USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=16 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 835 ASN : amide:sc= 0.457 K(o=1.2,f=0.55) USER MOD Set 1.2: A 838 LYS NZ :NH3+ -174:sc= 0.74 (180deg=0.72) USER MOD Set 2.1: A 817 LYS NZ :NH3+ -112:sc= -0.373 (180deg=-2.15!) USER MOD Set 2.2: A 854 TYR OH : rot 180:sc= -0.186 USER MOD Set 3.1: A 799 ASN : amide:sc= -2.26! C(o=-1.2!,f=-5.5!) USER MOD Set 3.2: A 803 SER OG : rot -67:sc= 1.07 USER MOD Set 4.1: A 782 THR OG1 : rot 180:sc= 0.00147 USER MOD Set 4.2: A 850 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.51) USER MOD Single : A 777 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 779 SER OG : rot 180:sc= -0.133 USER MOD Single : A 787 LYS NZ :NH3+ -144:sc= -0.508 (180deg=-1.77!) USER MOD Single : A 790 ASN : amide:sc= -1.07 K(o=-1.1,f=0.12) USER MOD Single : A 796 MET CE :methyl -143:sc= 0 (180deg=-0.974) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 804 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.2!) USER MOD Single : A 805 THR OG1 : rot 180:sc= -0.0831 USER MOD Single : A 806 HIS : no HD1:sc= -0.493 K(o=-0.49,f=0.013) USER MOD Single : A 807 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.4!) USER MOD Single : A 808 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 809 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.14) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ -130:sc= -0.0279 (180deg=-1.59!) USER MOD Single : A 818 TYR OH : rot 130:sc= 1.16 USER MOD Single : A 819 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 840 MET CE :methyl 144:sc= -0.36 (180deg=-3.34!) USER MOD Single : A 844 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 845 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.032) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -8.318 16.801 11.858 1.00 9.10 N ATOM 2 CA GLY A 775 -8.623 15.382 11.526 1.00 8.80 C ATOM 3 C GLY A 775 -7.729 14.840 10.428 1.00 8.11 C ATOM 4 O GLY A 775 -6.709 15.444 10.098 1.00 8.12 O ATOM 0 HA2 GLY A 775 -8.507 14.770 12.420 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -9.665 15.300 11.216 1.00 8.80 H new ATOM 10 N ALA A 776 -8.116 13.699 9.862 1.00 7.81 N ATOM 11 CA ALA A 776 -7.346 13.069 8.794 1.00 7.43 C ATOM 12 C ALA A 776 -5.913 12.793 9.235 1.00 6.66 C ATOM 13 O ALA A 776 -5.024 13.626 9.053 1.00 6.79 O ATOM 14 CB ALA A 776 -7.361 13.943 7.547 1.00 8.12 C ATOM 0 H ALA A 776 -8.960 13.191 10.127 1.00 7.81 H new ATOM 0 HA ALA A 776 -7.813 12.112 8.560 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -6.783 13.461 6.758 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -8.389 14.080 7.211 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -6.922 14.914 7.778 1.00 8.12 H new ATOM 20 N MET A 777 -5.695 11.618 9.820 1.00 6.18 N ATOM 21 CA MET A 777 -4.370 11.230 10.289 1.00 5.71 C ATOM 22 C MET A 777 -4.081 9.770 9.955 1.00 5.06 C ATOM 23 O MET A 777 -4.142 8.896 10.823 1.00 5.55 O ATOM 24 CB MET A 777 -4.254 11.455 11.799 1.00 6.17 C ATOM 25 CG MET A 777 -5.501 11.060 12.574 1.00 6.70 C ATOM 26 SD MET A 777 -5.120 10.350 14.187 1.00 7.49 S ATOM 27 CE MET A 777 -6.545 10.882 15.134 1.00 8.34 C ATOM 0 H MET A 777 -6.420 10.919 9.980 1.00 6.18 H new ATOM 0 HA MET A 777 -3.634 11.852 9.779 1.00 5.71 H new ATOM 0 HB2 MET A 777 -3.406 10.885 12.178 1.00 6.17 H new ATOM 0 HB3 MET A 777 -4.040 12.507 11.985 1.00 6.17 H new ATOM 0 HG2 MET A 777 -6.134 11.937 12.708 1.00 6.70 H new ATOM 0 HG3 MET A 777 -6.074 10.339 11.990 1.00 6.70 H new ATOM 0 HE1 MET A 777 -6.457 10.520 16.158 1.00 8.34 H new ATOM 0 HE2 MET A 777 -6.594 11.971 15.137 1.00 8.34 H new ATOM 0 HE3 MET A 777 -7.452 10.479 14.683 1.00 8.34 H new ATOM 37 N GLY A 778 -3.767 9.510 8.689 1.00 4.25 N ATOM 38 CA GLY A 778 -3.473 8.155 8.259 1.00 3.79 C ATOM 39 C GLY A 778 -4.452 7.651 7.217 1.00 2.65 C ATOM 40 O GLY A 778 -5.572 8.148 7.117 1.00 2.91 O ATOM 0 H GLY A 778 -3.711 10.214 7.953 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -2.463 8.118 7.852 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -3.493 7.491 9.123 1.00 3.79 H new ATOM 44 N SER A 779 -4.025 6.660 6.441 1.00 1.98 N ATOM 45 CA SER A 779 -4.870 6.087 5.400 1.00 1.35 C ATOM 46 C SER A 779 -4.554 4.609 5.190 1.00 1.02 C ATOM 47 O SER A 779 -3.760 4.024 5.925 1.00 1.06 O ATOM 48 CB SER A 779 -4.685 6.852 4.087 1.00 2.12 C ATOM 49 OG SER A 779 -3.474 7.591 4.095 1.00 2.61 O ATOM 0 H SER A 779 -3.099 6.237 6.513 1.00 1.98 H new ATOM 0 HA SER A 779 -5.908 6.174 5.722 1.00 1.35 H new ATOM 0 HB2 SER A 779 -4.682 6.152 3.251 1.00 2.12 H new ATOM 0 HB3 SER A 779 -5.526 7.528 3.934 1.00 2.12 H new ATOM 0 HG SER A 779 -3.377 8.070 3.245 1.00 2.61 H new ATOM 55 N ILE A 780 -5.180 4.015 4.177 1.00 0.79 N ATOM 56 CA ILE A 780 -4.964 2.607 3.865 1.00 0.51 C ATOM 57 C ILE A 780 -4.432 2.442 2.445 1.00 0.46 C ATOM 58 O ILE A 780 -4.184 3.426 1.747 1.00 0.53 O ATOM 59 CB ILE A 780 -6.263 1.783 4.008 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.290 2.532 4.861 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.960 0.420 4.613 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.699 2.001 4.715 1.00 1.22 C ATOM 0 H ILE A 780 -5.840 4.487 3.559 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.230 2.236 4.581 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.688 1.637 3.015 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -6.994 2.471 5.908 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.278 3.587 4.587 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.884 -0.150 4.708 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.267 -0.119 3.967 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.512 0.551 5.598 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.373 2.579 5.348 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.014 2.087 3.675 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.726 0.954 5.017 1.00 1.22 H new ATOM 74 N PHE A 781 -4.266 1.192 2.017 1.00 0.39 N ATOM 75 CA PHE A 781 -3.777 0.898 0.686 1.00 0.36 C ATOM 76 C PHE A 781 -4.320 -0.444 0.232 1.00 0.30 C ATOM 77 O PHE A 781 -3.757 -1.493 0.534 1.00 0.35 O ATOM 78 CB PHE A 781 -2.250 0.896 0.658 1.00 0.41 C ATOM 79 CG PHE A 781 -1.679 1.660 -0.501 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.666 3.045 -0.489 1.00 0.81 C ATOM 81 CD2 PHE A 781 -1.161 0.996 -1.600 1.00 0.73 C ATOM 82 CE1 PHE A 781 -1.142 3.754 -1.553 1.00 0.94 C ATOM 83 CE2 PHE A 781 -0.636 1.699 -2.666 1.00 0.80 C ATOM 84 CZ PHE A 781 -0.626 3.081 -2.644 1.00 0.73 C ATOM 0 H PHE A 781 -4.466 0.367 2.582 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.123 1.674 0.003 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.875 1.325 1.587 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.895 -0.134 0.616 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.069 3.576 0.360 1.00 0.81 H new ATOM 0 HD2 PHE A 781 -1.168 -0.084 -1.624 1.00 0.73 H new ATOM 0 HE1 PHE A 781 -1.136 4.834 -1.532 1.00 0.94 H new ATOM 0 HE2 PHE A 781 -0.233 1.169 -3.517 1.00 0.80 H new ATOM 0 HZ PHE A 781 -0.216 3.633 -3.477 1.00 0.73 H new ATOM 94 N THR A 782 -5.432 -0.399 -0.477 1.00 0.28 N ATOM 95 CA THR A 782 -6.080 -1.609 -0.960 1.00 0.29 C ATOM 96 C THR A 782 -5.708 -1.893 -2.409 1.00 0.35 C ATOM 97 O THR A 782 -6.263 -1.299 -3.336 1.00 0.52 O ATOM 98 CB THR A 782 -7.612 -1.507 -0.842 1.00 0.41 C ATOM 99 OG1 THR A 782 -7.970 -0.358 -0.064 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.187 -2.759 -0.196 1.00 0.44 C ATOM 0 H THR A 782 -5.909 0.465 -0.733 1.00 0.28 H new ATOM 0 HA THR A 782 -5.728 -2.429 -0.334 1.00 0.29 H new ATOM 0 HB THR A 782 -8.026 -1.409 -1.846 1.00 0.41 H new ATOM 0 HG1 THR A 782 -8.946 -0.300 0.004 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.270 -2.666 -0.122 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.938 -3.629 -0.804 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.765 -2.880 0.802 1.00 0.44 H new ATOM 108 N LEU A 783 -4.763 -2.808 -2.590 1.00 0.40 N ATOM 109 CA LEU A 783 -4.299 -3.187 -3.917 1.00 0.56 C ATOM 110 C LEU A 783 -4.830 -4.565 -4.297 1.00 0.58 C ATOM 111 O LEU A 783 -4.895 -5.468 -3.463 1.00 0.99 O ATOM 112 CB LEU A 783 -2.772 -3.188 -3.955 1.00 0.67 C ATOM 113 CG LEU A 783 -2.155 -3.048 -5.346 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.365 -1.753 -5.452 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.269 -4.244 -5.655 1.00 1.53 C ATOM 0 H LEU A 783 -4.301 -3.304 -1.828 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.675 -2.460 -4.637 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.409 -2.372 -3.330 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.414 -4.116 -3.508 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.960 -3.017 -6.080 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.933 -1.671 -6.449 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.028 -0.907 -5.273 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.567 -1.752 -4.710 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.837 -4.130 -6.649 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.470 -4.305 -4.917 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.864 -5.156 -5.621 1.00 1.53 H new ATOM 127 N LEU A 784 -5.208 -4.722 -5.560 1.00 0.27 N ATOM 128 CA LEU A 784 -5.729 -5.989 -6.048 1.00 0.26 C ATOM 129 C LEU A 784 -4.603 -7.001 -6.211 1.00 0.23 C ATOM 130 O LEU A 784 -3.717 -6.836 -7.049 1.00 0.29 O ATOM 131 CB LEU A 784 -6.456 -5.789 -7.377 1.00 0.31 C ATOM 132 CG LEU A 784 -6.926 -7.073 -8.064 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.408 -6.994 -8.389 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.115 -7.328 -9.327 1.00 0.75 C ATOM 0 H LEU A 784 -5.163 -3.985 -6.264 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.439 -6.374 -5.316 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.322 -5.150 -7.206 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.794 -5.254 -8.058 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.770 -7.906 -7.379 