USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 804 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 843 TYR OH : rot 180:sc= -0.864 USER MOD Set 2.1: A 818 LYS NZ :NH3+ -167:sc=-0.00748 (180deg=-0.136) USER MOD Set 2.2: A 827 TYR OH : rot 150:sc= 0 USER MOD Set 3.1: A 788 SER OG : rot -140:sc= -0.619 USER MOD Set 3.2: A 789 LYS NZ :NH3+ 162:sc= 0.567 (180deg=0.398) USER MOD Single : A 778 SER OG : rot 180:sc= 0 USER MOD Single : A 779 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 782 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 THR OG1 : rot 180:sc= 0 USER MOD Single : A 794 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 805 ASN : amide:sc= -2.48! C(o=-2.5!,f=-5.4!) USER MOD Single : A 806 HIS : no HE2:sc= -1.93! K(o=-1.9!,f=-2.5) USER MOD Single : A 807 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 811 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.65) USER MOD Single : A 812 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 816 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 820 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 SER OG : rot -42:sc= 0.455 USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 833 SER OG : rot 180:sc= -0.107 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl -137:sc= 0 (180deg=-0.0326) USER MOD Single : A 841 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0212) USER MOD Single : A 842 GLN : amide:sc= -2.98! K(o=-3!,f=-1.2) USER MOD Single : A 846 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 849 LYS NZ :NH3+ 156:sc= -0.0991 (180deg=-0.537) USER MOD Single : A 850 ASN : amide:sc= -1.82! K(o=-1.8!,f=-1) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 857 SER OG : rot 23:sc= 0.932 USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 777 -3.577 -14.722 -14.113 1.00 0.00 N ATOM 2 CA GLY A 777 -3.819 -16.078 -13.656 1.00 0.00 C ATOM 3 C GLY A 777 -4.477 -16.122 -12.291 1.00 0.00 C ATOM 4 O GLY A 777 -5.129 -15.163 -11.878 1.00 0.00 O ATOM 0 HA2 GLY A 777 -4.452 -16.594 -14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 777 -2.874 -16.619 -13.618 1.00 0.00 H new ATOM 8 N SER A 778 -4.308 -17.239 -11.590 1.00 0.00 N ATOM 9 CA SER A 778 -4.896 -17.406 -10.266 1.00 0.00 C ATOM 10 C SER A 778 -3.881 -17.074 -9.176 1.00 0.00 C ATOM 11 O SER A 778 -2.897 -17.789 -8.990 1.00 0.00 O ATOM 12 CB SER A 778 -5.403 -18.838 -10.087 1.00 0.00 C ATOM 13 OG SER A 778 -6.340 -19.176 -11.095 1.00 0.00 O ATOM 0 H SER A 778 -3.769 -18.041 -11.917 1.00 0.00 H new ATOM 0 HA SER A 778 -5.736 -16.717 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 778 -4.563 -19.532 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 778 -5.866 -18.944 -9.106 1.00 0.00 H new ATOM 0 HG SER A 778 -6.648 -20.096 -10.960 1.00 0.00 H new ATOM 19 N SER A 779 -4.129 -15.983 -8.458 1.00 0.00 N ATOM 20 CA SER A 779 -3.237 -15.553 -7.388 1.00 0.00 C ATOM 21 C SER A 779 -2.931 -16.707 -6.438 1.00 0.00 C ATOM 22 O SER A 779 -1.781 -16.924 -6.057 1.00 0.00 O ATOM 23 CB SER A 779 -3.859 -14.390 -6.612 1.00 0.00 C ATOM 24 OG SER A 779 -5.020 -14.807 -5.914 1.00 0.00 O ATOM 0 H SER A 779 -4.940 -15.381 -8.598 1.00 0.00 H new ATOM 0 HA SER A 779 -2.303 -15.220 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 779 -3.131 -13.988 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 779 -4.114 -13.584 -7.300 1.00 0.00 H new ATOM 0 HG SER A 779 -5.398 -14.047 -5.425 1.00 0.00 H new ATOM 30 N GLY A 780 -3.969 -17.446 -6.060 1.00 0.00 N ATOM 31 CA GLY A 780 -3.792 -18.569 -5.159 1.00 0.00 C ATOM 32 C GLY A 780 -4.820 -18.585 -4.044 1.00 0.00 C ATOM 33 O GLY A 780 -5.192 -17.537 -3.518 1.00 0.00 O ATOM 0 H GLY A 780 -4.930 -17.287 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 780 -3.859 -19.499 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 780 -2.792 -18.530 -4.727 1.00 0.00 H new ATOM 37 N SER A 781 -5.281 -19.779 -3.684 1.00 0.00 N ATOM 38 CA SER A 781 -6.276 -19.928 -2.629 1.00 0.00 C ATOM 39 C SER A 781 -5.642 -20.487 -1.359 1.00 0.00 C ATOM 40 O SER A 781 -5.890 -19.993 -0.259 1.00 0.00 O ATOM 41 CB SER A 781 -7.409 -20.845 -3.093 1.00 0.00 C ATOM 42 OG SER A 781 -8.491 -20.823 -2.178 1.00 0.00 O ATOM 0 H SER A 781 -4.981 -20.657 -4.108 1.00 0.00 H new ATOM 0 HA SER A 781 -6.684 -18.942 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 781 -7.755 -20.531 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 781 -7.037 -21.864 -3.196 1.00 0.00 H new ATOM 0 HG SER A 781 -9.202 -21.416 -2.498 1.00 0.00 H new ATOM 48 N SER A 782 -4.822 -21.520 -1.520 1.00 0.00 N ATOM 49 CA SER A 782 -4.154 -22.150 -0.387 1.00 0.00 C ATOM 50 C SER A 782 -2.920 -22.921 -0.844 1.00 0.00 C ATOM 51 O SER A 782 -2.795 -23.277 -2.015 1.00 0.00 O ATOM 52 CB SER A 782 -5.117 -23.090 0.341 1.00 0.00 C ATOM 53 OG SER A 782 -4.518 -23.631 1.506 1.00 0.00 O ATOM 0 H SER A 782 -4.604 -21.939 -2.424 1.00 0.00 H new ATOM 0 HA SER A 782 -3.836 -21.365 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 782 -6.023 -22.549 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 782 -5.416 -23.898 -0.327 1.00 0.00 H new ATOM 0 HG SER A 782 -5.154 -24.227 1.954 1.00 0.00 H new ATOM 59 N GLY A 783 -2.009 -23.176 0.091 1.00 0.00 N ATOM 60 CA GLY A 783 -0.796 -23.904 -0.234 1.00 0.00 C ATOM 61 C GLY A 783 0.453 -23.076 -0.010 1.00 0.00 C ATOM 62 O GLY A 783 0.998 -22.497 -0.950 1.00 0.00 O ATOM 0 H GLY A 783 -2.090 -22.891 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 783 -0.744 -24.807 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 783 -0.835 -24.223 -1.276 1.00 0.00 H new ATOM 66 N GLU A 784 0.908 -23.018 1.238 1.00 0.00 N ATOM 67 CA GLU A 784 2.100 -22.252 1.581 1.00 0.00 C ATOM 68 C GLU A 784 3.230 -23.175 2.029 1.00 0.00 C ATOM 69 O GLU A 784 3.141 -23.823 3.072 1.00 0.00 O ATOM 70 CB GLU A 784 1.784 -21.242 2.686 1.00 0.00 C ATOM 71 CG GLU A 784 0.953 -21.820 3.819 1.00 0.00 C ATOM 72 CD GLU A 784 -0.489 -22.064 3.419 1.00 0.00 C ATOM 73 OE1 GLU A 784 -1.214 -21.076 3.180 1.00 0.00 O ATOM 74 OE2 GLU A 784 -0.893 -23.244 3.344 1.00 0.00 O ATOM 0 H GLU A 784 0.469 -23.492 2.027 1.00 0.00 H new ATOM 0 HA GLU A 784 2.424 -21.715 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 784 2.719 -20.856 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.252 -20.395 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 784 1.398 -22.759 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.980 -21.138 4.669 1.00 0.00 H new ATOM 81 N LYS A 785 4.291 -23.230 1.232 1.00 0.00 N ATOM 82 CA LYS A 785 5.440 -24.073 1.544 1.00 0.00 C ATOM 83 C LYS A 785 6.640 -23.226 1.955 1.00 0.00 C ATOM 84 O LYS A 785 7.165 -23.373 3.058 1.00 0.00 O ATOM 85 CB LYS A 785 5.804 -24.941 0.338 1.00 0.00 C ATOM 86 CG LYS A 785 6.658 -26.146 0.692 1.00 0.00 C ATOM 87 CD LYS A 785 6.981 -26.981 -0.536 1.00 0.00 C ATOM 88 CE LYS A 785 8.242 -26.489 -1.229 1.00 0.00 C ATOM 89 NZ LYS A 785 8.607 -27.345 -2.392 1.00 0.00 N ATOM 0 H LYS A 785 4.380 -22.701 0.365 1.00 0.00 H new ATOM 0 HA LYS A 785 5.170 -24.718 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 785 4.888 -25.284 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 785 6.336 -24.330 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 785 7.584 -25.812 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 785 6.135 -26.761 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 785 7.108 -28.024 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 785 6.144 -26.944 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 785 8.094 -25.463 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 785 9.066 -26.475 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 9.472 -26.976 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 8.773 -28.319 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 7.831 -27.338 -3.085 1.00 0.00 H new ATOM 103 N GLU A 786 7.067 -22.339 1.061 1.00 0.00 N ATOM 104 CA GLU A 786 8.205 -21.469 1.333 1.00 0.00 C ATOM 105 C GLU A 786 7.792 -20.001 1.281 1.00 0.00 C ATOM 106 O GLU A 786 7.591 -19.439 0.204 1.00 0.00 O ATOM 107 CB GLU A 786 9.327 -21.730 0.326 1.00 0.00 C ATOM 108 CG GLU A 786 9.831 -23.164 0.334 1.00 0.00 C ATOM 109 CD GLU A 786 11.058 -23.356 -0.535 1.00 0.00 C ATOM 110 OE1 GLU A 786 12.170 -23.031 -0.070 1.00 0.00 O ATOM 111 OE2 GLU A 786 10.907 -23.831 -1.680 1.00 0.00 O ATOM 0 H GLU A 786 6.642 -22.204 0.143 1.00 0.00 H new ATOM 0 HA GLU A 786 8.568 -21.691 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 786 8.970 -21.485 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 786 10.160 -21.060 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 786 10.066 -23.457 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 786 9.038 -23.826 -0.013 1.00 0.00 H new ATOM 118 N ASP A 787 7.666 -19.386 2.452 1.00 0.00 N ATOM 119 CA ASP A 787 7.277 -17.984 2.542 1.00 0.00 C ATOM 120 C ASP A 787 8.154 -17.118 1.642 1.00 0.00 C ATOM 121 O ASP A 787 7.651 -16.328 0.843 1.00 0.00 O ATOM 122 CB ASP A 787 7.373 -17.497 3.989 1.00 0.00 C ATOM 123 CG ASP A 787 8.755 -17.700 4.577 1.00 0.00 C ATOM 124 OD1 ASP A 787 9.106 -18.859 4.884 1.00 0.00 O ATOM 125 OD2 ASP A 787 9.487 -16.700 4.731 1.00 0.00 O ATOM 0 H ASP A 787 7.828 -19.837 3.352 1.00 0.00 H new ATOM 0 HA ASP A 787 6.244 -17.897 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 787 7.115 -16.439 4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 787 6.641 -18.028 4.597 1.00 0.00 H new ATOM 130 N SER A 788 9.467 -17.273 1.778 1.00 0.00 N ATOM 131 CA SER A 788 10.414 -16.502 0.980 1.00 0.00 C ATOM 132 C SER A 788 9.965 -16.430 -0.476 1.00 0.00 C ATOM 133 O SER A 788 9.944 -15.356 -1.079 1.00 0.00 O ATOM 134 CB SER A 788 11.809 -17.124 1.065 1.00 0.00 C ATOM 135 OG SER A 788 11.809 -18.449 0.563 1.00 0.00 O ATOM 0 H SER A 788 9.899 -17.925 2.433 1.00 0.00 H new ATOM 0 HA SER A 788 10.450 -15.489 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 788 12.516 -16.517 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 