USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 903 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 862 THR OG1 : rot 180:sc= 0.0405 USER MOD Set 1.2: A 878 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 857 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 858 GLN : amide:sc= 0.0366 K(o=1.2,f=-7.9!) USER MOD Single : A 775 MET CE :methyl -160:sc= -0.954 (180deg=-2.9!) USER MOD Single : A 776 GLN : amide:sc= -1.37! C(o=-1.4!,f=-3.4!) USER MOD Single : A 781 GLN : amide:sc= 0.223 X(o=0.22,f=-0.023) USER MOD Single : A 786 GLN : amide:sc= 0.715 K(o=0.71,f=-6.5!) USER MOD Single : A 789 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.2!) USER MOD Single : A 793 THR OG1 : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 802 ASN : amide:sc= 0.873 K(o=0.87,f=-1.8) USER MOD Single : A 804 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.0048) USER MOD Single : A 806 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.093) USER MOD Single : A 808 SER OG : rot -76:sc= 0.865 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 56:sc= 1.25 USER MOD Single : A 817 THR OG1 : rot -37:sc= 0.8 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.00933 USER MOD Single : A 832 SER OG : rot 58:sc= -0.0402 USER MOD Single : A 839 GLN : amide:sc= -0.575 K(o=-0.58,f=-1.4) USER MOD Single : A 840 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 842 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 845 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.661) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= 0.186 X(o=0.19,f=-0.086) USER MOD Single : A 860 CYS SG : rot 54:sc= 0.68 USER MOD Single : A 865 HIS : no HD1:sc= 0.301 K(o=0.3,f=-3!) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.361) USER MOD Single : A 880 SER OG : rot -69:sc= 0.682 USER MOD Single : A 884 SER OG : rot -89:sc=-0.00942 USER MOD Single : A 885 TYR OH : rot 165:sc= -0.651 USER MOD Single : A 887 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.894) USER MOD Single : A 888 SER OG : rot 180:sc= -0.0897 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -62.862 -7.047 -6.405 1.00 0.00 N ATOM 2 CA MET A 775 -62.702 -5.579 -6.347 1.00 0.00 C ATOM 3 C MET A 775 -63.668 -4.976 -5.342 1.00 0.00 C ATOM 4 O MET A 775 -64.672 -4.373 -5.715 1.00 0.00 O ATOM 5 CB MET A 775 -62.931 -4.965 -7.730 1.00 0.00 C ATOM 6 CG MET A 775 -62.393 -3.550 -7.864 1.00 0.00 C ATOM 7 SD MET A 775 -63.579 -2.399 -8.599 1.00 0.00 S ATOM 8 CE MET A 775 -64.566 -3.493 -9.619 1.00 0.00 C ATOM 0 HA MET A 775 -61.684 -5.357 -6.027 1.00 0.00 H new ATOM 0 HB2 MET A 775 -62.458 -5.597 -8.482 1.00 0.00 H new ATOM 0 HB3 MET A 775 -64.000 -4.960 -7.944 1.00 0.00 H new ATOM 0 HG2 MET A 775 -62.105 -3.184 -6.879 1.00 0.00 H new ATOM 0 HG3 MET A 775 -61.490 -3.569 -8.474 1.00 0.00 H new ATOM 0 HE1 MET A 775 -65.083 -2.911 -10.382 1.00 0.00 H new ATOM 0 HE2 MET A 775 -63.918 -4.226 -10.099 1.00 0.00 H new ATOM 0 HE3 MET A 775 -65.298 -4.008 -8.997 1.00 0.00 H new ATOM 20 N GLN A 776 -63.355 -5.150 -4.067 1.00 0.00 N ATOM 21 CA GLN A 776 -64.130 -4.554 -2.997 1.00 0.00 C ATOM 22 C GLN A 776 -63.349 -4.605 -1.692 1.00 0.00 C ATOM 23 O GLN A 776 -62.813 -5.649 -1.322 1.00 0.00 O ATOM 24 CB GLN A 776 -65.485 -5.251 -2.833 1.00 0.00 C ATOM 25 CG GLN A 776 -66.656 -4.281 -2.705 1.00 0.00 C ATOM 26 CD GLN A 776 -66.333 -2.885 -3.216 1.00 0.00 C ATOM 27 OE1 GLN A 776 -65.641 -2.107 -2.555 1.00 0.00 O ATOM 28 NE2 GLN A 776 -66.827 -2.561 -4.400 1.00 0.00 N ATOM 0 H GLN A 776 -62.561 -5.706 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 776 -64.320 -3.513 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -65.655 -5.903 -3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -65.453 -5.888 -1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -67.509 -4.675 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -66.955 -4.218 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -67.395 -3.232 -4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -66.640 -1.640 -4.796 1.00 0.00 H new ATOM 37 N GLU A 777 -63.257 -3.449 -1.044 1.00 0.00 N ATOM 38 CA GLU A 777 -62.576 -3.297 0.248 1.00 0.00 C ATOM 39 C GLU A 777 -61.057 -3.373 0.087 1.00 0.00 C ATOM 40 O GLU A 777 -60.320 -3.612 1.047 1.00 0.00 O ATOM 41 CB GLU A 777 -63.063 -4.338 1.263 1.00 0.00 C ATOM 42 CG GLU A 777 -63.073 -3.838 2.701 1.00 0.00 C ATOM 43 CD GLU A 777 -63.533 -2.399 2.823 1.00 0.00 C ATOM 44 OE1 GLU A 777 -62.707 -1.482 2.629 1.00 0.00 O ATOM 45 OE2 GLU A 777 -64.723 -2.177 3.124 1.00 0.00 O ATOM 0 H GLU A 777 -63.655 -2.580 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 777 -62.828 -2.308 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -64.070 -4.653 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -62.425 -5.220 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -63.727 -4.475 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -62.071 -3.930 3.119 1.00 0.00 H new ATOM 52 N ALA A 778 -60.608 -3.161 -1.139 1.00 0.00 N ATOM 53 CA ALA A 778 -59.191 -3.116 -1.464 1.00 0.00 C ATOM 54 C ALA A 778 -59.025 -2.527 -2.854 1.00 0.00 C ATOM 55 O ALA A 778 -58.286 -1.560 -3.050 1.00 0.00 O ATOM 56 CB ALA A 778 -58.569 -4.506 -1.393 1.00 0.00 C ATOM 0 H ALA A 778 -61.220 -3.014 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 778 -58.675 -2.490 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -57.509 -4.443 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -58.683 -4.905 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -59.069 -5.165 -2.103 1.00 0.00 H new ATOM 62 N VAL A 779 -59.749 -3.116 -3.807 1.00 0.00 N ATOM 63 CA VAL A 779 -59.806 -2.629 -5.185 1.00 0.00 C ATOM 64 C VAL A 779 -58.463 -2.797 -5.892 1.00 0.00 C ATOM 65 O VAL A 779 -58.257 -3.772 -6.616 1.00 0.00 O ATOM 66 CB VAL A 779 -60.262 -1.150 -5.260 1.00 0.00 C ATOM 67 CG1 VAL A 779 -60.396 -0.695 -6.708 1.00 0.00 C ATOM 68 CG2 VAL A 779 -61.579 -0.955 -4.523 1.00 0.00 C ATOM 0 H VAL A 779 -60.315 -3.949 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 779 -60.550 -3.239 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 779 -59.499 -0.539 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -60.717 0.346 -6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -59.433 -0.790 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -61.134 -1.315 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -61.881 0.090 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -62.346 -1.583 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -61.455 -1.232 -3.476 1.00 0.00 H new ATOM 78 N LEU A 780 -57.552 -1.864 -5.672 1.00 0.00 N ATOM 79 CA LEU A 780 -56.253 -1.902 -6.317 1.00 0.00 C ATOM 80 C LEU A 780 -55.146 -1.959 -5.277 1.00 0.00 C ATOM 81 O LEU A 780 -54.878 -0.970 -4.590 1.00 0.00 O ATOM 82 CB LEU A 780 -56.065 -0.680 -7.219 1.00 0.00 C ATOM 83 CG LEU A 780 -57.086 -0.545 -8.351 1.00 0.00 C ATOM 84 CD1 LEU A 780 -57.267 0.915 -8.737 1.00 0.00 C ATOM 85 CD2 LEU A 780 -56.663 -1.370 -9.556 1.00 0.00 C ATOM 0 H LEU A 780 -57.690 -1.068 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 780 -56.203 -2.800 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -56.109 0.218 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -55.066 -0.719 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 780 -58.043 -0.926 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -57.997 0.990 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -57.621 