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.723 -7.916 -8.877 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.976 -6.858 -7.468 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.590 -6.151 -9.055 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.462 -8.245 -9.803 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.240 -6.492 -10.015 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.061 -7.430 -9.068 1.00 0.75 H new ATOM 146 N VAL A 785 -4.650 -8.042 -5.396 1.00 0.25 N ATOM 147 CA VAL A 785 -3.636 -9.092 -5.428 1.00 0.30 C ATOM 148 C VAL A 785 -4.181 -10.364 -6.069 1.00 0.34 C ATOM 149 O VAL A 785 -5.213 -10.342 -6.740 1.00 0.55 O ATOM 150 CB VAL A 785 -3.127 -9.419 -4.011 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.446 -8.207 -3.395 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.270 -9.902 -3.129 1.00 1.18 C ATOM 0 H VAL A 785 -5.382 -8.186 -4.700 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.807 -8.716 -6.027 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.393 -10.221 -4.086 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.093 -8.457 -2.394 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.600 -7.911 -4.015 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.156 -7.383 -3.334 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.890 -10.128 -2.133 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.030 -9.124 -3.060 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.709 -10.801 -3.562 1.00 1.18 H new ATOM 162 N GLU A 786 -3.479 -11.475 -5.860 1.00 0.38 N ATOM 163 CA GLU A 786 -3.892 -12.757 -6.420 1.00 0.42 C ATOM 164 C GLU A 786 -3.451 -13.915 -5.528 1.00 0.46 C ATOM 165 O GLU A 786 -2.670 -13.729 -4.594 1.00 0.48 O ATOM 166 CB GLU A 786 -3.314 -12.929 -7.827 1.00 0.43 C ATOM 167 CG GLU A 786 -4.204 -13.742 -8.753 1.00 0.56 C ATOM 168 CD GLU A 786 -4.932 -12.878 -9.765 1.00 0.75 C ATOM 169 OE1 GLU A 786 -5.788 -12.070 -9.349 1.00 1.40 O ATOM 170 OE2 GLU A 786 -4.646 -13.011 -10.974 1.00 1.02 O ATOM 0 H GLU A 786 -2.622 -11.512 -5.307 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.981 -12.766 -6.476 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.149 -11.945 -8.266 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.340 -13.413 -7.754 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.598 -14.480 -9.279 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.933 -14.293 -8.159 1.00 0.56 H new ATOM 177 N LYS A 787 -3.962 -15.108 -5.819 1.00 0.51 N ATOM 178 CA LYS A 787 -3.627 -16.298 -5.043 1.00 0.57 C ATOM 179 C LYS A 787 -2.265 -16.851 -5.454 1.00 0.60 C ATOM 180 O LYS A 787 -1.714 -17.732 -4.793 1.00 1.07 O ATOM 181 CB LYS A 787 -4.701 -17.371 -5.226 1.00 0.64 C ATOM 182 CG LYS A 787 -5.586 -17.562 -4.005 1.00 1.29 C ATOM 183 CD LYS A 787 -6.559 -16.407 -3.834 1.00 1.49 C ATOM 184 CE LYS A 787 -7.857 -16.655 -4.587 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.711 -16.407 -6.048 1.00 2.85 N ATOM 0 H LYS A 787 -4.611 -15.276 -6.588 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.582 -16.014 -3.992 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.326 -17.106 -6.079 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -4.219 -18.318 -5.466 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.141 -18.495 -4.099 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -4.964 -17.650 -3.114 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -6.773 -16.264 -2.775 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.099 -15.486 -4.193 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -8.180 -17.683 -4.424 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -8.638 -16.009 -4.186 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.589 -15.991 -6.419 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -6.921 -15.750 -6.211 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -7.521 -17.306 -6.535 1.00 2.85 H new ATOM 199 N VAL A 788 -1.730 -16.322 -6.547 1.00 0.29 N ATOM 200 CA VAL A 788 -0.432 -16.751 -7.055 1.00 0.29 C ATOM 201 C VAL A 788 0.669 -15.798 -6.597 1.00 0.26 C ATOM 202 O VAL A 788 1.828 -16.189 -6.458 1.00 0.29 O ATOM 203 CB VAL A 788 -0.434 -16.822 -8.597 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.991 -15.537 -9.188 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.965 -17.095 -9.132 1.00 0.33 C ATOM 0 H VAL A 788 -2.177 -15.592 -7.101 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.238 -17.746 -6.655 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.077 -17.649 -8.898 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.985 -15.604 -10.276 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.013 -15.389 -8.839 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.375 -14.695 -8.873 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.936 -17.140 -10.221 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.636 -16.295 -8.820 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.326 -18.045 -8.739 1.00 0.33 H new ATOM 215 N TRP A 789 0.291 -14.545 -6.372 1.00 0.21 N ATOM 216 CA TRP A 789 1.235 -13.523 -5.939 1.00 0.18 C ATOM 217 C TRP A 789 2.005 -13.961 -4.700 1.00 0.18 C ATOM 218 O TRP A 789 1.420 -14.187 -3.642 1.00 0.19 O ATOM 219 CB TRP A 789 0.503 -12.218 -5.636 1.00 0.18 C ATOM 220 CG TRP A 789 0.171 -11.434 -6.864 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.054 -11.915 -8.135 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.084 -10.030 -6.939 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.255 -10.895 -8.996 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.347 -9.725 -8.286 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.115 -9.001 -5.995 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.637 -8.432 -8.714 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.404 -7.719 -6.418 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.662 -7.442 -7.767 1.00 0.30 C ATOM 0 H TRP A 789 -0.667 -14.212 -6.483 1.00 0.21 H new ATOM 0 HA TRP A 789 1.943 -13.370 -6.753 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.417 -12.441 -5.095 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.120 -11.607 -4.977 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.186 -12.948 -8.421 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.394 -10.990 -10.002 1.00 0.25 H new ATOM 0 HE3 TRP A 789 0.084 -9.205 -4.953 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.835 -8.217 -9.754 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.432 -6.916 -5.697 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -0.885 -6.429 -8.066 1.00 0.30 H new ATOM 239 N ASN A 790 3.323 -14.049 -4.831 1.00 0.18 N ATOM 240 CA ASN A 790 4.171 -14.428 -3.711 1.00 0.20 C ATOM 241 C ASN A 790 4.471 -13.195 -2.870 1.00 0.18 C ATOM 242 O ASN A 790 4.196 -12.075 -3.296 1.00 0.20 O ATOM 243 CB ASN A 790 5.476 -15.057 -4.207 1.00 0.24 C ATOM 244 CG ASN A 790 5.332 -15.686 -5.578 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.081 -16.885 -5.700 1.00 1.89 O ATOM 246 ND2 ASN A 790 5.494 -14.878 -6.621 1.00 0.77 N ATOM 0 H ASN A 790 3.825 -13.863 -5.699 1.00 0.18 H new ATOM 0 HA ASN A 790 3.648 -15.167 -3.104 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.254 -14.294 -4.241 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.804 -15.815 -3.496 1.00 0.24 H new ATOM 0 HD21 ASN A 790 5.411 -15.246 -7.569 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.701 -13.890 -6.474 1.00 0.77 H new ATOM 253 N PHE A 791 5.029 -13.394 -1.681 1.00 0.20 N ATOM 254 CA PHE A 791 5.354 -12.272 -0.805 1.00 0.20 C ATOM 255 C PHE A 791 6.210 -11.253 -1.550 1.00 0.16 C ATOM 256 O PHE A 791 6.195 -10.063 -1.235 1.00 0.17 O ATOM 257 CB PHE A 791 6.068 -12.776 0.460 1.00 0.26 C ATOM 258 CG PHE A 791 7.010 -11.781 1.078 1.00 0.35 C ATOM 259 CD1 PHE A 791 6.521 -10.689 1.778 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.382 -11.935 0.958 1.00 0.47 C ATOM 261 CE1 PHE A 791 7.381 -9.771 2.346 1.00 0.57 C ATOM 262 CE2 PHE A 791 9.248 -11.018 1.524 1.00 0.59 C ATOM 263 CZ PHE A 791 8.755 -9.946 2.224 1.00 0.63 C ATOM 0 H PHE A 791 5.264 -14.312 -1.303 1.00 0.20 H new ATOM 0 HA PHE A 791 4.431 -11.780 -0.500 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.317 -13.056 1.199 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.624 -13.680 0.213 1.00 0.26 H new ATOM 0 HD1 PHE A 791 5.454 -10.555 1.880 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.779 -12.781 0.416 1.00 0.47 H new ATOM 0 HE1 PHE A 791 6.988 -8.920 2.883 1.00 0.57 H new ATOM 0 HE2 PHE A 791 10.315 -11.146 1.415 1.00 0.59 H new ATOM 0 HZ PHE A 791 9.433 -9.239 2.679 1.00 0.63 H new ATOM 273 N ASP A 792 6.928 -11.726 -2.561 1.00 0.17 N ATOM 274 CA ASP A 792 7.763 -10.856 -3.374 1.00 0.17 C ATOM 275 C ASP A 792 6.904 -10.131 -4.396 1.00 0.16 C ATOM 276 O ASP A 792 6.866 -8.903 -4.420 1.00 0.19 O ATOM 277 CB ASP A 792 8.848 -11.662 -4.081 1.00 0.22 C ATOM 278 CG ASP A 792 9.745 -12.404 -3.109 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.449 -11.738 -2.322 1.00 1.47 O ATOM 280 OD2 ASP A 792 9.742 -13.653 -3.134 1.00 2.05 O ATOM 0 H ASP A 792 6.948 -12.708 -2.836 1.00 0.17 H new ATOM 0 HA ASP A 792 8.245 -10.125 -2.724 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.382 -12.377 -4.759 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.454 -10.993 -4.692 1.00 0.22 H new ATOM 285 N ASP A 793 6.191 -10.898 -5.224 1.00 0.17 N ATOM 286 CA ASP A 793 5.308 -10.312 -6.225 1.00 0.18 C ATOM 287 C ASP A 793 4.366 -9.333 -5.543 1.00 0.17 C ATOM 288 O ASP A 793 3.820 -8.423 -6.171 1.00 0.24 O ATOM 289 CB ASP A 793 4.511 -11.404 -6.937 1.00 0.19 C ATOM 290 CG ASP A 793 5.161 -11.846 -8.233 1.00 0.56 C ATOM 291 OD1 ASP A 793 6.287 -12.383 -8.179 1.00 1.04 O ATOM 292 OD2 ASP A 793 4.545 -11.653 -9.302 1.00 1.07 O ATOM 0 H ASP A 793 6.210 -11.918 -5.219 1.00 0.17 H new ATOM 0 HA ASP A 793 5.904 -9.786 -6.970 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.407 -12.264 -6.275 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.505 -11.038 -7.145 1.00 0.19 