788 12.148 -17.124 2.101 1.00 0.00 H new ATOM 0 HG SER A 788 12.377 -19.013 1.128 1.00 0.00 H new ATOM 141 N LYS A 789 9.606 -17.580 -1.036 1.00 0.00 N ATOM 142 CA LYS A 789 9.156 -17.650 -2.421 1.00 0.00 C ATOM 143 C LYS A 789 7.823 -16.930 -2.597 1.00 0.00 C ATOM 144 O LYS A 789 7.670 -16.092 -3.486 1.00 0.00 O ATOM 145 CB LYS A 789 9.023 -19.109 -2.863 1.00 0.00 C ATOM 146 CG LYS A 789 10.333 -19.730 -3.314 1.00 0.00 C ATOM 147 CD LYS A 789 11.161 -20.205 -2.132 1.00 0.00 C ATOM 148 CE LYS A 789 12.651 -20.137 -2.432 1.00 0.00 C ATOM 149 NZ LYS A 789 13.471 -20.579 -1.271 1.00 0.00 N ATOM 0 H LYS A 789 9.618 -18.477 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 789 9.901 -17.155 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 789 8.618 -19.694 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 789 8.303 -19.168 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 789 10.129 -20.570 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 789 10.903 -19.001 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 789 10.936 -19.592 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 789 10.886 -21.229 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 789 12.877 -20.763 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 789 12.921 -19.116 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 789 14.432 -20.811 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 789 13.517 -19.815 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 789 13.038 -21.421 -0.840 1.00 0.00 H new ATOM 163 N THR A 790 6.860 -17.261 -1.742 1.00 0.00 N ATOM 164 CA THR A 790 5.540 -16.646 -1.803 1.00 0.00 C ATOM 165 C THR A 790 5.501 -15.346 -1.007 1.00 0.00 C ATOM 166 O THR A 790 4.720 -15.206 -0.066 1.00 0.00 O ATOM 167 CB THR A 790 4.453 -17.596 -1.265 1.00 0.00 C ATOM 168 OG1 THR A 790 4.696 -18.930 -1.726 1.00 0.00 O ATOM 169 CG2 THR A 790 3.070 -17.144 -1.712 1.00 0.00 C ATOM 0 H THR A 790 6.970 -17.951 -0.999 1.00 0.00 H new ATOM 0 HA THR A 790 5.339 -16.432 -2.853 1.00 0.00 H new ATOM 0 HB THR A 790 4.491 -17.576 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 790 4.002 -19.528 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 790 2.319 -17.830 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 790 2.876 -16.140 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 790 3.023 -17.138 -2.801 1.00 0.00 H new ATOM 177 N ARG A 791 6.349 -14.398 -1.392 1.00 0.00 N ATOM 178 CA ARG A 791 6.412 -13.109 -0.714 1.00 0.00 C ATOM 179 C ARG A 791 5.439 -12.115 -1.343 1.00 0.00 C ATOM 180 O ARG A 791 5.059 -11.124 -0.721 1.00 0.00 O ATOM 181 CB ARG A 791 7.835 -12.549 -0.767 1.00 0.00 C ATOM 182 CG ARG A 791 7.926 -11.079 -0.390 1.00 0.00 C ATOM 183 CD ARG A 791 9.365 -10.590 -0.401 1.00 0.00 C ATOM 184 NE ARG A 791 9.793 -10.178 -1.735 1.00 0.00 N ATOM 185 CZ ARG A 791 10.284 -11.017 -2.641 1.00 0.00 C ATOM 186 NH1 ARG A 791 10.408 -12.306 -2.357 1.00 0.00 N ATOM 187 NH2 ARG A 791 10.652 -10.567 -3.834 1.00 0.00 N ATOM 0 H ARG A 791 7.002 -14.498 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 791 6.127 -13.261 0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 791 8.469 -13.127 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 791 8.232 -12.682 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 791 7.334 -10.486 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 791 7.497 -10.929 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 791 9.468 -9.752 0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 791 10.020 -11.382 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 791 9.711 -9.193 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 791 10.126 -12.656 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 791 10.785 -12.948 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 791 10.558 -9.576 -4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 791 11.029 -11.212 -4.528 1.00 0.00 H new ATOM 201 N GLY A 792 5.041 -12.388 -2.581 1.00 0.00 N ATOM 202 CA GLY A 792 4.117 -11.509 -3.274 1.00 0.00 C ATOM 203 C GLY A 792 2.866 -11.229 -2.465 1.00 0.00 C ATOM 204 O GLY A 792 2.402 -10.091 -2.404 1.00 0.00 O ATOM 0 H GLY A 792 5.342 -13.202 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 792 4.617 -10.568 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 792 3.837 -11.959 -4.226 1.00 0.00 H new ATOM 208 N GLU A 793 2.319 -12.269 -1.844 1.00 0.00 N ATOM 209 CA GLU A 793 1.113 -12.128 -1.037 1.00 0.00 C ATOM 210 C GLU A 793 1.370 -11.236 0.174 1.00 0.00 C ATOM 211 O GLU A 793 0.487 -10.501 0.617 1.00 0.00 O ATOM 212 CB GLU A 793 0.617 -13.501 -0.577 1.00 0.00 C ATOM 213 CG GLU A 793 1.685 -14.336 0.108 1.00 0.00 C ATOM 214 CD GLU A 793 1.101 -15.397 1.020 1.00 0.00 C ATOM 215 OE1 GLU A 793 -0.128 -15.376 1.241 1.00 0.00 O ATOM 216 OE2 GLU A 793 1.872 -16.246 1.514 1.00 0.00 O ATOM 0 H GLU A 793 2.692 -13.218 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 793 0.346 -11.661 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 793 -0.220 -13.365 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 793 0.238 -14.049 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 793 2.307 -14.815 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 793 2.336 -13.682 0.688 1.00 0.00 H new ATOM 223 N LYS A 794 2.585 -11.307 0.707 1.00 0.00 N ATOM 224 CA LYS A 794 2.961 -10.507 1.867 1.00 0.00 C ATOM 225 C LYS A 794 2.932 -9.019 1.533 1.00 0.00 C ATOM 226 O LYS A 794 2.337 -8.222 2.258 1.00 0.00 O ATOM 227 CB LYS A 794 4.355 -10.905 2.356 1.00 0.00 C ATOM 228 CG LYS A 794 4.708 -10.332 3.718 1.00 0.00 C ATOM 229 CD LYS A 794 3.924 -11.012 4.828 1.00 0.00 C ATOM 230 CE LYS A 794 4.194 -10.364 6.178 1.00 0.00 C ATOM 231 NZ LYS A 794 3.798 -11.250 7.307 1.00 0.00 N ATOM 0 H LYS A 794 3.327 -11.911 0.354 1.00 0.00 H new ATOM 0 HA LYS A 794 2.237 -10.697 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 794 4.419 -11.992 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 794 5.095 -10.572 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 794 5.776 -10.453 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 794 4.502 -9.262 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 794 2.858 -10.962 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 794 4.191 -12.068 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 794 5.254 -10.123 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 794 3.647 -9.423 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 3.998 -10.773 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 2.781 -11.460 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 4.338 -12.137 7.258 1.00 0.00 H new ATOM 245 N ILE A 795 3.578 -8.652 0.431 1.00 0.00 N ATOM 246 CA ILE A 795 3.624 -7.260 0.001 1.00 0.00 C ATOM 247 C ILE A 795 2.225 -6.729 -0.293 1.00 0.00 C ATOM 248 O ILE A 795 1.873 -5.619 0.108 1.00 0.00 O ATOM 249 CB ILE A 795 4.501 -7.087 -1.253 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.907 -7.633 -0.998 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.561 -5.622 -1.659 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.639 -8.031 -2.261 1.00 0.00 C ATOM 0 H ILE A 795 4.076 -9.299 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 795 4.061 -6.690 0.821 1.00 0.00 H new ATOM 0 HB ILE A 795 4.055 -7.653 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.491 -6.878 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.838 -8.499 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 795 5.184 -5.516 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.555 -5.263 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 795 4.987 -5.036 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.629 -8.409 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.076 -8.808 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.740 -7.163 -2.912 1.00 0.00 H new ATOM 264 N LYS A 796 1.430 -7.530 -0.994 1.00 0.00 N ATOM 265 CA LYS A 796 0.067 -7.143 -1.340 1.00 0.00 C ATOM 266 C LYS A 796 -0.732 -6.788 -0.090 1.00 0.00 C ATOM 267 O LYS A 796 -1.337 -5.719 -0.012 1.00 0.00 O ATOM 268 CB LYS A 796 -0.629 -8.276 -2.098 1.00 0.00 C ATOM 269 CG LYS A 796 -1.895 -7.840 -2.815 1.00 0.00 C ATOM 270 CD LYS A 796 -2.795 -9.023 -3.127 1.00 0.00 C ATOM 271 CE LYS A 796 -3.536 -9.502 -1.888 1.00 0.00 C ATOM 272 NZ LYS A 796 -4.177 -10.829 -2.103 1.00 0.00 N ATOM 0 H LYS A 796 1.706 -8.451 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 796 0.117 -6.262 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 796 0.065 -8.695 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -0.875 -9.074 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.436 -7.123 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -1.632 -7.328 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -3.514 -8.741 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -2.197 -9.839 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -2.841 -9.566 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -4.297 -8.771 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -4.672 -11.120 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -4.859 -10.762 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -3.448 -11.532 -2.339 1.00 0.00 H new ATOM 286 N SER A 797 -0.727 -7.690 0.886 1.00 0.00 N ATOM 287 CA SER A 797 -1.454 -7.472 2.132 1.00 0.00 C ATOM 288 C SER A 797 -1.061 -6.140 2.763 1.00 0.00 C ATOM 289 O SER A 797 -1.912 -5.291 3.027 1.00 0.00 O ATOM 290 CB SER A 797 -1.181 -8.615 3.112 1.00 0.00 C ATOM 291 OG SER A 797 -2.198 -8.696 4.096 1.00 0.00 O ATOM 0 H SER A 797 -0.228 -8.578 0.839 1.00 0.00 H new ATOM 0 HA SER A 797 -2.520 -7.446 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.120 -9.558 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 797 -0.215 -8.462 3.594 1.00 0.00 H new ATOM 0 HG SER A 797 -2.002 -9.435 4.709 1.00 0.00 H new ATOM 297 N ASP A 798 0.234 -5.966 3.003 1.00 0.00 N ATOM 298 CA ASP A 798 0.741 -4.737 3.603 1.00 0.00 C ATOM 299 C ASP