1.478 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -56.313 1.324 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -57.402 -1.260 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -55.693 -1.022 -9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -56.590 -2.419 -9.271 1.00 0.00 H new ATOM 97 N GLN A 781 -54.522 -3.129 -5.167 1.00 0.00 N ATOM 98 CA GLN A 781 -53.396 -3.352 -4.262 1.00 0.00 C ATOM 99 C GLN A 781 -53.746 -3.013 -2.812 1.00 0.00 C ATOM 100 O GLN A 781 -54.562 -3.690 -2.182 1.00 0.00 O ATOM 101 CB GLN A 781 -52.167 -2.545 -4.713 1.00 0.00 C ATOM 102 CG GLN A 781 -51.948 -2.542 -6.220 1.00 0.00 C ATOM 103 CD GLN A 781 -50.498 -2.742 -6.611 1.00 0.00 C ATOM 104 OE1 GLN A 781 -50.197 -3.436 -7.582 1.00 0.00 O ATOM 105 NE2 GLN A 781 -49.585 -2.145 -5.859 1.00 0.00 N ATOM 0 H GLN A 781 -54.784 -3.954 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 781 -53.159 -4.415 -4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -52.275 -1.516 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -51.280 -2.952 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -52.551 -3.330 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -52.302 -1.596 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -49.873 -1.577 -5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -48.594 -2.253 -6.077 1.00 0.00 H new ATOM 114 N LEU A 782 -53.132 -1.949 -2.313 1.00 0.00 N ATOM 115 CA LEU A 782 -53.201 -1.562 -0.908 1.00 0.00 C ATOM 116 C LEU A 782 -52.223 -0.434 -0.690 1.00 0.00 C ATOM 117 O LEU A 782 -52.471 0.525 0.041 1.00 0.00 O ATOM 118 CB LEU A 782 -52.818 -2.732 0.013 1.00 0.00 C ATOM 119 CG LEU A 782 -51.306 -2.977 0.186 1.00 0.00 C ATOM 120 CD1 LEU A 782 -50.951 -3.071 1.662 1.00 0.00 C ATOM 121 CD2 LEU A 782 -50.893 -4.243 -0.544 1.00 0.00 C ATOM 0 H LEU A 782 -52.563 -1.320 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 782 -54.221 -1.261 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -53.254 -2.554 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -53.273 -3.642 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 782 -50.763 -2.136 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -49.880 -3.244 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -51.219 -2.140 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -51.499 -3.897 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -49.823 -4.405 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -51.441 -5.093 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -51.118 -4.141 -1.606 1.00 0.00 H new ATOM 133 N ILE A 783 -51.109 -0.598 -1.363 1.00 0.00 N ATOM 134 CA ILE A 783 -49.987 0.246 -1.298 1.00 0.00 C ATOM 135 C ILE A 783 -49.070 -0.208 -2.421 1.00 0.00 C ATOM 136 O ILE A 783 -49.408 -1.147 -3.147 1.00 0.00 O ATOM 137 CB ILE A 783 -49.301 0.143 0.082 1.00 0.00 C ATOM 138 CG1 ILE A 783 -48.649 1.464 0.395 1.00 0.00 C ATOM 139 CG2 ILE A 783 -48.291 -0.996 0.144 1.00 0.00 C ATOM 140 CD1 ILE A 783 -48.753 1.872 1.849 1.00 0.00 C ATOM 0 H ILE A 783 -50.975 -1.380 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 783 -50.258 1.295 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 783 -50.059 -0.085 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -47.596 1.413 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -49.105 2.238 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -47.837 -1.026 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -48.796 -1.942 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -47.516 -0.836 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -48.260 2.833 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -49.803 1.957 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -48.271 1.120 2.473 1.00 0.00 H new ATOM 152 N GLU A 784 -47.942 0.424 -2.564 1.00 0.00 N ATOM 153 CA GLU A 784 -47.029 0.097 -3.646 1.00 0.00 C ATOM 154 C GLU A 784 -46.196 -1.126 -3.272 1.00 0.00 C ATOM 155 O GLU A 784 -46.411 -2.221 -3.793 1.00 0.00 O ATOM 156 CB GLU A 784 -46.120 1.296 -3.968 1.00 0.00 C ATOM 157 CG GLU A 784 -46.280 2.472 -3.009 1.00 0.00 C ATOM 158 CD GLU A 784 -47.337 3.465 -3.458 1.00 0.00 C ATOM 159 OE1 GLU A 784 -48.538 3.127 -3.420 1.00 0.00 O ATOM 160 OE2 GLU A 784 -46.973 4.595 -3.841 1.00 0.00 O ATOM 0 H GLU A 784 -47.622 1.172 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 784 -47.610 -0.135 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -45.081 0.966 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -46.330 1.636 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -46.541 2.094 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -45.324 2.987 -2.912 1.00 0.00 H new ATOM 167 N VAL A 785 -45.272 -0.934 -2.342 1.00 0.00 N ATOM 168 CA VAL A 785 -44.392 -2.000 -1.875 1.00 0.00 C ATOM 169 C VAL A 785 -44.098 -1.797 -0.396 1.00 0.00 C ATOM 170 O VAL A 785 -43.201 -1.042 -0.022 1.00 0.00 O ATOM 171 CB VAL A 785 -43.051 -2.061 -2.656 1.00 0.00 C ATOM 172 CG1 VAL A 785 -42.167 -3.175 -2.118 1.00 0.00 C ATOM 173 CG2 VAL A 785 -43.285 -2.257 -4.147 1.00 0.00 C ATOM 0 H VAL A 785 -45.110 -0.035 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 785 -44.911 -2.943 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 785 -42.545 -1.106 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -41.233 -3.201 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -41.953 -2.993 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -42.681 -4.131 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -42.326 -2.295 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -43.823 -3.190 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -43.873 -1.426 -4.535 1.00 0.00 H new ATOM 183 N GLN A 786 -44.873 -2.453 0.441 1.00 0.00 N ATOM 184 CA GLN A 786 -44.742 -2.297 1.874 1.00 0.00 C ATOM 185 C GLN A 786 -43.534 -3.070 2.389 1.00 0.00 C ATOM 186 O GLN A 786 -43.238 -4.168 1.905 1.00 0.00 O ATOM 187 CB GLN A 786 -46.026 -2.756 2.584 1.00 0.00 C ATOM 188 CG GLN A 786 -46.258 -4.260 2.549 1.00 0.00 C ATOM 189 CD GLN A 786 -47.016 -4.715 1.316 1.00 0.00 C ATOM 190 OE1 GLN A 786 -46.565 -4.528 0.184 1.00 0.00 O ATOM 191 NE2 GLN A 786 -48.173 -5.310 1.523 1.00 0.00 N ATOM 0 H GLN A 786 -45.604 -3.103 0.152 1.00 0.00 H new ATOM 0 HA GLN A 786 -44.588 -1.241 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -45.989 -2.430 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -46.879 -2.258 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -45.296 -4.771 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -46.812 -4.557 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -48.513 -5.447 2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -48.729 -5.634 0.731 1.00 0.00 H new ATOM 200 N LEU A 787 -42.815 -2.454 3.326 1.00 0.00 N ATOM 201 CA LEU A 787 -41.716 -3.100 4.056 1.00 0.00 C ATOM 202 C LEU A 787 -40.437 -3.190 3.222 1.00 0.00 C ATOM 203 O LEU A 787 -39.360 -2.839 3.698 1.00 0.00 O ATOM 204 CB LEU A 787 -42.124 -4.502 4.538 1.00 0.00 C ATOM 205 CG LEU A 787 -42.714 -4.580 5.953 1.00 0.00 C ATOM 206 CD1 LEU A 787 -43.290 -3.239 6.379 1.00 0.00 C ATOM 207 CD2 LEU A 787 -43.786 -5.657 6.018 1.00 0.00 C ATOM 0 H LEU A 787 -42.977 -1.486 3.605 1.00 0.00 H new ATOM 0 HA LEU A 787 -41.506 -2.470 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -42.855 -4.907 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -41.248 -5.149 4.495 1.00 0.00 H new ATOM 0 HG LEU A 787 -41.910 -4.838 