73 6.218 10.248 5.430 1.00 0.00 C ATOM 1072 C ASP A 73 6.197 10.719 3.985 1.00 0.00 C ATOM 1073 O ASP A 73 6.290 11.923 3.737 1.00 0.00 O ATOM 1074 CB ASP A 73 7.572 9.616 5.750 1.00 0.00 C ATOM 1075 CG ASP A 73 8.707 10.450 5.187 1.00 0.00 C ATOM 1076 OD1 ASP A 73 9.065 11.455 5.829 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.142 10.092 4.067 1.00 0.00 O ATOM 0 H ASP A 73 5.643 8.391 6.103 1.00 0.00 H new ATOM 0 HA ASP A 73 6.013 11.132 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.687 9.521 6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.615 8.609 5.335 1.00 0.00 H new ATOM 1082 N PHE A 74 6.137 9.765 3.047 1.00 0.00 N ATOM 1083 CA PHE A 74 6.251 10.002 1.612 1.00 0.00 C ATOM 1084 C PHE A 74 5.625 11.328 1.193 1.00 0.00 C ATOM 1085 O PHE A 74 6.299 12.149 0.576 1.00 0.00 O ATOM 1086 CB PHE A 74 5.684 8.835 0.807 1.00 0.00 C ATOM 1087 CG PHE A 74 6.718 8.071 0.004 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.278 8.665 -1.143 1.00 0.00 C ATOM 1089 CD2 PHE A 74 7.093 6.767 0.366 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.251 7.978 -1.888 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.121 6.114 -0.336 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.718 6.729 -1.447 1.00 0.00 C ATOM 0 H PHE A 74 6.004 8.780 3.278 1.00 0.00 H new ATOM 0 HA PHE A 74 7.315 10.073 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.188 8.145 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.921 9.214 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.959 9.650 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.593 6.267 1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.639 8.410 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.452 5.136 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.534 6.243 -1.961 1.00 0.00 H new ATOM 1102 N PHE A 75 4.362 11.521 1.570 1.00 0.00 N ATOM 1103 CA PHE A 75 3.530 12.619 1.106 1.00 0.00 C ATOM 1104 C PHE A 75 3.315 13.683 2.187 1.00 0.00 C ATOM 1105 O PHE A 75 2.544 14.613 1.963 1.00 0.00 O ATOM 1106 CB PHE A 75 2.193 12.036 0.634 1.00 0.00 C ATOM 1107 CG PHE A 75 2.313 10.687 -0.058 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.870 10.611 -1.346 1.00 0.00 C ATOM 1109 CD2 PHE A 75 2.054 9.503 0.661 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.165 9.359 -1.913 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.314 8.252 0.081 1.00 0.00 C ATOM 1112 CZ PHE A 75 2.884 8.181 -1.199 1.00 0.00 C ATOM 0 H PHE A 75 3.882 10.901 2.222 1.00 0.00 H new ATOM 0 HA PHE A 75 4.035 13.125 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.530 11.934 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.722 12.742 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.072 11.515 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.654 9.559 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.607 9.302 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.076 7.346 0.619 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.107 7.219 -1.637 1.00 0.00 H new ATOM 1122 N LYS A 76 3.912 13.524 3.377 1.00 0.00 N ATOM 1123 CA LYS A 76 3.625 14.367 4.541 1.00 0.00 C ATOM 1124 C LYS A 76 4.711 15.413 4.793 1.00 0.00 C ATOM 1125 O LYS A 76 4.522 16.295 5.628 1.00 0.00 O ATOM 1126 CB LYS A 76 3.401 13.472 5.770 1.00 0.00 C ATOM 1127 CG LYS A 76 1.914 13.147 5.981 1.00 0.00 C ATOM 1128 CD LYS A 76 1.192 12.595 4.739 1.00 0.00 C ATOM 1129 CE LYS A 76 -0.304 12.502 5.018 1.00 0.00 C ATOM 1130 NZ LYS A 76 -1.071 11.964 3.875 1.00 0.00 N ATOM 0 H LYS A 76 4.610 12.803 3.557 1.00 0.00 H new ATOM 0 HA LYS A 76 2.716 14.933 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.961 12.545 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.793 13.969 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.826 12.420 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.402 14.051 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.373 13.244 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.587 11.612 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.467 11.867 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.684 13.492 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.940 12.521 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.494 12.021 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.320 10.971 4.060 1.00 0.00 H new ATOM 1144 N LYS A 77 5.829 15.331 4.079 1.00 0.00 N ATOM 1145 CA LYS A 77 6.869 16.327 4.041 1.00 0.00 C ATOM 1146 C LYS A 77 7.437 16.267 2.627 1.00 0.00 C ATOM 1147 O LYS A 77 8.237 17.156 2.274 1.00 0.00 O ATOM 1148 CB LYS A 77 7.905 16.031 5.135 1.00 0.00 C ATOM 1149 CG LYS A 77 8.573 14.643 5.090 1.00 0.00 C ATOM 1150 CD LYS A 77 9.709 14.566 4.049 1.00 0.00 C ATOM 1151 CE LYS A 77 9.687 13.310 3.165 1.00 0.00 C ATOM 1152 NZ LYS A 77 8.382 13.083 2.511 1.00 0.00 N ATOM 1153 OXT LYS A 77 7.104 15.270 1.943 1.00 0.00 O ATOM 0 H LYS A 77 6.034 14.526 3.487 1.00 0.00 H new ATOM 0 HA LYS A 77 6.514 17.337 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.687 16.788 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.420 16.145 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.971 14.403 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.821 13.889 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.656 15.446 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.665 14.609 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.459 13.398 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.938 12.441 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.479 12.339 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.684 12.786 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.063 13.963 2.059 1.00 0.00 H new