USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 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 NoAdj-H: A 787 HIS HD1 : A 787 HIS ND1 : A 843 ZNZN :(H bumps) USER MOD Set 1.1: A 775 HIS : no HE2:sc= 1.33 K(o=2.4,f=-6.3) USER MOD Set 1.2: A 815 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0) USER MOD Set 2.1: A 805 ASN : amide:sc= 2.1 K(o=2.6,f=-2.4) USER MOD Set 2.2: A 819 SER OG : rot 180:sc= 0.48 USER MOD Set 2.3: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 767 THR OG1 : rot 77:sc= 0.725 USER MOD Set 3.2: A 774 THR OG1 : rot -83:sc= 0.628 USER MOD Set 3.3: A 792 HIS : no HE2:sc= -0.0672 X(o=1.3,f=0.95) USER MOD Set 4.1: A 763 CYS SG : rot -75:sc= 0.46 USER MOD Set 4.2: A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl -175:sc= 0 (180deg=-0.0405) USER MOD Single : A -4 GLY N :NH3+ -103:sc= 0.0529 (180deg=0) USER MOD Single : A 755 MET CE :methyl 170:sc= 0 (180deg=-0.135) USER MOD Single : A 756 GLN : amide:sc= 0.565 K(o=0.57,f=0) USER MOD Single : A 757 SER OG : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 772 LYS NZ :NH3+ 175:sc= 1.39 (180deg=1.36) USER MOD Single : A 773 TYR OH : rot -166:sc= 0.396 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 784 SER OG : rot 83:sc= 0.642 USER MOD Single : A 786 ASN : amide:sc= 0.0292 X(o=0.029,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= 0.0938 X(o=0.094,f=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 809 SER OG : rot 180:sc= 0.138 USER MOD Single : A 816 LYS NZ :NH3+ -175:sc= 0.855 (180deg=0.841) USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 831 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 833 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 835 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 3.978 -0.688 2.366 1.00 0.00 N ATOM 2 CA GLY A -4 4.540 -0.273 1.061 1.00 0.00 C ATOM 3 C GLY A -4 4.828 -1.468 0.155 1.00 0.00 C ATOM 4 O GLY A -4 5.017 -2.584 0.662 1.00 0.00 O ATOM 0 H1 GLY A -4 2.953 -0.513 2.374 1.00 0.00 H new ATOM 0 H2 GLY A -4 4.158 -1.701 2.515 1.00 0.00 H new ATOM 0 H3 GLY A -4 4.428 -0.141 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A -4 3.841 0.399 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A -4 5.460 0.288 1.225 1.00 0.00 H new ATOM 10 N PRO A -3 4.870 -1.265 -1.181 1.00 0.00 N ATOM 11 CA PRO A -3 4.994 -2.345 -2.164 1.00 0.00 C ATOM 12 C PRO A -3 6.402 -2.956 -2.246 1.00 0.00 C ATOM 13 O PRO A -3 6.537 -4.095 -2.697 1.00 0.00 O ATOM 14 CB PRO A -3 4.586 -1.713 -3.496 1.00 0.00 C ATOM 15 CG PRO A -3 4.982 -0.248 -3.332 1.00 0.00 C ATOM 16 CD PRO A -3 4.691 0.018 -1.858 1.00 0.00 C ATOM 0 HA PRO A -3 4.362 -3.187 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A -3 5.104 -2.177 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A -3 3.517 -1.822 -3.681 1.00 0.00 H new ATOM 0 HG2 PRO A -3 6.032 -0.084 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A -3 4.400 0.404 -3.983 1.00 0.00 H new ATOM 0 HD2 PRO A -3 5.368 0.771 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A -3 3.677 0.395 -1.721 1.00 0.00 H new ATOM 24 N MET A -2 7.446 -2.236 -1.808 1.00 0.00 N ATOM 25 CA MET A -2 8.856 -2.648 -1.912 1.00 0.00 C ATOM 26 C MET A -2 9.283 -3.735 -0.902 1.00 0.00 C ATOM 27 O MET A -2 10.451 -4.121 -0.878 1.00 0.00 O ATOM 28 CB MET A -2 9.762 -1.409 -1.785 1.00 0.00 C ATOM 29 CG MET A -2 9.547 -0.379 -2.906 1.00 0.00 C ATOM 30 SD MET A -2 9.716 -0.979 -4.615 1.00 0.00 S ATOM 31 CE MET A -2 11.452 -1.507 -4.599 1.00 0.00 C ATOM 0 H MET A -2 7.331 -1.327 -1.360 1.00 0.00 H new ATOM 0 HA MET A -2 8.969 -3.110 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A -2 9.579 -0.931 -0.823 1.00 0.00 H new ATOM 0 HB3 MET A -2 10.804 -1.728 -1.790 1.00 0.00 H new ATOM 0 HG2 MET A -2 8.549 0.044 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A -2 10.257 0.435 -2.760 1.00 0.00 H new ATOM 0 HE1 MET A -2 11.746 -1.820 -5.601 1.00 0.00 H new ATOM 0 HE2 MET A -2 12.082 -0.677 -4.279 1.00 0.00 H new ATOM 0 HE3 MET A -2 11.572 -2.341 -3.908 1.00 0.00 H new ATOM 41 N GLY A -1 8.374 -4.217 -0.049 1.00 0.00 N ATOM 42 CA GLY A -1 8.649 -5.249 0.956 1.00 0.00 C ATOM 43 C GLY A -1 9.621 -4.737 2.020 1.00 0.00 C ATOM 44 O GLY A -1 9.340 -3.740 2.687 1.00 0.00 O ATOM 0 H GLY A -1 7.407 -3.894 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.717 -5.558 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.068 -6.131 0.471 1.00 0.00 H new ATOM 48 N MET A 755 10.760 -5.421 2.171 1.00 0.00 N ATOM 49 CA MET A 755 11.870 -5.014 3.051 1.00 0.00 C ATOM 50 C MET A 755 13.013 -4.270 2.328 1.00 0.00 C ATOM 51 O MET A 755 13.958 -3.841 2.991 1.00 0.00 O ATOM 52 CB MET A 755 12.368 -6.231 3.851 1.00 0.00 C ATOM 53 CG MET A 755 12.864 -7.433 3.029 1.00 0.00 C ATOM 54 SD MET A 755 14.384 -7.216 2.060 1.00 0.00 S ATOM 55 CE MET A 755 15.591 -6.988 3.390 1.00 0.00 C ATOM 0 H MET A 755 10.944 -6.293 1.675 1.00 0.00 H new ATOM 0 HA MET A 755 11.475 -4.271 3.744 1.00 0.00 H new ATOM 0 HB2 MET A 755 13.179 -5.904 4.501 1.00 0.00 H new ATOM 0 HB3 MET A 755 11.558 -6.570 4.497 1.00 0.00 H new ATOM 0 HG2 MET A 755 13.017 -8.268 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 755 12.067 -7.724 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 755 16.599 -7.019 2.976 1.00 0.00 H new ATOM 0 HE2 MET A 755 15.425 -6.024 3.870 1.00 0.00 H new ATOM 0 HE3 MET A 755 15.477 -7.784 4.126 1.00 0.00 H new ATOM 65 N GLN A 756 12.894 -4.125 0.997 1.00 0.00 N ATOM 66 CA GLN A 756 13.816 -3.643 -0.053 1.00 0.00 C ATOM 67 C GLN A 756 13.722 -4.614 -1.241 1.00 0.00 C ATOM 68 O GLN A 756 13.582 -4.184 -2.385 1.00 0.00 O ATOM 69 CB GLN A 756 15.290 -3.496 0.381 1.00 0.00 C ATOM 70 CG GLN A 756 15.578 -2.129 1.035 1.00 0.00 C ATOM 71 CD GLN A 756 16.804 -2.177 1.945 1.00 0.00 C ATOM 72 OE1 GLN A 756 17.883 -1.687 1.624 1.00 0.00 O ATOM 73 NE2 GLN A 756 16.691 -2.792 3.109 1.00 0.00 N ATOM 0 H GLN A 756 12.007 -4.385 0.565 1.00 0.00 H new ATOM 0 HA GLN A 756 13.499 -2.632 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 756 15.540 -4.291 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 756 15.936 -3.623 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 756 15.733 -1.381 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 756 14.709 -1.814 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 756 15.799 -3.202 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 756 17.496 -2.856 3.732 1.00 0.00 H new ATOM 82 N SER A 757 13.728 -5.921 -0.957 1.00 0.00 N ATOM 83 CA SER A 757 13.263 -6.982 -1.860 1.00 0.00 C ATOM 84 C SER A 757 11.784 -7.311 -1.587 1.00 0.00 C ATOM 85 O SER A 757 11.301 -7.199 -0.454 1.00 0.00 O ATOM 86 CB SER A 757 14.123 -8.249 -1.703 1.00 0.00 C ATOM 87 OG SER A 757 15.454 -8.023 -2.149 1.00 0.00 O ATOM 0 H SER A 757 14.067 -6.282 -0.065 1.00 0.00 H new ATOM 0 HA SER A 757 13.361 -6.622 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 757 14.134 -8.558 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.679 -9.066 -2.272 1.00 0.00 H new ATOM 0 HG SER A 757 15.980 -8.842 -2.037 1.00 0.00 H new ATOM 93 N ILE A 758 11.054 -7.731 -2.628 1.00 0.00 N ATOM 94 CA ILE A 758 9.611 -8.040 -2.556 1.00 0.00 C ATOM 95 C ILE A 758 9.385 -9.376 -1.820 1.00 0.00 C ATOM 96 O ILE A 758 10.150 -10.327 -1.996 1.00 0.00 O ATOM 97 CB ILE A 758 8.976 -8.068 -3.977 1.00 0.00 C ATOM 98 CG1 ILE A 758 9.484 -6.963 -4.941 1.00 0.00 C ATOM 99 CG2 ILE A 758 7.443 -7.994 -3.877 1.00 0.00 C ATOM 100 CD1 ILE A 758 9.317 -5.515 -4.460 1.00 0.00 C ATOM 0 H ILE A 758 11.449 -7.869 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 758 9.117 -7.250 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 758 9.294 -9.016 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 758 10.542 -7.139 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 758 8.961 -7.071 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 758 7.012 -8.014 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 758 7.074 -8.846 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 758 7.155 -7.069 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 758 9.707 -4.833 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.260 -5.306 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 758 9.865 -5.376 -3.528 1.00 0.00 H new ATOM 112 N ARG A 759 8.319 -9.477 -1.016 1.00 0.00 N ATOM 113 CA ARG A 759 8.030 -10.626 -0.131 1.00 0.00 C ATOM 114 C ARG A 759 7.393 -11.854 -0.838 1.00 0.00 C ATOM 115 O ARG A 759 6.517 -12.540 -0.307 1.00 0.00 O ATOM 116 CB ARG A 759 7.264 -10.124 1.108 1.00 0.00 C ATOM 117 CG ARG A 759 5.786 -9.794 0.839 1.00 0.00 C ATOM 118 CD ARG A 759 5.234 -8.886 1.941 1.00 0.00 C ATOM 119 NE ARG A 759 3.756 -8.882 1.944 1.00 0.00 N ATOM 120 CZ ARG A 759 2.957 -8.785 3.003 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.416 -8.565 4.221 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.658 -8.919 2.851 1.00 0.00 N ATOM 0 H ARG A 759 7.611 -8.745 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 759 8.980 -11.043 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.320 -10.882 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.760 -9.233 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.687 -9.303 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.204 -10.714 0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.601 -9.223 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.602 -7.870 1.797 1.00 0.00 H new ATOM 0 HE ARG A 759 3.299 -8.962 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 759 4.419 -8.462 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.768 -8.498 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.268 -9.096 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 759 1.040 -8.846 3.659 1.00 0.00 H new ATOM 136 N GLU A 760 7.851 -12.118 -2.056 1.00 0.00 N ATOM 137 CA GLU A 760 7.529 -13.271 -2.908 1.00 0.00 C ATOM 138 C GLU A 760 8.721 -13.578 -3.830 1.00 0.00 C ATOM 139 O GLU A 760 9.576 -12.713 -4.035 1.00 0.00 O ATOM 140 CB GLU A 760 6.241 -13.036 -3.721 1.00 0.00 C ATOM 141 CG GLU A 760 6.253 -11.751 -4.568 1.00 0.00 C ATOM 142 CD GLU A 760 5.097 -11.678 -5.576 1.00 0.00 C ATOM 143 OE1 GLU A 760 4.008 -12.248 -5.332 1.00 0.00 O ATOM 144 OE2 GLU A 760 5.268 -11.023 -6.633 1.00 0.00 O ATOM 0 H GLU A 760 8.508 -11.487 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 760 7.344 -14.134 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.080 -13.890 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.394 -12.998 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.203 -10.887 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 760 7.199 -11.687 -5.105 1.00 0.00 H new ATOM 151 N GLN A 761 8.804 -14.787 -4.393 1.00 0.00 N ATOM 152 CA GLN A 761 9.982 -15.228 -5.156 1.00 0.00 C ATOM 153 C GLN A 761 9.655 -16.235 -6.265 1.00 0.00 C ATOM 154 O GLN A 761 8.753 -17.063 -6.137 1.00 0.00 O ATOM 155 CB GLN A 761 11.062 -15.758 -4.193 1.00 0.00 C ATOM 156 CG GLN A 761 10.692 -17.092 -3.518 1.00 0.00 C ATOM 157 CD GLN A 761 11.590 -17.361 -2.310 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.653 -17.967 -2.391 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.213 -16.883 -1.139 1.00 0.00 N ATOM 0 H GLN A 761 8.063 -15.486 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 761 10.372 -14.355 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.995 -15.886 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.247 -15.010 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.649 -17.067 -3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.788 -17.906 -4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.332 -16.377 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.803 -17.020 -0.318 1.00 0.00 H new ATOM 168 N SER A 762 10.416 -16.164 -7.357 1.00 0.00 N ATOM 169 CA SER A 762 10.262 -17.026 -8.538 1.00 0.00 C ATOM 170 C SER A 762 