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -43.701 -3.323 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -42.502 -2.485 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -44.080 -2.946 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -44.196 -5.702 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -44.583 -5.420 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -43.349 -6.622 5.761 1.00 0.00 H new ATOM 219 N ALA A 788 -40.553 -3.639 1.983 1.00 0.00 N ATOM 220 CA ALA A 788 -39.383 -3.888 1.146 1.00 0.00 C ATOM 221 C ALA A 788 -38.796 -2.602 0.566 1.00 0.00 C ATOM 222 O ALA A 788 -37.764 -2.631 -0.104 1.00 0.00 O ATOM 223 CB ALA A 788 -39.741 -4.848 0.028 1.00 0.00 C ATOM 0 H ALA A 788 -41.445 -3.840 1.531 1.00 0.00 H new ATOM 0 HA ALA A 788 -38.618 -4.332 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -38.863 -5.028 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -40.084 -5.791 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -40.534 -4.416 -0.583 1.00 0.00 H new ATOM 229 N GLN A 789 -39.439 -1.477 0.833 1.00 0.00 N ATOM 230 CA GLN A 789 -38.987 -0.195 0.304 1.00 0.00 C ATOM 231 C GLN A 789 -37.887 0.424 1.172 1.00 0.00 C ATOM 232 O GLN A 789 -37.894 1.627 1.425 1.00 0.00 O ATOM 233 CB GLN A 789 -40.166 0.771 0.184 1.00 0.00 C ATOM 234 CG GLN A 789 -40.708 0.892 -1.233 1.00 0.00 C ATOM 235 CD GLN A 789 -41.964 1.739 -1.310 1.00 0.00 C ATOM 236 OE1 GLN A 789 -42.940 1.372 -1.969 1.00 0.00 O ATOM 237 NE2 GLN A 789 -41.947 2.881 -0.639 1.00 0.00 N ATOM 0 H GLN A 789 -40.276 -1.423 1.413 1.00 0.00 H new ATOM 0 HA GLN A 789 -38.565 -0.377 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -40.967 0.438 0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -39.855 1.756 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -39.942 1.327 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -40.922 -0.104 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -41.119 3.147 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -42.762 3.494 -0.655 1.00 0.00 H new ATOM 246 N GLU A 790 -36.956 -0.404 1.635 1.00 0.00 N ATOM 247 CA GLU A 790 -35.804 0.065 2.384 1.00 0.00 C ATOM 248 C GLU A 790 -34.594 -0.801 2.068 1.00 0.00 C ATOM 249 O GLU A 790 -34.705 -2.027 1.988 1.00 0.00 O ATOM 250 CB GLU A 790 -36.077 0.019 3.880 1.00 0.00 C ATOM 251 CG GLU A 790 -36.717 1.282 4.437 1.00 0.00 C ATOM 252 CD GLU A 790 -35.737 2.426 4.589 1.00 0.00 C ATOM 253 OE1 GLU A 790 -35.089 2.801 3.589 1.00 0.00 O ATOM 254 OE2 GLU A 790 -35.612 2.963 5.710 1.00 0.00 O ATOM 0 H GLU A 790 -36.982 -1.415 1.500 1.00 0.00 H new ATOM 0 HA GLU A 790 -35.606 1.097 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -36.728 -0.829 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -35.138 -0.160 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -37.529 1.592 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -37.161 1.060 5.408 1.00 0.00 H new ATOM 261 N GLU A 791 -33.450 -0.159 1.907 1.00 0.00 N ATOM 262 CA GLU A 791 -32.214 -0.844 1.537 1.00 0.00 C ATOM 263 C GLU A 791 -30.995 0.024 1.830 1.00 0.00 C ATOM 264 O GLU A 791 -31.114 1.236 2.006 1.00 0.00 O ATOM 265 CB GLU A 791 -32.231 -1.209 0.052 1.00 0.00 C ATOM 266 CG GLU A 791 -32.411 -2.693 -0.205 1.00 0.00 C ATOM 267 CD GLU A 791 -33.422 -2.980 -1.296 1.00 0.00 C ATOM 268 OE1 GLU A 791 -33.932 -2.022 -1.920 1.00 0.00 O ATOM 269 OE2 GLU A 791 -33.707 -4.169 -1.544 1.00 0.00 O ATOM 0 H GLU A 791 -33.347 0.849 2.028 1.00 0.00 H new ATOM 0 HA GLU A 791 -32.148 -1.753 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -33.037 -0.663 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -31.298 -0.880 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -31.451 -3.129 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -32.729 -3.181 0.716 1.00 0.00 H new ATOM 276 N VAL A 792 -29.828 -0.610 1.873 1.00 0.00 N ATOM 277 CA VAL A 792 -28.560 0.086 2.086 1.00 0.00 C ATOM 278 C VAL A 792 -27.463 -0.579 1.264 1.00 0.00 C ATOM 279 O VAL A 792 -27.567 -1.759 0.925 1.00 0.00 O ATOM 280 CB VAL A 792 -28.137 0.094 3.576 1.00 0.00 C ATOM 281 CG1 VAL A 792 -28.714 1.306 4.292 1.00 0.00 C ATOM 282 CG2 VAL A 792 -28.559 -1.197 4.268 1.00 0.00 C ATOM 0 H VAL A 792 -29.732 -1.619 1.762 1.00 0.00 H new ATOM 0 HA VAL A 792 -28.703 1.120 1.771 1.00 0.00 H new ATOM 0 HB VAL A 792 -27.050 0.159 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -28.405 1.292 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -28.349 2.217 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -29.802 1.278 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -28.251 -1.167 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -29.642 -1.302 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -28.086 -2.046 3.774 1.00 0.00 H new ATOM 292 N THR A 793 -26.417 0.166 0.938 1.00 0.00 N ATOM 293 CA THR A 793 -25.325 -0.373 0.140 1.00 0.00 C ATOM 294 C THR A 793 -23.968 0.042 0.713 1.00 0.00 C ATOM 295 O THR A 793 -23.712 1.224 0.951 1.00 0.00 O ATOM 296 CB THR A 793 -25.438 0.061 -1.342 1.00 0.00 C ATOM 297 OG1 THR A 793 -24.442 -0.598 -2.144 1.00 0.00 O ATOM 298 CG2 THR A 793 -25.301 1.573 -1.493 1.00 0.00 C ATOM 0 H THR A 793 -26.301 1.142 1.212 1.00 0.00 H new ATOM 0 HA THR A 793 -25.400 -1.460 0.181 1.00 0.00 H new ATOM 0 HB THR A 793 -26.429 -0.232 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 793 -24.531 -0.312 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 793 -25.385 1.843 -2.546 1.00 0.00 H new ATOM 0 HG22 THR A 793 -26.090 2.068 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 793 -24.329 1.890 -1.114 1.00 0.00 H new ATOM 306 N GLU A 794 -23.121 -0.945 0.971 1.00 0.00 N ATOM 307 CA GLU A 794 -21.761 -0.695 1.433 1.00 0.00 C ATOM 308 C GLU A 794 -20.914 -1.952 1.282 1.00 0.00 C ATOM 309 O GLU A 794 -21.388 -3.063 1.527 1.00 0.00 O ATOM 310 CB GLU A 794 -21.746 -0.235 2.897 1.00 0.00 C ATOM 311 CG GLU A 794 -22.813 -0.890 3.762 1.00 0.00 C ATOM 312 CD GLU A 794 -22.250 -1.935 4.703 1.00 0.00 C ATOM 313 OE1 GLU A 794 -21.014 -2.103 4.753 1.00 0.00 O ATOM 314 OE2 GLU A 794 -23.048 -2.590 5.404 1.00 0.00 O ATOM 0 H GLU A 794 -23.353 -1.933 0.868 1.00 0.00 H new ATOM 0 HA GLU A 794 -21.342 0.101 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -20.766 -0.447 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -21.880 0.846 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -23.324 -0.122 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -23.561 -1.353 3.119 1.00 0.00 H new ATOM 321 N SER A 795 -19.671 -1.775 0.857 1.00 0.00 N ATOM 322 CA SER A 795 -18.731 -2.885 0.761 1.00 0.00 C ATOM 323 C SER A 795 -17.302 -2.404 1.019 1.00 0.00 C ATOM 324 O SER A 795 -16.461 -2.412 0.120 1.00 0.00 O ATOM 325 CB SER A 795 -18.832 -3.549 -0.618 1.00 0.00 C ATOM 326 OG SER A 795 -19.598 -2.756 -1.512 1.00 0.00 O ATOM 0 H SER A 795 -19.289 -0.873 0.573 1.00 0.00 H new ATOM 0 HA SER A 795 -18.987 -3.622 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 795 -17.833 -3.700 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 795 -19.288 -4.534 -0.518 1.00 0.00 H new ATOM 0 HG SER A 795 -19.646 -3.200 -2.384 1.00 0.00 H new ATOM 332 N PRO A 796 -17.016 -1.943 2.252 1.00 0.00 N ATOM 333 CA PRO A 796 -15.699 -1.486 2.646 1.00 0.00 C ATOM 334 C PRO A 796 -14.928 -2.566 3.397 1.00 0.00 C ATOM 335 O PRO A 796 -15.090 -3.757 3.134 1.00 0.00 O ATOM 336 CB PRO A 796 -16.043 -0.321 3.574 1.00 0.00 C ATOM 337 CG PRO A 796 -17.367 -0.680 4.190 1.00 