USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 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 767 THR OG1 : rot 180:sc= 0.544 USER MOD Set 1.2: A 774 THR OG1 : rot -82:sc= 0.585 USER MOD Set 1.3: A 792 HIS : no HD1:sc= -0.144 X(o=0.98,f=1) USER MOD Set 2.1: A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 831 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 GLY N :NH3+ -106:sc= 0.0774 (180deg=0) USER MOD Single : A 755 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 756 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.1) USER MOD Single : A 757 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 763 CYS SG : rot 180:sc= -0.0378 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ 166:sc= 1.07 (180deg=0.91) USER MOD Single : A 773 TYR OH : rot -169:sc= 1 USER MOD Single : A 775 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 777 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.15) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 784 SER OG : rot 82:sc= 0.887 USER MOD Single : A 786 ASN : amide:sc= -0.0129 X(o=-0.013,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= -0.0453 K(o=-0.045,f=-3.2!) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 805 ASN : amide:sc= 1.49 K(o=1.5,f=-2.2) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 809 SER OG : rot 180:sc= 0.131 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 816 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 HIS : no HE2:sc= 0.889 K(o=0.89,f=-2.7!) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ -119:sc= 0.0694 (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 20.758 4.075 7.272 1.00 0.00 N ATOM 2 CA GLY A -4 20.318 2.859 6.555 1.00 0.00 C ATOM 3 C GLY A -4 20.092 3.115 5.063 1.00 0.00 C ATOM 4 O GLY A -4 19.976 4.279 4.650 1.00 0.00 O ATOM 0 H1 GLY A -4 21.770 3.998 7.497 1.00 0.00 H new ATOM 0 H2 GLY A -4 20.599 4.909 6.671 1.00 0.00 H new ATOM 0 H3 GLY A -4 20.214 4.174 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A -4 21.067 2.076 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A -4 19.395 2.490 7.002 1.00 0.00 H new ATOM 10 N PRO A -3 20.041 2.047 4.237 1.00 0.00 N ATOM 11 CA PRO A -3 19.850 2.136 2.788 1.00 0.00 C ATOM 12 C PRO A -3 18.402 2.502 2.421 1.00 0.00 C ATOM 13 O PRO A -3 17.473 2.296 3.204 1.00 0.00 O ATOM 14 CB PRO A -3 20.247 0.757 2.248 1.00 0.00 C ATOM 15 CG PRO A -3 19.891 -0.190 3.395 1.00 0.00 C ATOM 16 CD PRO A -3 20.200 0.650 4.637 1.00 0.00 C ATOM 0 HA PRO A -3 20.456 2.929 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A -3 19.700 0.509 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A -3 21.308 0.711 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A -3 18.844 -0.491 3.361 1.00 0.00 H new ATOM 0 HG3 PRO A -3 20.486 -1.103 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A -3 19.523 0.400 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A -3 21.213 0.460 4.993 1.00 0.00 H new ATOM 24 N MET A -2 18.209 3.016 1.202 1.00 0.00 N ATOM 25 CA MET A -2 16.885 3.331 0.630 1.00 0.00 C ATOM 26 C MET A -2 16.120 2.079 0.149 1.00 0.00 C ATOM 27 O MET A -2 16.690 0.989 0.014 1.00 0.00 O ATOM 28 CB MET A -2 17.024 4.382 -0.487 1.00 0.00 C ATOM 29 CG MET A -2 17.768 3.878 -1.731 1.00 0.00 C ATOM 30 SD MET A -2 17.962 5.138 -3.022 1.00 0.00 S ATOM 31 CE MET A -2 18.832 4.133 -4.258 1.00 0.00 C ATOM 0 H MET A -2 18.980 3.231 0.569 1.00 0.00 H new ATOM 0 HA MET A -2 16.278 3.753 1.431 1.00 0.00 H new ATOM 0 HB2 MET A -2 16.030 4.717 -0.782 1.00 0.00 H new ATOM 0 HB3 MET A -2 17.548 5.251 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A -2 18.754 3.519 -1.434 1.00 0.00 H new ATOM 0 HG3 MET A -2 17.230 3.025 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A -2 19.042 4.740 -5.138 1.00 0.00 H new ATOM 0 HE2 MET A -2 19.769 3.768 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A -2 18.208 3.286 -4.542 1.00 0.00 H new ATOM 41 N GLY A -1 14.828 2.242 -0.152 1.00 0.00 N ATOM 42 CA GLY A -1 13.942 1.172 -0.645 1.00 0.00 C ATOM 43 C GLY A -1 13.217 0.438 0.494 1.00 0.00 C ATOM 44 O GLY A -1 12.824 1.062 1.480 1.00 0.00 O ATOM 0 H GLY A -1 14.354 3.140 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A -1 13.205 1.599 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.528 0.455 -1.220 1.00 0.00 H new ATOM 48 N MET A 755 12.976 -0.877 0.401 1.00 0.00 N ATOM 49 CA MET A 755 13.389 -1.799 -0.677 1.00 0.00 C ATOM 50 C MET A 755 12.651 -1.557 -2.005 1.00 0.00 C ATOM 51 O MET A 755 11.488 -1.144 -2.015 1.00 0.00 O ATOM 52 CB MET A 755 13.182 -3.253 -0.219 1.00 0.00 C ATOM 53 CG MET A 755 14.089 -3.618 0.962 1.00 0.00 C ATOM 54 SD MET A 755 13.918 -5.330 1.530 1.00 0.00 S ATOM 55 CE MET A 755 15.150 -5.306 2.855 1.00 0.00 C ATOM 0 H MET A 755 12.450 -1.363 1.127 1.00 0.00 H new ATOM 0 HA MET A 755 14.444 -1.606 -0.871 1.00 0.00 H new ATOM 0 HB2 MET A 755 12.140 -3.398 0.066 1.00 0.00 H new ATOM 0 HB3 MET A 755 13.382 -3.927 -1.052 1.00 0.00 H new ATOM 0 HG2 MET A 755 15.126 -3.444 0.676 1.00 0.00 H new ATOM 0 HG3 MET A 755 13.871 -2.948 1.794 1.00 0.00 H new ATOM 0 HE1 MET A 755 15.191 -6.286 3.331 1.00 0.00 H new ATOM 0 HE2 MET A 755 16.128 -5.063 2.438 1.00 0.00 H new ATOM 0 HE3 MET A 755 14.874 -4.555 3.595 1.00 0.00 H new ATOM 65 N GLN A 756 13.324 -1.838 -3.126 1.00 0.00 N ATOM 66 CA GLN A 756 12.785 -1.655 -4.483 1.00 0.00 C ATOM 67 C GLN A 756 12.064 -2.915 -5.014 1.00 0.00 C ATOM 68 O GLN A 756 11.285 -2.837 -5.969 1.00 0.00 O ATOM 69 CB GLN A 756 13.942 -1.268 -5.430 1.00 0.00 C ATOM 70 CG GLN A 756 14.680 0.028 -5.043 1.00 0.00 C ATOM 71 CD GLN A 756 13.765 1.260 -5.025 1.00 0.00 C ATOM 72 OE1 GLN A 756 13.329 1.720 -3.978 1.00 0.00 O ATOM 73 NE2 GLN A 756 13.414 1.818 -6.168 1.00 0.00 N ATOM 0 H GLN A 756 14.275 -2.206 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 756 12.038 -0.862 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 756 14.662 -2.086 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 756 13.547 -1.158 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 756 15.130 -0.097 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 756 15.495 0.199 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 756 13.770 1.445 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 756 12.787 2.622 -6.171 1.00 0.00 H new ATOM 82 N SER A 757 12.310 -4.083 -4.414 1.00 0.00 N ATOM 83 CA SER A 757 11.723 -5.379 -4.800 1.00 0.00 C ATOM 84 C SER A 757 10.418 -5.705 -4.040 1.00 0.00 C ATOM 85 O SER A 757 10.126 -5.135 -2.980 1.00 0.00 O ATOM 86 CB SER A 757 12.768 -6.491 -4.585 1.00 0.00 C ATOM 87 OG SER A 757 13.304 -6.474 -3.262 1.00 0.00 O ATOM 0 H SER A 757 12.944 -4.160 -3.619 1.00 0.00 H new ATOM 0 HA SER A 757 11.450 -5.316 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 757 12.310 -7.461 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.577 -6.372 -5.305 1.00 0.00 H new ATOM 0 HG SER A 757 13.961 -7.195 -3.166 1.00 0.00 H new ATOM 93 N ILE A 758 9.623 -6.643 -4.574 1.00 0.00 N ATOM 94 CA ILE A 758 8.372 -7.140 -3.963 1.00 0.00 C ATOM 95 C ILE A 758 8.652 -8.489 -3.259 1.00 0.00 C ATOM 96 O ILE A 758 9.481 -9.277 -3.717 1.00 0.00 O ATOM 97 CB ILE A 758 7.234 -7.247 -5.021 1.00 0.00 C ATOM 98 CG1 ILE A 758 6.938 -5.918 -5.773 1.00 0.00 C ATOM 99 CG2 ILE A 758 5.905 -7.660 -4.352 1.00 0.00 C ATOM 100 CD1 ILE A 758 7.872 -5.587 -6.948 1.00 0.00 C ATOM 0 H ILE A 758 9.833 -7.091 -5.466 1.00 0.00 H new ATOM 0 HA ILE A 758 8.023 -6.430 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 758 7.596 -7.989 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.915 -5.955 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.985 -5.099 -5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 758 5.123 -7.729 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 758 6.027 -8.628 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 758 5.625 -6.914 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.571 -4.640 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.897 -5.508 -6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.810 -6.378 -7.696 1.00 0.00 H new ATOM 112 N ARG A 759 7.949 -8.757 -2.155 1.00 0.00 N ATOM 113 CA ARG A 759 8.113 -9.875 -1.199 1.00 0.00 C ATOM 114 C ARG A 759 7.923 -11.320 -1.733 1.00 0.00 C ATOM 115 O ARG A 759 7.820 -12.255 -0.933 1.00 0.00 O ATOM 116 CB ARG A 759 7.187 -9.587 -0.001 1.00 0.00 C ATOM 117 CG ARG A 759 5.689 -9.694 -0.348 1.00 0.00 C ATOM 118 CD ARG A 759 4.809 -8.883 0.609 1.00 0.00 C ATOM 119 NE ARG A 759 3.371 -9.151 0.394 1.00 0.00 N ATOM 120 CZ ARG A 759 2.604 -8.668 -0.582 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.081 -7.885 -1.528 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.324 -8.957 -0.614 1.00 0.00 N ATOM 0 H ARG A 759 7.180 -8.148 -1.875 1.00 0.00 H new ATOM 0 HA ARG A 759 9.169 -9.889 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.417 -10.286 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.395 -8.586 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.529 -9.345 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.386 -10.740 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.074 -9.124 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.005 -7.820 0.470 1.00 0.00 H new ATOM 0 HE ARG A 759 2.918 -9.772 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 759 4.069 -7.630 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.463 -7.534 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 759 0.917 -9.551 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 759 0.736 -8.587 -1.361 1.00 0.00 H new ATOM 136 N GLU A 760 7.875 -11.528 -3.048 1.00 0.00 N ATOM 137 CA GLU A 760 7.716 -12.842 -3.680 1.00 0.00 C ATOM 138 C GLU A 760 9.090 -13.465 -4.017 1.00 0.00 C ATOM 139 O GLU A 760 10.138 -12.921 -3.664 1.00 0.00 O ATOM 140 CB GLU A 760 6.869 -12.733 -4.968 1.00 0.00 C ATOM 141 CG GLU A 760 5.776 -11.653 -5.038 1.00 0.00 C ATOM 142 CD GLU A 760 4.646 -11.865 -4.027 1.00 0.00 C ATOM 143 OE1 GLU A 760 4.884 -11.773 -2.803 1.00 0.00 O ATOM 144 OE2 GLU A 760 3.490 -12.097 -4.443 1.00 0.00 O ATOM 0 H GLU A 760 7.947 -10.768 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 760 7.201 -13.488 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 760 7.552 -12.568 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 760 6.392 -13.699 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.229 -10.677 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 760 5.356 -11.637 -6.044 1.00 0.00 H new ATOM 151 N GLN A 761 9.102 -14.571 -4.767 1.00 0.00 N ATOM 152 CA GLN A 761 10.293 -15.120 -5.421 1.00 0.00 C ATOM 153 C GLN A 761 9.904 -16.028 -6.593 1.00 0.00 C ATOM 154 O GLN A 761 8.903 -16.744 -6.518 1.00 0.00 O ATOM 155 CB GLN A 761 11.198 -15.853 -4.415 1.00 0.00 C ATOM 156 CG GLN A 761 10.537 -17.066 -3.735 1.00 0.00 C ATOM 157 CD GLN A 761 11.260 -17.448 -2.446 1.00 0.00 C ATOM 158 OE1 GLN A 761 11.999 -18.425 -2.370 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.092 -16.679 -1.385 1.00 0.00 N ATOM 0 H GLN A 761 8.262 -15.123 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 761 10.868 -14.286 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.099 -16.186 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.513 -15.147 -3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.494 -16.837 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.539 -17.914 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.480 -15.865 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.574 -16.900 -0.514 1.00 0.00 H new ATOM 168 N SER A 762 10.690 -16.013 -7.670 1.00 0.00 N ATOM 169 CA SER A 762 10.503 -16.918 -8.817 1.00 0.00 C ATOM 170 C SER A 762 11.053 -18.322 -8.505 1.00 0.00 C ATOM 171 O SER A 762 12.092 -18.469 -7.853 1.00 0.00 O ATOM 172 CB SER A 762 11.182 -16.367 -10.084 