A 798 0.186 -3.512 2.885 1.00 0.00 C ATOM 300 O ASP A 798 -0.505 -2.687 3.485 1.00 0.00 O ATOM 301 CB ASP A 798 2.270 -4.718 3.563 1.00 0.00 C ATOM 302 CG ASP A 798 2.889 -5.540 4.677 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.823 -5.101 5.844 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.440 -6.621 4.381 1.00 0.00 O ATOM 0 H ASP A 798 0.951 -6.660 2.792 1.00 0.00 H new ATOM 0 HA ASP A 798 0.412 -4.707 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.610 -5.101 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.620 -3.688 3.638 1.00 0.00 H new ATOM 309 N PHE A 799 0.493 -3.398 1.597 1.00 0.00 N ATOM 310 CA PHE A 799 0.026 -2.271 0.797 1.00 0.00 C ATOM 311 C PHE A 799 -1.425 -1.934 1.127 1.00 0.00 C ATOM 312 O PHE A 799 -1.734 -0.820 1.550 1.00 0.00 O ATOM 313 CB PHE A 799 0.161 -2.587 -0.694 1.00 0.00 C ATOM 314 CG PHE A 799 0.062 -1.375 -1.575 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.871 -0.272 -1.353 1.00 0.00 C ATOM 316 CD2 PHE A 799 -0.841 -1.337 -2.626 1.00 0.00 C ATOM 317 CE1 PHE A 799 0.781 0.845 -2.161 1.00 0.00 C ATOM 318 CE2 PHE A 799 -0.935 -0.223 -3.438 1.00 0.00 C ATOM 319 CZ PHE A 799 -0.123 0.869 -3.206 1.00 0.00 C ATOM 0 H PHE A 799 1.063 -4.072 1.085 1.00 0.00 H new ATOM 0 HA PHE A 799 0.645 -1.406 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 799 1.120 -3.076 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.615 -3.297 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.580 -0.286 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.479 -2.188 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.416 1.699 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.643 -0.207 -4.253 1.00 0.00 H new ATOM 0 HZ PHE A 799 -0.194 1.740 -3.840 1.00 0.00 H new ATOM 329 N PHE A 800 -2.311 -2.904 0.930 1.00 0.00 N ATOM 330 CA PHE A 800 -3.730 -2.711 1.205 1.00 0.00 C ATOM 331 C PHE A 800 -3.940 -2.129 2.600 1.00 0.00 C ATOM 332 O PHE A 800 -4.554 -1.075 2.758 1.00 0.00 O ATOM 333 CB PHE A 800 -4.482 -4.037 1.075 1.00 0.00 C ATOM 334 CG PHE A 800 -4.794 -4.413 -0.346 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.436 -3.519 -1.187 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.445 -5.660 -0.839 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.724 -3.862 -2.495 1.00 0.00 C ATOM 338 CE2 PHE A 800 -4.730 -6.007 -2.146 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.372 -5.108 -2.975 1.00 0.00 C ATOM 0 H PHE A 800 -2.072 -3.832 0.581 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.123 -2.005 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -3.887 -4.829 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.413 -3.974 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.715 -2.543 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -3.945 -6.368 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.224 -3.156 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.451 -6.981 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.598 -5.379 -3.996 1.00 0.00 H new ATOM 349 N GLU A 801 -3.424 -2.826 3.609 1.00 0.00 N ATOM 350 CA GLU A 801 -3.556 -2.379 4.990 1.00 0.00 C ATOM 351 C GLU A 801 -3.350 -0.871 5.097 1.00 0.00 C ATOM 352 O GLU A 801 -4.168 -0.160 5.682 1.00 0.00 O ATOM 353 CB GLU A 801 -2.549 -3.107 5.883 1.00 0.00 C ATOM 354 CG GLU A 801 -2.870 -4.578 6.088 1.00 0.00 C ATOM 355 CD GLU A 801 -3.958 -4.800 7.120 1.00 0.00 C ATOM 356 OE1 GLU A 801 -4.107 -3.946 8.019 1.00 0.00 O ATOM 357 OE2 GLU A 801 -4.661 -5.828 7.028 1.00 0.00 O ATOM 0 H GLU A 801 -2.912 -3.701 3.495 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.566 -2.614 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.556 -3.018 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.513 -2.613 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -3.181 -5.014 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -1.967 -5.103 6.399 1.00 0.00 H new ATOM 364 N LEU A 802 -2.250 -0.389 4.528 1.00 0.00 N ATOM 365 CA LEU A 802 -1.934 1.035 4.558 1.00 0.00 C ATOM 366 C LEU A 802 -3.057 1.856 3.931 1.00 0.00 C ATOM 367 O LEU A 802 -3.683 2.682 4.596 1.00 0.00 O ATOM 368 CB LEU A 802 -0.620 1.302 3.822 1.00 0.00 C ATOM 369 CG LEU A 802 -0.110 2.743 3.861 1.00 0.00 C ATOM 370 CD1 LEU A 802 0.030 3.221 5.298 1.00 0.00 C ATOM 371 CD2 LEU A 802 1.219 2.858 3.128 1.00 0.00 C ATOM 0 H LEU A 802 -1.562 -0.963 4.040 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.827 1.336 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.148 0.654 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.745 1.010 2.779 1.00 0.00 H new ATOM 0 HG LEU A 802 -0.837 3.379 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.394 4.248 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.940 3.176 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 802 0.737 2.582 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.567 3.890 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.954 2.209 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 802 1.088 2.557 2.089 1.00 0.00 H new ATOM 383 N LEU A 803 -3.309 1.620 2.648 1.00 0.00 N ATOM 384 CA LEU A 803 -4.358 2.336 1.931 1.00 0.00 C ATOM 385 C LEU A 803 -5.618 2.453 2.783 1.00 0.00 C ATOM 386 O LEU A 803 -6.051 3.554 3.121 1.00 0.00 O ATOM 387 CB LEU A 803 -4.682 1.624 0.616 1.00 0.00 C ATOM 388 CG LEU A 803 -3.496 1.356 -0.312 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.919 0.474 -1.476 1.00 0.00 C ATOM 390 CD2 LEU A 803 -2.910 2.666 -0.818 1.00 0.00 C ATOM 0 H LEU A 803 -2.801 0.939 2.083 1.00 0.00 H new ATOM 0 HA LEU A 803 -3.994 3.340 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -5.158 0.671 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.415 2.222 0.073 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.726 0.831 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -3.063 0.294 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.292 -0.477 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.706 0.972 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -2.067 2.457 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.673 3.217 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.570 3.263 0.028 1.00 0.00 H new ATOM 402 N SER A 804 -6.201 1.309 3.128 1.00 0.00 N ATOM 403 CA SER A 804 -7.412 1.282 3.939 1.00 0.00 C ATOM 404 C SER A 804 -7.267 2.184 5.162 1.00 0.00 C ATOM 405 O SER A 804 -8.185 2.922 5.515 1.00 0.00 O ATOM 406 CB SER A 804 -7.724 -0.149 4.381 1.00 0.00 C ATOM 407 OG SER A 804 -8.729 -0.166 5.380 1.00 0.00 O ATOM 0 H SER A 804 -5.854 0.389 2.858 1.00 0.00 H new ATOM 0 HA SER A 804 -8.236 1.654 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.051 -0.735 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 804 -6.819 -0.621 4.763 1.00 0.00 H new ATOM 0 HG SER A 804 -8.912 -1.092 5.645 1.00 0.00 H new ATOM 413 N ASN A 805 -6.105 2.117 5.803 1.00 0.00 N ATOM 414 CA ASN A 805 -5.838 2.926 6.987 1.00 0.00 C ATOM 415 C ASN A 805 -5.905 4.414 6.655 1.00 0.00 C ATOM 416 O ASN A 805 -6.175 5.243 7.525 1.00 0.00 O ATOM 417 CB ASN A 805 -4.464 2.583 7.566 1.00 0.00 C ATOM 418 CG ASN A 805 -4.374 1.140 8.026 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.292 0.350 7.808 1.00 0.00 O ATOM 420 ND2 ASN A 805 -3.265 0.792 8.667 1.00 0.00 N ATOM 0 H ASN A 805 -5.334 1.511 5.523 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.604 2.702 7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.698 2.770 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.252 3.243 8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -3.148 -0.165 9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -2.530 1.481 8.825 1.00 0.00 H new ATOM 427 N HIS A 806 -5.658 4.745 5.392 1.00 0.00 N ATOM 428 CA HIS A 806 -5.692 6.133 4.944 1.00 0.00 C ATOM 429 C HIS A 806 -7.121 6.572 4.644 1.00 0.00 C ATOM 430 O HIS A 806 -7.358 7.375 3.741 1.00 0.00 O ATOM 431 CB HIS A 806 -4.819 6.311 3.702 1.00 0.00 C ATOM 432 CG HIS A 806 -3.358 6.432 4.008 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.563 7.437 3.498 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.549 5.669 4.779 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.327 7.285 3.941 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.292 6.219 4.720 1.00 0.00 N ATOM 0 H HIS A 806 -5.432 4.071 4.660 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.300 6.758 5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -4.973 5.462 3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.144 7.202 3.164 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -2.879 8.181 2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -2.838 4.791 5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.488 7.924 3.706 1.00 0.00 H new ATOM 444 N HIS A 807 -8.071 6.040 5.407 1.00 0.00 N ATOM 445 CA HIS A 807 -9.478 6.378 5.221 1.00 0.00 C ATOM 446 C HIS A 807 -9.791 6.616 3.747 1.00 0.00 C ATOM 447 O HIS A 807 -10.309 7.669 3.374 1.00 0.00 O ATOM 448 CB HIS A 807 -9.838 7.619 6.038 1.00 0.00 C ATOM 449 CG HIS A 807 -9.682 7.430 7.516 1.00 0.00 C ATOM 450 ND1 HIS A 807 -8.878 8.234 8.296 1.00 0.00 N ATOM 451 CD2 HIS A 807 -10.233 6.523 8.356 1.00 0.00 C ATOM 452 CE1 HIS A 807 -8.940 7.829 9.552 1.00 0.00 C ATOM 453 NE2 HIS A 807 -9.756 6.792 9.615 1.00 0.00 N ATOM 0 H HIS A 807 -7.893 5.374 6.159 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.077 5.536 5.569 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.209 8.450 5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -10.869 7.899 5.823 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -10.920 5.735 8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -8.413 8.270 10.385 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -9.993 6.275 10.462 1.00 0.00 H new ATOM 461 N LEU A 808 -9.471 5.633 2.913 1.00 0.00 N ATOM 462 CA LEU A 808 -9.717 5.735 1.479 1.00 0.00 C ATOM 463 C LEU A 808 -11.128 6.245 1.204 1.00 0.00 C ATOM 464 O LEU A 808 -11.927 6.417 2.124 1.00 0.00 O ATOM 465 CB LEU A 808 -9.513 4.376 