0.00 C ATOM 338 CD PRO A 796 -17.952 -1.816 3.376 1.00 0.00 C ATOM 0 HA PRO A 796 -15.060 -1.220 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -15.277 -0.188 4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -16.108 0.616 3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -17.238 -0.980 5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -18.037 0.179 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -18.012 -2.737 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -18.962 -1.588 3.035 1.00 0.00 H new ATOM 346 N LEU A 797 -14.077 -2.149 4.322 1.00 0.00 N ATOM 347 CA LEU A 797 -13.385 -3.080 5.186 1.00 0.00 C ATOM 348 C LEU A 797 -14.362 -3.675 6.198 1.00 0.00 C ATOM 349 O LEU A 797 -14.683 -3.046 7.209 1.00 0.00 O ATOM 350 CB LEU A 797 -12.241 -2.368 5.915 1.00 0.00 C ATOM 351 CG LEU A 797 -11.173 -1.723 5.021 1.00 0.00 C ATOM 352 CD1 LEU A 797 -10.818 -2.628 3.848 1.00 0.00 C ATOM 353 CD2 LEU A 797 -11.625 -0.354 4.527 1.00 0.00 C ATOM 0 H LEU A 797 -13.852 -1.168 4.490 1.00 0.00 H new ATOM 0 HA LEU A 797 -12.969 -3.885 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -12.669 -1.594 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -11.751 -3.087 6.571 1.00 0.00 H new ATOM 0 HG LEU A 797 -10.276 -1.586 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -10.059 -2.145 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -10.431 -3.575 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -11.709 -2.812 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -10.849 0.080 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -12.544 -0.460 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -11.806 0.299 5.381 1.00 0.00 H new ATOM 365 N GLY A 798 -14.861 -4.865 5.905 1.00 0.00 N ATOM 366 CA GLY A 798 -15.768 -5.536 6.813 1.00 0.00 C ATOM 367 C GLY A 798 -15.247 -6.896 7.226 1.00 0.00 C ATOM 368 O GLY A 798 -15.999 -7.868 7.300 1.00 0.00 O ATOM 0 H GLY A 798 -14.653 -5.381 5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -15.917 -4.919 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -16.742 -5.649 6.336 1.00 0.00 H new ATOM 372 N GLY A 799 -13.952 -6.962 7.494 1.00 0.00 N ATOM 373 CA GLY A 799 -13.334 -8.213 7.883 1.00 0.00 C ATOM 374 C GLY A 799 -12.454 -8.779 6.791 1.00 0.00 C ATOM 375 O GLY A 799 -11.600 -9.627 7.048 1.00 0.00 O ATOM 0 H GLY A 799 -13.314 -6.167 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -12.739 -8.058 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -14.109 -8.937 8.134 1.00 0.00 H new ATOM 379 N ASP A 800 -12.661 -8.310 5.570 1.00 0.00 N ATOM 380 CA ASP A 800 -11.875 -8.770 4.434 1.00 0.00 C ATOM 381 C ASP A 800 -11.245 -7.590 3.713 1.00 0.00 C ATOM 382 O ASP A 800 -11.894 -6.910 2.913 1.00 0.00 O ATOM 383 CB ASP A 800 -12.736 -9.577 3.461 1.00 0.00 C ATOM 384 CG ASP A 800 -11.906 -10.430 2.515 1.00 0.00 C ATOM 385 OD1 ASP A 800 -10.720 -10.107 2.282 1.00 0.00 O ATOM 386 OD2 ASP A 800 -12.437 -11.433 1.996 1.00 0.00 O ATOM 0 H ASP A 800 -13.367 -7.611 5.340 1.00 0.00 H new ATOM 0 HA ASP A 800 -11.085 -9.418 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -13.411 -10.220 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -13.357 -8.895 2.880 1.00 0.00 H new ATOM 391 N GLU A 801 -9.984 -7.348 4.015 1.00 0.00 N ATOM 392 CA GLU A 801 -9.241 -6.262 3.404 1.00 0.00 C ATOM 393 C GLU A 801 -8.863 -6.610 1.970 1.00 0.00 C ATOM 394 O GLU A 801 -8.828 -5.742 1.095 1.00 0.00 O ATOM 395 CB GLU A 801 -7.990 -5.964 4.229 1.00 0.00 C ATOM 396 CG GLU A 801 -8.284 -5.758 5.708 1.00 0.00 C ATOM 397 CD GLU A 801 -8.110 -7.024 6.521 1.00 0.00 C ATOM 398 OE1 GLU A 801 -8.154 -8.127 5.932 1.00 0.00 O ATOM 399 OE2 GLU A 801 -7.950 -6.926 7.759 1.00 0.00 O ATOM 0 H GLU A 801 -9.447 -7.896 4.688 1.00 0.00 H new ATOM 0 HA GLU A 801 -9.872 -5.373 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -7.284 -6.786 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -7.506 -5.071 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -7.624 -4.985 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -9.305 -5.394 5.824 1.00 0.00 H new ATOM 406 N ASN A 802 -8.605 -7.891 1.734 1.00 0.00 N ATOM 407 CA ASN A 802 -8.238 -8.380 0.407 1.00 0.00 C ATOM 408 C ASN A 802 -9.365 -8.124 -0.586 1.00 0.00 C ATOM 409 O ASN A 802 -9.124 -7.691 -1.713 1.00 0.00 O ATOM 410 CB ASN A 802 -7.902 -9.883 0.466 1.00 0.00 C ATOM 411 CG ASN A 802 -8.277 -10.649 -0.801 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.452 -10.914 -1.063 1.00 0.00 O ATOM 413 ND2 ASN A 802 -7.284 -11.037 -1.584 1.00 0.00 N ATOM 0 H ASN A 802 -8.643 -8.616 2.450 1.00 0.00 H new ATOM 0 HA ASN A 802 -7.354 -7.839 0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.834 -10.000 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.420 -10.328 1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -7.481 -11.571 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -6.321 -10.803 -1.341 1.00 0.00 H new ATOM 420 N ALA A 803 -10.595 -8.390 -0.156 1.00 0.00 N ATOM 421 CA ALA A 803 -11.761 -8.207 -1.011 1.00 0.00 C ATOM 422 C ALA A 803 -11.885 -6.758 -1.462 1.00 0.00 C ATOM 423 O ALA A 803 -12.079 -6.478 -2.645 1.00 0.00 O ATOM 424 CB ALA A 803 -13.024 -8.652 -0.292 1.00 0.00 C ATOM 0 H ALA A 803 -10.809 -8.733 0.780 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.630 -8.827 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.885 -8.508 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.940 -9.706 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.154 -8.061 0.615 1.00 0.00 H new ATOM 430 N GLN A 804 -11.744 -5.835 -0.518 1.00 0.00 N ATOM 431 CA GLN A 804 -11.858 -4.418 -0.827 1.00 0.00 C ATOM 432 C GLN A 804 -10.683 -3.952 -1.681 1.00 0.00 C ATOM 433 O GLN A 804 -10.865 -3.189 -2.629 1.00 0.00 O ATOM 434 CB GLN A 804 -11.944 -3.588 0.451 1.00 0.00 C ATOM 435 CG GLN A 804 -13.020 -2.516 0.399 1.00 0.00 C ATOM 436 CD GLN A 804 -12.550 -1.250 -0.292 1.00 0.00 C ATOM 437 OE1 GLN A 804 -13.135 -0.813 -1.284 1.00 0.00 O ATOM 438 NE2 GLN A 804 -11.486 -0.656 0.228 1.00 0.00 N ATOM 0 H GLN A 804 -11.552 -6.042 0.462 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.777 -4.273 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -12.141 -4.250 1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.979 -3.116 0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.893 -2.908 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -13.337 -2.275 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -11.032 -1.052 1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -11.121 0.198 -0.195 1.00 0.00 H new ATOM 447 N LEU A 805 -9.484 -4.425 -1.352 1.00 0.00 N ATOM 448 CA LEU A 805 -8.287 -4.076 -2.114 1.00 0.00 C ATOM 449 C LEU A 805 -8.403 -4.588 -3.550 1.00 0.00 C ATOM 450 O LEU A 805 -7.888 -3.979 -4.490 1.00 0.00 O ATOM 451 CB LEU A 805 -7.033 -4.640 -1.428 1.00 0.00 C ATOM 452 CG LEU A 805 -6.027 -5.346 -2.335 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.680 -4.636 -2.291 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.873 -6.806 -1.931 1.00 0.00 C ATOM 0 H LEU A 805 -9.315 -5.050 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 805 -8.196 -2.990 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.522 -3.821 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.351 -5.342 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.403 -5.311 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.975 -5.152 