1.00 0.00 C ATOM 173 OG SER A 762 10.806 -15.016 -10.345 1.00 0.00 O ATOM 0 H SER A 762 11.477 -15.374 -7.777 1.00 0.00 H new ATOM 0 HA SER A 762 9.431 -16.988 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 762 12.264 -16.427 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.916 -16.989 -10.938 1.00 0.00 H new ATOM 0 HG SER A 762 11.258 -14.701 -11.155 1.00 0.00 H new ATOM 179 N CYS A 763 10.384 -19.365 -9.007 1.00 0.00 N ATOM 180 CA CYS A 763 10.713 -20.779 -8.775 1.00 0.00 C ATOM 181 C CYS A 763 10.147 -21.655 -9.907 1.00 0.00 C ATOM 182 O CYS A 763 9.189 -21.259 -10.581 1.00 0.00 O ATOM 183 CB CYS A 763 10.167 -21.178 -7.392 1.00 0.00 C ATOM 184 SG CYS A 763 10.911 -22.739 -6.829 1.00 0.00 S ATOM 0 H CYS A 763 9.569 -19.246 -9.608 1.00 0.00 H new ATOM 0 HA CYS A 763 11.792 -20.931 -8.781 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.379 -20.388 -6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 763 9.083 -21.283 -7.441 1.00 0.00 H new ATOM 0 HG CYS A 763 10.435 -23.050 -5.660 1.00 0.00 H new ATOM 190 N ARG A 764 10.709 -22.850 -10.119 1.00 0.00 N ATOM 191 CA ARG A 764 10.160 -23.806 -11.091 1.00 0.00 C ATOM 192 C ARG A 764 8.901 -24.473 -10.519 1.00 0.00 C ATOM 193 O ARG A 764 8.856 -24.874 -9.353 1.00 0.00 O ATOM 194 CB ARG A 764 11.217 -24.815 -11.576 1.00 0.00 C ATOM 195 CG ARG A 764 10.859 -25.310 -12.990 1.00 0.00 C ATOM 196 CD ARG A 764 11.910 -26.264 -13.566 1.00 0.00 C ATOM 197 NE ARG A 764 11.627 -26.643 -14.962 1.00 0.00 N ATOM 198 CZ ARG A 764 11.778 -25.891 -16.050 1.00 0.00 C ATOM 199 NH1 ARG A 764 12.227 -24.652 -16.001 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.481 -26.393 -17.228 1.00 0.00 N ATOM 0 H ARG A 764 11.543 -23.179 -9.632 1.00 0.00 H new ATOM 0 HA ARG A 764 9.861 -23.259 -11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.202 -24.348 -11.583 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.269 -25.659 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.893 -25.815 -12.960 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.750 -24.452 -13.654 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.891 -25.792 -13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.955 -27.163 -12.951 1.00 0.00 H new ATOM 0 HE ARG A 764 11.276 -27.589 -15.111 1.00 0.00 H new ATOM 0 HH11 ARG A 764 12.474 -24.234 -15.104 1.00 0.00 H new ATOM 0 HH12 ARG A 764 12.327 -24.111 -16.860 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.138 -27.351 -17.303 1.00 0.00 H new ATOM 0 HH22 ARG A 764 11.593 -25.825 -18.068 1.00 0.00 H new ATOM 214 N VAL A 765 7.880 -24.569 -11.356 1.00 0.00 N ATOM 215 CA VAL A 765 6.518 -25.040 -11.085 1.00 0.00 C ATOM 216 C VAL A 765 6.096 -26.053 -12.158 1.00 0.00 C ATOM 217 O VAL A 765 6.821 -26.275 -13.129 1.00 0.00 O ATOM 218 CB VAL A 765 5.517 -23.853 -11.022 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.816 -22.920 -9.837 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.502 -23.017 -12.308 1.00 0.00 C ATOM 0 H VAL A 765 7.987 -24.296 -12.333 1.00 0.00 H new ATOM 0 HA VAL A 765 6.507 -25.530 -10.112 1.00 0.00 H new ATOM 0 HB VAL A 765 4.537 -24.312 -10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.095 -22.103 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.742 -23.481 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.823 -22.515 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.784 -22.203 -12.205 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.495 -22.605 -12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.216 -23.648 -13.149 1.00 0.00 H new ATOM 230 N VAL A 766 4.930 -26.671 -11.985 1.00 0.00 N ATOM 231 CA VAL A 766 4.487 -27.815 -12.796 1.00 0.00 C ATOM 232 C VAL A 766 2.967 -27.854 -12.931 1.00 0.00 C ATOM 233 O VAL A 766 2.261 -27.687 -11.937 1.00 0.00 O ATOM 234 CB VAL A 766 5.028 -29.141 -12.211 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.741 -29.315 -10.715 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.521 -30.393 -12.940 1.00 0.00 C ATOM 0 H VAL A 766 4.256 -26.393 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 766 4.898 -27.690 -13.798 1.00 0.00 H new ATOM 0 HB VAL A 766 6.104 -29.052 -12.363 1.00 0.00 H new ATOM 0 HG11 VAL A 766 5.149 -30.267 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 766 5.205 -28.501 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.664 -29.301 -10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.944 -31.282 -12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.433 -30.434 -12.880 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.826 -30.353 -13.986 1.00 0.00 H new ATOM 246 N THR A 767 2.483 -28.120 -14.153 1.00 0.00 N ATOM 247 CA THR A 767 1.077 -28.418 -14.443 1.00 0.00 C ATOM 248 C THR A 767 0.935 -29.907 -14.712 1.00 0.00 C ATOM 249 O THR A 767 1.519 -30.404 -15.678 1.00 0.00 O ATOM 250 CB THR A 767 0.573 -27.595 -15.637 1.00 0.00 C ATOM 251 OG1 THR A 767 0.698 -26.224 -15.328 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.907 -27.847 -15.937 1.00 0.00 C ATOM 0 H THR A 767 3.074 -28.134 -14.985 1.00 0.00 H new ATOM 0 HA THR A 767 0.466 -28.145 -13.583 1.00 0.00 H new ATOM 0 HB THR A 767 1.167 -27.888 -16.503 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.380 -25.688 -16.084 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.214 -27.241 -16.790 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.057 -28.902 -16.168 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.506 -27.578 -15.067 1.00 0.00 H new ATOM 260 N CYS A 768 0.143 -30.605 -13.891 1.00 0.00 N ATOM 261 CA CYS A 768 -0.305 -31.965 -14.187 1.00 0.00 C ATOM 262 C CYS A 768 -1.336 -31.904 -15.325 1.00 0.00 C ATOM 263 O CYS A 768 -2.377 -31.257 -15.215 1.00 0.00 O ATOM 264 CB CYS A 768 -0.892 -32.626 -12.927 1.00 0.00 C ATOM 265 SG CYS A 768 -1.339 -34.369 -13.269 1.00 0.00 S ATOM 0 H CYS A 768 -0.204 -30.241 -13.004 1.00 0.00 H new ATOM 0 HA CYS A 768 0.539 -32.577 -14.505 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.167 -32.583 -12.115 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.773 -32.076 -12.597 1.00 0.00 H new ATOM 270 N LYS A 769 -1.042 -32.567 -16.439 1.00 0.00 N ATOM 271 CA LYS A 769 -1.904 -32.608 -17.622 1.00 0.00 C ATOM 272 C LYS A 769 -3.077 -33.594 -17.462 1.00 0.00 C ATOM 273 O LYS A 769 -4.060 -33.484 -18.202 1.00 0.00 O ATOM 274 CB LYS A 769 -1.041 -32.948 -18.860 1.00 0.00 C ATOM 275 CG LYS A 769 0.149 -31.997 -19.105 1.00 0.00 C ATOM 276 CD LYS A 769 -0.213 -30.507 -19.220 1.00 0.00 C ATOM 277 CE LYS A 769 -1.147 -30.240 -20.411 1.00 0.00 C ATOM 278 NZ LYS A 769 -1.481 -28.798 -20.540 1.00 0.00 N ATOM 0 H LYS A 769 -0.181 -33.103 -16.550 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.359 -31.626 -17.754 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -0.659 -33.963 -18.751 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -1.680 -32.941 -19.743 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.863 -32.119 -18.291 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.655 -32.303 -20.021 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -0.694 -30.177 -18.299 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.698 -29.919 -19.332 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -0.673 -30.586 -21.329 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -2.064 -30.816 -20.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -2.113 -28.659 -21.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -1.956 -28.473 -19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.608 -28.251 -20.682 1.00 0.00 H new ATOM 292 N THR A 770 -2.998 -34.524 -16.498 1.00 0.00 N ATOM 293 CA THR A 770 -4.043 -35.523 -16.207 1.00 0.00 C ATOM 294 C THR A 770 -5.122 -34.965 -15.278 1.00 0.00 C ATOM 295 O THR A 770 -6.299 -35.225 -15.522 1.00 0.00 O ATOM 296 CB THR A 770 -3.400 -36.790 -15.630 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.371 -37.241 -16.491 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.410 -37.924 -15.472 1.00 0.00 C ATOM 0 H THR A 770 -2.188 -34.606 -15.884 1.00 0.00 H new ATOM 0 HA THR A 770 -4.544 -35.779 -17.140 1.00 0.00 H new ATOM 0 HB THR A 770 -3.006 -36.528 -14.648 1.00 0.00 H new ATOM 0 HG1 THR A 770 -1.962 -38.049 -16.117 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.911 -38.801 -15.060 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.207 -37.610 -14.798 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.834 -38.171 -16.445 1.00 0.00 H new ATOM 306 N CYS A 771 -4.763 -34.155 -14.274 1.00 0.00 N ATOM 307 CA CYS A 771 -5.704 -33.543 -13.318 1.00 0.00 C ATOM 308 C CYS A 771 -6.001 -32.050 -13.591 1.00 0.00 C ATOM 309 O CYS A 771 -6.977 -31.515 -13.064 1.00 0.00 O ATOM 310 CB CYS A 771 -5.141 -33.696 -11.897 1.00 0.00 C ATOM 311 SG CYS A 771 -4.814 -35.431 -11.423 1.00 0.00 S ATOM 0 H CYS A 771 -3.791 -33.900 -14.097 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.652 -34.069 -13.435 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.215 -33.126 -11.819 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.845 -33.261 -11.187 1.00 0.00 H new ATOM 316 N LYS A 772 -5.171 -31.380 -14.398 1.00 0.00 N ATOM 317 CA LYS A 772 -5.316 -29.990 -14.876 1.00 0.00 C ATOM 318 C LYS A 772 -5.092 -28.914 -13.782 1.00 0.00 C ATOM 319 O LYS A 772 -5.612 -27.801 -13.886 1.00 0.00 O ATOM 320 CB LYS A 772 -6.623 -29.804 -15.688 1.00 0.00 C ATOM 321 CG LYS A 772 -6.710 -30.613 -16.999 1.00 0.00 C ATOM 322 CD LYS A 772 -7.043 -32.107 -16.913 1.00 0.00 C ATOM 323 CE LYS A 772 -8.363 -32.374 -16.179 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.705 -33.819 -16.195 1.00 0.00 N ATOM 0 H LYS A 772 -4.324 -31.817 -14.761 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.493 -29.816 -15.569 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.466 -30.080 -15.055 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.735 -28.746 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.462 -30.141 -17.631 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -5.754 -30.515 -17.514 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.101 -32.521 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -6.234 -32.627 -16.400 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.285 -32.028 -15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -9.164 -31.803 -16.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -9.459 -34.005 -15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -9.032 -34.088 -17.