10.685 -18.480 -8.271 1.00 0.00 C ATOM 171 O SER A 762 11.576 -18.756 -7.459 1.00 0.00 O ATOM 172 CB SER A 762 11.072 -16.467 -9.720 1.00 0.00 C ATOM 173 OG SER A 762 10.794 -15.090 -9.962 1.00 0.00 O ATOM 0 H SER A 762 11.176 -15.491 -7.451 1.00 0.00 H new ATOM 0 HA SER A 762 9.200 -17.031 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 762 12.136 -16.591 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.847 -17.044 -10.617 1.00 0.00 H new ATOM 0 HG SER A 762 11.331 -14.776 -10.719 1.00 0.00 H new ATOM 179 N CYS A 763 10.067 -19.423 -8.992 1.00 0.00 N ATOM 180 CA CYS A 763 10.283 -20.867 -8.858 1.00 0.00 C ATOM 181 C CYS A 763 10.024 -21.578 -10.199 1.00 0.00 C ATOM 182 O CYS A 763 9.333 -21.035 -11.073 1.00 0.00 O ATOM 183 CB CYS A 763 9.365 -21.363 -7.725 1.00 0.00 C ATOM 184 SG CYS A 763 9.840 -23.016 -7.129 1.00 0.00 S ATOM 0 H CYS A 763 9.379 -19.193 -9.709 1.00 0.00 H new ATOM 0 HA CYS A 763 11.317 -21.095 -8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 763 9.399 -20.656 -6.896 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.335 -21.389 -8.080 1.00 0.00 H new ATOM 0 HG CYS A 763 9.473 -23.912 -7.996 1.00 0.00 H new ATOM 190 N ARG A 764 10.538 -22.803 -10.356 1.00 0.00 N ATOM 191 CA ARG A 764 10.041 -23.739 -11.370 1.00 0.00 C ATOM 192 C ARG A 764 8.772 -24.415 -10.838 1.00 0.00 C ATOM 193 O ARG A 764 8.693 -24.751 -9.653 1.00 0.00 O ATOM 194 CB ARG A 764 11.137 -24.742 -11.767 1.00 0.00 C ATOM 195 CG ARG A 764 10.820 -25.374 -13.138 1.00 0.00 C ATOM 196 CD ARG A 764 11.875 -26.378 -13.614 1.00 0.00 C ATOM 197 NE ARG A 764 11.955 -27.572 -12.752 1.00 0.00 N ATOM 198 CZ ARG A 764 12.887 -28.516 -12.826 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.824 -28.496 -13.751 1.00 0.00 N ATOM 200 NH2 ARG A 764 12.909 -29.504 -11.961 1.00 0.00 N ATOM 0 H ARG A 764 11.303 -23.171 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 764 9.779 -23.206 -12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.103 -24.238 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.216 -25.522 -11.010 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.854 -25.875 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.725 -24.581 -13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.643 -26.686 -14.634 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.849 -25.889 -13.642 1.00 0.00 H new ATOM 0 HE ARG A 764 11.234 -27.682 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.848 -27.741 -14.437 1.00 0.00 H new ATOM 0 HH12 ARG A 764 14.526 -29.235 -13.782 1.00 0.00 H new ATOM 0 HH21 ARG A 764 12.206 -29.552 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 764 13.629 -30.224 -12.027 1.00 0.00 H new ATOM 214 N VAL A 765 7.770 -24.578 -11.693 1.00 0.00 N ATOM 215 CA VAL A 765 6.403 -25.016 -11.362 1.00 0.00 C ATOM 216 C VAL A 765 5.908 -26.041 -12.390 1.00 0.00 C ATOM 217 O VAL A 765 6.532 -26.225 -13.435 1.00 0.00 O ATOM 218 CB VAL A 765 5.431 -23.808 -11.256 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.877 -22.797 -10.189 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.267 -23.056 -12.584 1.00 0.00 C ATOM 0 H VAL A 765 7.886 -24.401 -12.691 1.00 0.00 H new ATOM 0 HA VAL A 765 6.427 -25.497 -10.384 1.00 0.00 H new ATOM 0 HB VAL A 765 4.474 -24.247 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.167 -21.971 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.915 -23.287 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.866 -22.414 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.577 -22.223 -12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.235 -22.675 -12.909 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.872 -23.735 -13.340 1.00 0.00 H new ATOM 230 N VAL A 766 4.795 -26.708 -12.088 1.00 0.00 N ATOM 231 CA VAL A 766 4.261 -27.840 -12.854 1.00 0.00 C ATOM 232 C VAL A 766 2.736 -27.767 -12.952 1.00 0.00 C ATOM 233 O VAL A 766 2.063 -27.505 -11.955 1.00 0.00 O ATOM 234 CB VAL A 766 4.720 -29.182 -12.235 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.372 -29.340 -10.747 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.196 -30.405 -13.001 1.00 0.00 C ATOM 0 H VAL A 766 4.220 -26.471 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 766 4.658 -27.783 -13.867 1.00 0.00 H new ATOM 0 HB VAL A 766 5.806 -29.141 -12.322 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.728 -30.307 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.849 -28.544 -10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.291 -29.281 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.551 -31.316 -12.519 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.106 -30.395 -13.000 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.558 -30.373 -14.029 1.00 0.00 H new ATOM 246 N THR A 767 2.203 -28.060 -14.143 1.00 0.00 N ATOM 247 CA THR A 767 0.782 -28.364 -14.366 1.00 0.00 C ATOM 248 C THR A 767 0.647 -29.861 -14.630 1.00 0.00 C ATOM 249 O THR A 767 1.180 -30.358 -15.629 1.00 0.00 O ATOM 250 CB THR A 767 0.215 -27.550 -15.540 1.00 0.00 C ATOM 251 OG1 THR A 767 0.295 -26.181 -15.216 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.264 -27.858 -15.788 1.00 0.00 C ATOM 0 H THR A 767 2.758 -28.094 -14.998 1.00 0.00 H new ATOM 0 HA THR A 767 0.208 -28.088 -13.481 1.00 0.00 H new ATOM 0 HB THR A 767 0.792 -27.807 -16.428 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.218 -25.872 -15.329 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.624 -27.261 -16.626 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.381 -28.917 -16.019 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.841 -27.616 -14.895 1.00 0.00 H new ATOM 260 N CYS A 768 -0.081 -30.565 -13.757 1.00 0.00 N ATOM 261 CA CYS A 768 -0.512 -31.946 -13.994 1.00 0.00 C ATOM 262 C CYS A 768 -1.645 -31.932 -15.028 1.00 0.00 C ATOM 263 O CYS A 768 -2.709 -31.344 -14.801 1.00 0.00 O ATOM 264 CB CYS A 768 -0.933 -32.601 -12.663 1.00 0.00 C ATOM 265 SG CYS A 768 -1.253 -34.389 -12.907 1.00 0.00 S ATOM 0 H CYS A 768 -0.390 -30.190 -12.860 1.00 0.00 H new ATOM 0 HA CYS A 768 0.306 -32.546 -14.394 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.149 -32.463 -11.918 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.828 -32.114 -12.277 1.00 0.00 H new ATOM 270 N LYS A 769 -1.427 -32.564 -16.181 1.00 0.00 N ATOM 271 CA LYS A 769 -2.406 -32.654 -17.270 1.00 0.00 C ATOM 272 C LYS A 769 -3.529 -33.656 -16.950 1.00 0.00 C ATOM 273 O LYS A 769 -4.638 -33.526 -17.482 1.00 0.00 O ATOM 274 CB LYS A 769 -1.677 -33.034 -18.576 1.00 0.00 C ATOM 275 CG LYS A 769 -0.494 -32.121 -18.953 1.00 0.00 C ATOM 276 CD LYS A 769 -0.835 -30.629 -19.115 1.00 0.00 C ATOM 277 CE LYS A 769 -1.813 -30.410 -20.283 1.00 0.00 C ATOM 278 NZ LYS A 769 -2.070 -28.970 -20.525 1.00 0.00 N ATOM 0 H LYS A 769 -0.548 -33.038 -16.391 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.883 -31.681 -17.391 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.312 -34.057 -18.486 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.399 -33.024 -19.393 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.276 -32.219 -18.188 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.063 -32.481 -19.887 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.275 -30.251 -18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.078 -30.060 -19.289 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -1.406 -30.863 -21.187 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -2.754 -30.916 -20.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -2.733 -28.864 -21.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -2.482 -28.542 -19.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -1.176 -28.492 -20.755 1.00 0.00 H new ATOM 292 N THR A 770 -3.271 -34.632 -16.063 1.00 0.00 N ATOM 293 CA THR A 770 -4.233 -35.665 -15.642 1.00 0.00 C ATOM 294 C THR A 770 -5.266 -35.094 -14.672 1.00 0.00 C ATOM 295 O THR A 770 -6.458 -35.308 -14.896 1.00 0.00 O ATOM 296 CB THR A 770 -3.483 -36.864 -15.042 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.521 -37.323 -15.969 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.420 -38.035 -14.720 1.00 0.00 C ATOM 0 H THR A 770 -2.364 -34.727 -15.607 1.00 0.00 H new ATOM 0 HA THR A 770 -4.783 -36.013 -16.516 1.00 0.00 H new ATOM 0 HB THR A 770 -3.020 -36.523 -14.116 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.039 -38.087 -15.589 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.843 -38.858 -14.298 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.171 -37.712 -13.999 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.913 -38.368 -15.633 1.00 0.00 H new ATOM 306 N CYS A 771 -4.843 -34.335 -13.652 1.00 0.00 N ATOM 307 CA CYS A 771 -5.733 -33.756 -12.631 1.00 0.00 C ATOM 308 C CYS A 771 -6.155 -32.289 -12.919 1.00 0.00 C ATOM 309 O CYS A 771 -7.126 -31.801 -12.337 1.00 0.00 O ATOM 310 CB CYS A 771 -5.016 -33.821 -11.272 1.00 0.00 C ATOM 311 SG CYS A 771 -4.534 -35.518 -10.782 1.00 0.00 S ATOM 0 H CYS A 771 -3.860 -34.102 -13.509 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.652 -34.342 -12.637 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.124 -33.195 -11.310 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.668 -33.401 -10.506 1.00 0.00 H new ATOM 316 N LYS A 772 -5.435 -31.589 -13.800 1.00 0.00 N ATOM 317 CA LYS A 772 -5.696 -30.223 -14.293 1.00 0.00 C ATOM 318 C LYS A 772 -5.437 -29.108 -13.241 1.00 0.00 C ATOM 319 O LYS A 772 -6.091 -28.060 -13.271 1.00 0.00 O ATOM 320 CB LYS A 772 -7.070 -30.116 -14.984 1.00 0.00 C ATOM 321 CG LYS A 772 -7.297 -31.103 -16.144 1.00 0.00 C ATOM 322 CD LYS A 772 -8.309 -32.215 -15.803 1.00 0.00 C ATOM 323 CE LYS A 772 -8.605 -33.120 -17.009 1.00 0.00 C ATOM 324 NZ LYS A 772 -7.492 -34.058 -17.292 1.00 0.00 N ATOM 0 H LYS A 772 -4.594 -31.985 -14.220 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.947 -30.033 -15.062 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.848 -30.273 -14.237 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.191 -29.101 -15.362 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.650 -30.554 -17.017 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.345 -31.558 -16.418 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.920 -32.820 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -9.237 -31.764 -15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.517 -33.687 -16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -8.790 -32.502 -17.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.769 -34.705 -18.