0.808 1.00 0.00 C ATOM 466 CG LEU A 808 -8.068 3.886 0.709 1.00 0.00 C ATOM 467 CD1 LEU A 808 -7.987 2.633 -0.149 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.172 4.979 0.147 1.00 0.00 C ATOM 0 H LEU A 808 -9.040 4.756 3.205 1.00 0.00 H new ATOM 0 HA LEU A 808 -9.005 6.448 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -10.091 3.632 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -9.929 4.424 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.719 3.638 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -6.951 2.299 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.597 1.847 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.355 2.854 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.147 4.613 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.520 5.259 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.206 5.850 0.802 1.00 0.00 H new ATOM 480 N ASP A 809 -11.428 6.482 -0.069 1.00 0.00 N ATOM 481 CA ASP A 809 -12.744 6.969 -0.466 1.00 0.00 C ATOM 482 C ASP A 809 -13.016 6.661 -1.936 1.00 0.00 C ATOM 483 O ASP A 809 -12.169 6.098 -2.629 1.00 0.00 O ATOM 484 CB ASP A 809 -12.850 8.474 -0.220 1.00 0.00 C ATOM 485 CG ASP A 809 -13.313 8.799 1.187 1.00 0.00 C ATOM 486 OD1 ASP A 809 -14.532 8.708 1.446 1.00 0.00 O ATOM 487 OD2 ASP A 809 -12.458 9.144 2.028 1.00 0.00 O ATOM 0 H ASP A 809 -10.778 6.345 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.492 6.457 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -11.879 8.937 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -13.546 8.909 -0.938 1.00 0.00 H new ATOM 492 N SER A 810 -14.203 7.032 -2.403 1.00 0.00 N ATOM 493 CA SER A 810 -14.589 6.792 -3.788 1.00 0.00 C ATOM 494 C SER A 810 -13.876 7.760 -4.727 1.00 0.00 C ATOM 495 O SER A 810 -13.487 7.394 -5.835 1.00 0.00 O ATOM 496 CB SER A 810 -16.104 6.930 -3.949 1.00 0.00 C ATOM 497 OG SER A 810 -16.791 6.018 -3.109 1.00 0.00 O ATOM 0 H SER A 810 -14.915 7.500 -1.842 1.00 0.00 H new ATOM 0 HA SER A 810 -14.294 5.776 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.407 7.949 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.380 6.751 -4.988 1.00 0.00 H new ATOM 0 HG SER A 810 -17.757 6.127 -3.229 1.00 0.00 H new ATOM 503 N GLN A 811 -13.709 8.999 -4.274 1.00 0.00 N ATOM 504 CA GLN A 811 -13.044 10.021 -5.073 1.00 0.00 C ATOM 505 C GLN A 811 -11.554 10.081 -4.750 1.00 0.00 C ATOM 506 O GLN A 811 -10.929 11.136 -4.852 1.00 0.00 O ATOM 507 CB GLN A 811 -13.686 11.388 -4.828 1.00 0.00 C ATOM 508 CG GLN A 811 -14.992 11.589 -5.580 1.00 0.00 C ATOM 509 CD GLN A 811 -16.127 10.763 -5.009 1.00 0.00 C ATOM 510 OE1 GLN A 811 -16.307 10.689 -3.793 1.00 0.00 O ATOM 511 NE2 GLN A 811 -16.902 10.135 -5.885 1.00 0.00 N ATOM 0 H GLN A 811 -14.025 9.319 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 811 -13.159 9.756 -6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -13.869 11.508 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -12.983 12.168 -5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -15.265 12.644 -5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -14.848 11.326 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -16.718 10.223 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -17.682 9.564 -5.559 1.00 0.00 H new ATOM 520 N SER A 812 -10.992 8.941 -4.360 1.00 0.00 N ATOM 521 CA SER A 812 -9.577 8.865 -4.017 1.00 0.00 C ATOM 522 C SER A 812 -8.738 8.526 -5.246 1.00 0.00 C ATOM 523 O SER A 812 -8.964 7.510 -5.904 1.00 0.00 O ATOM 524 CB SER A 812 -9.350 7.817 -2.926 1.00 0.00 C ATOM 525 OG SER A 812 -9.446 8.396 -1.636 1.00 0.00 O ATOM 0 H SER A 812 -11.495 8.058 -4.274 1.00 0.00 H new ATOM 0 HA SER A 812 -9.266 9.841 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 812 -10.085 7.019 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 812 -8.367 7.363 -3.052 1.00 0.00 H new ATOM 0 HG SER A 812 -9.299 7.706 -0.956 1.00 0.00 H new ATOM 531 N ARG A 813 -7.770 9.384 -5.549 1.00 0.00 N ATOM 532 CA ARG A 813 -6.898 9.177 -6.699 1.00 0.00 C ATOM 533 C ARG A 813 -5.603 8.485 -6.282 1.00 0.00 C ATOM 534 O ARG A 813 -5.323 8.336 -5.093 1.00 0.00 O ATOM 535 CB ARG A 813 -6.581 10.513 -7.373 1.00 0.00 C ATOM 536 CG ARG A 813 -7.623 10.944 -8.392 1.00 0.00 C ATOM 537 CD ARG A 813 -8.880 11.469 -7.715 1.00 0.00 C ATOM 538 NE ARG A 813 -8.630 12.706 -6.980 1.00 0.00 N ATOM 539 CZ ARG A 813 -8.360 13.867 -7.566 1.00 0.00 C ATOM 540 NH1 ARG A 813 -8.306 13.950 -8.888 1.00 0.00 N ATOM 541 NH2 ARG A 813 -8.144 14.949 -6.828 1.00 0.00 N ATOM 0 H ARG A 813 -7.570 10.229 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.420 8.535 -7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -6.493 11.284 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -5.611 10.441 -7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -7.205 11.718 -9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -7.879 10.100 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -9.650 11.643 -8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -9.266 10.713 -7.031 1.00 0.00 H new ATOM 0 HE ARG A 813 -8.665 12.677 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -8.472 13.121 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -8.098 14.843 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -8.185 14.889 -5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -7.937 15.840 -7.278 1.00 0.00 H new ATOM 555 N TRP A 814 -4.819 8.066 -7.268 1.00 0.00 N ATOM 556 CA TRP A 814 -3.554 7.389 -7.003 1.00 0.00 C ATOM 557 C TRP A 814 -2.491 8.383 -6.549 1.00 0.00 C ATOM 558 O TRP A 814 -2.076 8.374 -5.390 1.00 0.00 O ATOM 559 CB TRP A 814 -3.077 6.649 -8.254 1.00 0.00 C ATOM 560 CG TRP A 814 -1.651 6.194 -8.167 1.00 0.00 C ATOM 561 CD1 TRP A 814 -0.649 6.466 -9.054 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.071 5.386 -7.137 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.520 5.876 -8.637 1.00 0.00 N ATOM 564 CE2 TRP A 814 0.288 5.208 -7.464 1.00 0.00 C ATOM 565 CE3 TRP A 814 -1.566 4.797 -5.971 1.00 0.00 C ATOM 566 CZ2 TRP A 814 1.154 4.465 -6.666 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -0.705 4.060 -5.180 1.00 0.00 C ATOM 568 CH2 TRP A 814 0.642 3.900 -5.530 1.00 0.00 C ATOM 0 H TRP A 814 -5.036 8.183 -8.258 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.716 6.667 -6.202 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -3.718 5.783 -8.422 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.190 7.302 -9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -0.759 7.058 -9.951 1.00 0.00 H new ATOM 0 HE1 TRP A 814 1.416 5.927 -9.123 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -2.603 4.915 -5.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 2.193 4.339 -6.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.077 3.600 -4.277 1.00 0.00 H new ATOM 0 HH2 TRP A 814 1.289 3.319 -4.890 1.00 0.00 H new ATOM 579 N SER A 815 -2.053 9.237 -7.468 1.00 0.00 N ATOM 580 CA SER A 815 -1.034 10.234 -7.161 1.00 0.00 C ATOM 581 C SER A 815 -1.205 10.766 -5.741 1.00 0.00 C ATOM 582 O SER A 815 -0.227 11.070 -5.057 1.00 0.00 O ATOM 583 CB SER A 815 -1.104 11.390 -8.162 1.00 0.00 C ATOM 584 OG SER A 815 -1.046 10.913 -9.495 1.00 0.00 O ATOM 0 H SER A 815 -2.388 9.259 -8.431 1.00 0.00 H new ATOM 0 HA SER A 815 -0.058 9.755 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 815 -2.027 11.950 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 815 -0.280 12.081 -7.983 1.00 0.00 H new ATOM 0 HG SER A 815 -1.094 11.670 -10.116 1.00 0.00 H new ATOM 590 N LYS A 816 -2.454 10.876 -5.303 1.00 0.00 N ATOM 591 CA LYS A 816 -2.756 11.369 -3.965 1.00 0.00 C ATOM 592 C LYS A 816 -2.443 10.311 -2.912 1.00 0.00 C ATOM 593 O LYS A 816 -1.629 10.535 -2.015 1.00 0.00 O ATOM 594 CB LYS A 816 -4.228 11.778 -3.869 1.00 0.00 C ATOM 595 CG LYS A 816 -4.522 13.137 -4.481 1.00 0.00 C ATOM 596 CD LYS A 816 -3.971 14.265 -3.624 1.00 0.00 C ATOM 597 CE LYS A 816 -3.601 15.476 -4.467 1.00 0.00 C ATOM 598 NZ LYS A 816 -2.279 15.306 -5.131 1.00 0.00 N ATOM 0 H LYS A 816 -3.275 10.630 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 816 -2.130 12.241 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.839 11.025 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -4.526 11.789 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.086 13.190 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.599 13.260 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.712 14.552 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -3.092 13.916 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -4.369 15.641 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.579 16.365 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.063 16.152 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -1.542 15.174 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.307 14.473 -5.753 1.00 0.00 H new ATOM 612 N VAL A 817 -3.093 9.157 -3.027 1.00 0.00 N ATOM 613 CA VAL A 817 -2.881 8.064 -2.086 1.00 0.00 C ATOM 614 C VAL A 817 -1.398 7.744 -1.939 1.00 0.00 C ATOM 615 O VAL A 817 -0.909 7.503 -0.835 1.00 0.00 O ATOM 616 CB VAL A 817 -3.628 6.791 -2.527 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.748 5.942 -3.432 1.00 0.00 C ATOM 618 CG2 VAL A 817 -4.085 5.994 -1.315 1.00 0.00 C ATOM 0 H VAL A 817 -3.770 8.955 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 817 -3.275 8.394 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.512 7.087 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.292 5.047 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.475 6.516 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.845 5.653 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.611 5.098 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -3.218 5.707 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.754 6.605 -0.709 1.00 0.00 H new ATOM 628 N LYS A 818 -0.685 7.744 -3.060 1.00 0.00 N ATOM 629 CA LYS A 818 0.745 7.456 -3.058 1.00 0.00 C ATOM 630 C LYS A 818 1.529 8.597 -2.417 1.00 0.00 C ATOM 631 O LYS A 818 2.517 8.368 -1.719 1.00 0.00 O ATOM 632 CB LYS A 818 1.241 7.222 -4.487 1.00 0.00 C ATOM 633 CG LYS A 818 1.752 8.481 -5.167 1.00 0.00 C ATOM 634 CD LYS A 818 1.868 8.294 -6.671 1.00 0.00 C ATOM 635 CE LYS A 818 3.077 7.446 -7.035 1.00 0.00 C ATOM 636 NZ LYS A 818 4.354 8.181 -6.823 1.00 0.00 N ATOM 0 H LYS A 818 -1.074 7.940 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 818 0.907 6.552 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 818 2.039 6.480 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 818 0.429 6.803 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 818 1.078 9.310 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 818 2.726 8.748 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 818 0.963 7.821 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 818 1.946 9.268 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 818 3.077 6.537 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 818 3.004 7.138 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 5.132 7.665 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 4.279 9.133 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 4.544 8.260 -5.804 1.00 0.00 H new ATOM 650 N ASP A 819 1.082 9.824 -2.658 1.00 0.00 N ATOM 651 CA ASP A 819 1.740 11.001 -2.102 1.00 0.00 C ATOM 652 C ASP A 819 1.564 11.057 -0.588 1.00 0.00 C ATOM 653 O ASP A 819 2.390 11.629 0.124 1.00 0.00 O ATOM 654 CB ASP A 819 1.183 12.274 -2.741 1.00 0.00 C ATOM 655 CG ASP A 819 1.973 13.509 -2.356 1.00 0.00 C ATOM 656 OD1 ASP A 819 3.166 13.367 -2.013 1.00 0.00 O ATOM 657 OD2 ASP A 819 1.400 14.617 -2.399 1.00 0.00 O ATOM 0 H ASP A 819 0.266 10.030 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 819 2.805 10.930 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 819 1.190 12.165 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 819 0.143 12.403 -2.440 1.00 0.00 H new ATOM 662 N LYS A 820 0.481 10.460 -0.101 1.00 0.00 N ATOM 663 CA LYS A 820 0.195 10.442 1.329 1.00 0.00 C ATOM 664 C LYS A 820 0.903 9.275 2.010 1.00 0.00 C ATOM 665 O LYS A 820 1.376 9.398 3.140 1.00 0.00 O ATOM 666 CB LYS A 820 -1.314 10.346 1.567 1.00 0.00 C ATOM 667 CG LYS A 820 -2.025 11.687 1.510 1.00 0.00 C ATOM 668 CD LYS A 820 -1.834 12.474 2.795 1.00 0.00 C ATOM 669 CE LYS A 820 -2.362 13.894 2.662 1.00 0.00 C ATOM 670 NZ LYS A 820 -2.044 14.719 3.861 1.00 0.00 N ATOM 0 H LYS A 820 -0.213 9.982 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 820 0.566 11.372 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -1.749 9.681 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.491 9.891 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -1.645 12.266 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -3.089 11.529 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 820 -2.348 11.968 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -0.775 12.501 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -1.931 14.360 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -3.442 13.868 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -2.421 15.680 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -2.476 14.288 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -1.013 14.766 3.987 1.00 0.00 H new ATOM 684 N VAL A 821 0.973 8.144 1.316 1.00 0.00 N ATOM 685 CA VAL A 821 1.625 6.956 1.853 1.00 0.00 C ATOM 686 C VAL A 821 3.138 7.037 1.686 1.00 0.00 C ATOM 687 O VAL A 821 3.891 6.472 2.478 1.00 0.00 O ATOM 688 CB VAL A 821 1.112 5.675 1.168 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.402 5.583 1.274 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.557 5.635 -0.286 1.00 0.00 C ATOM 0 H VAL A 821 0.586 8.025 0.380 1.00 0.00 H new ATOM 0 HA VAL A 821 1.381 6.914 2.914 1.00 0.00 H new ATOM 0 HB VAL A 821 1.541 4.813 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.746 4.672 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.693 5.563 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.854 6.448 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 821 1.186 4.724 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 821 1.158 6.502 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.646 5.650 -0.334 1.00 0.00 H new ATOM 700 N GLU A 822 3.577 7.745 0.650 1.00 0.00 N ATOM 701 CA GLU A 822 5.001 7.900 0.379 1.00 0.00 C ATOM 702 C GLU A 822 5.793 8.013 1.679 1.00 0.00 C ATOM 703 O GLU A 822 6.962 7.635 1.740 1.00 0.00 O ATOM 704 CB GLU A 822 5.246 9.136 -0.490 1.00 0.00 C ATOM 705 CG GLU A 822 5.108 10.447 0.265 1.00 0.00 C ATOM 706 CD GLU A 822 6.359 10.806 1.044 1.00 0.00 C ATOM 707 OE1 GLU A 822 7.453 10.803 0.443 1.00 0.00 O ATOM 708 OE2 GLU A 822 6.243 11.090 2.254 1.00 0.00 O ATOM 0 H GLU A 822 2.967 8.220 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 822 5.341 7.014 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.247 9.076 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 822 4.542 9.130 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 822 4.882 11.246 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 822 4.264 10.380 0.951 1.00 0.00 H new ATOM 715 N SER A 823 5.146 8.538 2.715 1.00 0.00 N ATOM 716 CA SER A 823 5.790 8.706 4.012 1.00 0.00 C ATOM 717 C SER A 823 5.737 7.411 4.817 1.00 0.00 C ATOM 718 O SER A 823 5.728 7.432 6.048 1.00 0.00 O ATOM 719 CB SER A 823 5.119 9.835 4.796 1.00 0.00 C ATOM 720 OG SER A 823 5.882 10.188 5.937 1.00 0.00 O ATOM 0 H SER A 823 4.177 8.854 2.681 1.00 0.00 H new ATOM 0 HA SER A 823 6.835 8.964 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 823 4.997 10.706 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 823 4.121 9.524 5.104 1.00 0.00 H new ATOM 0 HG SER A 823 6.211 9.375 6.375 1.00 0.00 H new ATOM 726 N ASP A 824 5.701 6.285 4.112 1.00 0.00 N ATOM 727 CA ASP A 824 5.649 4.979 4.759 1.00 0.00 C ATOM 728 C ASP A 824 6.613 4.003 4.091 1.00 0.00 C ATOM 729 O ASP A 824 6.763 3.979 2.870 1.00 0.00 O ATOM 730 CB ASP A 824 4.226 4.421 4.716 1.00 0.00 C ATOM 731 CG ASP A 824 3.997 3.338 5.751 1.00 0.00 C ATOM 732 OD1 ASP A 824 3.698 3.682 6.913 1.00 0.00 O ATOM 733 OD2 ASP A 824 4.118 2.145 5.400 1.00 0.00 O ATOM 0 H ASP A 824 5.707 6.251 3.093 1.00 0.00 H new ATOM 0 HA ASP A 824 5.950 5.104 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.516 5.232 4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 824 4.027 4.018 3.723 1.00 0.00 H new ATOM 738 N PRO A 825 7.283 3.179 4.911 1.00 0.00 N ATOM 739 CA PRO A 825 8.245 2.186 4.421 1.00 0.00 C ATOM 740 C PRO A 825 7.568 1.046 3.668 1.00 0.00 C ATOM 741 O PRO A 825 8.157 0.448 2.769 1.00 0.00 O ATOM 742 CB PRO A 825 8.900 1.666 5.703 1.00 0.00 C ATOM 743 CG PRO A 825 7.886 1.899 6.769 1.00 0.00 C ATOM 744 CD PRO A 825 7.154 3.153 6.377 1.00 0.00 C ATOM 0 HA PRO A 825 8.950 2.617 3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 825 9.150 0.608 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 825 9.828 2.197 5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 825 7.201 1.055 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 825 8.362 2.013 7.743 1.00 0.00 H new ATOM 0 HD2 PRO A 825 6.110 3.123 6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.597 4.037 6.835 1.00 0.00 H new ATOM 752 N ARG A 826 6.327 0.751 4.042 1.00 0.00 N ATOM 753 CA ARG A 826 5.570 -0.318 3.402 1.00 0.00 C ATOM 754 C ARG A 826 5.328 -0.006 1.928 1.00 0.00 C ATOM 755 O ARG A 826 5.300 -0.906 1.089 1.00 0.00 O ATOM 756 CB ARG A 826 4.234 -0.525 4.117 1.00 0.00 C ATOM 757 CG ARG A 826 4.379 -0.946 5.570 1.00 0.00 C ATOM 758 CD ARG A 826 3.025 -1.100 6.244 1.00 0.00 C ATOM 759 NE ARG A 826 2.579 0.142 6.868 1.00 0.00 N ATOM 760 CZ ARG A 826 1.356 0.322 7.355 1.00 0.00 C ATOM 761 NH1 ARG A 826 0.463 -0.655 7.292 1.00 0.00 N ATOM 762 NH2 ARG A 826 1.025 1.482 7.908 1.00 0.00 N ATOM 0 H ARG A 826 5.825 1.237 4.785 1.00 0.00 H new ATOM 0 HA ARG A 826 6.156 -1.235 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.660 0.401 4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.660 -1.283 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.923 -1.889 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 826 4.972 -0.205 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 826 2.288 -1.420 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 826 3.083 -1.884 6.999 1.00 0.00 H new ATOM 0 HE ARG A 826 3.243 0.914 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 826 0.714 -1.549 6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 826 -0.475 -0.514 7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 826 1.710 2.236 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 826 0.086 1.619 8.282 1.00 0.00 H new ATOM 776 N TYR A 827 5.153 1.274 1.621 1.00 0.00 N ATOM 777 CA TYR A 827 4.910 1.705 0.250 1.00 0.00 C ATOM 778 C TYR A 827 6.124 1.429 -0.632 1.00 0.00 C ATOM 779 O TYR A 827 6.012 1.338 -1.854 1.00 0.00 O ATOM 780 CB TYR A 827 4.569 3.196 0.214 1.00 0.00 C ATOM 781 CG TYR A 827 4.772 3.831 -1.143 1.00 0.00 C ATOM 782 CD1 TYR A 827 6.025 4.283 -1.540 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.712 3.980 -2.028 1.00 0.00 C ATOM 784 CE1 TYR A 827 6.215 4.865 -2.778 1.00 0.00 C ATOM 785 CE2 TYR A 827 3.893 4.559 -3.269 1.00 0.00 C ATOM 786 CZ TYR A 827 5.146 5.000 -3.640 1.00 0.00 C ATOM 787 OH TYR A 827 5.331 5.578 -4.875 1.00 0.00 O ATOM 0 H TYR A 827 5.175 2.032 2.304 1.00 0.00 H new ATOM 0 HA TYR A 827 4.065 1.136 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.531 3.330 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.185 3.719 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 827 6.864 4.177 -0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.729 3.637 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 827 7.195 5.213 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 827 3.058 4.666 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 827 4.692 5.198 -5.513 1.00 0.00 H new ATOM 797 N LYS A 828 7.286 1.295 -0.001 1.00 0.00 N ATOM 798 