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.863 -34.378 -15.948 1.00 0.00 H new ATOM 338 N TYR A 773 -4.314 -29.226 -12.735 1.00 0.00 N ATOM 339 CA TYR A 773 -3.846 -28.256 -11.719 1.00 0.00 C ATOM 340 C TYR A 773 -2.378 -27.835 -11.939 1.00 0.00 C ATOM 341 O TYR A 773 -1.594 -28.610 -12.495 1.00 0.00 O ATOM 342 CB TYR A 773 -4.035 -28.803 -10.289 1.00 0.00 C ATOM 343 CG TYR A 773 -3.071 -29.896 -9.860 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.788 -29.560 -9.380 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.460 -31.248 -9.896 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.878 -30.563 -8.993 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.567 -32.254 -9.475 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.261 -31.919 -9.044 1.00 0.00 C ATOM 349 OH TYR A 773 -0.378 -32.886 -8.676 1.00 0.00 O ATOM 0 H TYR A 773 -3.983 -30.175 -12.562 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.465 -27.367 -11.837 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.946 -27.972 -9.589 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.051 -29.187 -10.200 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.500 -28.522 -9.308 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.446 -31.516 -10.247 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.113 -30.294 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.881 -33.287 -9.481 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.730 -33.764 -8.931 1.00 0.00 H new ATOM 359 N THR A 774 -2.004 -26.647 -11.438 1.00 0.00 N ATOM 360 CA THR A 774 -0.619 -26.127 -11.415 1.00 0.00 C ATOM 361 C THR A 774 -0.162 -25.959 -9.965 1.00 0.00 C ATOM 362 O THR A 774 -0.927 -25.491 -9.125 1.00 0.00 O ATOM 363 CB THR A 774 -0.518 -24.793 -12.169 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.144 -24.903 -13.430 1.00 0.00 O ATOM 365 CG2 THR A 774 0.938 -24.382 -12.418 1.00 0.00 C ATOM 0 H THR A 774 -2.674 -25.999 -11.024 1.00 0.00 H new ATOM 0 HA THR A 774 0.032 -26.842 -11.918 1.00 0.00 H new ATOM 0 HB THR A 774 -1.005 -24.043 -11.545 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.528 -25.325 -14.065 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.962 -23.433 -12.954 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.454 -24.273 -11.464 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.435 -25.147 -13.014 1.00 0.00 H new ATOM 373 N HIS A 775 1.078 -26.341 -9.666 1.00 0.00 N ATOM 374 CA HIS A 775 1.681 -26.334 -8.321 1.00 0.00 C ATOM 375 C HIS A 775 3.223 -26.301 -8.392 1.00 0.00 C ATOM 376 O HIS A 775 3.802 -26.323 -9.482 1.00 0.00 O ATOM 377 CB HIS A 775 1.179 -27.560 -7.526 1.00 0.00 C ATOM 378 CG HIS A 775 0.703 -27.227 -6.134 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.367 -27.462 -4.948 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.512 -26.678 -5.819 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.569 -27.050 -3.944 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.591 -26.558 -4.425 1.00 0.00 N ATOM 0 H HIS A 775 1.723 -26.679 -10.380 1.00 0.00 H new ATOM 0 HA HIS A 775 1.372 -25.426 -7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.364 -28.030 -8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.983 -28.293 -7.460 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.277 -26.388 -6.524 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.824 -27.106 -2.896 1.00 0.00 H new ATOM 0 HE2 HIS A 775 -1.367 -26.176 -3.884 1.00 0.00 H new ATOM 390 N PHE A 776 3.906 -26.279 -7.239 1.00 0.00 N ATOM 391 CA PHE A 776 5.378 -26.262 -7.140 1.00 0.00 C ATOM 392 C PHE A 776 6.029 -27.613 -7.512 1.00 0.00 C ATOM 393 O PHE A 776 7.163 -27.648 -7.986 1.00 0.00 O ATOM 394 CB PHE A 776 5.805 -25.877 -5.707 1.00 0.00 C ATOM 395 CG PHE A 776 4.897 -24.883 -5.006 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.821 -23.552 -5.449 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.057 -25.329 -3.964 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.893 -22.674 -4.860 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.123 -24.456 -3.389 1.00 0.00 C ATOM 400 CZ PHE A 776 3.035 -23.131 -3.846 1.00 0.00 C ATOM 0 H PHE A 776 3.445 -26.272 -6.329 1.00 0.00 H new ATOM 0 HA PHE A 776 5.726 -25.522 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.857 -26.784 -5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.812 -25.461 -5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.472 -23.205 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.134 -26.346 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.840 -21.646 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 776 2.474 -24.801 -2.598 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.305 -22.461 -3.416 1.00 0.00 H new ATOM 410 N LYS A 777 5.305 -28.718 -7.303 1.00 0.00 N ATOM 411 CA LYS A 777 5.727 -30.107 -7.558 1.00 0.00 C ATOM 412 C LYS A 777 4.508 -31.010 -7.866 1.00 0.00 C ATOM 413 O LYS A 777 3.390 -30.650 -7.468 1.00 0.00 O ATOM 414 CB LYS A 777 6.531 -30.610 -6.340 1.00 0.00 C ATOM 415 CG LYS A 777 5.660 -30.930 -5.115 1.00 0.00 C ATOM 416 CD LYS A 777 6.502 -31.473 -3.956 1.00 0.00 C ATOM 417 CE LYS A 777 5.642 -32.303 -2.986 1.00 0.00 C ATOM 418 NZ LYS A 777 5.309 -33.638 -3.548 1.00 0.00 N ATOM 0 H LYS A 777 4.356 -28.669 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 777 6.366 -30.145 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.084 -31.505 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.267 -29.855 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.135 -30.030 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 777 4.900 -31.662 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.311 -32.090 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 777 6.964 -30.645 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 777 6.175 -32.428 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 777 4.722 -31.763 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 4.634 -34.120 -2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 4.884 -33.522 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 6.176 -34.208 -3.627 1.00 0.00 H new ATOM 432 N PRO A 778 4.687 -32.186 -8.508 1.00 0.00 N ATOM 433 CA PRO A 778 3.628 -33.183 -8.611 1.00 0.00 C ATOM 434 C PRO A 778 3.413 -33.835 -7.241 1.00 0.00 C ATOM 435 O PRO A 778 4.350 -33.998 -6.455 1.00 0.00 O ATOM 436 CB PRO A 778 4.102 -34.186 -9.664 1.00 0.00 C ATOM 437 CG PRO A 778 5.625 -34.146 -9.530 1.00 0.00 C ATOM 438 CD PRO A 778 5.905 -32.694 -9.139 1.00 0.00 C ATOM 0 HA PRO A 778 2.669 -32.758 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.708 -35.184 -9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.779 -33.901 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.981 -34.843 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.118 -34.413 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.750 -32.634 -8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.163 -32.100 -10.016 1.00 0.00 H new ATOM 446 N LYS A 779 2.172 -34.226 -6.951 1.00 0.00 N ATOM 447 CA LYS A 779 1.855 -34.998 -5.744 1.00 0.00 C ATOM 448 C LYS A 779 2.465 -36.412 -5.790 1.00 0.00 C ATOM 449 O LYS A 779 2.685 -37.003 -6.852 1.00 0.00 O ATOM 450 CB LYS A 779 0.332 -35.076 -5.553 1.00 0.00 C ATOM 451 CG LYS A 779 -0.269 -33.717 -5.161 1.00 0.00 C ATOM 452 CD LYS A 779 -1.784 -33.788 -4.914 1.00 0.00 C ATOM 453 CE LYS A 779 -2.555 -34.160 -6.192 1.00 0.00 C ATOM 454 NZ LYS A 779 -4.017 -34.224 -5.941 1.00 0.00 N ATOM 0 H LYS A 779 1.364 -34.020 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 779 2.298 -34.481 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.132 -35.425 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.100 -35.811 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.225 -33.352 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.067 -32.994 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.991 -34.524 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.137 -32.826 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.349 -33.425 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.205 -35.123 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.510 -34.477 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -4.214 -34.943 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.353 -33.297 -5.610 1.00 0.00 H new ATOM 468 N GLU A 780 2.673 -37.000 -4.614 1.00 0.00 N ATOM 469 CA GLU A 780 3.161 -38.377 -4.471 1.00 0.00 C ATOM 470 C GLU A 780 2.237 -39.387 -5.173 1.00 0.00 C ATOM 471 O GLU A 780 2.718 -40.335 -5.799 1.00 0.00 O ATOM 472 CB GLU A 780 3.318 -38.748 -2.987 1.00 0.00 C ATOM 473 CG GLU A 780 4.325 -37.881 -2.213 1.00 0.00 C ATOM 474 CD GLU A 780 3.698 -36.595 -1.649 1.00 0.00 C ATOM 475 OE1 GLU A 780 3.614 -35.587 -2.388 1.00 0.00 O ATOM 476 OE2 GLU A 780 3.281 -36.582 -0.468 1.00 0.00 O ATOM 0 H GLU A 780 2.507 -36.533 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 780 4.137 -38.424 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.345 -38.672 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.628 -39.791 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 780 4.745 -38.464 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 780 5.152 -37.617 -2.872 1.00 0.00 H new ATOM 483 N THR A 781 0.921 -39.137 -5.155 1.00 0.00 N ATOM 484 CA THR A 781 -0.088 -39.888 -5.914 1.00 0.00 C ATOM 485 C THR A 781 0.059 -39.694 -7.419 1.00 0.00 C ATOM 486 O THR A 781 -0.008 -40.681 -8.147 1.00 0.00 O ATOM 487 CB THR A 781 -1.498 -39.488 -5.464 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.596 -38.081 -5.352 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.822 -40.091 -4.098 1.00 0.00 C ATOM 0 H THR A 781 0.517 -38.385 -4.596 1.00 0.00 H new ATOM 0 HA THR A 781 0.072 -40.946 -5.706 1.00 0.00 H new ATOM 0 HB THR A 781 -2.199 -39.860 -6.211 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.501 -37.838 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.827 -39.794 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.767 -41.178 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.103 -39.732 -3.362 1.00 0.00 H new ATOM 497 N CYS A 782 0.328 -38.479 -7.895 1.00 0.00 N ATOM 498 CA CYS A 782 0.560 -38.186 -9.312 1.00 0.00 C ATOM 499 C CYS A 782 1.857 -38.834 -9.841 1.00 0.00 C ATOM 500 O CYS A 782 1.890 -39.288 -10.985 1.00 0.00 O ATOM 501 CB CYS A 782 0.571 -36.663 -9.524 1.00 0.00 C ATOM 502 SG CYS A 782 -1.108 -35.990 -9.290 1.00 0.00 S ATOM 0 H CYS A 782 0.392 -37.655 -7.297 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.255 -38.624 -9.887 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.261 -36.195 -8.822 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.929 -36.429 -10.527 1.00 0.00 H new ATOM 507 N VAL A 783 2.895 -38.924 -9.008 1.00 0.00 N ATOM 508 CA VAL A 783 4.137 -39.653 -9.326 1.00 0.00 C ATOM 509 C VAL A 783 3.905 -41.176 -9.310 1.00 0.00 C ATOM 510 O VAL A 783 4.376 -41.866 -10.211 1.00 0.00 O ATOM 511 CB VAL A 783 5.280 -39.243 -8.373 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.565 -40.066 -8.596 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.640 -37.757 -8.552 1.00 0.00 C ATOM 0 H VAL A 783 2.903 -38.491 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 783 4.439 -39.379 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 783 4.906 -39.433 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.335 -39.735 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.354 -41.122 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.916 -39.923 -9.618 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.448 -37.494 -7.869 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.961 -37.582 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.766 -37.142 -8.335 1.00 0.00 H new ATOM 523 N SER A 784 3.160 -41.708 -8.334 1.00 0.00 N ATOM 524 CA SER A 784 2.907 -43.148 -8.177 1.00 0.00 C ATOM 525 C SER A 784 1.954 -43.719 -9.238 1.00 0.00 C ATOM 526 O SER A 784 2.217 -44.789 -9.791 1.00 0.00 O ATOM 527 CB SER A 784 2.327 -43.392 -6.778 1.00 0.00 C ATOM 528 OG SER A 784 3.254 -43.092 -5.741 1.00 0.00 O ATOM 0 H SER A 784 2.707 -41.141 -7.617 1.00 0.00 H new ATOM 0 HA SER A 784 3.858 -43.664 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 784 1.433 -42.783 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.018 -44.434 -6.694 1.00 0.00 H new ATOM 0 HG SER A 784 3.251 -42.127 -5.568 1.00 0.00 H new ATOM 534 N GLU A 785 0.872 -42.998 -9.560 1.00 0.00 N ATOM 535 CA GLU A 785 -0.030 -43.314 -10.675 1.00 0.00 C ATOM 536 C GLU A 785 0.551 -42.883 -12.038 1.00 0.00 C ATOM 537 O GLU A 785 0.056 -43.293 -13.088 1.00 0.00 O ATOM 538 CB GLU A 785 -1.403 -42.651 -10.455 1.00 0.00 C ATOM 539 CG GLU A 785 -2.155 -43.146 -9.208 1.00 0.00 C ATOM 540 CD GLU A 785 -2.523 -44.638 -9.315 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.455 -44.980 -10.078 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.895 -45.480 -8.626 1.00 0.00 O ATOM 0 H GLU A 785 0.594 -42.164 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.147 -44.398 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.264 -41.573 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.024 -42.829 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.537 -42.987 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -3.062 -42.557 -9.073 1.00 0.00 H new ATOM 549 N ASN A 786 1.617 -42.079 -12.019 1.00 0.00 N ATOM 550 CA ASN A 786 2.488 -41.765 -13.154 1.00 0.00 C ATOM 551 C ASN A 786 1.807 -40.883 -14.219 1.00 0.00 C ATOM 552 O ASN A 786 1.893 -41.140 -15.427 1.00 0.00 O ATOM 553 CB ASN A 786 3.140 -43.059 -13.688 1.00 0.00 C ATOM 554 CG ASN A 786 4.548 -42.794 -14.203 1.00 0.00 C ATOM 555 OD1 ASN A 786 4.817 -42.810 -15.398 1.00 0.00 O ATOM 556 ND2 ASN A 786 5.474 -42.539 -13.296 1.00 0.00 N ATOM 0 H ASN A 786 1.911 -41.604 -11.166 1.00 0.00 H new ATOM 0 HA ASN A 786 3.302 -41.129 -12.807 1.00 0.00 H new ATOM 0 HB2 ASN A 786 3.175 -43.806 -12.895 1.00 0.00 H new ATOM 0 HB3 ASN A 786 2.529 -43.473 -14.490 1.00 0.00 H new ATOM 0 HD21 ASN A 786 6.434 -42.351 -13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 786 5.229 -42.530 -12.306 1.00 0.00 H new ATOM 563 N HIS A 787 1.112 -39.837 -13.754 1.00 0.00 N ATOM 564 CA HIS A 787 0.472 -38.809 -14.581 1.00 0.00 C ATOM 565 C HIS A 787 1.503 -38.065 -15.445 1.00 0.00 C ATOM 566 O HIS A 787 2.690 -38.013 -15.118 1.00 0.00 O ATOM 567 CB HIS A 787 -0.298 -37.829 -13.673 1.00 0.00 C ATOM 568 CG HIS A 787 -1.492 -38.402 -12.930 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.348 -37.717 -12.059 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.941 -39.697 -13.024 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.274 -38.612 -11.651 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.050 -39.809 -12.218 1.00 0.00 N ATOM 0 H HIS A 787 0.976 -39.679 -12.756 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.229 -39.292 -15.262 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.398 -37.421 -12.940 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.643 -36.994 -14.284 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.503 -40.483 -13.621 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.080 -38.396 -10.966 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.605 -40.653 -12.076 1.00 0.00 H new ATOM 580 N ASP A 788 1.059 -37.488 -16.558 1.00 0.00 N ATOM 581 CA ASP A 788 1.884 -36.597 -17.386 1.00 0.00 C ATOM 582 C ASP A 788 1.891 -35.180 -16.793 1.00 0.00 C ATOM 583 O ASP A 788 0.848 -34.693 -16.365 1.00 0.00 O ATOM 584 CB ASP A 788 1.348 -36.571 -18.825 1.00 0.00 C ATOM 585 CG ASP A 788 1.587 -37.895 -19.563 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.759 -38.189 -19.906 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.605 -38.631 -19.821 1.00 0.00 O ATOM 0 H ASP A 788 0.114 -37.622 -16.917 1.00 0.00 H new ATOM 0 HA ASP A 788 2.907 -36.973 -17.400 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.280 -36.356 -18.808 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.828 -35.761 -19.374 1.00 0.00 H new ATOM 592 N PHE A 789 3.048 -34.506 -16.802 1.00 0.00 N ATOM 593 CA PHE A 789 3.176 -33.118 -16.350 1.00 0.00 C ATOM 594 C PHE A 789 4.131 -32.291 -17.227 1.00 0.00 C ATOM 595 O PHE A 789 5.121 -32.806 -17.742 1.00 0.00 O ATOM 596 CB PHE A 789 3.600 -33.003 -14.864 1.00 0.00 C ATOM 597 CG PHE A 789 3.917 -34.259 -14.075 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.893 -34.957 -13.409 1.00 0.00 C ATOM 599 CD2 PHE A 789 5.255 -34.687 -13.938 1.00 0.00 C ATOM 600 CE1 PHE A 789 3.209 -36.069 -12.609 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.571 -35.804 -13.146 1.00 0.00 C ATOM 602 CZ PHE A 789 4.543 -36.498 -12.480 1.00 0.00 C ATOM 0 H PHE A 789 3.926 -34.912 -17.125 1.00 0.00 H new ATOM 0 HA PHE A 789 2.174 -32.702 -16.450 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.481 -32.363 -14.825 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.802 -32.480 -14.337 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.866 -34.639 -13.512 1.00 0.00 H new ATOM 0 HD2 PHE A 789 6.043 -34.151 -14.446 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.423 -36.597 -12.090 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.597 -36.128 -13.049 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.778 -37.358 -11.871 1.00 0.00 H new ATOM 612 N HIS A 790 3.849 -30.992 -17.347 1.00 0.00 N ATOM 613 CA HIS A 790 4.725 -30.003 -17.982 1.00 0.00 C ATOM 614 C HIS A 790 5.317 -29.056 -16.921 1.00 0.00 C ATOM 615 O HIS A 790 4.566 -28.397 -16.198 1.00 0.00 O ATOM 616 CB HIS A 790 3.928 -29.197 -19.023 1.00 0.00 C ATOM 617 CG HIS A 790 3.478 -29.922 -20.273 1.00 0.00 C ATOM 618 ND1 HIS A 790 2.819 -29.326 -21.326 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.637 -31.243 -20.600 1.00 0.00 C ATOM 620 CE1 HIS A 790 2.579 -30.266 -22.256 1.00 0.00 C ATOM 621 NE2 HIS A 790 3.066 -31.457 -21.861 1.00 0.00 N ATOM 0 H HIS A 790 2.981 -30.587 -16.996 1.00 0.00 H new ATOM 0 HA HIS A 790 5.543 -30.522 -18.481 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.043 -28.794 -18.531 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.538 -28.347 -19.328 1.00 0.00 H new ATOM 0 HD2 HIS A 790 4.120 -31.992 -19.990 1.00 0.00 H new ATOM 0 HE1 HIS A 790 2.067 -30.090 -23.190 1.00 0.00 H new ATOM 0 HE2 HIS A 790 3.027 -32.337 -22.376 1.00 0.00 H new ATOM 629 N TRP A 791 6.648 -28.961 -16.844 1.00 0.00 N ATOM 630 CA TRP A 791 7.369 -28.035 -15.956 1.00 0.00 C ATOM 631 C TRP A 791 7.695 -26.689 -16.641 1.00 0.00 C ATOM 632 O TRP A 791 7.929 -26.634 -17.851 1.00 0.00 O ATOM 633 CB TRP A 791 8.654 -28.706 -15.443 1.00 0.00 C ATOM 634 CG TRP A 791 8.470 -29.850 -14.487 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.163 -31.122 -14.823 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.619 -29.850 -13.032 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.118 -31.909 -13.689 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.399 -31.178 -12.553 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.891 -28.860 -12.062 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.494 -31.510 -11.193 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.967 -29.176 -10.693 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.768 -30.500 -10.255 1.00 0.00 C ATOM 0 H TRP A 791 7.271 -29.538 -17.409 1.00 0.00 H new ATOM 0 HA TRP A 791 6.713 -27.806 -15.116 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.219 -29.066 -16.303 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.265 -27.947 -14.955 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.980 -31.471 -15.828 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.904 -32.906 -13.691 1.00 0.00 H new ATOM 0 HE3 TRP A 791 9.044 -27.839 -12.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.358 -32.532 -10.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.179 -28.399 -9.974 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.826 -30.738 -9.203 1.00 0.00 H new ATOM 653 N HIS A 792 7.752 -25.607 -15.857 1.00 0.00 N ATOM 654 CA HIS A 792 8.007 -24.220 -16.291 1.00 0.00 C ATOM 655 C HIS A 792 8.308 -23.315 -15.074 1.00 0.00 C ATOM 656 O HIS A 792 8.183 -23.766 -13.936 1.00 0.00 O ATOM 657 CB HIS A 792 6.795 -23.710 -17.097 1.00 0.00 C ATOM 658 CG HIS A 792 5.495 -23.632 -16.323 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.864 -22.479 -15.909 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.696 -24.680 -15.945 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.707 -22.824 -15.311 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.556 -24.163 -15.305 1.00 0.00 N ATOM 0 H HIS A 792 7.615 -25.674 -14.848 1.00 0.00 H new ATOM 0 HA HIS A 792 8.887 -24.192 -16.934 1.00 0.00 H new ATOM 0 HB2 HIS A 792 7.028 -22.719 -17.486 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.649 -24.364 -17.957 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.907 -25.726 -16.111 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.998 -22.124 -14.894 1.00 0.00 H new ATOM 0 HE2 HIS A 792 2.776 -24.692 -14.916 1.00 0.00 H new ATOM 670 N ASN A 793 8.696 -22.050 -15.269 1.00 0.00 N ATOM 671 CA ASN A 793 8.905 -21.100 -14.162 1.00 0.00 C ATOM 672 C ASN A 793 7.612 -20.334 -13.796 1.00 0.00 C ATOM 673 O ASN A 793 6.764 -20.067 -14.656 1.00 0.00 O ATOM 674 CB ASN A 793 10.062 -20.143 -14.505 1.00 0.00 C ATOM 675 CG ASN A 793 10.630 -19.446 -13.274 1.00 0.00 C ATOM 676 OD1 ASN A 793 10.190 -18.370 -12.889 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.620 -20.035 -12.632 1.00 0.00 N ATOM 0 H ASN A 793 8.874 -21.654 -16.192 1.00 0.00 H new ATOM 0 HA ASN A 793 9.178 -21.669 -13.273 1.00 0.00 H new ATOM 0 HB2 ASN A 793 10.856 -20.702 -15.001 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.710 -19.393 -15.213 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.026 -19.594 -11.807 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.979 -20.931 -12.961 1.00 0.00 H new ATOM 684 N GLY A 794 7.465 -19.969 -12.514 1.00 0.00 N ATOM 685 CA GLY A 794 6.361 -19.167 -11.962 1.00 0.00 C ATOM 686 C GLY A 794 6.760 -18.380 -10.710 1.00 0.00 C ATOM 687 O GLY A 794 7.921 -18.401 -10.301 1.00 0.00 O ATOM 0 H GLY A 794 8.143 -20.237 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 794 6.008 -18.472 -12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.527 -19.825 -11.720 1.00 0.00 H new ATOM 691 N VAL A 795 5.798 -17.675 -10.107 1.00 0.00 N ATOM 692 CA VAL A 795 5.976 -16.869 -8.878 1.00 0.00 C ATOM 693 C VAL A 795 4.932 -17.272 -7.831 1.00 0.00 C ATOM 694 O VAL A 795 3.772 -17.514 -8.165 1.00 0.00 O ATOM 695 CB VAL A 795 5.908 -15.348 -9.171 1.00 0.00 C ATOM 696 CG1 VAL A 795 6.063 -14.514 -7.886 1.00 0.00 C ATOM 697 CG2 VAL A 795 7.008 -14.920 -10.159 1.00 0.00 C ATOM 0 H VAL A 795 4.843 -17.643 -10.465 1.00 0.00 H new ATOM 0 HA VAL A 795 6.971 -17.073 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 795 4.926 -15.164 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 795 6.010 -13.453 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.263 -14.766 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 795 7.026 -14.732 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.934 -13.848 -10.344 1.00 0.00 H new ATOM 0 HG22 VAL A 795 7.986 -15.148 -9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.884 -15.460 -11.098 1.00 0.00 H new ATOM 707 N LYS A 796 5.357 -17.358 -6.563 1.00 0.00 N ATOM 708 CA LYS A 796 4.579 -17.923 -5.451 1.00 0.00 C ATOM 709 C LYS A 796 4.210 -16.904 -4.355 1.00 0.00 C ATOM 710 O LYS A 796 4.920 -15.916 -4.139 1.00 0.00 O ATOM 711 CB LYS A 796 5.354 -19.135 -4.905 1.00 0.00 C ATOM 712 CG LYS A 796 6.651 -18.752 -4.164 1.00 0.00 C ATOM 713 CD LYS A 796 7.688 -19.882 -4.178 1.00 0.00 C ATOM 714 CE LYS A 796 7.174 -21.162 -3.505 1.00 0.00 C ATOM 715 NZ LYS A 796 8.193 -22.246 -3.526 1.00 0.00 N ATOM 0 H LYS A 796 6.278 -17.027 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 796 3.607 -18.239 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.709 -19.693 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.600 -19.801 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.081 -17.863 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.414 -18.493 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 796 7.965 -20.104 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.592 -19.547 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.897 -20.944 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.271 -21.502 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.808 -23.093 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.439 -22.472 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.045 -21.931 -3.020 1.00 0.00 H new ATOM 729 N ARG A 797 3.082 -17.156 -3.683 1.00 0.00 N ATOM 730 CA ARG A 797 2.394 -16.274 -2.730 1.00 0.00 C ATOM 731 C ARG A 797 2.248 -16.994 -1.377 1.00 0.00 C ATOM 732 O ARG A 797 1.821 -18.152 -1.338 1.00 0.00 O ATOM 733 CB ARG A 797 