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -6.650 -33.520 -17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.275 -34.608 -16.436 1.00 0.00 H new ATOM 338 N TYR A 773 -4.483 -29.309 -12.316 1.00 0.00 N ATOM 339 CA TYR A 773 -4.014 -28.284 -11.358 1.00 0.00 C ATOM 340 C TYR A 773 -2.566 -27.825 -11.652 1.00 0.00 C ATOM 341 O TYR A 773 -1.779 -28.584 -12.227 1.00 0.00 O ATOM 342 CB TYR A 773 -4.146 -28.781 -9.903 1.00 0.00 C ATOM 343 CG TYR A 773 -3.115 -29.812 -9.454 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.852 -29.396 -8.977 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.427 -31.181 -9.481 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.888 -30.347 -8.578 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.484 -32.132 -9.047 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.200 -31.718 -8.619 1.00 0.00 C ATOM 349 OH TYR A 773 -0.259 -32.636 -8.256 1.00 0.00 O ATOM 0 H TYR A 773 -4.005 -30.204 -12.208 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.659 -27.415 -11.485 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -4.083 -27.919 -9.238 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.140 -29.210 -9.775 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.622 -28.342 -8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.394 -31.505 -9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.086 -30.023 -8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.741 -33.181 -9.041 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.547 -33.529 -8.539 1.00 0.00 H new ATOM 359 N THR A 774 -2.211 -26.621 -11.178 1.00 0.00 N ATOM 360 CA THR A 774 -0.856 -26.037 -11.239 1.00 0.00 C ATOM 361 C THR A 774 -0.326 -25.777 -9.833 1.00 0.00 C ATOM 362 O THR A 774 -1.036 -25.216 -8.998 1.00 0.00 O ATOM 363 CB THR A 774 -0.853 -24.731 -12.053 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.528 -24.928 -13.278 1.00 0.00 O ATOM 365 CG2 THR A 774 0.567 -24.249 -12.362 1.00 0.00 C ATOM 0 H THR A 774 -2.883 -26.002 -10.724 1.00 0.00 H new ATOM 0 HA THR A 774 -0.203 -26.753 -11.738 1.00 0.00 H new ATOM 0 HB THR A 774 -1.355 -23.976 -11.447 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.915 -25.330 -13.928 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.520 -23.325 -12.938 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.101 -24.069 -11.429 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.092 -25.010 -12.939 1.00 0.00 H new ATOM 373 N HIS A 775 0.922 -26.153 -9.566 1.00 0.00 N ATOM 374 CA HIS A 775 1.640 -25.967 -8.294 1.00 0.00 C ATOM 375 C HIS A 775 3.167 -26.088 -8.502 1.00 0.00 C ATOM 376 O HIS A 775 3.631 -26.283 -9.627 1.00 0.00 O ATOM 377 CB HIS A 775 1.100 -26.949 -7.224 1.00 0.00 C ATOM 378 CG HIS A 775 0.352 -26.270 -6.098 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.906 -25.659 -4.990 1.00 0.00 N ATOM 380 CD2 HIS A 775 -1.007 -26.141 -5.979 1.00 0.00 C ATOM 381 CE1 HIS A 775 -0.099 -25.192 -4.224 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.289 -25.465 -4.782 1.00 0.00 N ATOM 0 H HIS A 775 1.497 -26.622 -10.266 1.00 0.00 H new ATOM 0 HA HIS A 775 1.457 -24.958 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.438 -27.669 -7.705 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.935 -27.512 -6.806 1.00 0.00 H new ATOM 0 HD1 HIS A 775 1.902 -25.576 -4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.739 -26.500 -6.688 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.035 -24.669 -3.288 1.00 0.00 H new ATOM 390 N PHE A 776 3.975 -25.960 -7.442 1.00 0.00 N ATOM 391 CA PHE A 776 5.452 -25.986 -7.510 1.00 0.00 C ATOM 392 C PHE A 776 6.038 -27.383 -7.808 1.00 0.00 C ATOM 393 O PHE A 776 7.167 -27.488 -8.279 1.00 0.00 O ATOM 394 CB PHE A 776 6.078 -25.401 -6.218 1.00 0.00 C ATOM 395 CG PHE A 776 5.105 -24.898 -5.168 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.589 -23.589 -5.250 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.665 -25.754 -4.141 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.634 -23.143 -4.323 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.719 -25.302 -3.204 1.00 0.00 C ATOM 400 CZ PHE A 776 3.207 -23.996 -3.294 1.00 0.00 C ATOM 0 H PHE A 776 3.620 -25.833 -6.494 1.00 0.00 H new ATOM 0 HA PHE A 776 5.718 -25.356 -8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.705 -26.168 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.735 -24.577 -6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 776 4.930 -22.925 -6.031 1.00 0.00 H new ATOM 0 HD2 PHE A 776 5.054 -26.759 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.229 -22.145 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.385 -25.959 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.484 -23.649 -2.570 1.00 0.00 H new ATOM 410 N LYS A 777 5.287 -28.456 -7.528 1.00 0.00 N ATOM 411 CA LYS A 777 5.719 -29.864 -7.657 1.00 0.00 C ATOM 412 C LYS A 777 4.536 -30.861 -7.711 1.00 0.00 C ATOM 413 O LYS A 777 3.471 -30.550 -7.157 1.00 0.00 O ATOM 414 CB LYS A 777 6.685 -30.204 -6.505 1.00 0.00 C ATOM 415 CG LYS A 777 6.011 -30.147 -5.120 1.00 0.00 C ATOM 416 CD LYS A 777 7.045 -30.113 -3.993 1.00 0.00 C ATOM 417 CE LYS A 777 7.848 -31.421 -3.903 1.00 0.00 C ATOM 418 NZ LYS A 777 8.819 -31.390 -2.784 1.00 0.00 N ATOM 0 H LYS A 777 4.327 -28.370 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 777 6.232 -29.969 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.094 -31.202 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.524 -29.509 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.376 -29.263 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 777 5.363 -31.014 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.728 -29.279 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 777 6.540 -29.932 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 777 7.165 -32.260 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 777 8.378 -31.588 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 9.343 -32.288 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 9.486 -30.605 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 8.311 -31.255 -1.887 1.00 0.00 H new ATOM 432 N PRO A 778 4.701 -32.044 -8.344 1.00 0.00 N ATOM 433 CA PRO A 778 3.668 -33.073 -8.376 1.00 0.00 C ATOM 434 C PRO A 778 3.618 -33.825 -7.041 1.00 0.00 C ATOM 435 O PRO A 778 4.618 -33.924 -6.324 1.00 0.00 O ATOM 436 CB PRO A 778 4.058 -33.999 -9.536 1.00 0.00 C ATOM 437 CG PRO A 778 5.577 -33.916 -9.564 1.00 0.00 C ATOM 438 CD PRO A 778 5.878 -32.495 -9.083 1.00 0.00 C ATOM 0 HA PRO A 778 2.671 -32.657 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.715 -35.020 -9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.621 -33.668 -10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.030 -34.663 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.968 -34.089 -10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.763 -32.481 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.081 -31.836 -9.927 1.00 0.00 H new ATOM 446 N LYS A 779 2.452 -34.377 -6.710 1.00 0.00 N ATOM 447 CA LYS A 779 2.259 -35.203 -5.512 1.00 0.00 C ATOM 448 C LYS A 779 2.938 -36.580 -5.633 1.00 0.00 C ATOM 449 O LYS A 779 3.198 -37.090 -6.725 1.00 0.00 O ATOM 450 CB LYS A 779 0.756 -35.374 -5.237 1.00 0.00 C ATOM 451 CG LYS A 779 0.081 -34.064 -4.796 1.00 0.00 C ATOM 452 CD LYS A 779 -1.416 -34.245 -4.507 1.00 0.00 C ATOM 453 CE LYS A 779 -2.196 -34.600 -5.783 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.638 -34.805 -5.500 1.00 0.00 N ATOM 0 H LYS A 779 1.606 -34.265 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 779 2.732 -34.686 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.266 -35.745 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.616 -36.129 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.578 -33.686 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.210 -33.312 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.552 -35.032 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.818 -33.328 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.078 -33.802 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.779 -35.504 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.135 -35.043 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.751 -35.583 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.041 -33.933 -5.100 1.00 0.00 H new ATOM 468 N GLU A 780 3.156 -37.238 -4.492 1.00 0.00 N ATOM 469 CA GLU A 780 3.670 -38.610 -4.432 1.00 0.00 C ATOM 470 C GLU A 780 2.772 -39.587 -5.211 1.00 0.00 C ATOM 471 O GLU A 780 3.283 -40.436 -5.941 1.00 0.00 O ATOM 472 CB GLU A 780 3.827 -39.085 -2.972 1.00 0.00 C ATOM 473 CG GLU A 780 4.729 -38.193 -2.104 1.00 0.00 C ATOM 474 CD GLU A 780 3.921 -37.158 -1.305 1.00 0.00 C ATOM 475 OE1 GLU A 780 3.366 -36.212 -1.912 1.00 0.00 O ATOM 476 OE2 GLU A 780 3.838 -37.284 -0.058 1.00 0.00 O ATOM 0 H GLU A 780 2.979 -36.830 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 780 4.653 -38.602 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.840 -39.138 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.232 -40.097 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 780 5.300 -38.816 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 780 5.449 -37.678 -2.740 1.00 0.00 H new ATOM 483 N THR A 781 1.444 -39.417 -5.131 1.00 0.00 N ATOM 484 CA THR A 781 0.455 -40.178 -5.914 1.00 0.00 C ATOM 485 C THR A 781 0.545 -39.869 -7.402 1.00 0.00 C ATOM 486 O THR A 781 0.479 -40.800 -8.207 1.00 0.00 O ATOM 487 CB THR A 781 -0.963 -39.894 -5.402 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.126 -38.508 -5.175 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.221 -40.643 -4.094 1.00 0.00 C ATOM 0 H THR A 781 1.017 -38.732 -4.507 1.00 0.00 H new ATOM 0 HA THR A 781 0.682 -41.236 -5.783 1.00 0.00 H new ATOM 0 HB THR A 781 -1.672 -40.232 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.034 -38.334 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.232 -40.430 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.114 -41.715 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.502 -40.319 -3.341 1.00 0.00 H new ATOM 497 N CYS A 782 0.769 -38.610 -7.787 1.00 0.00 N ATOM 498 CA CYS A 782 0.948 -38.203 -9.182 1.00 0.00 C ATOM 499 C CYS A 782 2.216 -38.824 -9.797 1.00 0.00 C ATOM 500 O CYS A 782 2.189 -39.261 -10.950 1.00 0.00 O ATOM 501 CB CYS A 782 0.983 -36.665 -9.263 1.00 0.00 C ATOM 502 SG CYS A 782 -0.662 -35.972 -8.921 1.00 0.00 S ATOM 0 H CYS A 782 0.832 -37.834 -7.128 1.00 0.00 H new ATOM 0 HA CYS A 782 0.105 -38.572 -9.766 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.705 -36.274 -8.546 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.316 -36.355 -10.253 1.00 0.00 H new ATOM 507 N VAL A 783 3.307 -38.902 -9.031 1.00 0.00 N ATOM 508 CA VAL A 783 4.561 -39.553 -9.461 1.00 0.00 C ATOM 509 C VAL A 783 4.422 -41.087 -9.476 1.00 0.00 C ATOM 510 O VAL A 783 4.879 -41.729 -10.420 1.00 0.00 O ATOM 511 CB VAL A 783 5.756 -39.099 -8.592 1.00 0.00 C ATOM 512 CG1 VAL A 783 7.062 -39.828 -8.966 1.00 0.00 C ATOM 513 CG2 VAL A 783 6.003 -37.585 -8.760 1.00 0.00 C ATOM 0 H VAL A 783 3.352 -38.515 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 783 4.763 -39.236 -10.484 1.00 0.00 H new ATOM 0 HB VAL A 783 5.492 -39.341 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.872 -39.474 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.932 -40.901 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.307 -39.624 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.848 -37.283 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.222 -37.366 -9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.113 -37.035 -8.453 1.00 0.00 H new ATOM 523 N SER A 784 3.774 -41.686 -8.471 1.00 0.00 N ATOM 524 CA SER A 784 3.632 -43.139 -8.329 1.00 0.00 C ATOM 525 C SER A 784 2.634 -43.768 -9.321 1.00 0.00 C ATOM 526 O SER A 784 2.909 -44.841 -9.869 1.00 0.00 O ATOM 527 CB SER A 784 3.186 -43.461 -6.900 1.00 0.00 C ATOM 528 OG SER A 784 4.181 -43.143 -5.935 1.00 0.00 O ATOM 0 H SER A 784 3.325 -41.164 -7.719 1.00 0.00 H new ATOM 0 HA SER A 784 4.608 -43.570 -8.552 1.00 0.00 H new ATOM 0 HB2 SER A 784 2.275 -42.907 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.941 -44.521 -6.829 1.00 0.00 H new ATOM 0 HG SER A 784 4.126 -42.191 -5.710 1.00 0.00 H new ATOM 534 N GLU A 785 1.503 -43.104 -9.602 1.00 0.00 N ATOM 535 CA GLU A 785 0.591 -43.472 -10.696 1.00 0.00 C ATOM 536 C GLU A 785 1.126 -43.019 -12.069 1.00 0.00 C ATOM 537 O GLU A 785 0.670 -43.506 -13.109 1.00 0.00 O ATOM 538 CB GLU A 785 -0.801 -42.850 -10.470 1.00 0.00 C ATOM 539 CG GLU A 785 -1.528 -43.395 -9.236 1.00 0.00 C ATOM 540 CD GLU A 785 -2.926 -42.773 -9.043 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.498 -42.180 -9.993 1.00 0.00 O ATOM 542 OE2 GLU A 785 -3.490 -42.908 -7.929 1.00 0.00 O ATOM 0 H GLU A 785 1.193 -42.290 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 785 0.518 -44.560 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.694 -41.770 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.416 -43.029 -11.352 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.626 -44.477 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -0.924 -43.202 -8.349 1.00 0.00 H new ATOM 549 N ASN A 786 2.084 -42.092 -12.082 1.00 0.00 N ATOM 550 CA ASN A 786 2.840 -41.633 -13.249 1.00 0.00 C ATOM 551 C ASN A 786 1.977 -40.792 -14.214 1.00 0.00 C ATOM 552 O ASN A 786 1.928 -41.040 -15.423 1.00 0.00 O ATOM 553 CB ASN A 786 3.602 -42.812 -13.894 1.00 0.00 C ATOM 554 CG ASN A 786 4.968 -42.369 -14.395 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.217 -42.240 -15.589 1.00 0.00 O ATOM 556 ND2 ASN A 786 5.888 -42.111 -13.475 1.00 0.00 N ATOM 0 H ASN A 786 2.370 -41.613 -11.228 1.00 0.00 H new ATOM 0 HA ASN A 786 3.608 -40.931 -12.925 1.00 0.00 H new ATOM 0 HB2 ASN A 786 3.720 -43.615 -13.166 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.020 -43.216 -14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 786 6.818 -41.801 -13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 786 5.666 -42.223 -12.486 1.00 0.00 H new ATOM 563 N HIS A 787 1.270 -39.804 -13.648 1.00 0.00 N ATOM 564 CA HIS A 787 0.466 -38.802 -14.364 1.00 0.00 C ATOM 565 C HIS A 787 1.330 -38.023 -15.371 1.00 0.00 C ATOM 566 O HIS A 787 2.547 -37.920 -15.215 1.00 0.00 O ATOM 567 CB HIS A 787 -0.198 -37.843 -13.351 1.00 0.00 C ATOM 568 CG HIS A 787 -1.278 -38.441 -12.465 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.065 -37.746 -11.544 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.635 -39.767 -12.403 1.00 0.00 C ATOM 571 CE1 HIS A 787 -2.863 -38.660 -10.952 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.621 -39.879 -11.448 1.00 0.00 N ATOM 0 H HIS A 787 1.241 -39.675 -12.637 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.315 -39.315 -14.926 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.581 -37.430 -12.710 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.631 -37.009 -13.903 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.220 -40.571 -12.993 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.593 -38.439 -10.187 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.086 -40.742 -11.167 1.00 0.00 H new ATOM 580 N ASP A 788 0.700 -37.464 -16.405 1.00 0.00 N ATOM 581 CA ASP A 788 1.363 -36.570 -17.360 1.00 0.00 C ATOM 582 C ASP A 788 1.439 -35.152 -16.781 1.00 0.00 C ATOM 583 O ASP A 788 0.450 -34.656 -16.243 1.00 0.00 O ATOM 584 CB ASP A 788 0.610 -36.577 -18.705 1.00 0.00 C ATOM 585 CG ASP A 788 0.747 -37.912 -19.448 1.00 0.00 C ATOM 586 OD1 ASP A 788 1.865 -38.220 -19.927 1.00 0.00 O ATOM 587 OD2 ASP A 788 -0.266 -38.642 -19.578 1.00 0.00 O ATOM 0 H ASP A 788 -0.288 -37.618 -16.606 1.00 0.00 H new ATOM 0 HA ASP A 788 2.378 -36.924 -17.538 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.445 -36.370 -18.528 1.00 0.00 H new ATOM 0 HB3 ASP A 788 0.991 -35.773 -19.335 1.00 0.00 H new ATOM 592 N PHE A 789 2.587 -34.479 -16.924 1.00 0.00 N ATOM 593 CA PHE A 789 2.770 -33.087 -16.492 1.00 0.00 C ATOM 594 C PHE A 789 3.596 -32.261 -17.484 1.00 0.00 C ATOM 595 O PHE A 789 4.468 -32.782 -18.183 1.00 0.00 O ATOM 596 CB PHE A 789 3.363 -32.976 -15.073 1.00 0.00 C ATOM 597 CG PHE A 789 3.761 -34.233 -14.326 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.077 -34.729 -14.423 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.846 -34.855 -13.458 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.472 -35.839 -13.654 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.249 -35.955 -12.681 1.00 0.00 C ATOM 602 CZ PHE A 789 4.560 -36.451 -12.777 1.00 0.00 C ATOM 0 H PHE A 789 3.421 -34.887 -17.346 1.00 0.00 H new ATOM 0 HA PHE A 789 1.766 -32.664 -16.465 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.247 -32.342 -15.138 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.636 -32.447 -14.457 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.783 -34.256 -15.089 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.833 -34.487 -13.388 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.478 -36.222 -13.738 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.547 -36.422 -12.006 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.865 -37.298 -12.180 1.00 0.00 H new ATOM 612 N HIS A 790 3.342 -30.954 -17.504 1.00 0.00 N ATOM 613 CA HIS A 790 4.157 -29.948 -18.189 1.00 0.00 C ATOM 614 C HIS A 790 4.804 -29.006 -17.151 1.00 0.00 C ATOM 615 O HIS A 790 4.103 -28.406 -16.331 1.00 0.00 O ATOM 616 CB HIS A 790 3.279 -29.153 -19.171 1.00 0.00 C ATOM 617 CG HIS A 790 2.967 -29.849 -20.473 1.00 0.00 C ATOM 618 ND1 HIS A 790 3.087 -29.300 -21.731 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.490 -31.124 -20.644 1.00 0.00 C ATOM 620 CE1 HIS A 790 2.696 -30.218 -22.631 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.317 -31.352 -22.018 1.00 0.00 N ATOM 0 H HIS A 790 2.535 -30.550 -17.028 1.00 0.00 H new ATOM 0 HA HIS A 790 4.950 -30.441 -18.751 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.339 -28.909 -18.675 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.777 -28.209 -19.394 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.283 -31.832 -19.855 1.00 0.00 H new ATOM 0 HE1 HIS A 790 2.688 -30.065 -23.700 1.00 0.00 H new ATOM 0 HE2 HIS A 790 1.974 -32.204 -22.461 1.00 0.00 H new ATOM 629 N TRP A 791 6.131 -28.849 -17.200 1.00 0.00 N ATOM 630 CA TRP A 791 6.886 -27.935 -16.329 1.00 0.00 C ATOM 631 C TRP A 791 7.135 -26.564 -16.991 1.00 0.00 C ATOM 632 O TRP A 791 7.270 -26.460 -18.212 1.00 0.00 O ATOM 633 CB TRP A 791 8.198 -28.609 -15.903 1.00 0.00 C ATOM 634 CG TRP A 791 8.056 -29.731 -14.913 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.754 -31.021 -15.204 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.244 -29.694 -13.461 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.750 -31.774 -14.043 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.059 -31.010 -12.939 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.545 -28.679 -12.523 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.172 -31.300 -11.571 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.655 -28.953 -11.149 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.479 -30.261 -10.670 1.00 0.00 C ATOM 0 H TRP A 791 6.722 -29.360 -17.855 1.00 0.00 H new ATOM 0 HA TRP A 791 6.286 -27.730 -15.442 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.695 -28.994 -16.794 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.854 -27.851 -15.475 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.548 -31.403 -16.193 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.544 -32.772 -14.009 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.694 -27.668 -12.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.025 -32.308 -11.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.876 -28.153 -10.458 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.579 -30.470 -9.615 1.00 0.00 H new ATOM 653 N HIS A 792 7.212 -25.514 -16.175 1.00 0.00 N ATOM 654 CA HIS A 792 7.371 -24.106 -16.565 1.00 0.00 C ATOM 655 C HIS A 792 7.806 -23.256 -15.350 1.00 0.00 C ATOM 656 O HIS A 792 8.126 -23.812 -14.298 1.00 0.00 O ATOM 657 CB HIS A 792 6.062 -23.604 -17.220 1.00 0.00 C ATOM 658 CG HIS A 792 4.830 -23.637 -16.338 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.145 -22.541 -15.856 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.114 -24.747 -15.977 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.044 -22.984 -15.226 1.00 0.00 C ATOM 662 NE2 HIS A 792 2.981 -24.329 -15.264 1.00 0.00 N ATOM 0 H HIS A 792 7.163 -25.626 -15.162 1.00 0.00 H new ATOM 0 HA HIS A 792 8.164 -24.007 -17.306 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.217 -22.579 -17.558 1.00 0.00 H new ATOM 0 HB3 HIS A 792 5.867 -24.207 -18.107 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.425 -21.566 -15.960 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.377 -25.770 -16.203 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.310 -22.348 -14.754 1.00 0.00 H new ATOM 670 N ASN A 793 7.822 -21.922 -15.460 1.00 0.00 N ATOM 671 CA ASN A 793 8.162 -21.004 -14.357 1.00 0.00 C ATOM 672 C ASN A 793 6.955 -20.196 -13.842 1.00 0.00 C ATOM 673 O ASN A 793 6.008 -19.920 -14.586 1.00 0.00 O ATOM 674 CB ASN A 793 9.317 -20.081 -14.778 1.00 0.00 C ATOM 675 CG ASN A 793 10.647 -20.825 -14.831 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.190 -21.095 -15.896 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.203 -21.175 -13.685 1.00 0.00 N ATOM 0 H ASN A 793 7.596 -21.439 -16.330 1.00 0.00 H new ATOM 0 HA ASN A 793 8.483 -21.618 -13.516 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.101 -19.652 -15.757 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.393 -19.251 -14.076 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.092 -21.675 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.743 -20.946 -12.804 1.00 0.00 H new ATOM 684 N GLY A 794 7.008 -19.814 -12.562 1.00 0.00 N ATOM 685 CA GLY A 794 5.996 -19.016 -11.857 1.00 0.00 C ATOM 686 C GLY A 794 6.559 -18.303 -10.625 1.00 0.00 C ATOM 687 O GLY A 794 7.773 -18.274 -10.420 1.00 0.00 O ATOM 0 H GLY A 794 7.793 -20.063 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.581 -18.276 -12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.175 -19.665 -11.553 1.00 0.00 H new ATOM 691 N VAL A 795 5.675 -17.734 -9.800 1.00 0.00 N ATOM 692 CA VAL A 795 6.002 -17.055 -8.527 1.00 0.00 C ATOM 693 C VAL A 795 5.033 -17.523 -7.437 1.00 0.00 C ATOM 694 O VAL A 795 3.829 -17.641 -7.672 1.00 0.00 O ATOM 695 CB VAL A 795 5.939 -15.512 -8.657 1.00 0.00 C ATOM 696 CG1 VAL A 795 6.191 -14.805 -7.310 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.965 -14.986 -9.676 1.00 0.00 C ATOM 0 H VAL A 795 4.675 -17.729 -10.000 1.00 0.00 H new ATOM 0 HA VAL A 795 7.025 -17.319 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 795 4.929 -15.286 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 795 6.137 -13.725 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.435 -15.116 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 795 7.179 -15.074 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.891 -13.900 -9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 795 7.970 -15.263 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.762 -15.422 -10.654 1.00 0.00 H new ATOM 707 N LYS A 796 5.560 -17.776 -6.237 1.00 0.00 N ATOM 708 CA LYS A 796 4.804 -18.270 -5.073 1.00 0.00 C ATOM 709 C LYS A 796 4.621 -17.208 -3.963 1.00 0.00 C ATOM 710 O LYS A 796 5.509 -16.384 -3.722 1.00 0.00 O ATOM 711 CB LYS A 796 5.492 -19.553 -4.569 1.00 0.00 C ATOM 712 CG LYS A 796 6.822 -19.300 -3.834 1.00 0.00 C ATOM 713 CD LYS A 796 7.807 -20.463 -4.003 1.00 0.00 C ATOM 714 CE LYS A 796 7.261 -21.772 -3.409 1.00 0.00 C ATOM 715 NZ LYS A 796 8.241 -22.883 -3.548 1.00 0.00 N ATOM 0 H LYS A 796 6.551 -17.641 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 796 3.784 -18.499 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.812 -20.079 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.677 -20.212 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.276 -18.384 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.625 -19.144 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.020 -20.607 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.751 -20.212 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.024 -21.624 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.331 -22.041 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.842 -23.751 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.448 -23.039 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.119 -22.636 -3.049 1.00 0.00 H new ATOM 729 N ARG A 797 3.459 -17.233 -3.306 1.00 0.00 N ATOM 730 CA ARG A 797 3.038 -16.329 -2.220 1.00 0.00 C ATOM 731 C ARG A 797 2.780 -17.142 -0.939 1.00 0.00 C ATOM 732 O ARG A 797 2.394 -18.315 -1.007 1.00 0.00 O ATOM 733 CB