H new ATOM 297 N LEU A 794 4.205 -9.530 -4.241 1.00 0.14 N ATOM 298 CA LEU A 794 3.360 -8.678 -3.422 1.00 0.15 C ATOM 299 C LEU A 794 4.053 -7.347 -3.158 1.00 0.15 C ATOM 300 O LEU A 794 3.717 -6.325 -3.755 1.00 0.17 O ATOM 301 CB LEU A 794 3.059 -9.369 -2.085 1.00 0.19 C ATOM 302 CG LEU A 794 2.082 -8.640 -1.162 1.00 0.26 C ATOM 303 CD1 LEU A 794 2.850 -7.799 -0.167 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.090 -7.784 -1.948 1.00 0.70 C ATOM 0 H LEU A 794 4.657 -10.285 -3.725 1.00 0.14 H new ATOM 0 HA LEU A 794 2.427 -8.497 -3.956 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.660 -10.362 -2.293 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.999 -9.508 -1.550 1.00 0.19 H new ATOM 0 HG LEU A 794 1.500 -9.388 -0.624 1.00 0.26 H new ATOM 0 HD11 LEU A 794 2.150 -7.281 0.489 1.00 0.93 H new ATOM 0 HD12 LEU A 794 3.498 -8.442 0.429 1.00 0.93 H new ATOM 0 HD13 LEU A 794 3.456 -7.067 -0.701 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.414 -7.283 -1.256 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.633 -7.038 -2.529 1.00 0.70 H new ATOM 0 HD23 LEU A 794 0.515 -8.419 -2.621 1.00 0.70 H new ATOM 316 N ILE A 795 5.019 -7.384 -2.246 1.00 0.19 N ATOM 317 CA ILE A 795 5.782 -6.199 -1.863 1.00 0.22 C ATOM 318 C ILE A 795 6.232 -5.390 -3.076 1.00 0.21 C ATOM 319 O ILE A 795 6.272 -4.165 -3.021 1.00 0.23 O ATOM 320 CB ILE A 795 7.011 -6.591 -1.019 1.00 0.26 C ATOM 321 CG1 ILE A 795 6.581 -6.995 0.395 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.030 -5.457 -0.965 1.00 0.28 C ATOM 323 CD1 ILE A 795 5.863 -5.897 1.155 1.00 0.32 C ATOM 0 H ILE A 795 5.295 -8.233 -1.752 1.00 0.19 H new ATOM 0 HA ILE A 795 5.117 -5.574 -1.268 1.00 0.22 H new ATOM 0 HB ILE A 795 7.489 -7.446 -1.498 1.00 0.26 H new ATOM 0 HG12 ILE A 795 5.929 -7.866 0.331 1.00 0.30 H new ATOM 0 HG13 ILE A 795 7.463 -7.298 0.960 1.00 0.30 H new ATOM 0 HG21 ILE A 795 8.885 -5.764 -0.363 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.364 -5.220 -1.975 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.570 -4.575 -0.519 1.00 0.28 H new ATOM 0 HD11 ILE A 795 5.591 -6.259 2.146 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.520 -5.032 1.252 1.00 0.32 H new ATOM 0 HD13 ILE A 795 4.962 -5.609 0.614 1.00 0.32 H new ATOM 335 N MET A 796 6.567 -6.069 -4.166 1.00 0.23 N ATOM 336 CA MET A 796 7.008 -5.384 -5.377 1.00 0.26 C ATOM 337 C MET A 796 5.861 -4.599 -6.000 1.00 0.23 C ATOM 338 O MET A 796 6.010 -3.419 -6.318 1.00 0.22 O ATOM 339 CB MET A 796 7.568 -6.386 -6.388 1.00 0.36 C ATOM 340 CG MET A 796 8.737 -7.200 -5.857 1.00 0.46 C ATOM 341 SD MET A 796 9.857 -7.745 -7.163 1.00 0.67 S ATOM 342 CE MET A 796 10.965 -8.807 -6.238 1.00 1.53 C ATOM 0 H MET A 796 6.543 -7.086 -4.238 1.00 0.23 H new ATOM 0 HA MET A 796 7.798 -4.686 -5.101 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.772 -7.065 -6.692 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.887 -5.848 -7.281 1.00 0.36 H new ATOM 0 HG2 MET A 796 9.292 -6.602 -5.134 1.00 0.46 H new ATOM 0 HG3 MET A 796 8.356 -8.071 -5.324 1.00 0.46 H new ATOM 0 HE1 MET A 796 11.979 -8.698 -6.622 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.944 -8.526 -5.185 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.647 -9.844 -6.343 1.00 1.53 H new ATOM 352 N ALA A 797 4.712 -5.251 -6.160 1.00 0.26 N ATOM 353 CA ALA A 797 3.541 -4.595 -6.730 1.00 0.30 C ATOM 354 C ALA A 797 3.192 -3.356 -5.917 1.00 0.28 C ATOM 355 O ALA A 797 3.072 -2.255 -6.455 1.00 0.30 O ATOM 356 CB ALA A 797 2.363 -5.557 -6.774 1.00 0.38 C ATOM 0 H ALA A 797 4.568 -6.228 -5.904 1.00 0.26 H new ATOM 0 HA ALA A 797 3.769 -4.289 -7.751 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.497 -5.052 -7.202 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.621 -6.420 -7.388 1.00 0.38 H new ATOM 0 HB3 ALA A 797 2.127 -5.889 -5.763 1.00 0.38 H new ATOM 362 N ILE A 798 3.052 -3.549 -4.609 1.00 0.27 N ATOM 363 CA ILE A 798 2.742 -2.459 -3.699 1.00 0.31 C ATOM 364 C ILE A 798 3.788 -1.359 -3.808 1.00 0.29 C ATOM 365 O ILE A 798 3.462 -0.188 -4.003 1.00 0.33 O ATOM 366 CB ILE A 798 2.691 -2.955 -2.246 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.504 -3.901 -2.054 1.00 0.40 C ATOM 368 CG2 ILE A 798 2.621 -1.778 -1.282 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.422 -4.506 -0.667 1.00 0.50 C ATOM 0 H ILE A 798 3.150 -4.458 -4.156 1.00 0.27 H new ATOM 0 HA ILE A 798 1.765 -2.065 -3.978 1.00 0.31 H new ATOM 0 HB ILE A 798 3.605 -3.508 -2.029 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.582 -3.357 -2.258 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.570 -4.705 -2.787 1.00 0.40 H new ATOM 0 HG21 ILE A 798 2.586 -2.148 -0.257 1.00 0.42 H new ATOM 0 HG22 ILE A 798 3.502 -1.150 -1.410 1.00 0.42 H new ATOM 0 HG23 ILE A 798 1.725 -1.192 -1.487 1.00 0.42 H new ATOM 0 HD11 ILE A 798 0.556 -5.165 -0.608 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.327 -5.079 -0.466 1.00 0.50 H new ATOM 0 HD13 ILE A 798 1.324 -3.711 0.072 1.00 0.50 H new ATOM 381 N ASN A 799 5.047 -1.755 -3.672 1.00 0.25 N ATOM 382 CA ASN A 799 6.163 -0.822 -3.744 1.00 0.29 C ATOM 383 C ASN A 799 6.113 0.007 -5.024 1.00 0.27 C ATOM 384 O ASN A 799 6.499 1.174 -5.032 1.00 0.36 O ATOM 385 CB ASN A 799 7.489 -1.575 -3.668 1.00 0.30 C ATOM 386 CG ASN A 799 8.503 -0.875 -2.787 1.00 0.38 C ATOM 387 OD1 ASN A 799 8.717 0.332 -2.907 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.134 -1.628 -1.895 1.00 0.78 N ATOM 0 H ASN A 799 5.322 -2.724 -3.510 1.00 0.25 H new ATOM 0 HA ASN A 799 6.083 -0.144 -2.894 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.311 -2.580 -3.285 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.899 -1.685 -4.672 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.827 -1.210 -1.274 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.926 -2.624 -1.830 1.00 0.78 H new ATOM 395 N SER A 800 5.639 -0.605 -6.105 1.00 0.22 N ATOM 396 CA SER A 800 5.546 0.081 -7.388 1.00 0.25 C ATOM 397 C SER A 800 4.473 1.166 -7.350 1.00 0.28 C ATOM 398 O SER A 800 4.577 2.178 -8.043 1.00 0.33 O ATOM 399 CB SER A 800 5.242 -0.917 -8.507 1.00 0.28 C ATOM 400 OG SER A 800 4.856 -0.252 -9.696 1.00 0.98 O ATOM 0 H SER A 800 5.314 -1.572 -6.118 1.00 0.22 H new ATOM 0 HA SER A 800 6.508 0.554 -7.587 1.00 0.25 H new ATOM 0 HB2 SER A 800 6.122 -1.530 -8.700 1.00 0.28 H new ATOM 0 HB3 SER A 800 4.447 -1.592 -8.190 1.00 0.28 H new ATOM 0 HG SER A 800 4.669 -0.913 -10.395 1.00 0.98 H new ATOM 406 N LYS A 801 3.440 0.945 -6.542 1.00 0.30 N ATOM 407 CA LYS A 801 2.345 1.904 -6.419 1.00 0.37 C ATOM 408 C LYS A 801 2.634 2.945 -5.340 1.00 0.40 C ATOM 409 O LYS A 801 2.011 4.008 -5.312 1.00 0.49 O ATOM 410 CB LYS A 801 1.038 1.175 -6.100 1.00 0.42 C ATOM 411 CG LYS A 801 0.171 0.919 -7.321 1.00 0.67 C ATOM 412 CD LYS A 801 0.613 -0.330 -8.064 1.00 1.05 C ATOM 413 CE LYS A 801 -0.522 -0.921 -8.886 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.042 -1.989 -9.806 1.00 2.25 N ATOM 0 H LYS A 801 3.338 0.112 -5.963 1.00 0.30 H new ATOM 0 HA LYS A 801 2.248 2.422 -7.373 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.270 0.223 -5.623 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.471 1.763 -5.379 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.869 0.812 -7.014 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.220 1.778 -7.990 1.00 0.67 H new ATOM 0 HD2 LYS A 801 1.450 -0.088 -8.719 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.971 -1.072 -7.350 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.279 -1.331 -8.218 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -1.001 -0.131 -9.465 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -0.845 -2.367 -10.349 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 0.662 -1.593 -10.461 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 0.392 -2.755 -9.252 1.00 2.25 H new ATOM 428 N ILE A 802 3.575 2.638 -4.451 1.00 0.39 N ATOM 429 CA ILE A 802 3.931 3.555 -3.373 1.00 0.45 C ATOM 430 C ILE A 802 5.127 4.423 -3.754 1.00 0.50 C ATOM 431 O ILE A 802 5.311 5.513 -3.212 1.00 0.60 O ATOM 432 CB ILE A 802 4.252 2.797 -2.069 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.568 2.031 -2.201 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.113 1.852 -1.711 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.601 2.427 -1.170 1.00 0.75 C ATOM 0 H ILE A 802 4.103 1.765 -4.456 1.00 0.39 H new ATOM 0 HA ILE A 802 3.064 4.194 -3.207 1.00 0.45 H new ATOM 0 HB ILE A 802 4.362 3.524 -1.265 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.368 0.963 -2.112 1.00 0.42 H new ATOM 0 HG13 ILE A 802 5.978 2.197 -3.197 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.354 1.324 -0.788 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.196 2.424 -1.572 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.972 1.130 -2.516 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.509 1.844 -1.323 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.829 3.488 -1.272 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.210 2.235 -0.171 1.00 0.75 H new ATOM 447 N SER A 803 5.936 3.935 -4.689 1.00 0.45 N ATOM 448 CA SER A 803 7.113 4.669 -5.139 1.00 0.53 C ATOM 449 C SER A 803 7.231 4.629 -6.661 1.00 0.61 C ATOM 450 O SER A 803 8.051 3.895 -7.212 1.00 1.19 O ATOM 451 CB SER A 803 8.377 4.095 -4.495 1.00 0.60 C ATOM 452 OG SER A 803 8.612 2.764 -4.925 1.00 1.53 O ATOM 0 H SER A 803 5.798 3.035 -5.149 1.00 0.45 H new ATOM 0 HA SER A 803 7.002 5.709 -4.832 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.234 4.719 -4.750 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.278 4.117 -3.410 1.00 0.60 H new ATOM 0 HG SER A 803 7.906 2.179 -4.579 1.00 1.53 H new ATOM 458 N ASN A 804 6.406 5.426 -7.333 1.00 0.84 N ATOM 459 CA ASN A 804 6.419 5.483 -8.790 1.00 0.93 C ATOM 460 C ASN A 804 7.736 6.062 -9.297 1.00 1.53 C ATOM 461 O ASN A 804 8.456 6.731 -8.557 1.00 2.42 O ATOM 462 CB ASN A 804 5.248 6.325 -9.304 1.00 1.40 C ATOM 463 CG ASN A 804 3.902 5.723 -8.950 1.00 2.04 C ATOM 464 