0.993 -15.916 -3.271 1.00 0.00 C ATOM 734 CG ARG A 797 0.859 -15.653 -4.781 1.00 0.00 C ATOM 735 CD ARG A 797 1.705 -14.503 -5.331 1.00 0.00 C ATOM 736 NE ARG A 797 1.616 -14.461 -6.801 1.00 0.00 N ATOM 737 CZ ARG A 797 2.092 -13.499 -7.585 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.734 -12.457 -7.106 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.923 -13.575 -8.887 1.00 0.00 N ATOM 0 H ARG A 797 2.590 -18.042 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 797 2.977 -15.362 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.314 -16.728 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.646 -15.028 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.127 -16.565 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 797 -0.188 -15.449 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.362 -13.557 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.744 -14.629 -5.026 1.00 0.00 H new ATOM 0 HE ARG A 797 1.146 -15.242 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.881 -12.367 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 797 3.085 -11.739 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 797 1.428 -14.370 -9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 797 2.287 -12.839 -9.492 1.00 0.00 H new ATOM 753 N PHE A 798 2.614 -16.329 -0.278 1.00 0.00 N ATOM 754 CA PHE A 798 2.693 -16.917 1.071 1.00 0.00 C ATOM 755 C PHE A 798 1.497 -16.518 1.954 1.00 0.00 C ATOM 756 O PHE A 798 1.108 -15.347 1.969 1.00 0.00 O ATOM 757 CB PHE A 798 4.024 -16.487 1.718 1.00 0.00 C ATOM 758 CG PHE A 798 5.256 -16.719 0.861 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.670 -18.033 0.571 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.980 -15.633 0.331 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.792 -18.262 -0.243 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.098 -15.861 -0.491 1.00 0.00 C ATOM 763 CZ PHE A 798 7.505 -17.176 -0.774 1.00 0.00 C ATOM 0 H PHE A 798 2.871 -15.342 -0.297 1.00 0.00 H new ATOM 0 HA PHE A 798 2.655 -18.003 0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.965 -15.427 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.146 -17.027 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.122 -18.870 0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.675 -14.622 0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.105 -19.273 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.644 -15.026 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.367 -17.351 -1.401 1.00 0.00 H new ATOM 773 N PHE A 799 0.940 -17.457 2.727 1.00 0.00 N ATOM 774 CA PHE A 799 -0.259 -17.243 3.555 1.00 0.00 C ATOM 775 C PHE A 799 -0.123 -17.787 4.987 1.00 0.00 C ATOM 776 O PHE A 799 0.658 -18.708 5.258 1.00 0.00 O ATOM 777 CB PHE A 799 -1.487 -17.865 2.881 1.00 0.00 C ATOM 778 CG PHE A 799 -1.737 -17.394 1.463 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.528 -16.258 1.220 1.00 0.00 C ATOM 780 CD2 PHE A 799 -1.157 -18.090 0.388 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.696 -15.783 -0.094 1.00 0.00 C ATOM 782 CE2 PHE A 799 -1.339 -17.624 -0.926 1.00 0.00 C ATOM 783 CZ PHE A 799 -2.088 -16.459 -1.166 1.00 0.00 C ATOM 0 H PHE A 799 1.314 -18.403 2.798 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.380 -16.163 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.371 -18.949 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.367 -17.642 3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -3.008 -15.749 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.573 -18.980 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -3.291 -14.901 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.902 -18.163 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 799 -2.196 -16.084 -2.173 1.00 0.00 H new ATOM 793 N LYS A 800 -0.916 -17.224 5.897 1.00 0.00 N ATOM 794 CA LYS A 800 -1.003 -17.591 7.315 1.00 0.00 C ATOM 795 C LYS A 800 -2.465 -17.600 7.809 1.00 0.00 C ATOM 796 O LYS A 800 -3.278 -16.764 7.414 1.00 0.00 O ATOM 797 CB LYS A 800 -0.135 -16.590 8.107 1.00 0.00 C ATOM 798 CG LYS A 800 -0.127 -16.858 9.621 1.00 0.00 C ATOM 799 CD LYS A 800 0.898 -15.963 10.326 1.00 0.00 C ATOM 800 CE LYS A 800 0.874 -16.232 11.837 1.00 0.00 C ATOM 801 NZ LYS A 800 1.823 -15.356 12.567 1.00 0.00 N ATOM 0 H LYS A 800 -1.548 -16.461 5.656 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.633 -18.605 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.888 -16.631 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.501 -15.579 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.120 -16.676 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 800 0.108 -17.906 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.895 -16.155 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.674 -14.914 10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.135 -16.073 12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 800 1.125 -17.276 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.778 -15.567 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.789 -15.526 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.568 -14.360 12.409 1.00 0.00 H new ATOM 815 N CYS A 801 -2.800 -18.550 8.681 1.00 0.00 N ATOM 816 CA CYS A 801 -4.074 -18.661 9.405 1.00 0.00 C ATOM 817 C CYS A 801 -3.940 -18.091 10.841 1.00 0.00 C ATOM 818 O CYS A 801 -2.857 -18.232 11.430 1.00 0.00 O ATOM 819 CB CYS A 801 -4.411 -20.160 9.437 1.00 0.00 C ATOM 820 SG CYS A 801 -6.053 -20.476 10.163 1.00 0.00 S ATOM 0 H CYS A 801 -2.157 -19.306 8.917 1.00 0.00 H new ATOM 0 HA CYS A 801 -4.863 -18.089 8.917 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.380 -20.560 8.424 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.652 -20.690 10.013 1.00 0.00 H new ATOM 825 N PRO A 802 -4.993 -17.492 11.446 1.00 0.00 N ATOM 826 CA PRO A 802 -4.942 -16.927 12.800 1.00 0.00 C ATOM 827 C PRO A 802 -4.542 -17.904 13.928 1.00 0.00 C ATOM 828 O PRO A 802 -4.075 -17.431 14.965 1.00 0.00 O ATOM 829 CB PRO A 802 -6.322 -16.298 13.054 1.00 0.00 C ATOM 830 CG PRO A 802 -7.225 -16.922 11.997 1.00 0.00 C ATOM 831 CD PRO A 802 -6.269 -17.143 10.832 1.00 0.00 C ATOM 0 HA PRO A 802 -4.134 -16.197 12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -6.679 -16.517 14.060 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.288 -15.213 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -7.667 -17.857 12.342 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.048 -16.261 11.726 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.623 -17.940 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.179 -16.245 10.220 1.00 0.00 H new ATOM 839 N CYS A 803 -4.674 -19.232 13.756 1.00 0.00 N ATOM 840 CA CYS A 803 -4.197 -20.224 14.735 1.00 0.00 C ATOM 841 C CYS A 803 -2.661 -20.451 14.706 1.00 0.00 C ATOM 842 O CYS A 803 -2.101 -21.064 15.624 1.00 0.00 O ATOM 843 CB CYS A 803 -4.982 -21.536 14.555 1.00 0.00 C ATOM 844 SG CYS A 803 -4.484 -22.410 13.032 1.00 0.00 S ATOM 0 H CYS A 803 -5.114 -19.647 12.935 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.390 -19.820 15.729 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -4.816 -22.182 15.417 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.050 -21.320 14.519 1.00 0.00 H new ATOM 849 N GLY A 804 -1.977 -19.947 13.667 1.00 0.00 N ATOM 850 CA GLY A 804 -0.540 -20.095 13.411 1.00 0.00 C ATOM 851 C GLY A 804 -0.191 -21.034 12.249 1.00 0.00 C ATOM 852 O GLY A 804 0.970 -21.065 11.843 1.00 0.00 O ATOM 0 H GLY A 804 -2.439 -19.395 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.118 -19.111 13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.059 -20.465 14.317 1.00 0.00 H new ATOM 856 N ASN A 805 -1.152 -21.780 11.690 1.00 0.00 N ATOM 857 CA ASN A 805 -0.931 -22.643 10.514 1.00 0.00 C ATOM 858 C ASN A 805 -0.519 -21.826 9.262 1.00 0.00 C ATOM 859 O ASN A 805 -0.870 -20.651 9.129 1.00 0.00 O ATOM 860 CB ASN A 805 -2.186 -23.502 10.259 1.00 0.00 C ATOM 861 CG ASN A 805 -1.965 -24.649 9.273 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.843 -25.078 9.019 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.021 -25.173 8.689 1.00 0.00 N ATOM 0 H ASN A 805 -2.110 -21.805 12.039 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.094 -23.308 10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.531 -23.913 11.208 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.982 -22.860 9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.909 -25.938 8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.952 -24.815 8.902 1.00 0.00 H new ATOM 870 N ARG A 806 0.234 -22.440 8.346 1.00 0.00 N ATOM 871 CA ARG A 806 0.833 -21.808 7.159 1.00 0.00 C ATOM 872 C ARG A 806 0.512 -22.577 5.868 1.00 0.00 C ATOM 873 O ARG A 806 0.307 -23.795 5.906 1.00 0.00 O ATOM 874 CB ARG A 806 2.366 -21.740 7.343 1.00 0.00 C ATOM 875 CG ARG A 806 2.844 -20.877 8.524 1.00 0.00 C ATOM 876 CD ARG A 806 2.422 -19.401 8.446 1.00 0.00 C ATOM 877 NE ARG A 806 2.819 -18.769 7.177 1.00 0.00 N ATOM 878 CZ ARG A 806 4.004 -18.267 6.856 1.00 0.00 C ATOM 879 NH1 ARG A 806 5.000 -18.218 7.714 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.199 -17.800 5.644 1.00 0.00 N ATOM 0 H ARG A 806 0.455 -23.434 8.410 1.00 0.00 H new ATOM 0 HA ARG A 806 0.409 -20.809 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.746 -22.753 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.810 -21.351 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.458 -21.304 9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.931 -20.929 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.341 -19.329 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.869 -18.854 9.276 1.00 0.00 H new ATOM 0 HE ARG A 806 2.097 -18.710 6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.875 -18.573 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.898 -17.825 7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.443 -17.825 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.107 -17.412 5.387 1.00 0.00 H new ATOM 894 N THR A 807 0.541 -21.878 4.723 1.00 0.00 N ATOM 895 CA THR A 807 0.442 -22.456 3.369 1.00 0.00 C ATOM 896 C THR A 807 0.987 -21.498 2.312 1.00 0.00 C ATOM 897 O THR A 807 1.349 -20.360 2.616 1.00 0.00 O ATOM 898 CB THR A 807 -0.985 -22.954 3.072 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.925 -23.854 1.988 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.967 -21.830 2.722 1.00 0.00 C ATOM 0 H THR A 807 0.637 -20.863 4.711 1.00 0.00 H new ATOM 0 HA THR A 807 1.080 -23.339 3.328 1.00 0.00 H new ATOM 0 HB THR A 807 -1.356 -23.427 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.826 -24.183 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.951 -22.255 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.033 -21.132 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.616 -21.303 1.835 1.00 0.00 H new ATOM 908 N ILE A 808 1.078 -21.967 1.071 1.00 0.00 N ATOM 909 CA ILE A 808 1.634 -21.276 -0.102 1.00 0.00 C ATOM 910 C ILE A 808 0.745 -21.613 -1.311 1.00 0.00 C ATOM 911 O ILE A 808 0.252 -22.739 -1.430 1.00 0.00 O ATOM 912 CB ILE A 808 3.111 -21.693 -0.358 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.961 -21.755 0.937 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.776 -20.742 -1.375 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.432 -22.148 0.738 1.00 0.00 C ATOM 0 H ILE A 808 0.745 -22.902 0.836 1.00 0.00 H new ATOM 0 HA ILE A 808 1.642 -20.200 0.070 1.00 0.00 H new ATOM 0 HB ILE A 808 3.075 -22.703 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.925 -20.780 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.501 -22.469 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.808 -21.050 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.231 -20.779 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.759 -19.724 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.939 -22.162 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.486 -23.138 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.917 -21.423 0.084 1.00 0.00 H new ATOM 927 N SER A 809 0.551 -20.677 -2.235 1.00 0.00 N ATOM 928 CA SER A 809 -0.117 -20.928 -3.526 1.00 0.00 C ATOM 929 C SER A 809 0.568 -20.167 -4.672 1.00 0.00 C ATOM 930 O SER A 809 1.366 -19.257 -4.441 1.00 0.00 O ATOM 931 CB SER A 809 -1.604 -20.550 -3.432 1.00 0.00 C ATOM 932 OG SER A 809 -2.317 -20.979 -4.584 1.00 0.00 O ATOM 0 H SER A 809 0.853 -19.710 -2.116 1.00 0.00 H new ATOM 0 HA SER A 809 -0.037 -21.992 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.041 -21.002 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.701 -19.470 -3.322 1.00 0.00 H new ATOM 0 HG SER A 809 -3.260 -20.727 -4.497 1.00 0.00 H new ATOM 938 N LEU A 810 0.248 -20.522 -5.921 1.00 0.00 N ATOM 939 CA LEU A 810 0.575 -19.729 -7.110 1.00 0.00 C ATOM 940 C LEU A 810 -0.521 -18.688 -7.429 1.00 0.00 C ATOM 941 O LEU A 810 -0.260 -17.724 -8.152 1.00 0.00 O ATOM 942 CB LEU A 810 0.822 -20.690 -8.294 1.00 0.00 C ATOM 943 CG LEU A 810 2.010 -21.662 -8.113 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.099 -22.589 -9.324 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.343 -20.922 -7.936 1.00 0.00 C ATOM 0 H LEU A 810 -0.254 -21.383 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 810 1.482 -19.155 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.083 -21.274 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 810 0.991 -20.098 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 810 1.829 -22.238 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 810 2.937 -23.275 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.174 -23.159 -9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.250 -21.996 -10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.148 -21.647 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.539 -20.309 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.291 -20.284 -7.054 1.00 0.00 H new ATOM 957 N ASP A 811 -1.727 -18.853 -6.870 1.00 0.00 N ATOM 958 CA ASP A 811 -2.845 -17.903 -6.969 1.00 0.00 C ATOM 959 C ASP A 811 -2.863 -16.904 -5.794 1.00 0.00 C ATOM 960 O ASP A 811 -2.216 -17.108 -4.767 1.00 0.00 O ATOM 961 CB ASP A 811 -4.164 -18.697 -7.033 1.00 0.00 C ATOM 962 CG ASP A 811 -5.335 -17.859 -7.575 1.00 0.00 C ATOM 963 OD1 ASP A 811 -5.397 -17.651 -8.808 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.167 -17.385 -6.768 1.00 0.00 O ATOM 0 H ASP A 811 -1.960 -19.678 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.721 -17.311 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -4.026 -19.573 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.413 -19.061 -6.036 1.00 0.00 H new ATOM 969 N ARG A 812 -3.640 -15.832 -5.935 1.00 0.00 N ATOM 970 CA ARG A 812 -3.806 -14.750 -4.949 1.00 0.00 C ATOM 971 C ARG A 812 -4.442 -15.177 -3.606 1.00 0.00 C ATOM 972 O ARG A 812 -4.424 -14.386 -2.660 1.00 0.00 O ATOM 973 CB ARG A 812 -4.528 -13.549 -5.597 1.00 0.00 C ATOM 974 CG ARG A 812 -5.836 -13.829 -6.370 1.00 0.00 C ATOM 975 CD ARG A 812 -7.005 -14.364 -5.528 1.00 0.00 C ATOM 976 NE ARG A 812 -8.176 -14.647 -6.371 1.00 0.00 N ATOM 977 CZ ARG A 812 -9.142 -13.802 -6.717 1.00 0.00 C ATOM 978 NH1 ARG A 812 -9.166 -12.546 -6.318 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.128 -14.225 -7.481 1.00 0.00 N ATOM 0 H ARG A 812 -4.199 -15.681 -6.775 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.800 -14.445 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.751 -12.828 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.830 -13.068 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -6.154 -12.907 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -5.623 -14.548 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.698 -15.272 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -7.271 -13.634 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.256 -15.598 -6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -8.423 -12.187 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.928 -11.933 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.146 -15.193 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.874 -13.584 -7.752 1.00 0.00 H new ATOM 993 N LEU A 813 -4.980 -16.401 -3.506 1.00 0.00 N ATOM 994 CA LEU A 813 -5.572 -16.998 -2.296 1.00 0.00 C ATOM 995 C LEU A 813 -5.728 -18.522 -2.497 1.00 0.00 C ATOM 996 O LEU A 813 -6.167 -18.928 -3.579 1.00 0.00 O ATOM 997 CB LEU A 813 -6.942 -16.332 -2.001 1.00 0.00 C ATOM 998 CG LEU A 813 -7.496 -16.556 -0.578 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.708 -15.759 0.481 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.968 -16.118 -0.532 1.00 0.00 C ATOM 0 H LEU A 813 -5.017 -17.034 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.918 -16.827 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.849 -15.259 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.671 -16.707 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.397 -17.617 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.132 -15.946 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.664 -16.072 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.770 -14.694 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.363 -16.275 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -9.041 -15.062 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.545 -16.707 -1.245 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.399 -19.379 -1.505 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.663 -20.816 -1.583 1.00 0.00 C ATOM 1014 C PRO A 814 -7.162 -21.101 -1.421 1.00 0.00 C ATOM 1015 O PRO A 814 -7.895 -20.320 -0.814 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.841 -21.442 -0.451 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.825 -20.335 0.603 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.762 -19.060 -0.234 1.00 0.00 C ATOM 0 HA PRO A 814 -5.383 -21.234 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.301 -22.355 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.835 -21.704 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.717 -20.362 1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.966 -20.424 1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.278 -18.240 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.730 -18.743 -0.384 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.624 -22.237 -1.955 1.00 0.00 N ATOM 1027 CA LYS A 815 -9.025 -22.675 -1.855 1.00 0.00 C ATOM 1028 C LYS A 815 -9.332 -23.508 -0.597 1.00 0.00 C ATOM 1029 O LYS A 815 -10.482 -23.600 -0.155 1.00 0.00 O ATOM 1030 CB LYS A 815 -9.353 -23.483 -3.117 1.00 0.00 C ATOM 1031 CG LYS A 815 -8.577 -24.811 -3.213 1.00 0.00 C ATOM 1032 CD LYS A 815 -8.914 -25.512 -4.521 1.00 0.00 C ATOM 1033 CE LYS A 815 -8.155 -26.841 -4.648 1.00 0.00 C ATOM 1034 NZ LYS A 815 -8.488 -27.537 -5.919 1.00 0.00 N ATOM 0 H LYS A 815 -7.032 -22.886 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.648 -21.785 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -10.422 -23.693 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -9.131 -22.877 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -7.505 -24.621 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.831 -25.453 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -9.987 -25.696 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -8.661 -24.864 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -7.082 -26.654 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -8.402 -27.485 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -7.959 -28.431 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -9.508 -27.736 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -8.230 -26.932 -6.724 1.00 0.00 H new ATOM 1048 N LYS A 816 -8.308 -24.167 -0.049 1.00 0.00 N ATOM 1049 CA LYS A 816 -8.443 -25.217 0.965 1.00 0.00 C ATOM 1050 C LYS A 816 -8.785 -24.663 2.364 1.00 0.00 C ATOM 1051 O LYS A 816 -8.323 -23.581 2.744 1.00 0.00 O ATOM 1052 CB LYS A 816 -7.159 -26.073 0.995 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.852 -25.252 1.075 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.687 -26.026 1.708 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.335 -27.288 0.916 1.00 0.00 C ATOM 1056 NZ LYS A 816 -3.225 -28.038 1.554 1.00 0.00 N ATOM 0 H LYS A 816 -7.338 -23.981 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 816 -9.289 -25.844 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -7.205 -26.747 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -7.130 -26.695 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.567 -24.937 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -6.035 -24.346 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.812 -25.379 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -4.948 -26.301 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.213 -27.929 0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.053 -27.014 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.012 -28.887 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -2.380 -27.433 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -3.504 -28.320 2.515 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.535 -25.417 3.161 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.680 -25.143 4.595 1.00 0.00 C ATOM 1072 C HIS A 817 -8.388 -25.492 5.372 1.00 0.00 C ATOM 1073 O HIS A 817 -7.526 -26.232 4.884 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.877 -25.927 5.158 1.00 0.00 C ATOM 1075 CG HIS A 817 -12.238 -25.346 4.851 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -13.269 -25.230 5.757 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.694 -24.836 3.663 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -14.322 -24.675 5.132 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -14.021 -24.412 3.843 1.00 0.00 N ATOM 0 H HIS A 817 -10.058 -26.231 2.839 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.860 -24.075 4.721 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.839 -26.944 4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.767 -25.997 6.240 1.00 0.00 H new ATOM 0 HD1 HIS A 817 -13.239 -25.516 6.735 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.129 -24.771 2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -15.275 -24.469 5.596 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.266 -24.970 6.593 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.140 -25.199 7.489 1.00 0.00 C ATOM 1089 C CYS A 818 -7.025 -26.670 7.942 1.00 0.00 C ATOM 1090 O CYS A 818 -8.003 -27.295 8.363 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.312 -24.240 8.672 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.906 -24.383 9.821 1.00 0.00 S ATOM 0 H CYS A 818 -8.974 -24.356 6.996 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.203 -25.002 6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.389 -23.215 8.308 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.241 -24.463 9.196 1.00 0.00 H new ATOM 1097 N SER A 819 -5.807 -27.208 7.909 1.00 0.00 N ATOM 1098 CA SER A 819 -5.483 -28.550 8.401 1.00 0.00 C ATOM 1099 C SER A 819 -5.496 -28.668 9.937 1.00 0.00 C ATOM 1100 O SER A 819 -5.514 -29.788 10.461 1.00 0.00 O ATOM 1101 CB SER A 819 -4.094 -28.961 7.893 1.00 0.00 C ATOM 1102 OG SER A 819 -3.969 -28.822 6.482 1.00 0.00 O ATOM 0 H SER A 819 -4.999 -26.714 7.531 1.00 0.00 H new ATOM 0 HA SER A 819 -6.263 -29.209 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.336 -28.351 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.900 -29.997 8.172 1.00 0.00 H new ATOM 0 HG SER A 819 -3.069 -29.093 6.205 1.00 0.00 H new ATOM 1108 N THR