ARG A 797 1.781 -15.497 -2.582 1.00 0.00 C ATOM 734 CG ARG A 797 1.275 -15.549 -4.034 1.00 0.00 C ATOM 735 CD ARG A 797 2.162 -14.815 -5.045 1.00 0.00 C ATOM 736 NE ARG A 797 1.859 -15.257 -6.417 1.00 0.00 N ATOM 737 CZ ARG A 797 2.191 -14.649 -7.546 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.877 -13.527 -7.570 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.813 -15.200 -8.680 1.00 0.00 N ATOM 0 H ARG A 797 2.741 -17.923 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 797 3.850 -15.620 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.968 -15.821 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.988 -14.455 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.188 -16.592 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.273 -15.121 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 797 2.006 -13.740 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.212 -15.003 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 797 1.336 -16.128 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 797 3.174 -13.092 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 797 3.112 -13.092 -8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 797 1.280 -16.070 -8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 797 2.053 -14.757 -9.567 1.00 0.00 H new ATOM 753 N PHE A 798 2.974 -16.511 0.215 1.00 0.00 N ATOM 754 CA PHE A 798 2.956 -17.145 1.542 1.00 0.00 C ATOM 755 C PHE A 798 1.727 -16.716 2.359 1.00 0.00 C ATOM 756 O PHE A 798 1.358 -15.538 2.344 1.00 0.00 O ATOM 757 CB PHE A 798 4.271 -16.782 2.254 1.00 0.00 C ATOM 758 CG PHE A 798 5.534 -17.098 1.464 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.760 -18.409 1.009 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.498 -16.100 1.198 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.932 -18.729 0.299 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.688 -16.435 0.532 1.00 0.00 C ATOM 763 CZ PHE A 798 7.907 -17.742 0.071 1.00 0.00 C ATOM 0 H PHE A 798 3.155 -15.508 0.260 1.00 0.00 H new ATOM 0 HA PHE A 798 2.879 -18.227 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.261 -15.717 2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.312 -17.314 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.027 -19.178 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 798 6.320 -15.080 1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.083 -19.733 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 798 8.442 -15.679 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.818 -17.988 -0.455 1.00 0.00 H new ATOM 773 N PHE A 799 1.105 -17.653 3.089 1.00 0.00 N ATOM 774 CA PHE A 799 -0.153 -17.420 3.818 1.00 0.00 C ATOM 775 C PHE A 799 -0.127 -17.971 5.249 1.00 0.00 C ATOM 776 O PHE A 799 0.550 -18.958 5.544 1.00 0.00 O ATOM 777 CB PHE A 799 -1.340 -18.023 3.057 1.00 0.00 C ATOM 778 CG PHE A 799 -1.487 -17.512 1.639 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.795 -18.144 0.585 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.299 -16.396 1.378 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.881 -17.626 -0.716 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.399 -15.891 0.073 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.672 -16.496 -0.968 1.00 0.00 C ATOM 0 H PHE A 799 1.463 -18.603 3.192 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.268 -16.338 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.229 -19.107 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.257 -17.809 3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.200 -19.024 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -2.846 -15.927 2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.339 -18.097 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.032 -15.040 -0.132 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.723 -16.088 -1.967 1.00 0.00 H new ATOM 793 N LYS A 800 -0.909 -17.337 6.128 1.00 0.00 N ATOM 794 CA LYS A 800 -1.105 -17.712 7.532 1.00 0.00 C ATOM 795 C LYS A 800 -2.592 -17.671 7.931 1.00 0.00 C ATOM 796 O LYS A 800 -3.340 -16.778 7.529 1.00 0.00 O ATOM 797 CB LYS A 800 -0.246 -16.771 8.395 1.00 0.00 C ATOM 798 CG LYS A 800 -0.327 -17.076 9.901 1.00 0.00 C ATOM 799 CD LYS A 800 0.694 -16.241 10.690 1.00 0.00 C ATOM 800 CE LYS A 800 0.593 -16.572 12.184 1.00 0.00 C ATOM 801 NZ LYS A 800 1.541 -15.760 12.993 1.00 0.00 N ATOM 0 H LYS A 800 -1.447 -16.510 5.868 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.789 -18.743 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.793 -16.843 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.563 -15.742 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.333 -16.865 10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.143 -18.137 10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.702 -16.447 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.510 -15.179 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.425 -16.393 12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.799 -17.631 12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.444 -16.011 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.515 -15.950 12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.328 -14.750 12.867 1.00 0.00 H new ATOM 815 N CYS A 801 -3.016 -18.630 8.746 1.00 0.00 N ATOM 816 CA CYS A 801 -4.337 -18.708 9.380 1.00 0.00 C ATOM 817 C CYS A 801 -4.278 -18.136 10.822 1.00 0.00 C ATOM 818 O CYS A 801 -3.235 -18.296 11.473 1.00 0.00 O ATOM 819 CB CYS A 801 -4.718 -20.196 9.383 1.00 0.00 C ATOM 820 SG CYS A 801 -6.420 -20.459 9.979 1.00 0.00 S ATOM 0 H CYS A 801 -2.420 -19.418 8.999 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.080 -18.119 8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.620 -20.598 8.375 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.022 -20.748 10.015 1.00 0.00 H new ATOM 825 N PRO A 802 -5.350 -17.516 11.365 1.00 0.00 N ATOM 826 CA PRO A 802 -5.355 -16.949 12.724 1.00 0.00 C ATOM 827 C PRO A 802 -5.054 -17.931 13.877 1.00 0.00 C ATOM 828 O PRO A 802 -4.663 -17.472 14.951 1.00 0.00 O ATOM 829 CB PRO A 802 -6.730 -16.280 12.890 1.00 0.00 C ATOM 830 CG PRO A 802 -7.592 -16.876 11.782 1.00 0.00 C ATOM 831 CD PRO A 802 -6.575 -17.127 10.680 1.00 0.00 C ATOM 0 HA PRO A 802 -4.524 -16.249 12.806 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.153 -16.485 13.873 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.657 -15.197 12.794 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.083 -17.796 12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.376 -16.189 11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.914 -17.912 10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.421 -16.232 10.077 1.00 0.00 H new ATOM 839 N CYS A 803 -5.182 -19.256 13.685 1.00 0.00 N ATOM 840 CA CYS A 803 -4.776 -20.262 14.682 1.00 0.00 C ATOM 841 C CYS A 803 -3.250 -20.524 14.741 1.00 0.00 C ATOM 842 O CYS A 803 -2.766 -21.161 15.683 1.00 0.00 O ATOM 843 CB CYS A 803 -5.559 -21.564 14.430 1.00 0.00 C ATOM 844 SG CYS A 803 -5.001 -22.389 12.896 1.00 0.00 S ATOM 0 H CYS A 803 -5.571 -19.660 12.833 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.022 -19.856 15.663 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.429 -22.239 15.276 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.624 -21.343 14.360 1.00 0.00 H new ATOM 849 N GLY A 804 -2.492 -20.028 13.749 1.00 0.00 N ATOM 850 CA GLY A 804 -1.044 -20.220 13.578 1.00 0.00 C ATOM 851 C GLY A 804 -0.650 -21.165 12.436 1.00 0.00 C ATOM 852 O GLY A 804 0.535 -21.210 12.094 1.00 0.00 O ATOM 0 H GLY A 804 -2.894 -19.454 13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.581 -19.249 13.403 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.631 -20.607 14.510 1.00 0.00 H new ATOM 856 N ASN A 805 -1.591 -21.887 11.821 1.00 0.00 N ATOM 857 CA ASN A 805 -1.334 -22.757 10.662 1.00 0.00 C ATOM 858 C ASN A 805 -0.857 -21.954 9.428 1.00 0.00 C ATOM 859 O ASN A 805 -1.144 -20.761 9.299 1.00 0.00 O ATOM 860 CB ASN A 805 -2.591 -23.598 10.371 1.00 0.00 C ATOM 861 CG ASN A 805 -2.358 -24.790 9.442 1.00 0.00 C ATOM 862 OD1 ASN A 805 -1.234 -25.218 9.201 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.418 -25.358 8.897 1.00 0.00 N ATOM 0 H ASN A 805 -2.567 -21.886 12.116 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.514 -23.434 10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.994 -23.963 11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.350 -22.952 9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -3.304 -26.156 8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -4.351 -24.998 9.101 1.00 0.00 H new ATOM 870 N ARG A 806 -0.125 -22.601 8.512 1.00 0.00 N ATOM 871 CA ARG A 806 0.534 -21.977 7.346 1.00 0.00 C ATOM 872 C ARG A 806 0.219 -22.730 6.038 1.00 0.00 C ATOM 873 O ARG A 806 -0.055 -23.934 6.057 1.00 0.00 O ATOM 874 CB ARG A 806 2.058 -21.965 7.571 1.00 0.00 C ATOM 875 CG ARG A 806 2.545 -21.142 8.782 1.00 0.00 C ATOM 876 CD ARG A 806 2.189 -19.652 8.717 1.00 0.00 C ATOM 877 NE ARG A 806 2.684 -19.002 7.493 1.00 0.00 N ATOM 878 CZ ARG A 806 3.916 -18.567 7.250 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.876 -18.617 8.148 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.198 -18.078 6.063 1.00 0.00 N ATOM 0 H ARG A 806 0.033 -23.608 8.559 1.00 0.00 H new ATOM 0 HA ARG A 806 0.152 -20.961 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.398 -22.994 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.537 -21.575 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.117 -21.566 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.627 -21.242 8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.106 -19.539 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.606 -19.145 9.587 1.00 0.00 H new ATOM 0 HE ARG A 806 2.003 -18.870 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.689 -19.001 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.808 -18.272 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.476 -18.036 5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.139 -17.740 5.861 1.00 0.00 H new ATOM 894 N THR A 807 0.324 -22.027 4.901 1.00 0.00 N ATOM 895 CA THR A 807 0.283 -22.598 3.539 1.00 0.00 C ATOM 896 C THR A 807 0.934 -21.674 2.511 1.00 0.00 C ATOM 897 O THR A 807 1.345 -20.558 2.824 1.00 0.00 O ATOM 898 CB THR A 807 -1.142 -23.042 3.162 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.049 -23.945 2.078 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.070 -21.897 2.761 1.00 0.00 C ATOM 0 H THR A 807 0.444 -21.014 4.899 1.00 0.00 H new ATOM 0 HA THR A 807 0.891 -23.503 3.534 1.00 0.00 H new ATOM 0 HB THR A 807 -1.578 -23.495 4.052 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.947 -24.242 1.822 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.053 -22.296 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.163 -21.196 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.657 -21.380 1.895 1.00 0.00 H new ATOM 908 N ILE A 808 1.063 -22.161 1.280 1.00 0.00 N ATOM 909 CA ILE A 808 1.748 -21.527 0.145 1.00 0.00 C ATOM 910 C ILE A 808 0.914 -21.775 -1.123 1.00 0.00 C ATOM 911 O ILE A 808 0.324 -22.844 -1.288 1.00 0.00 O ATOM 912 CB ILE A 808 3.190 -22.095 0.000 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.969 -22.095 1.343 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.978 -21.318 -1.078 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.435 -22.548 1.253 1.00 0.00 C ATOM 0 H ILE A 808 0.668 -23.067 1.027 1.00 0.00 H new ATOM 0 HA ILE A 808 1.840 -20.453 0.308 1.00 0.00 H new ATOM 0 HB ILE A 808 3.088 -23.134 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.942 -21.088 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.448 -22.745 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.983 -21.731 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.467 -21.407 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.041 -20.267 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.888 -22.512 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.478 -23.568 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.980 -21.886 0.580 1.00 0.00 H new ATOM 927 N SER A 809 0.878 -20.823 -2.051 1.00 0.00 N ATOM 928 CA SER A 809 0.207 -20.980 -3.353 1.00 0.00 C ATOM 929 C SER A 809 0.909 -20.172 -4.452 1.00 0.00 C ATOM 930 O SER A 809 1.669 -19.243 -4.169 1.00 0.00 O ATOM 931 CB SER A 809 -1.272 -20.573 -3.242 1.00 0.00 C ATOM 932 OG SER A 809 -1.979 -20.859 -4.444 1.00 0.00 O ATOM 0 H SER A 809 1.315 -19.910 -1.927 1.00 0.00 H new ATOM 0 HA SER A 809 0.264 -22.032 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.736 -21.103 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.343 -19.508 -3.021 1.00 0.00 H new ATOM 0 HG SER A 809 -2.916 -20.591 -4.344 1.00 0.00 H new ATOM 938 N LEU A 810 0.643 -20.498 -5.724 1.00 0.00 N ATOM 939 CA LEU A 810 1.012 -19.656 -6.868 1.00 0.00 C ATOM 940 C LEU A 810 -0.001 -18.516 -7.097 1.00 0.00 C ATOM 941 O LEU A 810 0.340 -17.510 -7.715 1.00 0.00 O ATOM 942 CB LEU A 810 1.154 -20.552 -8.116 1.00 0.00 C ATOM 943 CG LEU A 810 2.275 -21.612 -8.035 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.271 -22.468 -9.304 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.662 -20.981 -7.859 1.00 0.00 C ATOM 0 H LEU A 810 0.163 -21.358 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 810 1.966 -19.171 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.206 -21.061 -8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.338 -19.916 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 810 2.074 -22.228 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.063 -23.214 -9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.308 -22.969 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.439 -21.832 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.415 -21.767 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.875 -20.329 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.682 -20.398 -6.938 1.00 0.00 H new ATOM 957 N ASP A 811 -1.228 -18.644 -6.592 1.00 0.00 N ATOM 958 CA ASP A 811 -2.288 -17.629 -6.690 1.00 0.00 C ATOM 959 C ASP A 811 -2.236 -16.638 -5.509 1.00 0.00 C ATOM 960 O ASP A 811 -1.631 -16.907 -4.471 1.00 0.00 O ATOM 961 CB ASP A 811 -3.649 -18.343 -6.749 1.00 0.00 C ATOM 962 CG ASP A 811 -4.792 -17.411 -7.173 1.00 0.00 C ATOM 963 OD1 ASP A 811 -5.033 -17.272 -8.394 1.00 0.00 O ATOM 964 OD2 ASP A 811 -5.418 -16.789 -6.282 1.00 0.00 O ATOM 0 H ASP A 811 -1.525 -19.480 -6.088 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.139 -17.044 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.587 -19.176 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -3.875 -18.766 -5.770 1.00 0.00 H new ATOM 969 N ARG A 812 -2.922 -15.504 -5.665 1.00 0.00 N ATOM 970 CA ARG A 812 -3.085 -14.465 -4.638 1.00 0.00 C ATOM 971 C ARG A 812 -3.850 -14.917 -3.378 1.00 0.00 C ATOM 972 O ARG A 812 -3.838 -14.187 -2.385 1.00 0.00 O ATOM 973 CB ARG A 812 -3.684 -13.190 -5.263 1.00 0.00 C ATOM 974 CG ARG A 812 -5.042 -13.303 -5.994 1.00 0.00 C ATOM 975 CD ARG A 812 -6.237 -13.670 -5.100 1.00 0.00 C ATOM 976 NE ARG A 812 -7.521 -13.393 -5.763 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.224 -14.213 -6.541 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.815 -15.422 -6.860 1.00 0.00 N ATOM 979 NH2 ARG A 812 -9.381 -13.816 -7.026 1.00 0.00 N ATOM 0 H ARG A 812 -3.396 -15.273 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.085 -14.242 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -3.793 -12.450 -4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -2.957 -12.793 -5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.253 -12.352 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -4.952 -14.053 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.184 -14.727 -4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.180 -13.107 -4.168 1.00 0.00 H new ATOM 0 HE ARG A 812 -7.918 -12.466 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -6.923 -15.768 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -8.390 -16.013 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -9.734 -12.885 -6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -9.925 -14.439 -7.623 1.00 0.00 H new ATOM 993 N LEU A 813 -4.491 -16.093 -3.393 1.00 0.00 N ATOM 994 CA LEU A 813 -5.171 -16.730 -2.257 1.00 0.00 C ATOM 995 C LEU A 813 -5.261 -18.261 -2.488 1.00 0.00 C ATOM 996 O LEU A 813 -5.604 -18.666 -3.607 1.00 0.00 O ATOM 997 CB LEU A 813 -6.567 -16.081 -2.082 1.00 0.00 C ATOM 998 CG LEU A 813 -7.249 -16.371 -0.724 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.585 -15.598 0.429 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.727 -15.965 -0.813 1.00 0.00 C ATOM 0 H LEU A 813 -4.553 -16.655 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.607 -16.577 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.468 -15.002 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.219 -16.431 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.148 -17.436 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.095 -15.831 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.537 -15.888 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.652 -14.527 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.217 -16.165 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.799 -14.902 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.215 -16.539 -1.600 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.964 -19.119 -1.486 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.010 -20.575 -1.629 1.00 0.00 C ATOM 1014 C PRO A 814 -6.448 -21.090 -1.771 1.00 0.00 C ATOM 1015 O PRO A 814 -7.408 -20.445 -1.352 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.318 -21.148 -0.383 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.580 -20.070 0.664 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.486 -18.785 -0.152 1.00 0.00 C ATOM 0 HA PRO A 814 -4.502 -20.894 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.740 -22.109 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.252 -21.304 -0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.560 -20.185 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.842 -20.096 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.092 -17.995 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.460 -18.419 -0.186 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.590 -22.277 -2.366 1.00 0.00 N ATOM 1027 CA LYS A 815 -7.891 -22.901 -2.669 1.00 0.00 C ATOM 1028 C LYS A 815 -8.476 -23.773 -1.536 1.00 0.00 C ATOM 1029 O LYS A 815 -9.655 -24.125 -1.566 1.00 0.00 O ATOM 1030 CB LYS A 815 -7.765 -23.689 -3.992 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.099 -25.083 -3.942 1.00 0.00 C ATOM 1032 CD LYS A 815 -5.609 -25.088 -3.557 1.00 0.00 C ATOM 1033 CE LYS A 815 -5.042 -26.509 -3.688 1.00 0.00 C ATOM 1034 NZ LYS A 815 -3.609 -26.573 -3.306 1.00 0.00 N ATOM 0 H LYS A 815 -5.794 -22.845 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.616 -22.094 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -8.766 -23.811 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.203 -23.075 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -7.643 -25.702 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.206 -25.554 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -5.055 -24.405 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -5.487 -24.731 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -5.616 -27.188 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -5.159 -26.853 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -3.310 -27.567 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -3.036 -26.083 -4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -3.475 -26.114 -2.383 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.644 -24.168 -0.565 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.937 -25.194 0.450 1.00 0.00 C ATOM 1050 C LYS A 816 -8.304 -24.607 1.829 1.00 0.00 C ATOM 1051 O LYS A 816 -7.841 -23.528 2.202 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.752 -26.183 0.487 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.372 -25.613 0.884 1.00 0.00 C ATOM 1054 CD LYS A 816 -5.059 -25.640 2.387 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.845 -27.079 2.883 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.792 -27.148 4.365 1.00 0.00 N ATOM 0 H LYS A 816 -6.712 -23.768 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.840 -25.735 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -7.001 -26.983 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.659 -26.637 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.600 -26.175 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.309 -24.582 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.166 -25.047 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.878 -25.180 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.653 -27.713 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.918 -27.473 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -4.562 -28.119 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -4.061 -26.497 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -5.716 -26.876 4.758 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.121 -25.309 2.609 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.446 -24.956 4.000 1.00 0.00 C ATOM 1072 C HIS A 817 -8.346 -25.428 4.981 1.00 0.00 C ATOM 1073 O HIS A 817 -7.506 -26.274 4.650 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.830 -25.527 4.358 1.00 0.00 C ATOM 1075 CG HIS A 817 -12.003 -24.802 3.731 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.119 -24.338 2.440 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -13.178 -24.504 4.366 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.332 -23.777 2.298 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -14.022 -23.851 3.450 1.00 0.00 N ATOM 0 H HIS A 817 -9.589 -26.158 2.291 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.485 -23.871 4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.864 -26.573 4.054 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.946 -25.506 5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -13.416 -24.731 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.701 -23.330 1.387 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.965 -23.504 3.624 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.338 -24.879 6.198 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.349 -25.167 7.233 1.00 0.00 C ATOM 1089 C CYS A 818 -7.350 -26.643 7.675 1.00 0.00 C ATOM 1090 O CYS A 818 -8.392 -27.269 7.875 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.606 -24.211 8.397 1.00 0.00 C ATOM 1092 SG CYS A 818 -6.341 -24.396 9.690 1.00 0.00 S ATOM 0 H CYS A 818 -9.041 -24.203 6.497 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.348 -25.007 6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.611 -23.184 8.033 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.592 -24.404 8.819 1.00 0.00 H new ATOM 1097 N SER A 819 -6.153 -27.194 7.849 1.00 0.00 N ATOM 1098 CA SER A 819 -5.898 -28.550 8.350 1.00 0.00 C ATOM 1099 C SER A 819 -5.855 -28.637 9.889 1.00 0.00 C ATOM 1100 O SER A 819 -5.857 -29.746 10.438 1.00 0.00 O ATOM 1101 CB SER A 819 -4.589 -29.073 7.727 1.00 0.00 C ATOM 1102 OG SER A 819 -3.568 -28.075 7.673 1.00 0.00 O ATOM 0 H SER A 819 -5.293 -26.689 7.637 1.00 0.00 H new ATOM 0 HA SER A 819 -6.736 -29.179 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 819 -4.230 -29.924 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 819 -4.790 -29.436 6.719 1.00 0.00 H new