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.800 -3.607 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.300 -4.640 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.152 -7.292 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.520 -6.863 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.836 -7.310 -2.013 1.00 0.00 H new ATOM 466 N HIS A 806 -9.093 -5.711 -3.707 1.00 0.00 N ATOM 467 CA HIS A 806 -9.360 -6.270 -5.023 1.00 0.00 C ATOM 468 C HIS A 806 -10.327 -5.379 -5.794 1.00 0.00 C ATOM 469 O HIS A 806 -10.129 -5.112 -6.976 1.00 0.00 O ATOM 470 CB HIS A 806 -9.951 -7.677 -4.896 1.00 0.00 C ATOM 471 CG HIS A 806 -9.361 -8.655 -5.857 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.527 -10.017 -5.747 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.602 -8.460 -6.958 1.00 0.00 C ATOM 474 CE1 HIS A 806 -8.890 -10.616 -6.732 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.321 -9.693 -7.481 1.00 0.00 N ATOM 0 H HIS A 806 -9.479 -6.253 -2.934 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.417 -6.326 -5.566 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.795 -8.038 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.028 -7.627 -5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.278 -7.508 -7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -8.842 -11.682 -6.898 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -7.762 -9.869 -8.316 1.00 0.00 H new ATOM 484 N ALA A 807 -11.361 -4.915 -5.105 1.00 0.00 N ATOM 485 CA ALA A 807 -12.394 -4.088 -5.720 1.00 0.00 C ATOM 486 C ALA A 807 -11.864 -2.705 -6.101 1.00 0.00 C ATOM 487 O ALA A 807 -12.385 -2.065 -7.016 1.00 0.00 O ATOM 488 CB ALA A 807 -13.590 -3.956 -4.787 1.00 0.00 C ATOM 0 H ALA A 807 -11.508 -5.098 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.709 -4.584 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.353 -3.336 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -14.001 -4.944 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.273 -3.493 -3.853 1.00 0.00 H new ATOM 494 N SER A 808 -10.837 -2.239 -5.400 1.00 0.00 N ATOM 495 CA SER A 808 -10.265 -0.924 -5.681 1.00 0.00 C ATOM 496 C SER A 808 -9.255 -1.001 -6.823 1.00 0.00 C ATOM 497 O SER A 808 -8.823 0.022 -7.359 1.00 0.00 O ATOM 498 CB SER A 808 -9.597 -0.356 -4.427 1.00 0.00 C ATOM 499 OG SER A 808 -9.191 -1.396 -3.556 1.00 0.00 O ATOM 0 H SER A 808 -10.385 -2.746 -4.639 1.00 0.00 H new ATOM 0 HA SER A 808 -11.075 -0.260 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.733 0.244 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.290 0.307 -3.910 1.00 0.00 H new ATOM 0 HG SER A 808 -9.974 -1.759 -3.093 1.00 0.00 H new ATOM 505 N GLY A 809 -8.883 -2.222 -7.195 1.00 0.00 N ATOM 506 CA GLY A 809 -7.926 -2.412 -8.266 1.00 0.00 C ATOM 507 C GLY A 809 -6.497 -2.223 -7.803 1.00 0.00 C ATOM 508 O GLY A 809 -5.584 -2.101 -8.618 1.00 0.00 O ATOM 0 H GLY A 809 -9.229 -3.083 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.042 -3.414 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.141 -1.708 -9.070 1.00 0.00 H new ATOM 512 N TYR A 810 -6.297 -2.205 -6.489 1.00 0.00 N ATOM 513 CA TYR A 810 -4.965 -2.029 -5.923 1.00 0.00 C ATOM 514 C TYR A 810 -4.294 -3.381 -5.734 1.00 0.00 C ATOM 515 O TYR A 810 -3.154 -3.468 -5.275 1.00 0.00 O ATOM 516 CB TYR A 810 -5.038 -1.285 -4.589 1.00 0.00 C ATOM 517 CG TYR A 810 -4.694 0.189 -4.683 1.00 0.00 C ATOM 518 CD1 TYR A 810 -3.977 0.693 -5.762 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.087 1.076 -3.688 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.662 2.037 -5.846 1.00 0.00 C ATOM 521 CE2 TYR A 810 -4.776 2.421 -3.765 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.065 2.896 -4.847 1.00 0.00 C ATOM 523 OH TYR A 810 -3.753 4.236 -4.928 1.00 0.00 O ATOM 0 H TYR A 810 -7.039 -2.310 -5.797 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.372 -1.433 -6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -6.044 -1.387 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.359 -1.761 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.661 0.024 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.645 0.708 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.103 2.411 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.088 3.096 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 810 -4.111 4.703 -4.145 1.00 0.00 H new ATOM 533 N TYR A 811 -5.012 -4.439 -6.097 1.00 0.00 N ATOM 534 CA TYR A 811 -4.469 -5.789 -6.046 1.00 0.00 C ATOM 535 C TYR A 811 -3.311 -5.916 -7.028 1.00 0.00 C ATOM 536 O TYR A 811 -2.423 -6.754 -6.863 1.00 0.00 O ATOM 537 CB TYR A 811 -5.562 -6.810 -6.368 1.00 0.00 C ATOM 538 CG TYR A 811 -5.161 -8.251 -6.128 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.070 -8.764 -4.841 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.882 -9.098 -7.192 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.711 -10.080 -4.621 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.524 -10.414 -6.982 1.00 0.00 C ATOM 543 CZ TYR A 811 -4.439 -10.901 -5.696 1.00 0.00 C ATOM 544 OH TYR A 811 -4.080 -12.213 -5.483 1.00 0.00 O ATOM 0 H TYR A 811 -5.974 -4.385 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.099 -5.988 -5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.442 -6.585 -5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.853 -6.695 -7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.283 -8.124 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.946 -8.720 -8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.644 -10.464 -3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.311 -11.059 -7.822 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.773 -12.660 -4.953 1.00 0.00 H new ATOM 554 N ALA A 812 -3.325 -5.061 -8.043 1.00 0.00 N ATOM 555 CA ALA A 812 -2.237 -4.989 -8.999 1.00 0.00 C ATOM 556 C ALA A 812 -0.948 -4.597 -8.292 1.00 0.00 C ATOM 557 O ALA A 812 0.080 -5.245 -8.461 1.00 0.00 O ATOM 558 CB ALA A 812 -2.563 -3.997 -10.105 1.00 0.00 C ATOM 0 H ALA A 812 -4.085 -4.405 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.103 -5.971 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.735 -3.956 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.468 -4.314 -10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.720 -3.009 -9.673 1.00 0.00 H new ATOM 564 N LEU A 813 -1.022 -3.547 -7.476 1.00 0.00 N ATOM 565 CA LEU A 813 0.126 -3.094 -6.697 1.00 0.00 C ATOM 566 C LEU A 813 0.557 -4.179 -5.715 1.00 0.00 C ATOM 567 O LEU A 813 1.752 -4.414 -5.504 1.00 0.00 O ATOM 568 CB LEU A 813 -0.228 -1.817 -5.933 1.00 0.00 C ATOM 569 CG LEU A 813 0.857 -0.741 -5.922 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.283 0.596 -6.359 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.481 -0.632 -4.540 1.00 0.00 C ATOM 0 H LEU A 813 -1.868 -2.994 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 813 0.950 -2.885 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.133 -1.393 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -0.463 -2.083 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 813 1.636 -1.026 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 813 1.069 1.351 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.118 0.507 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.514 0.890 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.252 0.139 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.712 -0.368 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.927 -1.588 -4.266 1.00 0.00 H new ATOM 583 N PHE A 814 -0.439 -4.839 -5.131 1.00 0.00 N ATOM 584 CA PHE A 814 -0.226 -5.920 -4.174 1.00 0.00 C ATOM 585 C PHE A 814 0.675 -7.012 -4.753 1.00 0.00 C ATOM 586 O PHE A 814 1.638 -7.437 -4.117 1.00 0.00 O ATOM 587 CB PHE A 814 -1.579 -6.519 -3.777 1.00 0.00 C ATOM 588 CG PHE A 814 -1.609 -7.141 -2.409 1.00 0.00 C ATOM 589 CD1 PHE A 814 -1.133 -6.454 -1.305 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.124 -8.414 -2.232 1.00 0.00 C ATOM 591 CE1 PHE A 814 -1.173 -7.028 -0.048 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.165 -8.992 -0.980 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.690 -8.299 0.114 1.00 0.00 C ATOM 0 H PHE A 814 -1.423 -4.637 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 814 0.272 -5.508 -3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.336 -5.736 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.857 -7.275 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.727 -5.461 -1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.498 -8.961 -3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.800 -6.483 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.569 -9.986 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.722 -8.749 1.095 1.00 0.00 H new ATOM 603 N VAL A 815 0.371 -7.450 -5.967 1.00 0.00 N ATOM 604 CA VAL A 815 1.129 -8.528 -6.596 1.00 0.00 C ATOM 605 C VAL A 815 2.252 -7.982 -7.473 1.00 0.00 C ATOM 606 O VAL A 815 2.864 -8.717 -8.251 1.00 0.00 O ATOM 607 CB VAL A 815 0.220 -9.445 -7.445 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.836 -10.111 -6.579 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.430 -8.669 -8.582 1.00 0.00 C ATOM 0 H VAL A 815 -0.391 -7.079 -6.535 1.00 0.00 H new ATOM 0 HA VAL A 815 1.563 -9.115 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 815 0.845 -10.224 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.464 -10.751 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.350 -10.713 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.453 -9.347 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.064 -9.338 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.035 -7.861 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.344 -8.251 -9.226 1.00 0.00 H new ATOM 619 N ASP A 816 2.523 -6.693 -7.339 1.00 0.00 N ATOM 620 CA ASP A 816 3.551 -6.044 -8.141 1.00 0.00 C ATOM 621 C ASP A 816 4.787 -5.741 -7.309 1.00 0.00 C ATOM 622 O ASP A 816 5.880 -6.218 -7.608 1.00 0.00 O ATOM 623 CB ASP A 816 3.015 -4.745 -8.752 1.00 0.00 C ATOM 624 CG ASP A 816 4.106 -3.880 -9.350 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.456 -4.089 -10.530 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.611 -2.977 -8.647 1.00 0.00 O ATOM 0 H ASP A 816 2.046 -6.075 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 816 3.828 -6.731 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.286 -4.987 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.489 -4.178 -7.984 1.00 0.00 H new ATOM 631 N THR A 817 4.605 -4.958 -6.259 1.00 0.00 N ATOM 632 CA THR A 817 5.727 -4.463 -5.480 1.00 0.00 C ATOM 633 C THR A 817 6.058 -5.368 -4.294 1.00 0.00 C ATOM 634 O THR A 817 7.229 -5.626 -4.018 1.00 0.00 O ATOM 635 CB THR A 817 5.440 -3.041 -4.971 1.00 0.00 C ATOM 636 OG1 THR A 817 4.544 -2.378 -5.875 1.00 0.00 O ATOM 637 CG2 THR A 817 6.725 -2.240 -4.841 1.00 0.00 C ATOM 0 H THR A 817 3.691 -4.651 -5.926 1.00 0.00 H new ATOM 0 HA THR A 817 6.591 -4.454 -6.145 1.00 0.00 H new ATOM 0 HB THR A 817 4.981 -3.113 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 817 4.755 -2.640 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 817 6.494 -1.238 -4.479 1.00 0.00 H new ATOM 0 HG22 THR A 817 7.393 -2.735 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 817 7.211 -2.171 -5.814 1.00 0.00 H new ATOM 645 N VAL A 818 5.029 -5.878 -3.620 1.00 0.00 N ATOM 646 CA VAL A 818 5.219 -6.575 -2.348 1.00 0.00 C ATOM 647 C VAL A 818 6.131 -7.807 -2.469 1.00 0.00 C ATOM 648 O VAL A 818 7.129 -7.890 -1.758 1.00 0.00 O ATOM 649 CB VAL A 818 3.878 -6.980 -1.699 1.00 0.00 C ATOM 650 CG1 VAL A 818 4.113 -7.518 -0.294 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.924 -5.798 -1.665 1.00 0.00 C ATOM 0 H VAL A 818 4.059 -5.823 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 818 5.717 -5.854 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 818 3.425 -7.768 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.159 -7.800 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.763 -8.392 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.585 -6.748 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.984 -6.102 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.368 -4.989 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.735 -5.454 -2.682 1.00 0.00 H new ATOM 661 N PRO A 819 5.824 -8.777 -3.363 1.00 0.00 N ATOM 662 CA PRO A 819 6.634 -10.001 -3.491 1.00 0.00 C ATOM 663 C PRO A 819 8.109 -9.705 -3.766 1.00 0.00 C ATOM 664 O PRO A 819 9.002 -10.238 -3.092 1.00 0.00 O ATOM 665 CB PRO A 819 6.003 -10.731 -4.680 1.00 0.00 C ATOM 666 CG PRO A 819 4.610 -10.213 -4.743 1.00 0.00 C ATOM 667 CD PRO A 819 4.685 -8.780 -4.300 1.00 0.00 C ATOM 0 HA PRO A 819 6.631 -10.582 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.544 -10.526 -5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 819 6.018 -11.811 -4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.210 -10.289 -5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.949 -10.788 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.853 -8.107 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.763 -8.460 -3.815 1.00 0.00 H new ATOM 675 N ASP A 820 8.353 -8.839 -4.746 1.00 0.00 N ATOM 676 CA ASP A 820 9.711 -8.467 -5.128 1.00 0.00 C ATOM 677 C ASP A 820 10.440 -7.809 -3.966 1.00 0.00 C ATOM 678 O ASP A 820 11.621 -8.068 -3.738 1.00 0.00 O ATOM 679 CB ASP A 820 9.700 -7.514 -6.327 1.00 0.00 C ATOM 680 CG ASP A 820 11.095 -7.224 -6.846 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.651 -8.075 -7.571 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.647 -6.148 -6.526 1.00 0.00 O ATOM 0 H ASP A 820 7.624 -8.380 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 820 10.236 -9.381 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 820 9.100 -7.948 -7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.220 -6.578 -6.040 1.00 0.00 H new ATOM 687 N ASP A 821 9.723 -6.973 -3.226 1.00 0.00 N ATOM 688 CA ASP A 821 10.312 -6.249 -2.106 1.00 0.00 C ATOM 689 C ASP A 821 10.554 -7.165 -0.917 1.00 0.00 C ATOM 690 O ASP A 821 11.501 -6.969 -0.162 1.00 0.00 O ATOM 691 CB ASP A 821 9.419 -5.084 -1.693 1.00 0.00 C ATOM 692 CG ASP A 821 9.960 -3.756 -2.170 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.981 -3.745 -2.895 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.365 -2.717 -1.832 1.00 0.00 O ATOM 0 H ASP A 821 8.734 -6.779 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 821 11.275 -5.860 -2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.418 -5.234 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.324 -5.068 -0.607 1.00 0.00 H new ATOM 699 N VAL A 822 9.701 -8.165 -0.749 1.00 0.00 N ATOM 700 CA VAL A 822 9.879 -9.142 0.314 1.00 0.00 C ATOM 701 C VAL A 822 11.197 -9.895 0.124 1.00 0.00 C ATOM 702 O VAL A 822 12.023 -9.966 1.040 1.00 0.00 O ATOM 703 CB VAL A 822 8.693 -10.138 0.370 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.063 -11.410 1.122 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.481 -9.482 1.013 1.00 0.00 C ATOM 0 H VAL A 822 8.880 -8.321 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 822 9.909 -8.605 1.262 1.00 0.00 H new ATOM 0 HB VAL A 822 8.447 -10.416 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.207 -12.084 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.899 -11.899 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.349 -11.159 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.656 -10.194 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.731 -9.170 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.186 -8.611 0.428 1.00 0.00 H new ATOM 715 N LYS A 823 11.415 -10.425 -1.078 1.00 0.00 N ATOM 716 CA LYS A 823 12.667 -11.121 -1.365 1.00 0.00 C ATOM 717 C LYS A 823 13.822 -10.120 -1.437 1.00 0.00 C ATOM 718 O LYS A 823 14.976 -10.467 -1.187 1.00 0.00 O ATOM 719 CB LYS A 823 12.570 -11.955 -2.652 1.00 0.00 C ATOM 720 CG LYS A 823 12.302 -11.150 -3.912 1.00 0.00 C ATOM 721 CD LYS A 823 11.398 -11.903 -4.878 1.00 0.00 C ATOM 722 CE LYS A 823 12.044 -13.191 -5.374 1.00 0.00 C ATOM 723 NZ LYS A 823 12.852 -12.975 -6.602 1.00 0.00 N ATOM 0 H LYS A 823 10.755 -10.388 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 823 12.863 -11.817 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 823 13.501 -12.508 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 823 11.776 -12.692 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.839 -10.200 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 823 13.247 -10.917 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 823 10.454 -12.137 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.163 -11.264 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 823 12.680 -13.602 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 823 11.269 -13.930 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 13.273 -13.877 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 12.241 -12.607 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 13.609 -12.289 -6.404 1.00 0.00 H new ATOM 737 N ARG A 824 13.497 -8.870 -1.758 1.00 0.00 N ATOM 738 CA ARG A 824 14.478 -7.789 -1.740 1.00 0.00 C ATOM 739 C ARG A 824 14.954 -7.546 -0.315 1.00 0.00 C ATOM 740 O ARG A 824 16.149 -7.434 -0.065 1.00 0.00 O ATOM 741 CB ARG A 824 13.874 -6.504 -2.310 1.00 0.00 C ATOM 742 CG ARG A 824 14.877 -5.613 -3.014 1.00 0.00 C ATOM 743 CD ARG A 824 14.482 -5.372 -4.462 1.00 0.00 C ATOM 744 NE ARG A 824 15.634 -5.432 -5.360 1.00 0.00 N ATOM 745 CZ ARG A 824 15.567 -5.779 -6.644 1.00 0.00 C ATOM 746 NH1 ARG A 824 14.396 -6.061 -7.208 1.00 0.00 N ATOM 747 NH2 ARG A 824 16.679 -5.825 -7.364 1.00 0.00 N ATOM 0 H ARG A 824 12.559 -8.581 -2.034 1.00 0.00 H new ATOM 0 HA ARG A 824 15.326 -8.080 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.082 -6.767 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.410 -5.942 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.949 -4.659 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.865 -6.073 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 824 13.746 -6.116 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 824 14.004 -4.396 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 824 16.549 -5.192 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 824 13.539 -6.012 -6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 824 14.355 -6.326 -8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 824 17.575 -5.596 -6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 824 16.639 -6.090 -8.348 1.00 0.00 H new ATOM 761 N LEU A 825 14.006 -7.476 0.619 1.00 0.00 N ATOM 762 CA LEU A 825 14.322 -7.323 2.037 1.00 0.00 C ATOM 763 C LEU A 825 15.247 -8.443 2.495 1.00 0.00 C ATOM 764 O LEU A 825 16.205 -8.207 3.227 1.00 0.00 O ATOM 765 CB LEU A 825 13.043 -7.326 2.880 1.00 0.00 C ATOM 766 CG LEU A 825 12.326 -5.981 2.986 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.832 -6.191 3.156 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.883 -5.169 4.144 1.00 0.00 C ATOM 0 H LEU A 825 13.007 -7.523 0.416 1.00 0.00 H new ATOM 0 HA LEU A 825 14.826 -6.366 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.351 -8.055 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.291 -7.667 3.885 1.00 0.00 H new ATOM 0 HG LEU A 825 12.496 -5.426 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.335 -5.224 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.441 -6.735 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.646 -6.765 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.360 -4.214 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.742 -5.719 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.947 -4.991 3.985 1.00 0.00 H new ATOM 780 N TYR A 826 14.953 -9.661 2.051 1.00 0.00 N ATOM 781 CA TYR A 826 15.813 -10.806 2.332 1.00 0.00 C ATOM 782 C TYR A 826 17.217 -10.569 1.786 1.00 0.00 C ATOM 783 O TYR A 826 18.214 -10.879 2.438 1.00 0.00 O ATOM 784 CB TYR A 826 15.231 -12.071 1.707 1.00 0.00 C ATOM 785 CG TYR A 826 14.133 -12.708 2.525 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.295 -12.932 3.886 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.935 -13.090 1.935 1.00 0.00 C ATOM 788 CE1 TYR A 826 13.296 -13.521 4.636 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.932 -13.680 2.677 1.00 0.00 C ATOM 790 CZ TYR A 826 12.117 -13.892 4.026 1.00 0.00 C ATOM 791 OH TYR A 826 11.122 -14.482 4.765 1.00 0.00 O ATOM 0 H TYR A 826 14.126 -9.881 1.495 1.00 0.00 H new ATOM 0 HA TYR A 826 15.869 -10.931 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.841 -11.830 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 826 16.032 -12.796 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.218 -12.641 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.786 -12.923 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.438 -13.690 5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 826 11.007 -13.974 2.203 1.00 0.00 H new ATOM 0 HH TYR A 826 10.358 -14.681 4.185 1.00 0.00 H new ATOM 801 N THR A 827 17.282 -9.991 0.595 1.00 0.00 N ATOM 802 CA THR A 827 18.549 -9.722 -0.063 1.00 0.00 C ATOM 803 C THR A 827 19.354 -8.677 0.711 1.00 0.00 C ATOM 804 O THR A 827 20.552 -8.849 0.942 1.00 0.00 O ATOM 805 CB THR A 827 18.319 -9.239 -1.508 1.00 0.00 C ATOM 806 OG1 THR A 827 17.414 -10.127 -2.182 1.00 0.00 O ATOM 807 CG2 THR A 827 19.626 -9.167 -2.280 1.00 0.00 C ATOM 0 H THR A 827 16.463 -9.698 0.062 1.00 0.00 H new ATOM 0 HA THR A 827 19.116 -10.652 -0.087 1.00 0.00 H new ATOM 0 HB THR A 827 17.890 -8.238 -1.463 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.492 -9.901 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.430 -8.823 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.303 -8.471 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 827 20.084 -10.156 -2.314 1.00 0.00 H new ATOM 815 N GLU A 828 18.688 -7.607 1.130 1.00 0.00 N ATOM 816 CA GLU A 828 19.342 -6.556 1.899 1.00 0.00 C ATOM 817 C GLU A 828 19.775 -7.088 3.263 1.00 0.00 C ATOM 818 O GLU A 828 20.806 -6.680 3.805 1.00 0.00 O ATOM 819 CB GLU A 828 18.411 -5.350 2.071 1.00 0.00 C ATOM 820 CG GLU A 828 17.690 -4.943 0.794 1.00 0.00 C ATOM 821 CD GLU A 828 18.637 -4.495 -0.303 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.085 -5.349 -1.095 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.941 -3.289 -0.379 1.00 0.00 O ATOM 0 H GLU A 828 