A 820 -5.452 -27.534 10.658 1.00 0.00 N ATOM 1109 CA THR A 820 -5.252 -27.470 12.118 1.00 0.00 C ATOM 1110 C THR A 820 -6.536 -27.124 12.870 1.00 0.00 C ATOM 1111 O THR A 820 -6.785 -27.733 13.912 1.00 0.00 O ATOM 1112 CB THR A 820 -4.119 -26.484 12.433 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.935 -26.978 11.832 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.830 -26.339 13.930 1.00 0.00 C ATOM 0 H THR A 820 -5.557 -26.613 10.232 1.00 0.00 H new ATOM 0 HA THR A 820 -4.966 -28.462 12.469 1.00 0.00 H new ATOM 0 HB THR A 820 -4.430 -25.510 12.055 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.194 -26.364 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.018 -25.627 14.076 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.724 -25.980 14.440 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.542 -27.307 14.340 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.363 -26.198 12.362 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.615 -25.774 13.019 1.00 0.00 C ATOM 1124 C CYS A 821 -9.902 -25.906 12.164 1.00 0.00 C ATOM 1125 O CYS A 821 -11.011 -25.869 12.707 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.438 -24.361 13.602 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.297 -23.048 12.343 1.00 0.00 S ATOM 0 H CYS A 821 -7.184 -25.718 11.480 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.789 -26.487 13.825 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.285 -24.138 14.250 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.546 -24.347 14.228 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.770 -26.135 10.854 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.854 -26.597 9.968 1.00 0.00 C ATOM 1134 C GLY A 822 -11.684 -25.507 9.283 1.00 0.00 C ATOM 1135 O GLY A 822 -12.527 -25.838 8.444 1.00 0.00 O ATOM 0 H GLY A 822 -8.886 -26.002 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.418 -27.230 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.528 -27.224 10.551 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.467 -24.229 9.616 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.146 -23.083 9.001 1.00 0.00 C ATOM 1141 C LEU A 823 -11.409 -22.540 7.756 1.00 0.00 C ATOM 1142 O LEU A 823 -10.433 -23.135 7.286 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.454 -22.021 10.089 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.284 -21.487 10.945 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.112 -20.923 10.122 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.803 -20.390 11.887 1.00 0.00 C ATOM 0 H LEU A 823 -10.799 -23.957 10.337 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.102 -23.412 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.922 -21.168 9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.195 -22.445 10.767 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.896 -22.342 11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.332 -20.569 10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.709 -21.706 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.464 -20.095 9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -10.980 -20.011 12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.226 -19.575 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.572 -20.804 12.539 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.870 -21.398 7.228 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.245 -20.660 6.130 1.00 0.00 C ATOM 1160 C PHE A 824 -11.006 -19.186 6.535 1.00 0.00 C ATOM 1161 O PHE A 824 -11.934 -18.373 6.517 1.00 0.00 O ATOM 1162 CB PHE A 824 -12.147 -20.802 4.900 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.516 -20.267 3.635 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.621 -21.075 2.913 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.793 -18.960 3.185 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.999 -20.584 1.751 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.170 -18.472 2.022 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.270 -19.279 1.307 1.00 0.00 C ATOM 0 H PHE A 824 -12.720 -20.949 7.569 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.262 -21.066 5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.394 -21.854 4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -13.084 -20.276 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.410 -22.078 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.482 -18.334 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.313 -21.210 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.385 -17.471 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.788 -18.898 0.419 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.766 -18.847 6.912 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.336 -17.507 7.376 1.00 0.00 C ATOM 1180 C LYS A 825 -7.888 -17.154 6.947 1.00 0.00 C ATOM 1181 O LYS A 825 -7.163 -16.441 7.652 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.529 -17.376 8.911 1.00 0.00 C ATOM 1183 CG LYS A 825 -10.982 -17.317 9.421 1.00 0.00 C ATOM 1184 CD LYS A 825 -11.722 -16.040 8.995 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.189 -16.040 9.450 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.017 -16.974 8.643 1.00 0.00 N ATOM 0 H LYS A 825 -9.000 -19.520 6.904 1.00 0.00 H new ATOM 0 HA LYS A 825 -9.977 -16.776 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.034 -18.221 9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.014 -16.474 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.526 -18.185 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -10.981 -17.383 10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.214 -15.171 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.680 -15.943 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.243 -16.322 10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.595 -15.032 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -14.765 -16.441 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.417 -17.451 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.449 -17.684 9.268 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.435 -17.659 5.791 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.104 -17.364 5.239 1.00 0.00 C ATOM 1202 C TRP A 826 -5.896 -15.860 4.983 1.00 0.00 C ATOM 1203 O TRP A 826 -6.731 -15.206 4.354 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.871 -18.162 3.949 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.850 -19.649 4.124 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.763 -20.502 3.611 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.881 -20.479 4.834 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.430 -21.799 3.950 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.282 -21.842 4.711 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.703 -20.215 5.562 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.549 -22.893 5.288 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.956 -21.258 6.144 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.381 -22.594 6.010 1.00 0.00 C ATOM 0 H TRP A 826 -7.986 -18.289 5.208 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.372 -17.668 5.987 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.653 -17.906 3.234 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.923 -17.849 3.511 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.623 -20.214 3.025 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.966 -22.621 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.367 -19.195 5.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.878 -23.916 5.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.055 -21.032 6.695 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.808 -23.390 6.463 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.767 -15.332 5.449 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.292 -13.968 5.237 1.00 0.00 C ATOM 1226 C GLU A 827 -2.980 -14.001 4.445 1.00 0.00 C ATOM 1227 O GLU A 827 -2.094 -14.807 4.737 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.082 -13.299 6.610 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.686 -11.818 6.549 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.784 -10.943 5.932 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -5.663 -10.448 6.676 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.775 -10.737 4.695 1.00 0.00 O ATOM 0 H GLU A 827 -4.121 -15.878 6.019 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.024 -13.395 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.001 -13.391 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.309 -13.845 7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.465 -11.462 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.771 -11.713 5.966 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.837 -13.115 3.458 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.615 -12.972 2.662 1.00 0.00 C ATOM 1241 C ARG A 828 -0.492 -12.349 3.511 1.00 0.00 C ATOM 1242 O ARG A 828 -0.676 -11.286 4.106 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.935 -12.140 1.400 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.740 -11.912 0.460 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.212 -13.199 -0.194 1.00 0.00 C ATOM 1246 NE ARG A 828 1.254 -13.241 -0.132 1.00 0.00 N ATOM 1247 CZ ARG A 828 2.129 -12.843 -1.047 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.776 -12.405 -2.232 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.406 -12.892 -0.760 1.00 0.00 N ATOM 0 H ARG A 828 -3.576 -12.467 3.185 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.255 -13.949 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.727 -12.640 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.326 -11.171 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -1.033 -11.212 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.068 -11.443 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.629 -14.069 0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.540 -13.248 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 828 1.651 -13.626 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.789 -12.359 -2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 828 2.488 -12.111 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 828 3.711 -13.231 0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.095 -12.591 -1.449 1.00 0.00 H new ATOM 1263 N VAL A 829 0.678 -12.994 3.548 1.00 0.00 N ATOM 1264 CA VAL A 829 1.889 -12.547 4.273 1.00 0.00 C ATOM 1265 C VAL A 829 3.119 -12.502 3.354 1.00 0.00 C ATOM 1266 O VAL A 829 3.094 -13.005 2.229 1.00 0.00 O ATOM 1267 CB VAL A 829 2.170 -13.408 5.531 1.00 0.00 C ATOM 1268 CG1 VAL A 829 1.050 -13.256 6.573 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.385 -14.900 5.224 1.00 0.00 C ATOM 0 H VAL A 829 0.821 -13.877 3.057 1.00 0.00 H new ATOM 0 HA VAL A 829 1.688 -11.531 4.612 1.00 0.00 H new ATOM 0 HB VAL A 829 3.106 -13.024 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.277 -13.872 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.975 -12.212 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 829 0.103 -13.576 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.576 -15.439 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.493 -15.305 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.238 -15.015 4.556 1.00 0.00 H new ATOM 1279 N GLY A 830 4.195 -11.861 3.818 1.00 0.00 N ATOM 1280 CA GLY A 830 5.410 -11.593 3.040 1.00 0.00 C ATOM 1281 C GLY A 830 6.458 -12.714 3.051 1.00 0.00 C ATOM 1282 O GLY A 830 6.154 -13.876 3.311 1.00 0.00 O ATOM 0 H GLY A 830 4.248 -11.504 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.124 -11.396 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.872 -10.683 3.422 1.00 0.00 H new ATOM 1286 N MET A 