ATOM 0 HG SER A 819 -2.759 -28.456 7.272 1.00 0.00 H new ATOM 1108 N THR A 820 -5.839 -27.489 10.590 1.00 0.00 N ATOM 1109 CA THR A 820 -5.751 -27.404 12.065 1.00 0.00 C ATOM 1110 C THR A 820 -7.091 -27.062 12.717 1.00 0.00 C ATOM 1111 O THR A 820 -7.412 -27.675 13.738 1.00 0.00 O ATOM 1112 CB THR A 820 -4.671 -26.386 12.459 1.00 0.00 C ATOM 1113 OG1 THR A 820 -3.431 -26.825 11.943 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.500 -26.211 13.969 1.00 0.00 C ATOM 0 H THR A 820 -5.888 -26.574 10.141 1.00 0.00 H new ATOM 0 HA THR A 820 -5.474 -28.390 12.438 1.00 0.00 H new ATOM 0 HB THR A 820 -4.990 -25.427 12.051 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.731 -26.184 12.185 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.719 -25.476 14.164 1.00 0.00 H new ATOM 0 HG22 THR A 820 -5.439 -25.868 14.404 1.00 0.00 H new ATOM 0 HG23 THR A 820 -4.220 -27.165 14.416 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.881 -26.141 12.143 1.00 0.00 N ATOM 1123 CA CYS A 821 -9.172 -25.694 12.707 1.00 0.00 C ATOM 1124 C CYS A 821 -10.387 -25.796 11.756 1.00 0.00 C ATOM 1125 O CYS A 821 -11.532 -25.786 12.220 1.00 0.00 O ATOM 1126 CB CYS A 821 -9.012 -24.291 13.316 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.793 -22.963 12.084 1.00 0.00 S ATOM 0 H CYS A 821 -7.642 -25.679 11.266 1.00 0.00 H new ATOM 0 HA CYS A 821 -9.423 -26.406 13.493 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.890 -24.068 13.922 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -8.153 -24.294 13.987 1.00 0.00 H new ATOM 1132 N GLY A 822 -10.167 -25.984 10.451 1.00 0.00 N ATOM 1133 CA GLY A 822 -11.180 -26.425 9.475 1.00 0.00 C ATOM 1134 C GLY A 822 -11.888 -25.320 8.678 1.00 0.00 C ATOM 1135 O GLY A 822 -12.624 -25.644 7.743 1.00 0.00 O ATOM 0 H GLY A 822 -9.252 -25.830 10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.701 -27.102 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.937 -27.002 10.006 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.697 -24.044 9.036 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.297 -22.883 8.359 1.00 0.00 C ATOM 1141 C LEU A 823 -11.444 -22.348 7.185 1.00 0.00 C ATOM 1142 O LEU A 823 -10.451 -22.963 6.786 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.691 -21.825 9.420 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.602 -21.339 10.402 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.349 -20.780 9.713 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.200 -20.258 11.314 1.00 0.00 C ATOM 0 H LEU A 823 -11.106 -23.782 9.825 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.213 -23.195 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -13.078 -20.953 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.513 -22.233 10.009 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.280 -22.212 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.631 -20.460 10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.900 -21.554 9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.625 -19.929 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.439 -19.908 12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.548 -19.422 10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -13.038 -20.675 11.872 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.824 -21.187 6.637 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.128 -20.484 5.556 1.00 0.00 C ATOM 1160 C PHE A 824 -10.967 -18.989 5.917 1.00 0.00 C ATOM 1161 O PHE A 824 -11.872 -18.186 5.694 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.906 -20.718 4.246 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.209 -20.218 2.997 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.256 -21.027 2.355 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.507 -18.949 2.467 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.609 -20.580 1.192 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.863 -18.497 1.302 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.907 -19.311 0.667 1.00 0.00 C ATOM 0 H PHE A 824 -12.660 -20.693 6.949 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.118 -20.871 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.095 -21.786 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.877 -20.229 4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.019 -22.000 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.234 -18.319 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.883 -21.211 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.102 -17.526 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.403 -18.961 -0.222 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.812 -18.635 6.493 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.468 -17.279 6.976 1.00 0.00 C ATOM 1180 C LYS A 825 -7.996 -16.901 6.670 1.00 0.00 C ATOM 1181 O LYS A 825 -7.347 -16.176 7.429 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.796 -17.164 8.491 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.292 -17.198 8.855 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.069 -15.974 8.348 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.531 -16.051 8.811 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.314 -14.878 8.350 1.00 0.00 N ATOM 0 H LYS A 825 -9.058 -19.306 6.644 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.078 -16.558 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.295 -17.978 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.371 -16.233 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.739 -18.101 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.394 -17.261 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.608 -15.060 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.025 -15.931 7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.986 -16.965 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.566 -16.107 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.296 -14.964 8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.894 -14.008 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.301 -14.839 7.311 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.440 -17.419 5.567 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.055 -17.175 5.151 1.00 0.00 C ATOM 1202 C TRP A 826 -5.750 -15.684 4.928 1.00 0.00 C ATOM 1203 O TRP A 826 -6.461 -14.986 4.201 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.747 -17.972 3.876 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.822 -19.457 4.025 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.756 -20.247 3.457 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.941 -20.354 4.770 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.492 -21.569 3.764 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.405 -21.693 4.606 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.794 -20.166 5.574 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.774 -22.791 5.207 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.155 -21.261 6.191 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.644 -22.569 6.015 1.00 0.00 C ATOM 0 H TRP A 826 -7.950 -18.030 4.929 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.413 -17.509 5.966 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.444 -17.665 3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.747 -17.707 3.532 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.583 -19.900 2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -7.035 -22.357 3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.402 -19.170 5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.149 -23.792 5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.282 -21.094 6.805 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.153 -23.400 6.499 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.653 -15.215 5.521 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.060 -13.895 5.315 1.00 0.00 C ATOM 1226 C GLU A 827 -2.761 -14.051 4.518 1.00 0.00 C ATOM 1227 O GLU A 827 -1.931 -14.895 4.859 1.00 0.00 O ATOM 1228 CB GLU A 827 -3.777 -13.272 6.686 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.346 -11.806 6.597 1.00 0.00 C ATOM 1230 CD GLU A 827 -3.208 -11.189 7.997 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.230 -10.731 8.565 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -2.076 -11.138 8.541 1.00 0.00 O ATOM 0 H GLU A 827 -4.127 -15.774 6.192 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.738 -13.248 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -4.672 -13.345 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -2.996 -13.845 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.396 -11.734 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.077 -11.242 6.017 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.568 -13.236 3.479 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.313 -13.220 2.719 1.00 0.00 C ATOM 1241 C ARG A 828 -0.231 -12.486 3.531 1.00 0.00 C ATOM 1242 O ARG A 828 -0.417 -11.331 3.923 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.548 -12.601 1.329 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.389 -12.896 0.362 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.766 -12.616 -1.100 1.00 0.00 C ATOM 1246 NE ARG A 828 -1.123 -11.199 -1.315 1.00 0.00 N ATOM 1247 CZ ARG A 828 -2.330 -10.682 -1.527 1.00 0.00 C ATOM 1248 NH1 ARG A 828 -3.416 -11.418 -1.654 1.00 0.00 N ATOM 1249 NH2 ARG A 828 -2.466 -9.380 -1.622 1.00 0.00 N ATOM 0 H ARG A 828 -3.268 -12.575 3.142 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.956 -14.236 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.476 -12.990 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.671 -11.523 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.473 -12.288 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.089 -13.939 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.069 -12.882 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.606 -13.249 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 828 -0.349 -10.535 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -3.354 -12.434 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -4.319 -10.971 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 828 -1.650 -8.774 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -3.387 -8.974 -1.785 1.00 0.00 H new ATOM 1263 N VAL A 829 0.882 -13.167 3.805 1.00 0.00 N ATOM 1264 CA VAL A 829 1.973 -12.720 4.698 1.00 0.00 C ATOM 1265 C VAL A 829 3.323 -12.677 3.970 1.00 0.00 C ATOM 1266 O VAL A 829 3.475 -13.229 2.880 1.00 0.00 O ATOM 1267 CB VAL A 829 2.100 -13.600 5.974 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.855 -13.462 6.860 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.354 -15.086 5.670 1.00 0.00 C ATOM 0 H VAL A 829 1.064 -14.084 3.398 1.00 0.00 H new ATOM 0 HA VAL A 829 1.704 -11.710 5.008 1.00 0.00 H new ATOM 0 HB VAL A 829 2.976 -13.226 6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.968 -14.087 7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.737 -12.421 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.026 -13.780 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.432 -15.641 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.528 -15.483 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.283 -15.189 5.109 1.00 0.00 H new ATOM 1279 N GLY A 830 4.312 -12.023 4.586 1.00 0.00 N ATOM 1280 CA GLY A 830 5.640 -11.843 4.010 1.00 0.00 C ATOM 1281 C GLY A 830 6.636 -12.936 4.388 1.00 0.00 C ATOM 1282 O GLY A 830 6.778 -13.282 5.564 1.00 0.00 O ATOM 0 H GLY A 830 4.208 -11.601 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.552 -11.807 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.036 -10.879 4.330 1.00 0.00 H new ATOM 1286 N MET A 831 7.386 -13.393 3.384 1.00 0.00 N ATOM 1287 CA MET A 831 8.657 -14.127 3.491 