CA LYS A 828 8.523 1.026 -0.725 1.00 0.00 C ATOM 799 C LYS A 828 8.645 -0.456 -1.063 1.00 0.00 C ATOM 800 O LYS A 828 9.355 -0.834 -1.994 1.00 0.00 O ATOM 801 CB LYS A 828 9.730 1.472 0.104 1.00 0.00 C ATOM 802 CG LYS A 828 9.854 2.981 0.235 1.00 0.00 C ATOM 803 CD LYS A 828 10.752 3.367 1.398 1.00 0.00 C ATOM 804 CE LYS A 828 12.219 3.362 0.995 1.00 0.00 C ATOM 805 NZ LYS A 828 13.116 3.569 2.165 1.00 0.00 N ATOM 0 H LYS A 828 7.397 1.368 1.010 1.00 0.00 H new ATOM 0 HA LYS A 828 8.500 1.592 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.658 1.034 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.639 1.079 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.256 3.396 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.865 3.417 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 828 10.476 4.358 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 828 10.598 2.673 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.461 2.413 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 828 12.396 4.146 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 14.107 3.559 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 12.903 4.486 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.966 2.807 2.857 1.00 0.00 H new ATOM 819 N ALA A 829 7.947 -1.291 -0.300 1.00 0.00 N ATOM 820 CA ALA A 829 7.975 -2.732 -0.522 1.00 0.00 C ATOM 821 C ALA A 829 7.650 -3.071 -1.973 1.00 0.00 C ATOM 822 O ALA A 829 8.376 -3.824 -2.622 1.00 0.00 O ATOM 823 CB ALA A 829 7.000 -3.429 0.416 1.00 0.00 C ATOM 0 H ALA A 829 7.356 -0.995 0.477 1.00 0.00 H new ATOM 0 HA ALA A 829 8.983 -3.088 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 829 7.031 -4.504 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 829 7.279 -3.223 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.991 -3.060 0.232 1.00 0.00 H new ATOM 829 N VAL A 830 6.555 -2.511 -2.475 1.00 0.00 N ATOM 830 CA VAL A 830 6.134 -2.753 -3.850 1.00 0.00 C ATOM 831 C VAL A 830 7.095 -2.106 -4.841 1.00 0.00 C ATOM 832 O VAL A 830 7.274 -0.888 -4.843 1.00 0.00 O ATOM 833 CB VAL A 830 4.713 -2.217 -4.105 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.247 -2.584 -5.506 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.747 -2.749 -3.057 1.00 0.00 C ATOM 0 H VAL A 830 5.943 -1.886 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 830 6.138 -3.833 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 830 4.734 -1.130 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.241 -2.197 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.925 -2.150 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 830 4.240 -3.669 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.748 -2.360 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.727 -3.838 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 830 4.073 -2.431 -2.067 1.00 0.00 H new ATOM 845 N ASP A 831 7.710 -2.929 -5.683 1.00 0.00 N ATOM 846 CA ASP A 831 8.652 -2.437 -6.682 1.00 0.00 C ATOM 847 C ASP A 831 7.946 -2.159 -8.005 1.00 0.00 C ATOM 848 O ASP A 831 8.191 -1.138 -8.648 1.00 0.00 O ATOM 849 CB ASP A 831 9.778 -3.450 -6.894 1.00 0.00 C ATOM 850 CG ASP A 831 10.994 -2.834 -7.558 1.00 0.00 C ATOM 851 OD1 ASP A 831 10.821 -2.122 -8.570 1.00 0.00 O ATOM 852 OD2 ASP A 831 12.118 -3.063 -7.066 1.00 0.00 O ATOM 0 H ASP A 831 7.573 -3.940 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 831 9.078 -1.503 -6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 831 10.068 -3.873 -5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 831 9.411 -4.274 -7.507 1.00 0.00 H new ATOM 857 N SER A 832 7.070 -3.074 -8.406 1.00 0.00 N ATOM 858 CA SER A 832 6.331 -2.930 -9.655 1.00 0.00 C ATOM 859 C SER A 832 5.295 -1.815 -9.548 1.00 0.00 C ATOM 860 O SER A 832 4.520 -1.763 -8.594 1.00 0.00 O ATOM 861 CB SER A 832 5.644 -4.247 -10.021 1.00 0.00 C ATOM 862 OG SER A 832 5.026 -4.163 -11.294 1.00 0.00 O ATOM 0 H SER A 832 6.854 -3.923 -7.884 1.00 0.00 H new ATOM 0 HA SER A 832 7.041 -2.669 -10.440 1.00 0.00 H new ATOM 0 HB2 SER A 832 6.376 -5.055 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 832 4.897 -4.493 -9.266 1.00 0.00 H new ATOM 0 HG SER A 832 4.595 -5.018 -11.506 1.00 0.00 H new ATOM 868 N SER A 833 5.290 -0.924 -10.535 1.00 0.00 N ATOM 869 CA SER A 833 4.352 0.193 -10.551 1.00 0.00 C ATOM 870 C SER A 833 2.933 -0.293 -10.826 1.00 0.00 C ATOM 871 O SER A 833 1.984 0.117 -10.158 1.00 0.00 O ATOM 872 CB SER A 833 4.766 1.218 -11.609 1.00 0.00 C ATOM 873 OG SER A 833 4.584 0.703 -12.917 1.00 0.00 O ATOM 0 H SER A 833 5.924 -0.954 -11.333 1.00 0.00 H new ATOM 0 HA SER A 833 4.371 0.666 -9.569 1.00 0.00 H new ATOM 0 HB2 SER A 833 4.178 2.128 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 833 5.811 1.492 -11.465 1.00 0.00 H new ATOM 0 HG SER A 833 4.854 1.378 -13.575 1.00 0.00 H new ATOM 879 N SER A 834 2.795 -1.171 -11.815 1.00 0.00 N ATOM 880 CA SER A 834 1.491 -1.711 -12.182 1.00 0.00 C ATOM 881 C SER A 834 0.745 -2.214 -10.950 1.00 0.00 C ATOM 882 O SER A 834 -0.443 -1.945 -10.778 1.00 0.00 O ATOM 883 CB SER A 834 1.653 -2.848 -13.193 1.00 0.00 C ATOM 884 OG SER A 834 0.525 -2.937 -14.046 1.00 0.00 O ATOM 0 H SER A 834 3.570 -1.523 -12.376 1.00 0.00 H new ATOM 0 HA SER A 834 0.908 -0.910 -12.636 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.551 -2.684 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.789 -3.792 -12.665 1.00 0.00 H new ATOM 0 HG SER A 834 0.654 -3.670 -14.684 1.00 0.00 H new ATOM 890 N MET A 835 1.452 -2.946 -10.095 1.00 0.00 N ATOM 891 CA MET A 835 0.858 -3.486 -8.878 1.00 0.00 C ATOM 892 C MET A 835 0.289 -2.369 -8.009 1.00 0.00 C ATOM 893 O MET A 835 -0.831 -2.469 -7.507 1.00 0.00 O ATOM 894 CB MET A 835 1.898 -4.283 -8.087 1.00 0.00 C ATOM 895 CG MET A 835 2.496 -5.443 -8.867 1.00 0.00 C ATOM 896 SD MET A 835 1.340 -6.812 -9.072 1.00 0.00 S ATOM 897 CE MET A 835 1.448 -7.589 -7.462 1.00 0.00 C ATOM 0 H MET A 835 2.437 -3.179 -10.223 1.00 0.00 H new ATOM 0 HA MET A 835 0.043 -4.150 -9.165 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.700 -3.612 -7.778 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.435 -4.667 -7.178 1.00 0.00 H new ATOM 0 HG2 MET A 835 2.813 -5.091 -9.848 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.388 -5.800 -8.353 1.00 0.00 H new ATOM 0 HE1 MET A 835 1.493 -8.671 -7.583 1.00 0.00 H new ATOM 0 HE2 MET A 835 2.346 -7.243 -6.951 1.00 0.00 H new ATOM 0 HE3 MET A 835 0.570 -7.326 -6.871 1.00 0.00 H new ATOM 907 N ARG A 836 1.067 -1.305 -7.836 1.00 0.00 N ATOM 908 CA ARG A 836 0.640 -0.170 -7.026 1.00 0.00 C ATOM 909 C ARG A 836 -0.695 0.379 -7.521 1.00 0.00 C ATOM 910 O ARG A 836 -1.698 0.331 -6.810 1.00 0.00 O ATOM 911 CB ARG A 836 1.700 0.933 -7.057 1.00 0.00 C ATOM 912 CG ARG A 836 3.025 0.520 -6.437 1.00 0.00 C ATOM 913 CD ARG A 836 4.065 1.623 -6.560 1.00 0.00 C ATOM 914 NE ARG A 836 5.425 1.110 -6.428 1.00 0.00 N ATOM 915 CZ ARG A 836 6.509 1.874 -6.501 1.00 0.00 C ATOM 916 NH1 ARG A 836 6.392 3.179 -6.703 1.00 0.00 N ATOM 917 NH2 ARG A 836 7.714 1.333 -6.371 1.00 0.00 N ATOM 0 H ARG A 836 1.996 -1.205 -8.246 1.00 0.00 H new ATOM 0 HA ARG A 836 0.514 -0.515 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.870 1.233 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 836 1.318 1.807 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.875 0.275 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 836 3.391 -0.383 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 836 3.956 2.118 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 836 3.886 2.377 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 836 5.550 0.110 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 836 5.468 3.599 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 836 7.226 3.763 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 836 7.808 0.329 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 836 8.546 1.921 -6.427 1.00 0.00 H new ATOM 931 N GLU A 837 -0.698 0.901 -8.744 1.00 0.00 N ATOM 932 CA GLU A 837 -1.909 1.460 -9.333 1.00 0.00 C ATOM 933 C GLU A 837 -3.045 0.441 -9.311 1.00 0.00 C ATOM 934 O GLU A 837 -4.091 0.674 -8.705 1.00 0.00 O ATOM 935 CB GLU A 837 -1.642 1.913 -10.770 1.00 0.00 C ATOM 936 CG GLU A 837 -0.901 3.236 -10.863 1.00 0.00 C ATOM 937 CD GLU A 837 -0.050 3.340 -12.114 1.00 0.00 C ATOM 938 OE1 GLU A 837 -0.613 3.252 -13.225 1.00 0.00 O ATOM 939 OE2 GLU A 837 1.180 3.510 -11.981 1.00 0.00 O ATOM 0 H GLU A 837 0.124 0.948 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.207 2.323 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -1.063 1.145 -11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.592 2.000 -11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -1.622 4.054 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -0.266 3.355 -9.985 1.00 0.00 H new ATOM 946 N ASP A 838 -2.831 -0.688 -9.978 1.00 0.00 N ATOM 947 CA ASP A 838 -3.836 -1.744 -10.036 1.00 0.00 C ATOM 948 C ASP A 838 -4.430 -2.005 -8.656 1.00 0.00 C ATOM 949 O ASP A 838 -5.640 -1.886 -8.456 1.00 0.00 O ATOM 950 CB ASP A 838 -3.224 -3.030 -10.593 1.00 0.00 C ATOM 951 CG ASP A 838 -4.244 -3.894 -11.308 1.00 0.00 C ATOM 952 OD1 ASP A 838 -5.077 -4.520 -10.621 1.00 0.00 O ATOM 953 OD2 ASP A 838 -4.209 -3.943 -12.556 1.00 0.00 O ATOM 0 H ASP A 838 -1.971 -0.896 -10.486 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.636 -1.414 -10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.419 -2.777 -11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.778 -3.599 -9.778 1.00 0.00 H new ATOM 958 N LEU A 839 -3.572 -2.362 -7.706 1.00 0.00 N ATOM 959 CA LEU A 839 -4.012 -2.642 -6.344 1.00 0.00 C ATOM 960 C LEU A 839 -4.895 -1.516 -5.814 1.00 0.00 C ATOM 961 O LEU A 839 -6.017 -1.751 -5.367 1.00 0.00 O ATOM 962 CB LEU A 839 -2.803 -2.832 -5.425 1.00 0.00 C ATOM 963 CG LEU A 839 -2.030 -4.140 -5.596 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.687 -4.063 -4.886 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.845 -5.313 -5.073 1.00 0.00 C ATOM 0 H LEU A 839 -2.568 -2.464 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.597 -3.561 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -2.115 -2.002 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.143 -2.767 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.847 -4.296 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.151 -5.003 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.099 -3.247 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.847 -3.884 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.279 -6.236 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.059 -5.164 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.782 -5.381 -5.626 1.00 0.00 H new ATOM 977 N PHE A 840 -4.381 -0.292 -5.871 1.00 0.00 N ATOM 978 CA PHE A 840 -5.123 0.872 -5.399 1.00 0.00 C ATOM 979 C PHE A 840 -6.473 0.978 -6.102 1.00 0.00 C ATOM 980 O PHE A 840 -7.525 0.868 -5.471 1.00 0.00 O ATOM 981 CB PHE A 840 -4.313 2.149 -5.632 1.00 0.00 C ATOM 982 CG PHE A 840 -5.066 3.405 -5.300 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.414 3.695 -3.990 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.426 4.296 -6.298 1.00 0.00 C ATOM 985 CE1 PHE A 840 -6.107 4.850 -3.682 1.00 0.00 C ATOM 986 CE2 PHE A 840 -6.118 5.454 -5.995 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.460 5.730 -4.686 1.00 0.00 C ATOM 0 H PHE A 840 -3.454 -0.080 -6.239 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.298 0.751 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.405 2.109 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -4.001 2.187 -6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -5.140 3.010 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -5.163 4.084 -7.324 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -6.372 5.064 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -6.391 6.142 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 840 -7.003 6.633 -4.448 1.00 0.00 H new ATOM 997 N LYS A 841 -6.436 1.192 -7.412 1.00 0.00 N ATOM 998 CA LYS A 841 -7.655 1.313 -8.203 1.00 0.00 C ATOM 999 C LYS A 841 -8.634 0.192 -7.868 1.00 0.00 C ATOM 1000 O LYS A 841 -9.844 0.410 -7.811 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.323 1.285 -9.697 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.547 2.502 -10.171 1.00 0.00 C ATOM 1003 CD LYS A 841 -6.460 2.552 -11.687 1.00 0.00 C ATOM 1004 CE LYS A 841 -5.514 3.648 -12.155 1.00 0.00 C ATOM 1005 NZ LYS A 841 -6.009 5.003 -11.784 1.00 0.00 N ATOM 0 H LYS A 841 -5.574 1.285 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.124 2.266 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.744 0.388 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.250 1.212 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.029 3.408 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -5.542 2.481 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -6.118 1.589 -12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -7.452 2.724 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -4.529 3.489 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -5.396 3.588 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -5.373 5.725 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -6.967 5.139 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -6.033 5.092 -10.748 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.102 -1.006 -7.647 1.00 0.00 N ATOM 1020 CA GLN A 842 -8.930 -2.160 -7.317 1.00 0.00 C ATOM 1021 C GLN A 842 -9.675 -1.937 -6.005 1.00 0.00 C ATOM 1022 O GLN A 842 -10.900 -2.049 -5.948 1.00 0.00 O ATOM 1023 CB GLN A 842 -8.070 -3.421 -7.221 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.781 -4.064 -8.568 1.00 0.00 C ATOM 1025 CD GLN A 842 -6.992 -5.352 -8.443 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -7.561 -6.444 -8.436 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -5.673 -5.231 -8.343 1.00 0.00 N ATOM 0 H GLN A 842 -7.102 -1.203 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.663 -2.289 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.126 -3.171 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.573 -4.146 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.722 -4.267 -9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.226 -3.362 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.244 -4.306 -8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.090 -6.063 -8.256 1.00 0.00 H new ATOM 1036 N TYR A 843 -8.928 -1.623 -4.952 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.518 -1.388 -3.640 1.00 0.00 C ATOM 1038 C TYR A 843 -10.604 -0.320 -3.714 1.00 0.00 C ATOM 1039 O TYR A 843 -11.740 -0.544 -3.295 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.439 -0.966 -2.641 1.00 0.00 C ATOM 1041 CG TYR A 843 -8.841 -1.160 -1.196 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.682 -0.254 -0.562 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.380 -2.248 -0.466 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.052 -0.427 0.758 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -8.746 -2.430 0.853 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.582 -1.516 1.461 1.00 0.00 C ATOM 1047 OH TYR A 843 -9.947 -1.693 2.776 1.00 0.00 O ATOM 0 H TYR A 843 -7.913 -1.525 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 843 -9.973 -2.319 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.532 -1.537 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.196 0.084 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -10.053 0.600 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -7.724 -2.964 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.706 0.287 1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.380 -3.283 1.406 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.530 -2.509 3.124 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.247 0.842 -4.250 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.191 1.945 -4.382 1.00 0.00 C ATOM 1059 C ILE A 844 -12.452 1.504 -5.116 1.00 0.00 C ATOM 1060 O ILE A 844 -13.564 1.675 -4.618 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.564 3.136 -5.130 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.275 3.581 -4.436 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.553 4.290 -5.212 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.320 3.442 -2.931 1.00 0.00 C ATOM 0 H ILE A 844 -9.311 1.044 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.453 2.259 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.318 2.820 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.442 2.993 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -9.075 4.622 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.095 5.124 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.447 3.966 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -11.826 4.607 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.373 3.776 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.131 4.052 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -9.488 2.398 -2.667 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.271 0.935 -6.304 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.395 0.468 -7.107 1.00 0.00 C ATOM 1078 C GLU A 845 -14.377 -0.331 -6.255 1.00 0.00 C ATOM 1079 O GLU A 845 -15.592 -0.177 -6.379 1.00 0.00 O ATOM 1080 CB GLU A 845 -12.897 -0.389 -8.272 1.00 0.00 C ATOM 1081 CG GLU A 845 -12.503 0.418 -9.497 1.00 0.00 C ATOM 1082 CD GLU A 845 -13.687 0.743 -10.387 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -14.459 -0.185 -10.709 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -13.842 1.924 -10.763 1.00 0.00 O ATOM 0 H GLU A 845 -11.357 0.786 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.913 1.341 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.039 -0.973 -7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -13.677 -1.098 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -12.027 1.346 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -11.763 -0.139 -10.072 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.841 -1.186 -5.391 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.668 -2.011 -4.517 1.00 0.00 C ATOM 1093 C LYS A 846 -15.470 -1.145 -3.551 1.00 0.00 C ATOM 1094 O LYS A 846 -16.673 -1.341 -3.380 1.00 0.00 O ATOM 1095 CB LYS A 846 -13.795 -2.994 -3.734 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.549 -4.217 -3.242 1.00 0.00 C ATOM 1097 CD LYS A 846 -13.627 -5.189 -2.524 1.00 0.00 C ATOM 1098 CE LYS A 846 -14.408 -6.149 -1.640 1.00 0.00 C ATOM 1099 NZ LYS A 846 -13.509 -6.967 -0.780 1.00 0.00 N ATOM 0 H LYS A 846 -12.837 -1.326 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.366 -2.571 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -12.969 -3.317 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.359 -2.478 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -15.348 -3.907 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.021 -4.719 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -13.051 -5.754 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -12.912 -4.633 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -15.097 -5.585 -1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -15.012 -6.808 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -14.079 -7.608 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -12.868 -7.525 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -12.951 -6.340 -0.166 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.796 -0.187 -2.924 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.448 0.710 -1.977 1.00 0.00 C ATOM 1115 C ILE A 847 -16.657 1.392 -2.608 1.00 0.00 C ATOM 1116 O ILE A 847 -17.792 1.182 -2.183 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.476 1.788 -1.462 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.239 1.136 -0.840 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.170 2.689 -0.453 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.114 