831 7.691 -12.339 2.698 1.00 0.00 N ATOM 1287 CA MET A 831 8.831 -13.242 2.485 1.00 0.00 C ATOM 1288 C MET A 831 9.328 -13.881 3.793 1.00 0.00 C ATOM 1289 O MET A 831 9.267 -13.273 4.866 1.00 0.00 O ATOM 1290 CB MET A 831 9.963 -12.465 1.787 1.00 0.00 C ATOM 1291 CG MET A 831 10.977 -13.368 1.080 1.00 0.00 C ATOM 1292 SD MET A 831 12.337 -12.446 0.316 1.00 0.00 S ATOM 1293 CE MET A 831 13.220 -13.825 -0.453 1.00 0.00 C ATOM 0 H MET A 831 7.934 -11.360 2.546 1.00 0.00 H new ATOM 0 HA MET A 831 8.501 -14.065 1.851 1.00 0.00 H new ATOM 0 HB2 MET A 831 9.528 -11.781 1.059 1.00 0.00 H new ATOM 0 HB3 MET A 831 10.484 -11.856 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 831 11.386 -14.078 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.465 -13.950 0.314 1.00 0.00 H new ATOM 0 HE1 MET A 831 14.098 -13.448 -0.977 1.00 0.00 H new ATOM 0 HE2 MET A 831 13.532 -14.532 0.316 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.563 -14.328 -1.163 1.00 0.00 H new ATOM 1303 N LEU A 832 9.877 -15.095 3.692 1.00 0.00 N ATOM 1304 CA LEU A 832 10.367 -15.904 4.820 1.00 0.00 C ATOM 1305 C LEU A 832 11.791 -15.519 5.283 1.00 0.00 C ATOM 1306 O LEU A 832 12.374 -16.201 6.126 1.00 0.00 O ATOM 1307 CB LEU A 832 10.281 -17.402 4.425 1.00 0.00 C ATOM 1308 CG LEU A 832 8.879 -18.025 4.252 1.00 0.00 C ATOM 1309 CD1 LEU A 832 8.016 -17.866 5.510 1.00 0.00 C ATOM 1310 CD2 LEU A 832 8.103 -17.530 3.023 1.00 0.00 C ATOM 0 H LEU A 832 9.998 -15.561 2.793 1.00 0.00 H new ATOM 0 HA LEU A 832 9.730 -15.705 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 832 10.823 -17.532 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 832 10.812 -17.978 5.183 1.00 0.00 H new ATOM 0 HG LEU A 832 9.083 -19.082 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 832 7.039 -18.319 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 832 8.504 -18.359 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 832 7.890 -16.807 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 832 7.131 -18.022 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 832 7.961 -16.451 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 832 8.665 -17.765 2.119 1.00 0.00 H new ATOM 1322 N LYS A 833 12.374 -14.457 4.707 1.00 0.00 N ATOM 1323 CA LYS A 833 13.709 -13.882 5.004 1.00 0.00 C ATOM 1324 C LYS A 833 14.907 -14.764 4.570 1.00 0.00 C ATOM 1325 O LYS A 833 16.065 -14.406 4.805 1.00 0.00 O ATOM 1326 CB LYS A 833 13.814 -13.452 6.485 1.00 0.00 C ATOM 1327 CG LYS A 833 12.687 -12.543 7.021 1.00 0.00 C ATOM 1328 CD LYS A 833 12.652 -11.122 6.433 1.00 0.00 C ATOM 1329 CE LYS A 833 11.874 -11.008 5.118 1.00 0.00 C ATOM 1330 NZ LYS A 833 11.821 -9.598 4.646 1.00 0.00 N ATOM 0 H LYS A 833 11.899 -13.936 3.970 1.00 0.00 H new ATOM 0 HA LYS A 833 13.786 -12.993 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 833 13.848 -14.352 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 833 14.764 -12.935 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 833 11.729 -13.024 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 833 12.787 -12.468 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 833 12.207 -10.448 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 833 13.675 -10.783 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 833 12.345 -11.631 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 833 10.861 -11.386 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 11.288 -9.550 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 11.350 -9.010 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 12.788 -9.247 4.491 1.00 0.00 H new ATOM 1344 N GLU A 834 14.636 -15.883 3.894 1.00 0.00 N ATOM 1345 CA GLU A 834 15.590 -16.853 3.342 1.00 0.00 C ATOM 1346 C GLU A 834 14.862 -17.819 2.393 1.00 0.00 C ATOM 1347 O GLU A 834 13.699 -18.167 2.620 1.00 0.00 O ATOM 1348 CB GLU A 834 16.344 -17.621 4.447 1.00 0.00 C ATOM 1349 CG GLU A 834 15.445 -18.377 5.440 1.00 0.00 C ATOM 1350 CD GLU A 834 16.281 -19.102 6.507 1.00 0.00 C ATOM 1351 OE1 GLU A 834 16.723 -18.447 7.479 1.00 0.00 O ATOM 1352 OE2 GLU A 834 16.506 -20.329 6.385 1.00 0.00 O ATOM 0 H GLU A 834 13.672 -16.157 3.703 1.00 0.00 H new ATOM 0 HA GLU A 834 16.342 -16.301 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 834 17.021 -18.334 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 834 16.961 -16.915 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 834 14.763 -17.677 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 834 14.832 -19.100 4.902 1.00 0.00 H new ATOM 1359 N LYS A 835 15.521 -18.249 1.311 1.00 0.00 N ATOM 1360 CA LYS A 835 14.936 -19.151 0.303 1.00 0.00 C ATOM 1361 C LYS A 835 14.922 -20.633 0.734 1.00 0.00 C ATOM 1362 O LYS A 835 14.004 -21.370 0.361 1.00 0.00 O ATOM 1363 CB LYS A 835 15.699 -18.981 -1.021 1.00 0.00 C ATOM 1364 CG LYS A 835 15.584 -17.548 -1.580 1.00 0.00 C ATOM 1365 CD LYS A 835 16.343 -17.367 -2.902 1.00 0.00 C ATOM 1366 CE LYS A 835 15.693 -18.148 -4.054 1.00 0.00 C ATOM 1367 NZ LYS A 835 16.405 -17.900 -5.330 1.00 0.00 N ATOM 0 H LYS A 835 16.483 -17.981 1.105 1.00 0.00 H new ATOM 0 HA LYS A 835 13.890 -18.870 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 835 16.750 -19.226 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 835 15.312 -19.688 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 835 14.532 -17.305 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 835 15.970 -16.843 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 835 16.378 -16.308 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 835 17.374 -17.699 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 835 15.705 -19.214 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 835 14.648 -17.855 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 15.947 -18.438 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 16.372 -16.885 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 17.396 -18.202 -5.239 1.00 0.00 H new ATOM 1381 N THR A 836 15.917 -21.039 1.535 1.00 0.00 N ATOM 1382 CA THR A 836 16.180 -22.398 2.048 1.00 0.00 C ATOM 1383 C THR A 836 17.400 -22.395 2.980 1.00 0.00 C ATOM 1384 O THR A 836 18.206 -21.463 2.947 1.00 0.00 O ATOM 1385 CB THR A 836 16.317 -23.420 0.897 1.00 0.00 C ATOM 1386 OG1 THR A 836 16.310 -24.724 1.434 1.00 0.00 O ATOM 1387 CG2 THR A 836 17.577 -23.220 0.050 1.00 0.00 C ATOM 0 H THR A 836 16.616 -20.376 1.870 1.00 0.00 H new ATOM 0 HA THR A 836 15.321 -22.716 2.639 1.00 0.00 H new ATOM 0 HB THR A 836 15.468 -23.266 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 836 16.395 -25.377 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 836 17.608 -23.972 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 836 17.561 -22.226 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 836 18.460 -23.320 0.682 1.00 0.00 H new ATOM 1395 N GLY A 837 17.538 -23.440 3.793 1.00 0.00 N ATOM 1396 CA GLY A 837 18.691 -23.710 4.669 1.00 0.00 C ATOM 1397 C GLY A 837 19.758 -24.598 3.993 1.00 0.00 C ATOM 1398 O GLY A 837 19.831 -24.612 2.757 1.00 0.00 O ATOM 0 H GLY A 837 16.819 -24.159 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 837 19.146 -22.765 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 837 18.344 -24.197 5.580 1.00 0.00 H new ATOM 1402 N PRO A 838 20.593 -25.332 4.764 1.00 0.00 N ATOM 1403 CA PRO A 838 21.563 -26.288 4.221 1.00 0.00 C ATOM 1404 C PRO A 838 20.860 -27.544 3.678 1.00 0.00 C ATOM 1405 O PRO A 838 19.686 -27.796 3.958 1.00 0.00 O ATOM 1406 CB PRO A 838 22.501 -26.625 5.388 1.00 0.00 C ATOM 1407 CG PRO A 838 21.578 -26.490 6.601 1.00 0.00 C ATOM 1408 CD PRO A 838 20.661 -25.330 6.219 1.00 0.00 C ATOM 0 HA PRO A 838 22.113 -25.871 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 838 22.913 -27.630 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 838 23.346 -25.938 5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 838 21.014 -27.405 6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 838 22.139 -26.276 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 838 19.670 -25.456 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 838 21.055 -24.384 6.590 1.00 0.00 H new ATOM 1416 N LYS A 839 21.592 -28.355 2.907 1.00 0.00 N ATOM 1417 CA LYS A 839 21.072 -29.610 2.328 1.00 0.00 C ATOM 1418 C LYS A 839 20.644 -30.618 3.422 1.00 0.00 C ATOM 1419 O LYS A 839 21.397 -30.876 4.370 1.00 0.00 O ATOM 1420 CB LYS A 839 22.117 -30.222 1.371 1.00 0.00 C ATOM 1421 CG LYS A 839 22.380 -29.332 0.142 1.00 0.00 C ATOM 1422 CD LYS A 839 23.277 -30.009 -0.908 1.00 0.00 C ATOM 1423 CE LYS A 839 24.703 -30.259 -0.395 1.00 0.00 C ATOM 1424 NZ LYS A 839 25.566 -30.860 -1.446 1.00 0.00 N ATOM 0 H LYS A 839 22.564 -28.164 2.663 1.00 0.00 H new ATOM 0 HA LYS A 839 20.174 -29.374 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 839 23.052 -30.378 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 839 21.773 -31.202 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 839 21.428 -29.066 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 839 22.848 -28.402 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 839 22.830 -30.958 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 839 23.320 -29.384 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 839 25.139 -29.318 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 839 24.668 -30.921 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 26.521 -31.015 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 25.162 -31.769 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 25.619 -30.217 -2.261 1.00 0.00 H new ATOM 1438 N LEU A 840 19.442 -31.191 3.282 1.00 0.00 N ATOM 1439 CA LEU A 840 18.764 -32.022 4.288 1.00 0.00 C ATOM 1440 C LEU A 840 17.640 -32.856 3.643 1.00 0.00 C ATOM 1441 O LEU A 840 17.016 -32.418 2.671 1.00 0.00 O ATOM 1442 CB LEU A 840 18.230 -31.089 5.401 1.00 0.00 C ATOM 1443 CG LEU A 840 17.576 -31.787 6.611 1.00 0.00 C ATOM 1444 CD1 LEU A 840 18.554 -32.707 7.359 1.00 0.00 C ATOM 1445 CD2 LEU A 840 17.038 -30.720 7.576 1.00 0.00 C ATOM 0 H LEU A 840 18.892 -31.085 2.430 1.00 0.00 H new ATOM 0 HA LEU A 840 19.462 -32.736 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 840 19.056 -30.477 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 840 17.500 -30.410 4.960 1.00 0.00 H new ATOM 0 HG LEU A 840 16.767 -32.412 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 840 18.043 -33.173 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 840 18.917 -33.480 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 840 19.397 -32.121 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 840 16.574 -31.206 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 840 17.860 -30.090 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 840 16.298 -30.106 7.063 1.00 0.00 H new ATOM 1457 N GLY A 841 17.373 -34.048 4.192 1.00 0.00 N ATOM 1458 CA GLY A 841 16.321 -34.969 3.725 1.00 0.00 C ATOM 1459 C GLY A 841 16.755 -35.855 2.549 1.00 0.00 C ATOM 1460 O GLY A 841 17.942 -35.941 2.221 1.00 0.00 O ATOM 0 H GLY A 841 17.893 -34.410 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 841 16.014 -35.606 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 841 15.448 -34.388 3.428 1.00 0.00 H new ATOM 1464 N GLY A 842 15.786 -36.539 1.924 1.00 0.00 N ATOM 1465 CA GLY A 842 15.990 -37.461 0.792 1.00 0.00 C ATOM 1466 C GLY A 842 14.679 -38.026 0.241 1.00 0.00 C ATOM 1467 O GLY A 842 14.296 -37.658 -0.890 1.00 0.00 O ATOM 1468 OXT GLY A 842 14.042 -38.842 0.945 1.00 0.00 O ATOM 0 H GLY A 842 14.807 -36.465 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 842 16.518 -36.938 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 842 16.629 -38.284 1.111 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.367 -35.599 -11.382 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.174 -22.519 11.323 1.00 0.00 ZN