OD1 ASN A 804 3.781 4.963 -7.989 1.00 2.43 O ATOM 465 ND2 ASN A 804 2.879 6.062 -9.728 1.00 2.83 N ATOM 0 H ASN A 804 5.721 6.040 -6.892 1.00 0.84 H new ATOM 0 HA ASN A 804 6.317 4.466 -9.168 1.00 0.93 H new ATOM 0 HB2 ASN A 804 5.315 7.329 -8.885 1.00 1.40 H new ATOM 0 HB3 ASN A 804 5.324 6.425 -10.387 1.00 1.40 H new ATOM 0 HD21 ASN A 804 1.949 5.689 -9.539 1.00 2.83 H new ATOM 0 HD22 ASN A 804 3.024 6.695 -10.514 1.00 2.83 H new ATOM 472 N THR A 805 8.045 5.800 -10.563 1.00 1.86 N ATOM 473 CA THR A 805 9.276 6.295 -11.167 1.00 2.72 C ATOM 474 C THR A 805 9.164 7.776 -11.513 1.00 3.19 C ATOM 475 O THR A 805 8.064 8.303 -11.682 1.00 3.83 O ATOM 476 CB THR A 805 9.634 5.506 -12.440 1.00 3.49 C ATOM 477 OG1 THR A 805 10.803 6.064 -13.052 1.00 3.73 O ATOM 478 CG2 THR A 805 8.480 5.523 -13.430 1.00 4.20 C ATOM 0 H THR A 805 7.460 5.248 -11.190 1.00 1.86 H new ATOM 0 HA THR A 805 10.067 6.157 -10.429 1.00 2.72 H new ATOM 0 HB THR A 805 9.833 4.473 -12.155 1.00 3.49 H new ATOM 0 HG1 THR A 805 11.024 5.555 -13.860 1.00 3.73 H new ATOM 0 HG21 THR A 805 8.757 4.959 -14.321 1.00 4.20 H new ATOM 0 HG22 THR A 805 7.601 5.069 -12.972 1.00 4.20 H new ATOM 0 HG23 THR A 805 8.254 6.553 -13.708 1.00 4.20 H new ATOM 486 N HIS A 806 10.313 8.440 -11.618 1.00 3.41 N ATOM 487 CA HIS A 806 10.356 9.861 -11.947 1.00 4.17 C ATOM 488 C HIS A 806 9.590 10.689 -10.917 1.00 4.02 C ATOM 489 O HIS A 806 9.234 10.191 -9.849 1.00 4.30 O ATOM 490 CB HIS A 806 9.786 10.101 -13.348 1.00 5.13 C ATOM 491 CG HIS A 806 10.681 10.919 -14.227 1.00 6.08 C ATOM 492 ND1 HIS A 806 11.166 10.468 -15.436 1.00 6.75 N ATOM 493 CD2 HIS A 806 11.178 12.169 -14.067 1.00 6.77 C ATOM 494 CE1 HIS A 806 11.924 11.403 -15.981 1.00 7.67 C ATOM 495 NE2 HIS A 806 11.945 12.446 -15.172 1.00 7.69 N ATOM 0 H HIS A 806 11.229 8.014 -11.479 1.00 3.41 H new ATOM 0 HA HIS A 806 11.399 10.178 -11.930 1.00 4.17 H new ATOM 0 HB2 HIS A 806 9.602 9.139 -13.826 1.00 5.13 H new ATOM 0 HB3 HIS A 806 8.822 10.602 -13.258 1.00 5.13 H new ATOM 0 HD2 HIS A 806 11.004 12.825 -13.227 1.00 6.77 H new ATOM 0 HE1 HIS A 806 12.439 11.327 -16.927 1.00 7.67 H new ATOM 0 HE2 HIS A 806 12.449 13.317 -15.340 1.00 7.69 H new ATOM 504 N ASN A 807 9.346 11.955 -11.249 1.00 4.10 N ATOM 505 CA ASN A 807 8.627 12.863 -10.360 1.00 4.41 C ATOM 506 C ASN A 807 9.348 13.005 -9.020 1.00 4.33 C ATOM 507 O ASN A 807 10.263 13.815 -8.884 1.00 4.37 O ATOM 508 CB ASN A 807 7.191 12.378 -10.141 1.00 4.84 C ATOM 509 CG ASN A 807 6.276 13.485 -9.655 1.00 5.63 C ATOM 510 OD1 ASN A 807 6.481 14.658 -9.967 1.00 6.02 O ATOM 511 ND2 ASN A 807 5.257 13.116 -8.888 1.00 6.22 N ATOM 0 H ASN A 807 9.637 12.376 -12.131 1.00 4.10 H new ATOM 0 HA ASN A 807 8.596 13.843 -10.836 1.00 4.41 H new ATOM 0 HB2 ASN A 807 6.801 11.971 -11.074 1.00 4.84 H new ATOM 0 HB3 ASN A 807 7.191 11.565 -9.415 1.00 4.84 H new ATOM 0 HD21 ASN A 807 4.606 13.817 -8.533 1.00 6.22 H new ATOM 0 HD22 ASN A 807 5.125 12.132 -8.654 1.00 6.22 H new ATOM 518 N ASN A 808 8.933 12.213 -8.035 1.00 4.61 N ATOM 519 CA ASN A 808 9.545 12.255 -6.712 1.00 4.89 C ATOM 520 C ASN A 808 9.914 10.853 -6.236 1.00 4.54 C ATOM 521 O ASN A 808 9.084 10.141 -5.669 1.00 4.85 O ATOM 522 CB ASN A 808 8.597 12.916 -5.710 1.00 5.45 C ATOM 523 CG ASN A 808 9.100 14.265 -5.237 1.00 6.15 C ATOM 524 OD1 ASN A 808 9.841 14.358 -4.258 1.00 6.37 O ATOM 525 ND2 ASN A 808 8.699 15.323 -5.935 1.00 6.83 N ATOM 0 H ASN A 808 8.176 11.535 -8.129 1.00 4.61 H new ATOM 0 HA ASN A 808 10.459 12.845 -6.781 1.00 4.89 H new ATOM 0 HB2 ASN A 808 7.616 13.038 -6.169 1.00 5.45 H new ATOM 0 HB3 ASN A 808 8.467 12.259 -4.850 1.00 5.45 H new ATOM 0 HD21 ASN A 808 9.006 16.258 -5.666 1.00 6.83 H new ATOM 0 HD22 ASN A 808 8.085 15.200 -6.740 1.00 6.83 H new ATOM 532 N ASN A 809 11.162 10.463 -6.470 1.00 4.24 N ATOM 533 CA ASN A 809 11.640 9.146 -6.064 1.00 4.01 C ATOM 534 C ASN A 809 11.848 9.083 -4.554 1.00 3.02 C ATOM 535 O ASN A 809 12.934 9.375 -4.052 1.00 3.13 O ATOM 536 CB ASN A 809 12.947 8.808 -6.786 1.00 4.74 C ATOM 537 CG ASN A 809 12.861 7.507 -7.559 1.00 5.63 C ATOM 538 OD1 ASN A 809 11.907 7.275 -8.302 1.00 5.91 O ATOM 539 ND2 ASN A 809 13.860 6.650 -7.388 1.00 6.41 N ATOM 0 H ASN A 809 11.861 11.040 -6.938 1.00 4.24 H new ATOM 0 HA ASN A 809 10.882 8.413 -6.339 1.00 4.01 H new ATOM 0 HB2 ASN A 809 13.201 9.618 -7.470 1.00 4.74 H new ATOM 0 HB3 ASN A 809 13.755 8.742 -6.057 1.00 4.74 H new ATOM 0 HD21 ASN A 809 13.857 5.758 -7.882 1.00 6.41 H new ATOM 0 HD22 ASN A 809 14.631 6.884 -6.762 1.00 6.41 H new ATOM 546 N ILE A 810 10.797 8.701 -3.833 1.00 2.60 N ATOM 547 CA ILE A 810 10.860 8.600 -2.380 1.00 2.14 C ATOM 548 C ILE A 810 11.425 7.252 -1.943 1.00 1.67 C ATOM 549 O ILE A 810 11.524 6.321 -2.742 1.00 2.29 O ATOM 550 CB ILE A 810 9.471 8.793 -1.742 1.00 3.00 C ATOM 551 CG1 ILE A 810 8.433 7.916 -2.445 1.00 3.79 C ATOM 552 CG2 ILE A 810 9.061 10.257 -1.799 1.00 3.71 C ATOM 553 CD1 ILE A 810 7.268 7.529 -1.560 1.00 4.78 C ATOM 0 H ILE A 810 9.891 8.456 -4.233 1.00 2.60 H new ATOM 0 HA ILE A 810 11.523 9.395 -2.038 1.00 2.14 H new ATOM 0 HB ILE A 810 9.524 8.490 -0.696 1.00 3.00 H new ATOM 0 HG12 ILE A 810 8.054 8.446 -3.319 1.00 3.79 H new ATOM 0 HG13 ILE A 810 8.920 7.011 -2.807 1.00 3.79 H new ATOM 0 HG21 ILE A 810 8.078 10.377 -1.345 1.00 3.71 H new ATOM 0 HG22 ILE A 810 9.788 10.860 -1.255 1.00 3.71 H new ATOM 0 HG23 ILE A 810 9.023 10.584 -2.838 1.00 3.71 H new ATOM 0 HD11 ILE A 810 6.573 6.908 -2.125 1.00 4.78 H new ATOM 0 HD12 ILE A 810 7.635 6.971 -0.698 1.00 4.78 H new ATOM 0 HD13 ILE A 810 6.756 8.429 -1.218 1.00 4.78 H new ATOM 565 N SER A 811 11.796 7.158 -0.669 1.00 1.31 N ATOM 566 CA SER A 811 12.352 5.924 -0.123 1.00 0.97 C ATOM 567 C SER A 811 11.293 4.823 -0.066 1.00 0.83 C ATOM 568 O SER A 811 10.260 4.981 0.585 1.00 0.94 O ATOM 569 CB SER A 811 12.924 6.172 1.273 1.00 1.31 C ATOM 570 OG SER A 811 13.095 4.955 1.979 1.00 1.80 O ATOM 0 H SER A 811 11.722 7.921 0.004 1.00 1.31 H new ATOM 0 HA SER A 811 13.154 5.594 -0.784 1.00 0.97 H new ATOM 0 HB2 SER A 811 13.882 6.686 1.191 1.00 1.31 H new ATOM 0 HB3 SER A 811 12.257 6.829 1.831 1.00 1.31 H new ATOM 0 HG SER A 811 13.463 5.141 2.868 1.00 1.80 H new ATOM 576 N PRO A 812 11.534 3.689 -0.751 1.00 0.70 N ATOM 577 CA PRO A 812 10.590 2.563 -0.773 1.00 0.66 C ATOM 578 C PRO A 812 10.317 2.003 0.622 1.00 0.62 C ATOM 579 O PRO A 812 11.076 2.249 1.559 1.00 0.73 O ATOM 580 CB PRO A 812 11.300 1.511 -1.637 1.00 0.70 C ATOM 581 CG PRO A 812 12.303 2.275 -2.431 1.00 0.95 C ATOM 582 CD PRO A 812 12.737 3.413 -1.557 1.00 0.77 C ATOM 0 HA PRO A 812 9.615 2.863 -1.157 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.781 0.753 -1.019 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.595 0.993 -2.287 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.150 1.644 -2.701 1.00 0.95 H new ATOM 0 HG3 PRO A 812 11.869 2.641 -3.361 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.588 3.141 -0.932 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.038 4.281 -2.144 1.00 0.77 H new ATOM 590 N ILE A 813 9.227 1.249 0.748 1.00 0.62 N ATOM 591 CA ILE A 813 8.850 0.650 2.026 1.00 0.61 C ATOM 592 C ILE A 813 8.903 -0.875 1.950 1.00 0.59 C ATOM 593 O ILE A 813 8.759 -1.455 0.872 1.00 0.75 O ATOM 594 CB ILE A 813 7.436 1.088 2.456 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.249 2.593 2.231 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.182 0.726 3.914 1.00 1.05 C ATOM 597 CD1 ILE A 813 8.151 3.461 3.086 1.00 1.94 C ATOM 0 H ILE A 813 8.589 1.038 -0.020 1.00 0.62 H new ATOM 0 HA ILE A 813 9.568 0.999 2.768 1.00 0.61 H new ATOM 0 HB ILE A 813 6.709 0.556 1.842 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.434 2.819 1.181 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.211 2.854 2.435 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.179 1.043 4.198 1.00 1.05 H new ATOM 0 HG22 ILE A 813 7.271 -0.353 4.042 1.00 1.05 H new ATOM 0 HG23 ILE A 813 7.914 1.228 4.546 1.00 1.05 H new ATOM 0 HD11 ILE A 813 7.958 4.511 2.868 1.00 1.94 H new ATOM 0 HD12 ILE A 813 7.951 3.266 4.140 1.00 1.94 H new ATOM 0 HD13 ILE A 813 9.193 3.230 2.866 1.00 1.94 H new ATOM 609 N THR A 814 9.115 -1.518 3.095 1.00 0.49 N ATOM 610 CA THR A 814 9.190 -2.974 3.149 1.00 0.49 C ATOM 611 C THR A 814 8.183 -3.548 4.139 1.00 0.47 C ATOM 612 O THR A 814 7.218 -4.204 3.747 1.00 0.54 O ATOM 613 CB THR A 814 10.602 -3.448 3.540 1.00 0.53 C ATOM 614 OG1 THR A 814 11.287 -2.412 4.254 1.00 1.16 O ATOM 615 CG2 THR A 814 11.403 -3.835 2.306 1.00 1.07 C ATOM 0 H THR A 814 9.238 -1.055 3.995 1.00 0.49 H new ATOM 0 HA THR A 814 8.953 -3.336 2.149 1.00 0.49 H new ATOM 0 HB THR A 814 10.503 -4.325 4.180 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.183 -2.722 4.500 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.397 -4.167 2.607 1.00 1.07 H new ATOM 0 HG22 THR A 814 10.894 -4.643 1.781 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.493 -2.973 1.645 1.00 1.07 H new ATOM 623 N LYS A 815 8.414 -3.300 5.426 1.00 0.42 N ATOM 624 CA LYS A 815 7.527 -3.796 6.471 1.00 0.42 C ATOM 625 C LYS A 815 6.289 -2.914 6.594 1.00 0.40 C ATOM 626 O LYS A 815 6.394 -1.690 6.687 1.00 0.48 O ATOM 627 CB LYS A 815 8.263 -3.858 7.810 1.00 0.49 C ATOM 628 CG LYS A 815 7.525 -4.654 8.876 1.00 0.89 C ATOM 629 CD LYS A 815 8.459 -5.600 9.612 1.00 1.30 C ATOM 630 CE LYS A 815 8.418 -7.000 9.018 1.00 1.97 C ATOM 631 NZ LYS A 815 7.553 -7.915 9.812 1.00 2.69 N ATOM 0 H LYS A 815 9.208 -2.759 5.768 1.00 0.42 H new ATOM 0 HA LYS A 815 7.209 -4.802 6.197 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.247 -4.301 7.654 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.424 -2.843 8.173 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.064 -3.970 9.588 1.00 0.89 H new ATOM 0 HG3 LYS A 815 6.719 -5.224 8.413 1.00 0.89 H new ATOM 0 HD2 LYS A 815 9.478 -5.215 9.567 1.00 1.30 H new ATOM 0 HD3 LYS A 815 8.180 -5.642 10.665 1.00 1.30 H new ATOM 0 HE2 LYS A 815 8.049 -6.949 7.994 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.429 -7.405 8.972 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 8.072 -8.793 10.016 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 7.288 -7.454 10.706 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 6.694 -8.139 9.270 1.00 2.69 H new ATOM 645 N ILE A 816 5.116 -3.543 6.587 1.00 0.36 N ATOM 646 CA ILE A 816 3.859 -2.814 6.691 1.00 0.38 C ATOM 647 C ILE A 816 2.824 -3.600 7.489 1.00 0.33 C ATOM 648 O ILE A 816 3.102 -4.694 7.981 1.00 0.37 O ATOM 649 CB ILE A 816 3.277 -2.500 5.297 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.576 -3.641 4.320 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.838 -1.185 4.775 1.00 0.84 C ATOM 652 CD1 ILE A 816 2.575 -4.776 4.388 1.00 0.53 C ATOM 0 H ILE A 816 5.012 -4.555 6.510 1.00 0.36 H new ATOM 0 HA ILE A 816 4.081 -1.881 7.210 1.00 0.38 H new ATOM 0 HB ILE A 816 2.195 -2.403 5.386 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.594 -3.244 3.305 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.572 -4.033 4.526 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.419 -0.976 3.791 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.574 -0.379 5.460 1.00 0.84 H new ATOM 0 HG23 ILE A 816 4.923 -1.257 4.700 1.00 0.84 H new ATOM 0 HD11 ILE A 816 2.850 -5.547 3.669 1.00 0.53 H new ATOM 0 HD12 ILE A 816 2.573 -5.200 5.392 1.00 0.53 H new ATOM 0 HD13 ILE A 816 1.580 -4.398 4.152 1.00 0.53 H new ATOM 664 N LYS A 817 1.628 -3.033 7.609 1.00 0.32 N ATOM 665 CA LYS A 817 0.543 -3.673 8.341 1.00 0.31 C ATOM 666 C LYS A 817 -0.666 -3.874 7.435 1.00 0.32 C ATOM 667 O LYS A 817 -0.889 -3.095 6.509 1.00 0.59 O ATOM 668 CB LYS A 817 0.151 -2.824 9.553 1.00 0.37 C ATOM 669 CG LYS A 817 1.278 -2.642 10.555 1.00 0.39 C ATOM 670 CD LYS A 817 0.960 -3.317 11.879 1.00 0.38 C ATOM 671 CE LYS A 817 1.859 -2.807 12.994 1.00 0.50 C ATOM 672 NZ LYS A 817 1.681 -3.584 14.251 1.00 0.85 N ATOM 0 H LYS A 817 1.386 -2.128 7.206 1.00 0.32 H new ATOM 0 HA LYS A 817 0.887 -4.648 8.686 1.00 0.31 H new ATOM 0 HB2 LYS A 817 -0.180 -1.844 9.209 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.698 -3.290 10.054 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.200 -3.056 10.146 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.452 -1.579 10.720 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.083 -3.136 12.140 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.081 -4.395 11.777 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.900 -2.865 12.676 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.642 -1.756 13.183 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.238 -2.980 14.973 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 1.072 -4.407 14.067 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 2.608 -3.909 14.593 1.00 0.85 H new ATOM 686 N TYR A 818 -1.444 -4.919 7.701 1.00 0.23 N ATOM 687 CA TYR A 818 -2.626 -5.200 6.896 1.00 0.22 C ATOM 688 C TYR A 818 -3.850 -5.446 7.775 1.00 0.23 C ATOM 689 O TYR A 818 -3.729 -5.654 8.982 1.00 0.31 O ATOM 690 CB TYR A 818 -2.366 -6.389 5.960 1.00 0.26 C ATOM 691 CG TYR A 818 -2.881 -7.723 6.458 1.00 0.30 C ATOM 692 CD1 TYR A 818 -2.143 -8.481 7.357 1.00 0.46 C ATOM 693 CD2 TYR A 818 -4.097 -8.229 6.015 1.00 0.41 C ATOM 694 CE1 TYR A 818 -2.603 -9.705 7.803 1.00 0.58 C ATOM 695 CE2 TYR A 818 -4.564 -9.452 6.457 1.00 0.51 C ATOM 696 CZ TYR A 818 -3.813 -10.187 7.349 1.00 0.56 C ATOM 697 OH TYR A 818 -4.272 -11.406 7.793 1.00 0.71 O ATOM 0 H TYR A 818 -1.279 -5.579 8.461 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.837 -4.323 6.284 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.824 -6.178 4.994 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.292 -6.471 5.792 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -1.194 -8.108 7.713 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.687 -7.657 5.314 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -2.018 -10.282 8.504 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -5.513 -9.830 6.105 1.00 0.51 H new ATOM 0 HH TYR A 818 -5.195 -11.313 8.108 1.00 0.71 H new ATOM 707 N GLN A 819 -5.027 -5.405 7.158 1.00 0.27 N ATOM 708 CA GLN A 819 -6.278 -5.605 7.872 1.00 0.34 C ATOM 709 C GLN A 819 -6.731 -7.055 7.787 1.00 0.40 C ATOM 710 O GLN A 819 -7.150 -7.530 6.731 1.00 0.45 O ATOM 711 CB GLN A 819 -7.364 -4.687 7.310 1.00 0.44 C ATOM 712 CG GLN A 819 -8.299 -4.133 8.372 1.00 0.56 C ATOM 713 CD GLN A 819 -9.758 -4.219 7.966 1.00 1.14 C ATOM 714 OE1 GLN A 819 -10.267 -3.353 7.254 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.438 -5.265 8.420 1.00 1.44 N ATOM 0 H GLN A 819 -5.138 -5.234 6.159 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.109 -5.358 8.920 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.891 -3.857 6.785 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.949 -5.238 6.574 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.152 -4.681 9.303 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.042 -3.093 8.571 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.975 -5.958 9.007 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.424 -5.375 8.181 1.00 1.44 H new ATOM 724 N ASP A 820 -6.642 -7.748 8.911 1.00 0.43 N ATOM 725 CA ASP A 820 -7.041 -9.148 8.986 1.00 0.53 C ATOM 726 C ASP A 820 -8.560 -9.267 9.096 1.00 0.62 C ATOM 727 O ASP A 820 -9.251 -8.278 9.337 1.00 0.65 O ATOM 728 CB ASP A 820 -6.370 -9.826 10.184 1.00 0.58 C ATOM 729 CG ASP A 820 -6.580 -11.327 10.193 1.00 1.13 C ATOM 730 OD1 ASP A 820 -6.556 -11.939 9.104 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.768 -11.895 11.291 1.00 1.34 O ATOM 0 H ASP A 820 -6.295 -7.363 9.790 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.720 -9.648 8.073 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.301 -9.612 10.167 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.766 -9.401 11.107 1.00 0.58 H new ATOM 736 N GLU A 821 -9.072 -10.480 8.910 1.00 0.71 N ATOM 737 CA GLU A 821 -10.510 -10.725 8.981 1.00 0.82 C ATOM 738 C GLU A 821 -11.028 -10.595 10.410 1.00 0.83 C ATOM 739 O GLU A 821 -12.220 -10.768 10.663 1.00 0.97 O ATOM 740 CB GLU A 821 -10.836 -12.117 8.433 1.00 0.96 C ATOM 741 CG GLU A 821 -10.090 -13.237 9.136 1.00 1.10 C ATOM 742 CD GLU A 821 -10.803 -14.571 9.028 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.238 -14.924 7.911 1.00 1.62 O ATOM 744 OE2 GLU A 821 -10.927 -15.262 10.060 1.00 1.53 O ATOM 0 H GLU A 821 -8.513 -11.309 8.709 1.00 0.71 H new ATOM 0 HA GLU A 821 -11.007 -9.970 8.371 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.908 -12.292 8.524 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.598 -12.145 7.370 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -9.091 -13.327 8.709 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.964 -12.981 10.188 1.00 1.10 H new ATOM 751 N ASP A 822 -10.128 -10.290 11.341 1.00 0.79 N ATOM 752 CA ASP A 822 -10.503 -10.138 12.742 1.00 0.81 C ATOM 753 C ASP A 822 -10.658 -8.666 13.108 1.00 0.73 C ATOM 754 O ASP A 822 -10.724 -8.317 14.288 1.00 0.78 O ATOM 755 CB ASP A 822 -9.455 -10.791 13.645 1.00 0.86 C ATOM 756 CG ASP A 822 -9.548 -12.304 13.638 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.374 -12.852 14.396 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.792 -12.941 12.874 1.00 1.56 O ATOM 0 H ASP A 822 -9.137 -10.144 11.150 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.462 -10.634 12.891 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.460 -10.489 13.319 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.580 -10.427 14.665 1.00 0.86 H new ATOM 763 N GLY A 823 -10.715 -7.809 12.094 1.00 0.68 N ATOM 764 CA GLY A 823 -10.859 -6.386 12.333 1.00 0.70 C ATOM 765 C GLY A 823 -9.744 -5.836 13.200 1.00 0.67 C ATOM 766 O GLY A 823 -9.997 -5.269 14.263 1.00 0.88 O ATOM 0 H GLY A 823 -10.664 -8.075 11.111 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -10.870 -5.858 11.379 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.819 -6.195 12.814 1.00 0.70 H new ATOM 770 N ASP A 824 -8.507 -6.008 12.744 1.00 0.54 N ATOM 771 CA ASP A 824 -7.344 -5.533 13.480 1.00 0.57 C ATOM 772 C ASP A 824 -6.090 -5.620 12.620 1.00 0.55 C ATOM 773 O ASP A 824 -5.816 -6.650 12.000 1.00 0.93 O ATOM 774 CB ASP A 824 -7.156 -6.347 14.762 1.00 0.65 C ATOM 775 CG ASP A 824 -6.362 -5.598 15.814 1.00 1.15 C ATOM 776 OD1 ASP A 824 -5.327 -4.996 15.459 1.00 1.86 O ATOM 777 OD2 ASP A 824 -6.774 -5.614 16.992 1.00 1.48 O ATOM 0 H ASP A 824 -8.286 -6.475 11.865 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.512 -4.489 13.745 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.133 -6.610 15.168 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.647 -7.281 14.524 1.00 0.65 H new ATOM 782 N PHE A 825 -5.334 -4.530 12.585 1.00 0.42 N ATOM 783 CA PHE A 825 -4.104 -4.474 11.802 1.00 0.37 C ATOM 784 C PHE A 825 -2.986 -5.255 12.485 1.00 0.38 C ATOM 785 O PHE A 825 -2.777 -5.130 13.691 1.00 0.44 O ATOM 786 CB PHE A 825 -3.666 -3.021 11.598 1.00 0.39 C ATOM 787 CG PHE A 825 -4.553 -2.246 10.664 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.630 -2.581 9.320 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.308 -1.182 11.129 1.00 0.59 C ATOM 790 CE1 PHE A 825 -5.443 -1.870 8.460 1.00 0.43 C ATOM 791 CE2 PHE A 825 -6.123 -0.466 10.273 1.00 0.64 C ATOM 792 CZ PHE A 825 -6.190 -0.809 8.937 1.00 0.52 C ATOM 0 H PHE A 825 -5.551 -3.671 13.090 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.305 -4.928 10.832 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.645 -2.518 12.565 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.647 -3.009 11.210 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -4.047 -3.408 8.942 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.259 -0.909 12.173 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -5.495 -2.142 7.416 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.707 0.361 10.649 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.825 -0.249 8.266 1.00 0.52 H new ATOM 802 N VAL A 826 -2.265 -6.053 11.703 