2.110 -0.569 1.00 0.00 C ATOM 0 H ILE A 847 -13.800 -0.012 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 847 -15.777 0.097 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.156 2.400 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.524 0.653 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -12.878 0.352 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.470 3.445 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.022 3.177 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.516 2.092 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.271 1.578 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.802 2.574 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.458 2.880 0.121 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.405 2.207 -3.627 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.473 2.916 -4.320 1.00 0.00 C ATOM 1134 C ALA A 848 -18.578 1.959 -4.752 1.00 0.00 C ATOM 1135 O ALA A 848 -19.764 2.263 -4.622 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.917 3.662 -5.525 1.00 0.00 C ATOM 0 H ALA A 848 -15.470 2.392 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 848 -17.905 3.638 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.726 4.187 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -16.169 4.382 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.457 2.952 -6.212 1.00 0.00 H new ATOM 1142 N LYS A 849 -18.182 0.800 -5.268 1.00 0.00 N ATOM 1143 CA LYS A 849 -19.138 -0.204 -5.719 1.00 0.00 C ATOM 1144 C LYS A 849 -20.156 -0.515 -4.627 1.00 0.00 C ATOM 1145 O LYS A 849 -21.364 -0.468 -4.860 1.00 0.00 O ATOM 1146 CB LYS A 849 -18.408 -1.485 -6.131 1.00 0.00 C ATOM 1147 CG LYS A 849 -19.254 -2.422 -6.976 1.00 0.00 C ATOM 1148 CD LYS A 849 -20.284 -3.155 -6.134 1.00 0.00 C ATOM 1149 CE LYS A 849 -20.735 -4.445 -6.803 1.00 0.00 C ATOM 1150 NZ LYS A 849 -19.630 -5.439 -6.892 1.00 0.00 N ATOM 0 H LYS A 849 -17.204 0.533 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 849 -19.669 0.198 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 849 -17.510 -1.218 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 849 -18.082 -2.012 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 849 -19.759 -1.853 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 849 -18.609 -3.145 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 849 -19.861 -3.380 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 849 -21.146 -2.509 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 849 -21.565 -4.874 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 849 -21.107 -4.225 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 849 -20.029 -6.397 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 849 -19.054 -5.243 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 849 -19.034 -5.372 -6.043 1.00 0.00 H new ATOM 1164 N ASN A 850 -19.661 -0.832 -3.435 1.00 0.00 N ATOM 1165 CA ASN A 850 -20.529 -1.150 -2.307 1.00 0.00 C ATOM 1166 C ASN A 850 -20.658 0.045 -1.367 1.00 0.00 C ATOM 1167 O ASN A 850 -19.675 0.493 -0.776 1.00 0.00 O ATOM 1168 CB ASN A 850 -19.984 -2.358 -1.542 1.00 0.00 C ATOM 1169 CG ASN A 850 -19.842 -3.584 -2.424 1.00 0.00 C ATOM 1170 OD1 ASN A 850 -20.685 -4.480 -2.401 1.00 0.00 O ATOM 1171 ND2 ASN A 850 -18.770 -3.628 -3.207 1.00 0.00 N ATOM 0 H ASN A 850 -18.664 -0.876 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 850 -21.518 -1.392 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -19.013 -2.106 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -20.649 -2.588 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -18.620 -4.428 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -18.097 -2.862 -3.193 1.00 0.00 H new ATOM 1178 N LEU A 851 -21.877 0.555 -1.232 1.00 0.00 N ATOM 1179 CA LEU A 851 -22.137 1.698 -0.363 1.00 0.00 C ATOM 1180 C LEU A 851 -23.141 1.336 0.727 1.00 0.00 C ATOM 1181 O LEU A 851 -24.316 1.099 0.448 1.00 0.00 O ATOM 1182 CB LEU A 851 -22.660 2.879 -1.183 1.00 0.00 C ATOM 1183 CG LEU A 851 -22.725 4.223 -0.457 1.00 0.00 C ATOM 1184 CD1 LEU A 851 -21.326 4.771 -0.221 1.00 0.00 C ATOM 1185 CD2 LEU A 851 -23.563 5.216 -1.249 1.00 0.00 C ATOM 0 H LEU A 851 -22.701 0.195 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 851 -21.199 1.982 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -22.026 2.994 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -23.660 2.633 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 851 -23.200 4.069 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -21.393 5.728 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -20.758 4.068 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -20.824 4.911 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -23.599 6.167 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -23.117 5.366 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -24.575 4.827 -1.365 1.00 0.00 H new ATOM 1197 N ASP A 852 -22.670 1.298 1.968 1.00 0.00 N ATOM 1198 CA ASP A 852 -23.527 0.969 3.101 1.00 0.00 C ATOM 1199 C ASP A 852 -24.911 1.588 2.933 1.00 0.00 C ATOM 1200 O ASP A 852 -25.100 2.782 3.164 1.00 0.00 O ATOM 1201 CB ASP A 852 -22.893 1.454 4.406 1.00 0.00 C ATOM 1202 CG ASP A 852 -23.602 0.912 5.631 1.00 0.00 C ATOM 1203 OD1 ASP A 852 -24.699 1.415 5.952 1.00 0.00 O ATOM 1204 OD2 ASP A 852 -23.060 -0.015 6.270 1.00 0.00 O ATOM 0 H ASP A 852 -21.699 1.491 2.215 1.00 0.00 H new ATOM 0 HA ASP A 852 -23.635 -0.115 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 852 -21.846 1.151 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 852 -22.911 2.544 4.432 1.00 0.00 H new ATOM 1209 N SER A 853 -25.875 0.767 2.529 1.00 0.00 N ATOM 1210 CA SER A 853 -27.241 1.235 2.325 1.00 0.00 C ATOM 1211 C SER A 853 -28.180 0.645 3.374 1.00 0.00 C ATOM 1212 O SER A 853 -28.580 -0.515 3.282 1.00 0.00 O ATOM 1213 CB SER A 853 -27.727 0.862 0.923 1.00 0.00 C ATOM 1214 OG SER A 853 -28.870 1.617 0.561 1.00 0.00 O ATOM 0 H SER A 853 -25.736 -0.225 2.337 1.00 0.00 H new ATOM 0 HA SER A 853 -27.245 2.320 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 853 -26.929 1.035 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 853 -27.964 -0.201 0.888 1.00 0.00 H new ATOM 0 HG SER A 853 -29.159 1.361 -0.340 1.00 0.00 H new ATOM 1220 N SER A 854 -28.526 1.454 4.370 1.00 0.00 N ATOM 1221 CA SER A 854 -29.413 1.013 5.440 1.00 0.00 C ATOM 1222 C SER A 854 -30.868 1.320 5.099 1.00 0.00 C ATOM 1223 O SER A 854 -31.427 2.317 5.555 1.00 0.00 O ATOM 1224 CB SER A 854 -29.033 1.689 6.759 1.00 0.00 C ATOM 1225 OG SER A 854 -27.862 1.110 7.309 1.00 0.00 O ATOM 0 H SER A 854 -28.206 2.418 4.458 1.00 0.00 H new ATOM 0 HA SER A 854 -29.302 -0.066 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 854 -28.872 2.754 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 854 -29.856 1.598 7.468 1.00 0.00 H new ATOM 0 HG SER A 854 -27.639 1.560 8.150 1.00 0.00 H new ATOM 1231 N GLY A 855 -31.476 0.455 4.293 1.00 0.00 N ATOM 1232 CA GLY A 855 -32.861 0.650 3.904 1.00 0.00 C ATOM 1233 C GLY A 855 -33.766 -0.456 4.409 1.00 0.00 C ATOM 1234 O GLY A 855 -33.390 -1.251 5.271 1.00 0.00 O ATOM 0 H GLY A 855 -31.034 -0.377 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 855 -33.212 1.607 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 855 -32.926 0.701 2.817 1.00 0.00 H new ATOM 1238 N PRO A 856 -34.992 -0.516 3.868 1.00 0.00 N ATOM 1239 CA PRO A 856 -35.980 -1.527 4.255 1.00 0.00 C ATOM 1240 C PRO A 856 -35.596 -2.924 3.780 1.00 0.00 C ATOM 1241 O PRO A 856 -36.278 -3.903 4.083 1.00 0.00 O ATOM 1242 CB PRO A 856 -37.260 -1.059 3.558 1.00 0.00 C ATOM 1243 CG PRO A 856 -36.786 -0.259 2.394 1.00 0.00 C ATOM 1244 CD PRO A 856 -35.509 0.400 2.837 1.00 0.00 C ATOM 0 HA PRO A 856 -36.074 -1.610 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 856 -37.868 -1.905 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 856 -37.878 -0.459 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 856 -36.616 -0.896 1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 856 -37.528 0.484 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 856 -34.807 0.512 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 856 -35.690 1.397 3.239 1.00 0.00 H new ATOM 1252 N SER A 857 -34.498 -3.010 3.035 1.00 0.00 N ATOM 1253 CA SER A 857 -34.025 -4.287 2.515 1.00 0.00 C ATOM 1254 C SER A 857 -33.189 -5.022 3.558 1.00 0.00 C ATOM 1255 O SER A 857 -32.068 -4.617 3.869 1.00 0.00 O ATOM 1256 CB SER A 857 -33.201 -4.071 1.244 1.00 0.00 C ATOM 1257 OG SER A 857 -32.000 -3.375 1.527 1.00 0.00 O ATOM 0 H SER A 857 -33.920 -2.210 2.778 1.00 0.00 H new ATOM 0 HA SER A 857 -34.895 -4.898 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 857 -32.968 -5.034 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 857 -33.788 -3.509 0.517 1.00 0.00 H new ATOM 0 HG SER A 857 -31.765 -3.498 2.470 1.00 0.00 H new ATOM 1263 N SER A 858 -33.742 -6.104 4.096 1.00 0.00 N ATOM 1264 CA SER A 858 -33.049 -6.894 5.108 1.00 0.00 C ATOM 1265 C SER A 858 -31.868 -7.642 4.498 1.00 0.00 C ATOM 1266 O SER A 858 -31.794 -7.824 3.283 1.00 0.00 O ATOM 1267 CB SER A 858 -34.015 -7.887 5.759 1.00 0.00 C ATOM 1268 OG SER A 858 -34.713 -7.286 6.836 1.00 0.00 O ATOM 0 H SER A 858 -34.668 -6.454 3.848 1.00 0.00 H new ATOM 0 HA SER A 858 -32.671 -6.213 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 858 -34.726 -8.248 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 858 -33.462 -8.755 6.119 1.00 0.00 H new ATOM 0 HG SER A 858 -35.325 -7.939 7.234 1.00 0.00 H new ATOM 1274 N GLY A 859 -30.945 -8.075 5.351 1.00 0.00 N ATOM 1275 CA GLY A 859 -29.779 -8.798 4.879 1.00 0.00 C ATOM 1276 C GLY A 859 -29.388 -9.935 5.803 1.00 0.00 C ATOM 1277 O GLY A 859 -30.194 -10.388 6.615 1.00 0.00 O ATOM 0 H GLY A 859 -30.984 -7.938 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 859 -29.980 -9.195 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 859 -28.941 -8.107 4.783 1.00 0.00 H new TER 1281 GLY A 859