1.00 0.00 C ATOM 1288 C MET A 831 9.478 -13.932 2.203 1.00 0.00 C ATOM 1289 O MET A 831 8.964 -13.452 1.192 1.00 0.00 O ATOM 1290 CB MET A 831 8.461 -15.583 3.986 1.00 0.00 C ATOM 1291 CG MET A 831 9.741 -16.418 4.108 1.00 0.00 C ATOM 1292 SD MET A 831 11.037 -15.708 5.161 1.00 0.00 S ATOM 1293 CE MET A 831 12.359 -16.898 4.816 1.00 0.00 C ATOM 0 H MET A 831 7.109 -13.254 2.412 1.00 0.00 H new ATOM 0 HA MET A 831 9.272 -13.704 4.285 1.00 0.00 H new ATOM 0 HB2 MET A 831 7.973 -15.554 4.960 1.00 0.00 H new ATOM 0 HB3 MET A 831 7.780 -16.092 3.303 1.00 0.00 H new ATOM 0 HG2 MET A 831 9.477 -17.401 4.498 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.151 -16.571 3.110 1.00 0.00 H new ATOM 0 HE1 MET A 831 13.251 -16.625 5.381 1.00 0.00 H new ATOM 0 HE2 MET A 831 12.035 -17.897 5.109 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.588 -16.889 3.750 1.00 0.00 H new ATOM 1303 N LEU A 832 10.788 -14.162 2.286 1.00 0.00 N ATOM 1304 CA LEU A 832 11.793 -13.615 1.378 1.00 0.00 C ATOM 1305 C LEU A 832 12.651 -14.696 0.711 1.00 0.00 C ATOM 1306 O LEU A 832 12.752 -15.829 1.188 1.00 0.00 O ATOM 1307 CB LEU A 832 12.691 -12.666 2.197 1.00 0.00 C ATOM 1308 CG LEU A 832 12.351 -11.159 2.181 1.00 0.00 C ATOM 1309 CD1 LEU A 832 12.465 -10.570 0.765 1.00 0.00 C ATOM 1310 CD2 LEU A 832 10.971 -10.856 2.778 1.00 0.00 C ATOM 0 H LEU A 832 11.191 -14.754 3.012 1.00 0.00 H new ATOM 0 HA LEU A 832 11.282 -13.092 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 832 12.675 -13.002 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 832 13.714 -12.782 1.840 1.00 0.00 H new ATOM 0 HG LEU A 832 13.092 -10.676 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 832 12.219 -9.508 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 832 13.484 -10.697 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 832 11.773 -11.086 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 832 10.786 -9.782 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 832 10.204 -11.377 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 832 10.941 -11.193 3.814 1.00 0.00 H new ATOM 1322 N LYS A 833 13.329 -14.306 -0.368 1.00 0.00 N ATOM 1323 CA LYS A 833 14.458 -15.044 -0.935 1.00 0.00 C ATOM 1324 C LYS A 833 15.706 -14.990 -0.022 1.00 0.00 C ATOM 1325 O LYS A 833 15.916 -14.026 0.721 1.00 0.00 O ATOM 1326 CB LYS A 833 14.748 -14.522 -2.353 1.00 0.00 C ATOM 1327 CG LYS A 833 15.073 -13.015 -2.413 1.00 0.00 C ATOM 1328 CD LYS A 833 15.463 -12.543 -3.817 1.00 0.00 C ATOM 1329 CE LYS A 833 14.332 -12.757 -4.838 1.00 0.00 C ATOM 1330 NZ LYS A 833 14.699 -12.217 -6.178 1.00 0.00 N ATOM 0 H LYS A 833 13.105 -13.454 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 833 14.190 -16.098 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 833 15.586 -15.081 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 833 13.884 -14.722 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 833 14.206 -12.448 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 833 15.888 -12.797 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 833 15.724 -11.485 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 833 16.353 -13.081 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 833 14.111 -13.821 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 833 13.423 -12.270 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 13.916 -12.377 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 14.886 -11.197 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 15.552 -12.700 -6.525 1.00 0.00 H new ATOM 1344 N GLU A 834 16.543 -16.020 -0.110 1.00 0.00 N ATOM 1345 CA GLU A 834 17.821 -16.180 0.596 1.00 0.00 C ATOM 1346 C GLU A 834 18.855 -16.865 -0.310 1.00 0.00 C ATOM 1347 O GLU A 834 18.502 -17.553 -1.276 1.00 0.00 O ATOM 1348 CB GLU A 834 17.646 -17.012 1.883 1.00 0.00 C ATOM 1349 CG GLU A 834 16.780 -16.322 2.946 1.00 0.00 C ATOM 1350 CD GLU A 834 16.831 -17.109 4.262 1.00 0.00 C ATOM 1351 OE1 GLU A 834 16.161 -18.164 4.370 1.00 0.00 O ATOM 1352 OE2 GLU A 834 17.547 -16.679 5.198 1.00 0.00 O ATOM 0 H GLU A 834 16.339 -16.817 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 834 18.174 -15.184 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 834 17.197 -17.972 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 834 18.628 -17.222 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 834 17.133 -15.304 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 834 15.750 -16.250 2.596 1.00 0.00 H new ATOM 1359 N LYS A 835 20.146 -16.714 0.001 1.00 0.00 N ATOM 1360 CA LYS A 835 21.255 -17.357 -0.712 1.00 0.00 C ATOM 1361 C LYS A 835 21.199 -18.899 -0.631 1.00 0.00 C ATOM 1362 O LYS A 835 20.822 -19.464 0.405 1.00 0.00 O ATOM 1363 CB LYS A 835 22.583 -16.816 -0.149 1.00 0.00 C ATOM 1364 CG LYS A 835 22.765 -15.313 -0.413 1.00 0.00 C ATOM 1365 CD LYS A 835 24.026 -14.809 0.291 1.00 0.00 C ATOM 1366 CE LYS A 835 24.281 -13.340 -0.054 1.00 0.00 C ATOM 1367 NZ LYS A 835 25.524 -12.833 0.584 1.00 0.00 N ATOM 0 H LYS A 835 20.457 -16.127 0.775 1.00 0.00 H new ATOM 0 HA LYS A 835 21.173 -17.113 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 835 22.621 -17.000 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 835 23.413 -17.363 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 835 22.839 -15.130 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 835 21.894 -14.764 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 835 23.917 -14.922 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 835 24.883 -15.413 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 835 24.355 -13.228 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 835 23.433 -12.737 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 25.664 -11.835 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 25.443 -12.917 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 26.337 -13.392 0.254 1.00 0.00 H new ATOM 1381 N THR A 836 21.601 -19.571 -1.719 1.00 0.00 N ATOM 1382 CA THR A 836 21.621 -21.043 -1.876 1.00 0.00 C ATOM 1383 C THR A 836 23.015 -21.557 -2.232 1.00 0.00 C ATOM 1384 O THR A 836 23.893 -20.795 -2.654 1.00 0.00 O ATOM 1385 CB THR A 836 20.608 -21.481 -2.953 1.00 0.00 C ATOM 1386 OG1 THR A 836 20.818 -20.746 -4.142 1.00 0.00 O ATOM 1387 CG2 THR A 836 19.174 -21.267 -2.479 1.00 0.00 C ATOM 0 H THR A 836 21.937 -19.088 -2.553 1.00 0.00 H new ATOM 0 HA THR A 836 21.340 -21.477 -0.917 1.00 0.00 H new ATOM 0 HB THR A 836 20.759 -22.544 -3.142 1.00 0.00 H new ATOM 0 HG1 THR A 836 20.172 -21.031 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 836 18.482 -21.585 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 836 18.998 -21.853 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 836 19.016 -20.210 -2.262 1.00 0.00 H new ATOM 1395 N GLY A 837 23.224 -22.867 -2.062 1.00 0.00 N ATOM 1396 CA GLY A 837 24.447 -23.581 -2.451 1.00 0.00 C ATOM 1397 C GLY A 837 24.411 -24.100 -3.904 1.00 0.00 C ATOM 1398 O GLY A 837 23.512 -23.713 -4.668 1.00 0.00 O ATOM 0 H GLY A 837 22.527 -23.479 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 837 25.302 -22.916 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 837 24.600 -24.422 -1.775 1.00 0.00 H new ATOM 1402 N PRO A 838 25.377 -24.961 -4.290 1.00 0.00 N ATOM 1403 CA PRO A 838 25.471 -25.555 -5.628 1.00 0.00 C ATOM 1404 C PRO A 838 24.200 -26.309 -6.039 1.00 0.00 C ATOM 1405 O PRO A 838 23.513 -26.909 -5.212 1.00 0.00 O ATOM 1406 CB PRO A 838 26.686 -26.490 -5.591 1.00 0.00 C ATOM 1407 CG PRO A 838 27.558 -25.888 -4.496 1.00 0.00 C ATOM 1408 CD PRO A 838 26.527 -25.372 -3.494 1.00 0.00 C ATOM 0 HA PRO A 838 25.584 -24.773 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 838 26.398 -27.515 -5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 838 27.204 -26.515 -6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 838 28.220 -26.631 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 838 28.190 -25.086 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 838 26.252 -26.148 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 838 26.924 -24.536 -2.919 1.00 0.00 H new ATOM 1416 N LYS A 839 23.894 -26.285 -7.337 1.00 0.00 N ATOM 1417 CA LYS A 839 22.690 -26.901 -7.912 1.00 0.00 C ATOM 1418 C LYS A 839 22.915 -28.390 -8.265 1.00 0.00 C ATOM 1419 O LYS A 839 23.272 -28.735 -9.396 1.00 0.00 O ATOM 1420 CB LYS A 839 22.227 -26.062 -9.121 1.00 0.00 C ATOM 1421 CG LYS A 839 21.772 -24.649 -8.718 1.00 0.00 C ATOM 1422 CD LYS A 839 21.268 -23.871 -9.944 1.00 0.00 C ATOM 1423 CE LYS A 839 20.887 -22.426 -9.598 1.00 0.00 C ATOM 1424 NZ LYS A 839 19.664 -22.345 -8.759 1.00 0.00 N ATOM 0 H LYS A 839 24.484 -25.830 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 839 21.893 -26.901 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 839 23.043 -25.986 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 839 21.406 -26.575 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 839 20.980 -24.715 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 839 22.601 -24.113 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 839 22.041 -23.867 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 839 20.402 -24.382 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 839 21.716 -21.951 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 839 20.730 -21.865 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 19.450 -21.348 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 18.865 -22.773 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 19.820 -22.857 -7.867 1.00 0.00 H new ATOM 1438 N LEU A 840 22.712 -29.278 -7.287 1.00 0.00 N ATOM 1439 CA LEU A 840 22.809 -30.745 -7.444 1.00 0.00 C ATOM 1440 C LEU A 840 21.589 -31.333 -8.185 1.00 0.00 C ATOM 1441 O LEU A 840 21.711 -32.360 -8.858 1.00 0.00 O ATOM 1442 CB LEU A 840 22.982 -31.405 -6.056 1.00 0.00 C ATOM 1443 CG LEU A 840 24.433 -31.469 -5.544 1.00 0.00 C ATOM 1444 CD1 LEU A 840 25.054 -30.085 -5.305 1.00 0.00 C ATOM 1445 CD2 LEU A 840 24.467 -32.275 -4.234 1.00 0.00 C ATOM 0 H LEU A 840 22.469 -28.996 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 840 23.683 -30.962 -8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 840 22.380 -30.856 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 840 22.583 -32.418 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 840 25.027 -31.951 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 840 26.076 -30.202 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 840 25.060 -29.523 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 840 24.467 -29.546 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 840 25.491 -32.325 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 840 23.836 -31.788 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 840 24.098 -33.284 -4.418 1.00 0.00 H new ATOM 1457 N GLY A 841 20.417 -30.695 -8.063 1.00 0.00 N ATOM 1458 CA GLY A 841 19.174 -31.073 -8.754 1.00 0.00 C ATOM 1459 C GLY A 841 19.042 -30.462 -10.156 1.00 0.00 C ATOM 1460 O GLY A 841 19.926 -29.742 -10.629 1.00 0.00 O ATOM 0 H GLY A 841 20.303 -29.878 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 841 19.128 -32.159 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 841 18.322 -30.762 -8.149 1.00 0.00 H new ATOM 1464 N GLY A 842 17.919 -30.754 -10.821 1.00 0.00 N ATOM 1465 CA GLY A 842 17.585 -30.284 -12.179 1.00 0.00 C ATOM 1466 C GLY A 842 16.167 -30.626 -12.630 1.00 0.00 C ATOM 1467 O GLY A 842 15.877 -30.451 -13.833 1.00 0.00 O ATOM 1468 OXT GLY A 842 15.322 -31.020 -11.796 1.00 0.00 O ATOM 0 H GLY A 842 17.190 -31.344 -10.419 1.00 0.00 H new ATOM 0 HA2 GLY A 842 17.716 -29.203 -12.219 1.00 0.00 H new ATOM 0 HA3 GLY A 842 18.293 -30.717 -12.885 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.080 -35.612 -10.913 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.636 -22.494 11.140 1.00 0.00 ZN