1.00 0.38 N ATOM 803 CA VAL A 826 -1.162 -6.844 12.231 1.00 0.45 C ATOM 804 C VAL A 826 0.104 -6.620 11.409 1.00 0.36 C ATOM 805 O VAL A 826 0.108 -5.822 10.474 1.00 0.31 O ATOM 806 CB VAL A 826 -1.498 -8.349 12.256 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.816 -8.590 12.976 1.00 0.97 C ATOM 808 CG2 VAL A 826 -1.545 -8.913 10.844 1.00 0.79 C ATOM 0 H VAL A 826 -2.426 -6.168 10.702 1.00 0.38 H new ATOM 0 HA VAL A 826 -0.993 -6.513 13.256 1.00 0.45 H new ATOM 0 HB VAL A 826 -0.710 -8.867 12.802 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.037 -9.657 12.984 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.742 -8.227 14.001 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.615 -8.058 12.460 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -1.784 -9.976 10.884 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -2.310 -8.391 10.269 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -0.575 -8.777 10.365 1.00 0.79 H new ATOM 818 N VAL A 827 1.173 -7.323 11.768 1.00 0.37 N ATOM 819 CA VAL A 827 2.444 -7.184 11.064 1.00 0.33 C ATOM 820 C VAL A 827 2.652 -8.301 10.049 1.00 0.30 C ATOM 821 O VAL A 827 2.994 -9.428 10.407 1.00 0.35 O ATOM 822 CB VAL A 827 3.631 -7.177 12.044 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.824 -6.462 11.431 1.00 0.52 C ATOM 824 CG2 VAL A 827 3.235 -6.533 13.365 1.00 0.56 C ATOM 0 H VAL A 827 1.186 -7.992 12.538 1.00 0.37 H new ATOM 0 HA VAL A 827 2.401 -6.229 10.539 1.00 0.33 H new ATOM 0 HB VAL A 827 3.917 -8.210 12.244 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.654 -6.467 12.138 1.00 0.52 H new ATOM 0 HG12 VAL A 827 5.124 -6.973 10.516 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.551 -5.433 11.199 1.00 0.52 H new ATOM 0 HG21 VAL A 827 4.089 -6.539 14.043 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.919 -5.505 13.188 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.414 -7.094 13.811 1.00 0.56 H new ATOM 834 N LEU A 828 2.453 -7.970 8.776 1.00 0.26 N ATOM 835 CA LEU A 828 2.627 -8.933 7.693 1.00 0.28 C ATOM 836 C LEU A 828 3.893 -8.619 6.901 1.00 0.46 C ATOM 837 O LEU A 828 4.178 -7.457 6.612 1.00 0.60 O ATOM 838 CB LEU A 828 1.412 -8.911 6.760 1.00 0.31 C ATOM 839 CG LEU A 828 1.383 -10.016 5.701 1.00 0.45 C ATOM 840 CD1 LEU A 828 -0.045 -10.458 5.433 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.043 -9.542 4.414 1.00 0.81 C ATOM 0 H LEU A 828 2.170 -7.039 8.469 1.00 0.26 H new ATOM 0 HA LEU A 828 2.720 -9.927 8.129 1.00 0.28 H new ATOM 0 HB2 LEU A 828 0.508 -8.986 7.365 1.00 0.31 H new ATOM 0 HB3 LEU A 828 1.379 -7.945 6.255 1.00 0.31 H new ATOM 0 HG LEU A 828 1.944 -10.870 6.081 1.00 0.45 H new ATOM 0 HD11 LEU A 828 -0.047 -11.244 4.678 1.00 0.66 H new ATOM 0 HD12 LEU A 828 -0.487 -10.839 6.354 1.00 0.66 H new ATOM 0 HD13 LEU A 828 -0.627 -9.609 5.075 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.012 -10.341 3.674 1.00 0.81 H new ATOM 0 HD22 LEU A 828 1.510 -8.672 4.031 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.080 -9.273 4.615 1.00 0.81 H new ATOM 853 N GLY A 829 4.649 -9.656 6.556 1.00 0.58 N ATOM 854 CA GLY A 829 5.872 -9.451 5.802 1.00 0.81 C ATOM 855 C GLY A 829 6.604 -10.742 5.491 1.00 0.49 C ATOM 856 O GLY A 829 7.834 -10.760 5.426 1.00 0.45 O ATOM 0 H GLY A 829 4.439 -10.628 6.783 1.00 0.58 H new ATOM 0 HA2 GLY A 829 5.635 -8.941 4.868 1.00 0.81 H new ATOM 0 HA3 GLY A 829 6.533 -8.793 6.366 1.00 0.81 H new ATOM 860 N SER A 830 5.856 -11.825 5.292 1.00 0.35 N ATOM 861 CA SER A 830 6.459 -13.111 4.982 1.00 0.23 C ATOM 862 C SER A 830 5.511 -13.957 4.148 1.00 0.19 C ATOM 863 O SER A 830 4.291 -13.827 4.263 1.00 0.20 O ATOM 864 CB SER A 830 6.828 -13.849 6.271 1.00 0.45 C ATOM 865 OG SER A 830 8.102 -14.461 6.162 1.00 1.31 O ATOM 0 H SER A 830 4.837 -11.834 5.340 1.00 0.35 H new ATOM 0 HA SER A 830 7.367 -12.935 4.405 1.00 0.23 H new ATOM 0 HB2 SER A 830 6.827 -13.150 7.107 1.00 0.45 H new ATOM 0 HB3 SER A 830 6.075 -14.606 6.488 1.00 0.45 H new ATOM 0 HG SER A 830 8.315 -14.924 6.999 1.00 1.31 H new ATOM 871 N ASP A 831 6.072 -14.826 3.313 1.00 0.18 N ATOM 872 CA ASP A 831 5.265 -15.697 2.467 1.00 0.18 C ATOM 873 C ASP A 831 4.227 -16.434 3.302 1.00 0.17 C ATOM 874 O ASP A 831 3.207 -16.888 2.788 1.00 0.22 O ATOM 875 CB ASP A 831 6.153 -16.701 1.729 1.00 0.23 C ATOM 876 CG ASP A 831 7.391 -16.056 1.139 1.00 1.33 C ATOM 877 OD1 ASP A 831 8.357 -15.825 1.896 1.00 1.77 O ATOM 878 OD2 ASP A 831 7.394 -15.782 -0.080 1.00 2.20 O ATOM 0 H ASP A 831 7.079 -14.945 3.204 1.00 0.18 H new ATOM 0 HA ASP A 831 4.750 -15.079 1.731 1.00 0.18 H new ATOM 0 HB2 ASP A 831 6.452 -17.492 2.417 1.00 0.23 H new ATOM 0 HB3 ASP A 831 5.578 -17.173 0.932 1.00 0.23 H new ATOM 883 N GLU A 832 4.495 -16.541 4.601 1.00 0.18 N ATOM 884 CA GLU A 832 3.585 -17.217 5.516 1.00 0.21 C ATOM 885 C GLU A 832 2.328 -16.389 5.745 1.00 0.19 C ATOM 886 O GLU A 832 1.225 -16.825 5.418 1.00 0.19 O ATOM 887 CB GLU A 832 4.279 -17.497 6.850 1.00 0.26 C ATOM 888 CG GLU A 832 3.564 -18.531 7.703 1.00 0.92 C ATOM 889 CD GLU A 832 4.398 -18.990 8.885 1.00 1.41 C ATOM 890 OE1 GLU A 832 4.454 -18.255 9.892 1.00 1.63 O ATOM 891 OE2 GLU A 832 4.997 -20.083 8.799 1.00 2.21 O ATOM 0 H GLU A 832 5.336 -16.168 5.042 1.00 0.18 H new ATOM 0 HA GLU A 832 3.295 -18.165 5.063 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.296 -17.839 6.656 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.357 -16.566 7.412 1.00 0.26 H new ATOM 0 HG2 GLU A 832 2.626 -18.111 8.066 1.00 0.92 H new ATOM 0 HG3 GLU A 832 3.310 -19.393 7.086 1.00 0.92 H new ATOM 898 N ASP A 833 2.496 -15.193 6.299 1.00 0.19 N ATOM 899 CA ASP A 833 1.363 -14.314 6.557 1.00 0.19 C ATOM 900 C ASP A 833 0.699 -13.919 5.250 1.00 0.18 C ATOM 901 O ASP A 833 -0.448 -13.475 5.235 1.00 0.18 O ATOM 902 CB ASP A 833 1.814 -13.070 7.323 1.00 0.22 C ATOM 903 CG ASP A 833 1.775 -13.270 8.825 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.574 -14.083 9.338 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.945 -12.615 9.491 1.00 0.73 O ATOM 0 H ASP A 833 3.401 -14.812 6.576 1.00 0.19 H new ATOM 0 HA ASP A 833 0.638 -14.851 7.169 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.828 -12.808 7.020 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.174 -12.229 7.054 1.00 0.22 H new ATOM 910 N TRP A 834 1.421 -14.095 4.151 1.00 0.17 N ATOM 911 CA TRP A 834 0.888 -13.765 2.838 1.00 0.17 C ATOM 912 C TRP A 834 0.022 -14.904 2.314 1.00 0.17 C ATOM 913 O TRP A 834 -1.053 -14.674 1.763 1.00 0.19 O ATOM 914 CB TRP A 834 2.018 -13.453 1.857 1.00 0.19 C ATOM 915 CG TRP A 834 1.552 -12.870 0.551 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.116 -13.071 -0.675 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.436 -11.990 0.335 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.431 -12.371 -1.637 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.391 -11.705 -1.045 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.531 -11.417 1.170 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.577 -10.875 -1.604 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.491 -10.595 0.614 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.510 -10.331 -0.761 1.00 0.26 C ATOM 0 H TRP A 834 2.372 -14.463 4.143 1.00 0.17 H new ATOM 0 HA TRP A 834 0.267 -12.874 2.934 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.711 -12.756 2.327 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.574 -14.369 1.656 1.00 0.19 H new ATOM 0 HD1 TRP A 834 2.979 -13.693 -0.862 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.659 -12.350 -2.631 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.526 -11.615 2.232 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.592 -10.667 -2.664 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.240 -10.148 1.251 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.276 -9.685 -1.165 1.00 0.26 H new ATOM 934 N ASN A 835 0.489 -16.134 2.507 1.00 0.18 N ATOM 935 CA ASN A 835 -0.256 -17.309 2.067 1.00 0.20 C ATOM 936 C ASN A 835 -1.487 -17.507 2.939 1.00 0.20 C ATOM 937 O ASN A 835 -2.517 -18.004 2.482 1.00 0.23 O ATOM 938 CB ASN A 835 0.629 -18.555 2.121 1.00 0.23 C ATOM 939 CG ASN A 835 1.385 -18.785 0.828 1.00 1.38 C ATOM 940 OD1 ASN A 835 0.787 -19.005 -0.225 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.709 -18.733 0.904 1.00 1.98 N ATOM 0 H ASN A 835 1.377 -16.343 2.964 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.573 -17.151 1.036 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.340 -18.457 2.941 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.011 -19.427 2.337 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.274 -18.878 0.067 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.162 -18.548 1.799 1.00 1.98 H new ATOM 948 N VAL A 836 -1.375 -17.101 4.201 1.00 0.20 N ATOM 949 CA VAL A 836 -2.479 -17.215 5.143 1.00 0.22 C ATOM 950 C VAL A 836 -3.516 -16.139 4.862 1.00 0.22 C ATOM 951 O VAL A 836 -4.697 -16.436 4.674 1.00 0.27 O ATOM 952 CB VAL A 836 -1.997 -17.094 6.604 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.176 -17.143 7.565 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.993 -18.192 6.927 1.00 0.62 C ATOM 0 H VAL A 836 -0.528 -16.690 4.593 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.923 -18.202 5.012 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.502 -16.130 6.723 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.814 -17.056 8.590 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.856 -16.319 7.349 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.704 -18.089 7.446 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.664 -18.091 7.961 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.462 -19.166 6.789 1.00 0.62 H new ATOM 0 HG23 VAL A 836 -0.133 -18.106 6.263 1.00 0.62 H new ATOM 964 N ALA A 837 -3.064 -14.888 4.821 1.00 0.20 N ATOM 965 CA ALA A 837 -3.959 -13.770 4.542 1.00 0.20 C ATOM 966 C ALA A 837 -4.649 -13.962 3.198 1.00 0.20 C ATOM 967 O ALA A 837 -5.747 -13.450 2.974 1.00 0.21 O ATOM 968 CB ALA A 837 -3.197 -12.454 4.563 1.00 0.22 C ATOM 0 H ALA A 837 -2.091 -14.625 4.976 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.720 -13.739 5.322 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.883 -11.633 4.353 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.748 -12.309 5.546 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.413 -12.475 3.806 1.00 0.22 H new ATOM 974 N LYS A 838 -4.001 -14.709 2.306 1.00 0.21 N ATOM 975 CA LYS A 838 -4.557 -14.977 0.984 1.00 0.24 C ATOM 976 C LYS A 838 -5.722 -15.953 1.088 1.00 0.24 C ATOM 977 O LYS A 838 -6.758 -15.772 0.449 1.00 0.26 O ATOM 978 CB LYS A 838 -3.483 -15.541 0.052 1.00 0.28 C ATOM 979 CG LYS A 838 -2.788 -14.480 -0.790 1.00 0.38 C ATOM 980 CD LYS A 838 -1.803 -15.098 -1.771 1.00 0.49 C ATOM 981 CE LYS A 838 -0.614 -15.719 -1.054 1.00 0.68 C ATOM 982 NZ LYS A 838 0.319 -16.390 -2.000 1.00 0.85 N ATOM 0 H LYS A 838 -3.091 -15.138 2.476 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.920 -14.037 0.568 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.737 -16.067 0.648 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.939 -16.277 -0.610 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.534 -13.903 -1.337 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.263 -13.783 -0.137 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.309 -15.859 -2.365 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.452 -14.334 -2.465 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.078 -14.946 -0.504 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.970 -16.443 -0.321 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.060 -16.886 -1.464 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.207 -17.075 -2.579 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.757 -15.678 -2.619 1.00 0.85 H new ATOM 996 N GLU A 839 -5.546 -16.985 1.910 1.00 0.26 N ATOM 997 CA GLU A 839 -6.586 -17.986 2.111 1.00 0.29 C ATOM 998 C GLU A 839 -7.809 -17.354 2.762 1.00 0.27 C ATOM 999 O GLU A 839 -8.932 -17.828 2.596 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.063 -19.133 2.980 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.699 -20.476 2.661 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.668 -21.429 3.840 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -5.573 -21.930 4.169 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -7.740 -21.675 4.433 1.00 1.82 O ATOM 0 H GLU A 839 -4.694 -17.148 2.446 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.872 -18.386 1.138 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.983 -19.212 2.852 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.243 -18.895 4.028 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -7.732 -20.320 2.351 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -6.178 -20.930 1.818 1.00 0.71 H new ATOM 1011 N MET A 840 -7.577 -16.273 3.503 1.00 0.25 N ATOM 1012 CA MET A 840 -8.654 -15.561 4.179 1.00 0.24 C ATOM 1013 C MET A 840 -9.466 -14.748 3.177 1.00 0.24 C ATOM 1014 O MET A 840 -10.692 -14.672 3.271 1.00 0.27 O ATOM 1015 CB MET A 840 -8.076 -14.650 5.269 1.00 0.24 C ATOM 1016 CG MET A 840 -8.951 -13.452 5.609 1.00 0.26 C ATOM 1017 SD MET A 840 -8.036 -12.133 6.429 1.00 0.30 S ATOM 1018 CE MET A 840 -7.296 -11.305 5.025 1.00 0.27 C ATOM 0 H MET A 840 -6.651 -15.872 3.650 1.00 0.25 H new ATOM 0 HA MET A 840 -9.318 -16.288 4.646 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.918 -15.239 6.173 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.098 -14.292 4.947 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.399 -13.064 4.695 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.769 -13.776 6.253 1.00 0.26 H new ATOM 0 HE1 MET A 840 -7.265 -10.231 5.210 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.282 -11.677 4.876 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.889 -11.502 4.132 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.774 -14.143 2.216 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.427 -13.339 1.191 1.00 0.24 C ATOM 1030 C LEU A 841 -10.334 -14.201 0.322 1.00 0.24 C ATOM 1031 O LEU A 841 -11.453 -13.809 -0.005 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.380 -12.638 0.320 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.673 -11.454 0.982 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.475 -11.019 0.153 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.638 -10.293 1.176 1.00 0.38 C ATOM 0 H LEU A 841 -7.759 -14.195 2.127 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.039 -12.586 1.688 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.629 -13.370 0.022 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.864 -12.289 -0.592 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.318 -11.771 1.963 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.984 -10.176 0.638 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.772 -11.848 0.066 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.809 -10.721 -0.841 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.116 -9.461 1.648 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -9.025 -9.976 0.208 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.465 -10.610 1.811 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.845 -15.381 -0.048 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.612 -16.302 -0.877 1.00 0.35 C ATOM 1049 C ALA A 842 -11.852 -16.794 -0.145 1.00 0.36 C ATOM 1050 O ALA A 842 -12.865 -17.118 -0.764 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.753 -17.480 -1.294 1.00 0.49 C ATOM 0 H ALA A 842 -8.920 -15.721 0.214 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.932 -15.763 -1.769 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.341 -18.158 -1.912 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.895 -17.121 -1.863 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.404 -18.008 -0.407 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.767 -16.844 1.182 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.884 -17.293 2.003 1.00 0.42 C ATOM 1059 C GLU A 843 -14.006 -16.262 1.991 1.00 0.53 C ATOM 1060 O GLU A 843 -14.989 -16.388 2.723 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.422 -17.545 3.439 1.00 0.45 C ATOM 1062 CG GLU A 843 -13.199 -18.646 4.143 1.00 0.57 C ATOM 1063 CD GLU A 843 -12.407 -19.295 5.261 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -11.829 -18.555 6.086 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -12.366 -20.542 5.313 1.00 1.68 O ATOM 0 H GLU A 843 -10.936 -16.579 1.710 1.00 0.34 H new ATOM 0 HA GLU A 843 -13.262 -18.226 1.585 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.364 -17.806 3.431 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.518 -16.622 4.010 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -14.122 -18.232 4.549 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.484 -19.406 3.416 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.851 -15.240 1.154 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.850 -14.182 1.043 1.00 0.77 C ATOM 1074 C ASN A 844 -14.898 -13.625 -0.377 1.00 0.81 C ATOM 1075 O ASN A 844 -15.469 -12.559 -0.615 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.546 -13.057 2.033 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.064 -13.358 3.425 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.253 -13.209 3.704 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.170 -13.783 4.309 1.00 1.05 N ATOM 0 H ASN A 844 -13.043 -15.122 0.543 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.824 -14.611 1.280 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.469 -12.895 2.076 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -14.993 -12.130 1.674 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.459 -14.000 5.263 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.194 -13.892 4.035 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.295 -14.353 -1.311 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.264 -13.940 -2.711 1.00 0.56 C ATOM 1088 C ASN A 845 -13.589 -12.579 -2.869 1.00 0.48 C ATOM 1089 O ASN A 845 -13.752 -11.911 -3.891 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.681 -13.892 -3.286 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.522 -15.078 -2.852 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.072 -16.222 -2.899 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.751 -14.810 -2.429 1.00 1.97 N ATOM 0 H ASN A 845 -13.819 -15.235 -1.123 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.681 -14.677 -3.264 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.168 -12.970 -2.969 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.628 -13.867 -4.374 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -18.363 -15.568 -2.126 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -18.084 -13.846 -2.406 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.831 -12.175 -1.854 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.132 -10.895 -1.883 1.00 0.31 C ATOM 1102 C GLU A 846 -10.859 -10.988 -2.718 1.00 0.30 C ATOM 1103 O GLU A 846 -10.439 -12.079 -3.108 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.789 -10.438 -0.463 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.652 -9.290 0.035 1.00 0.44 C ATOM 1106 CD GLU A 846 -12.776 -8.166 -0.978 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -11.927 -7.249 -0.955 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -13.721 -8.203 -1.793 1.00 1.69 O ATOM 0 H GLU A 846 -12.685 -12.716 -1.001 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.796 -10.162 -2.341 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.896 -11.283 0.217 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.743 -10.134 -0.431 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -13.646 -9.667 0.277 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -12.227 -8.896 0.958 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.250 -9.837 -2.989 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.024 -9.790 -3.779 1.00 0.31 C ATOM 1117 C LYS A 847 -8.252 -8.497 -3.524 1.00 0.36 C ATOM 1118 O LYS A 847 -7.300 -8.185 -4.237 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.343 -9.918 -5.270 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.660 -9.275 -5.671 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.335 -10.044 -6.794 1.00 0.97 C ATOM 1122 CE LYS A 847 -11.503 -9.184 -8.035 1.00 1.32 C ATOM 1123 NZ LYS A 847 -12.818 -8.486 -8.052 1.00 1.98 N ATOM 0 H LYS A 847 -10.585 -8.926 -2.674 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.400 -10.630 -3.473 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.537 -9.463 -5.845 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.368 -10.974 -5.538 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.324 -9.233 -4.807 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.483 -8.247 -5.987 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.744 -10.926 -7.039 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -12.311 -10.397 -6.460 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -10.700 -8.448 -8.078 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -11.411 -9.808 -8.924 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -12.894 -7.910 -8.914 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.584 -9.189 -8.037 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -12.895 -7.871 -7.217 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.665 -7.753 -2.505 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.006 -6.499 -2.159 1.00 0.37 C ATOM 1139 C PHE A 848 -7.398 -6.579 -0.763 1.00 0.30 C ATOM 1140 O PHE A 848 -8.052 -7.012 0.186 1.00 0.39 O ATOM 1141 CB PHE A 848 -8.994 -5.335 -2.238 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.729 -5.256 -3.546 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.057 -4.937 -4.718 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.091 -5.497 -3.604 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -9.733 -4.862 -5.920 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -11.772 -5.424 -4.804 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.092 -5.107 -5.964 1.00 0.98 C ATOM 0 H PHE A 848 -9.453 -7.996 -1.904 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.204 -6.326 -2.877 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.719 -5.429 -1.429 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.456 -4.401 -2.077 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -7.994 -4.745 -4.690 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.628 -5.745 -2.700 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.200 -4.612 -6.825 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -12.835 -5.615 -4.835 1.00 1.02 H new ATOM 0 HZ PHE A 848 -11.622 -5.051 -6.903 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.139 -6.169 -0.648 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.437 -6.203 0.630 1.00 0.23 C ATOM 1159 C LEU A 849 -5.193 -4.791 1.159 1.00 0.24 C ATOM 1160 O LEU A 849 -4.590 -3.961 0.481 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.107 -6.951 0.473 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.650 -7.767 1.690 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.873 -6.889 2.654 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -4.834 -8.417 2.395 1.00 0.74 C ATOM 0 H LEU A 849 -5.584 -5.809 -1.424 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.061 -6.729 1.353 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.189 -7.623 -0.381 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.330 -6.225 0.234 1.00 0.26 H new ATOM 0 HG LEU A 849 -2.995 -8.563 1.335 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.556 -7.482 3.512 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -1.996 -6.482 2.150 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.508 -6.071 2.994 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.478 -8.988 3.253 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.524 -7.645 2.734 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.348 -9.084 1.703 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.669 -4.530 2.375 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.510 -3.220 3.003 1.00 0.29 C ATOM 1178 C ASN A 850 -4.143 -3.097 3.670 1.00 0.30 C ATOM 1179 O ASN A 850 -3.645 -4.054 4.262 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.615 -2.997 4.039 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.972 -2.777 3.402 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.806 -3.682 3.362 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.203 -1.568 2.899 1.00 0.92 N ATOM 0 H ASN A 850 -6.169 -5.211 2.946 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.584 -2.459 2.226 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.665 -3.859 4.704 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.362 -2.134 4.655 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.100 -1.362 2.459 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -7.484 -0.847 2.954 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.536 -1.914 3.569 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.224 -1.678 4.165 1.00 0.36 C ATOM 1192 C ILE A 851 -2.183 -0.368 4.945 1.00 0.53 C ATOM 1193 O ILE A 851 -2.905 0.574 4.629 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.116 -1.662 3.108 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.459 -2.650 2.011 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.224 -2.003 3.731 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.917 -2.274 0.649 1.00 1.04 C ATOM 0 H ILE A 851 -3.931 -1.109 3.082 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.051 -2.506 4.852 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.041 -0.661 2.682 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -1.072 -3.631 2.286 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.543 -2.742 1.946 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.997 -1.986 2.963 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.463 -1.271 4.503 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.176 -2.997 4.176 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.206 -3.032 -0.079 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -1.324 -1.308 0.349 1.00 1.04 H new ATOM 0 HD13 ILE A 851 0.170 -2.211 0.695 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.328 -0.316 5.961 1.00 0.59 N ATOM 1210 CA ARG A 852 -1.188 0.882 6.782 1.00 0.80 C ATOM 1211 C ARG A 852 0.110 1.615 6.453 1.00 0.83 C ATOM 1212 O ARG A 852 0.923 1.134 5.664 1.00 1.70 O ATOM 1213 CB ARG A 852 -1.219 0.515 8.266 1.00 1.22 C ATOM 1214 CG ARG A 852 -2.621 0.320 8.818 1.00 2.24 C ATOM 1215 CD ARG A 852 -2.975 1.393 9.834 1.00 3.05 C ATOM 1216 NE ARG A 852 -3.275 2.672 9.197 1.00 3.71 N ATOM 1217 CZ ARG A 852 -4.047 3.607 9.745 1.00 4.39 C ATOM 1218 NH1 ARG A 852 -4.590 3.408 10.939 1.00 4.68 N ATOM 1219 NH2 ARG A 852 -4.276 4.742 9.098 1.00 5.09 N ATOM 0 H ARG A 852 -0.722 -1.089 6.236 1.00 0.59 H new ATOM 0 HA ARG A 852 -2.025 1.545 6.563 1.00 0.80 H new ATOM 0 HB2 ARG A 852 -0.648 -0.401 8.417 1.00 1.22 H new ATOM 0 HB3 ARG A 852 -0.720 1.299 8.836 1.00 1.22 H new ATOM 0 HG2 ARG A 852 -3.341 0.341 8.000 1.00 2.24 H new ATOM 0 HG3 ARG A 852 -2.696 -0.662 9.284 1.00 2.24 H new ATOM 0 HD2 ARG A 852 -3.836 1.069 10.419 1.00 3.05 H new ATOM 0 HD3 ARG A 852 -2.146 1.520 10.530 1.00 3.05 H new ATOM 0 HE ARG A 852 -2.870 2.859 8.280 1.00 3.71 H new ATOM 0 HH11 ARG A 852 -4.416 2.536 11.439 1.00 4.68 H new ATOM 0 HH12 ARG A 852 -5.181 4.127 11.357 1.00 4.68 H new ATOM 0 HH21 ARG A 852 -3.860 4.898 8.180 1.00 5.09 H new ATOM 0 HH22 ARG A 852 -4.868 5.458 9.519 1.00 5.09 H new ATOM 1233 N LEU A 853 0.297 2.782 7.062 1.00 0.91 N ATOM 1234 CA LEU A 853 1.499 3.579 6.833 1.00 1.58 C ATOM 1235 C LEU A 853 2.093 4.063 8.152 1.00 2.01 C ATOM 1236 O LEU A 853 2.537 5.208 8.261 1.00 2.60 O ATOM 1237 CB LEU A 853 1.184 4.780 5.934 1.00 1.88 C ATOM 1238 CG LEU A 853 -0.102 4.668 5.115 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -0.859 5.984 5.129 1.00 1.95 C ATOM 1240 CD2 LEU A 853 0.212 4.247 3.686 1.00 2.38 C ATOM 0 H LEU A 853 -0.366 3.197 7.717 1.00 0.91 H new ATOM 0 HA LEU A 853 2.231 2.943 6.335 1.00 1.58 H new ATOM 0 HB2 LEU A 853 1.121 5.672 6.557 1.00 1.88 H new ATOM 0 HB3 LEU A 853 2.019 4.928 5.249 1.00 1.88 H new ATOM 0 HG LEU A 853 -0.734 3.904 5.568 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -1.771 5.885 4.541 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -1.115 6.245 6.156 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -0.234 6.768 4.700 1.00 1.95 H new ATOM 0 HD21 LEU A 853 -0.715 4.172 3.117 1.00 2.38 H new ATOM 0 HD22 LEU A 853 0.863 4.988 3.223 1.00 2.38 H new ATOM 0 HD23 LEU A 853 0.712 3.279 3.694 1.00 2.38 H new ATOM 1252 N TYR A 854 2.098 3.189 9.153 1.00 1.85 N ATOM 1253 CA TYR A 854 2.640 3.533 10.462 1.00 2.27 C ATOM 1254 C TYR A 854 3.592 2.449 10.962 1.00 2.81 C ATOM 1255 O TYR A 854 3.595 1.348 10.371 1.00 3.39 O ATOM 1256 CB TYR A 854 1.503 3.747 11.468 1.00 2.12 C ATOM 1257 CG TYR A 854 0.939 2.464 12.042 1.00 1.65 C ATOM 1258 CD1 TYR A 854 0.318 1.529 11.224 1.00 1.32 C ATOM 1259 CD2 TYR A 854 1.031 2.186 13.401 1.00 1.81 C ATOM 1260 CE1 TYR A 854 -0.198 0.356 11.741 1.00 1.08 C ATOM 1261 CE2 TYR A 854 0.519 1.014 13.927 1.00 1.84 C ATOM 1262 CZ TYR A 854 -0.097 0.109 13.100 1.00 1.48 C ATOM 1263 OH TYR A 854 -0.606 -1.063 13.611 1.00 1.82 O ATOM 1264 OXT TYR A 854 4.328 2.712 11.936 1.00 3.18 O ATOM 0 H TYR A 854 1.733 2.239 9.083 1.00 1.85 H new ATOM 0 HA TYR A 854 3.204 4.461 10.363 1.00 2.27 H new ATOM 0 HB2 TYR A 854 1.867 4.369 12.285 1.00 2.12 H new ATOM 0 HB3 TYR A 854 0.699 4.299 10.981 1.00 2.12 H new ATOM 0 HD1 TYR A 854 0.237 1.722 10.165 1.00 1.32 H new ATOM 0 HD2 TYR A 854 1.510 2.897 14.057 1.00 1.81 H new ATOM 0 HE1 TYR A 854 -0.676 -0.362 11.091 1.00 1.08 H new ATOM 0 HE2 TYR A 854 0.604 0.812 14.985 1.00 1.84 H new ATOM 0 HH TYR A 854 -0.457 -1.090 14.579 1.00 1.82 H new TER 1274 TYR A 854