17.697 -7.445 0.950 1.00 0.00 H new ATOM 0 HA GLU A 828 20.227 -6.232 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.671 -5.581 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 828 18.993 -4.503 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.097 -5.784 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 828 16.994 -4.135 1.018 1.00 0.00 H new ATOM 830 N ALA A 829 18.989 -8.013 3.808 1.00 0.00 N ATOM 831 CA ALA A 829 19.319 -8.650 5.076 1.00 0.00 C ATOM 832 C ALA A 829 20.553 -9.532 4.925 1.00 0.00 C ATOM 833 O ALA A 829 21.350 -9.673 5.855 1.00 0.00 O ATOM 834 CB ALA A 829 18.138 -9.465 5.588 1.00 0.00 C ATOM 0 H ALA A 829 18.118 -8.337 3.389 1.00 0.00 H new ATOM 0 HA ALA A 829 19.540 -7.871 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.403 -9.933 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.280 -8.809 5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.885 -10.236 4.860 1.00 0.00 H new ATOM 840 N ALA A 830 20.710 -10.114 3.740 1.00 0.00 N ATOM 841 CA ALA A 830 21.876 -10.930 3.433 1.00 0.00 C ATOM 842 C ALA A 830 23.133 -10.069 3.416 1.00 0.00 C ATOM 843 O ALA A 830 24.177 -10.462 3.932 1.00 0.00 O ATOM 844 CB ALA A 830 21.695 -11.636 2.099 1.00 0.00 C ATOM 0 H ALA A 830 20.040 -10.034 2.975 1.00 0.00 H new ATOM 0 HA ALA A 830 21.985 -11.687 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.576 -12.241 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.815 -12.278 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.564 -10.895 1.310 1.00 0.00 H new ATOM 850 N THR A 831 23.012 -8.882 2.834 1.00 0.00 N ATOM 851 CA THR A 831 24.111 -7.927 2.797 1.00 0.00 C ATOM 852 C THR A 831 24.293 -7.238 4.149 1.00 0.00 C ATOM 853 O THR A 831 25.238 -6.471 4.343 1.00 0.00 O ATOM 854 CB THR A 831 23.868 -6.861 1.712 1.00 0.00 C ATOM 855 OG1 THR A 831 23.153 -7.446 0.618 1.00 0.00 O ATOM 856 CG2 THR A 831 25.180 -6.269 1.212 1.00 0.00 C ATOM 0 H THR A 831 22.159 -8.557 2.379 1.00 0.00 H new ATOM 0 HA THR A 831 25.018 -8.484 2.562 1.00 0.00 H new ATOM 0 HB THR A 831 23.280 -6.055 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.997 -6.767 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.973 -5.520 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.709 -5.802 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.798 -7.060 0.787 1.00 0.00 H new ATOM 864 N SER A 832 23.390 -7.540 5.086 1.00 0.00 N ATOM 865 CA SER A 832 23.374 -6.937 6.417 1.00 0.00 C ATOM 866 C SER A 832 23.295 -5.422 6.307 1.00 0.00 C ATOM 867 O SER A 832 23.818 -4.687 7.144 1.00 0.00 O ATOM 868 CB SER A 832 24.582 -7.367 7.276 1.00 0.00 C ATOM 869 OG SER A 832 25.587 -8.020 6.510 1.00 0.00 O ATOM 0 H SER A 832 22.642 -8.218 4.938 1.00 0.00 H new ATOM 0 HA SER A 832 22.484 -7.303 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.011 -6.490 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.242 -8.034 8.068 1.00 0.00 H new ATOM 0 HG SER A 832 25.894 -7.423 5.797 1.00 0.00 H new ATOM 875 N ASP A 833 22.623 -4.963 5.264 1.00 0.00 N ATOM 876 CA ASP A 833 22.440 -3.542 5.049 1.00 0.00 C ATOM 877 C ASP A 833 21.136 -3.099 5.675 1.00 0.00 C ATOM 878 O ASP A 833 20.135 -2.899 4.988 1.00 0.00 O ATOM 879 CB ASP A 833 22.458 -3.201 3.562 1.00 0.00 C ATOM 880 CG ASP A 833 22.985 -1.805 3.309 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.554 -0.860 4.007 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.844 -1.648 2.417 1.00 0.00 O ATOM 0 H ASP A 833 22.196 -5.557 4.553 1.00 0.00 H new ATOM 0 HA ASP A 833 23.267 -3.011 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.077 -3.924 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.449 -3.287 3.158 1.00 0.00 H new ATOM 887 N PHE A 834 21.155 -2.983 6.990 1.00 0.00 N ATOM 888 CA PHE A 834 19.985 -2.572 7.755 1.00 0.00 C ATOM 889 C PHE A 834 19.471 -1.202 7.317 1.00 0.00 C ATOM 890 O PHE A 834 18.276 -0.928 7.407 1.00 0.00 O ATOM 891 CB PHE A 834 20.307 -2.568 9.251 1.00 0.00 C ATOM 892 CG PHE A 834 20.749 -3.910 9.764 1.00 0.00 C ATOM 893 CD1 PHE A 834 19.827 -4.825 10.242 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.090 -4.258 9.763 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.234 -6.062 10.708 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.503 -5.490 10.228 1.00 0.00 C ATOM 897 CZ PHE A 834 21.575 -6.393 10.700 1.00 0.00 C ATOM 0 H PHE A 834 21.980 -3.170 7.560 1.00 0.00 H new ATOM 0 HA PHE A 834 19.193 -3.295 7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.090 -1.836 9.446 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.425 -2.247 9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 834 18.778 -4.570 10.251 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.822 -3.556 9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.505 -6.768 11.077 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.552 -5.746 10.222 1.00 0.00 H new ATOM 0 HZ PHE A 834 21.896 -7.358 11.063 1.00 0.00 H new ATOM 907 N ALA A 835 20.364 -0.354 6.828 1.00 0.00 N ATOM 908 CA ALA A 835 19.961 0.946 6.307 1.00 0.00 C ATOM 909 C ALA A 835 19.102 0.769 5.059 1.00 0.00 C ATOM 910 O ALA A 835 18.104 1.467 4.863 1.00 0.00 O ATOM 911 CB ALA A 835 21.179 1.802 6.000 1.00 0.00 C ATOM 0 H ALA A 835 21.366 -0.540 6.781 1.00 0.00 H new ATOM 0 HA ALA A 835 19.370 1.457 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.856 2.768 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.758 1.952 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.798 1.301 5.256 1.00 0.00 H new ATOM 917 N ALA A 836 19.469 -0.209 4.241 1.00 0.00 N ATOM 918 CA ALA A 836 18.738 -0.490 3.017 1.00 0.00 C ATOM 919 C ALA A 836 17.469 -1.252 3.359 1.00 0.00 C ATOM 920 O ALA A 836 16.416 -1.049 2.754 1.00 0.00 O ATOM 921 CB ALA A 836 19.598 -1.281 2.049 1.00 0.00 C ATOM 0 H ALA A 836 20.269 -0.820 4.405 1.00 0.00 H new ATOM 0 HA ALA A 836 18.473 0.449 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 836 19.032 -1.481 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.491 -0.706 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.890 -2.225 2.509 1.00 0.00 H new ATOM 927 N LEU A 837 17.585 -2.121 4.352 1.00 0.00 N ATOM 928 CA LEU A 837 16.441 -2.834 4.895 1.00 0.00 C ATOM 929 C LEU A 837 15.370 -1.843 5.333 1.00 0.00 C ATOM 930 O LEU A 837 14.200 -1.978 4.976 1.00 0.00 O ATOM 931 CB LEU A 837 16.878 -3.690 6.084 1.00 0.00 C ATOM 932 CG LEU A 837 17.189 -5.152 5.765 1.00 0.00 C ATOM 933 CD1 LEU A 837 18.311 -5.660 6.655 1.00 0.00 C ATOM 934 CD2 LEU A 837 15.947 -6.012 5.935 1.00 0.00 C ATOM 0 H LEU A 837 18.471 -2.350 4.802 1.00 0.00 H new ATOM 0 HA LEU A 837 16.028 -3.483 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.764 -3.237 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.092 -3.660 6.839 1.00 0.00 H new ATOM 0 HG LEU A 837 17.512 -5.217 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 837 18.521 -6.703 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 837 19.207 -5.062 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.011 -5.581 7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.188 -7.049 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 837 15.594 -5.942 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 837 15.167 -5.662 5.260 1.00 0.00 H new ATOM 946 N ALA A 838 15.791 -0.828 6.082 1.00 0.00 N ATOM 947 CA ALA A 838 14.886 0.206 6.564 1.00 0.00 C ATOM 948 C ALA A 838 14.282 0.994 5.406 1.00 0.00 C ATOM 949 O ALA A 838 13.114 1.373 5.454 1.00 0.00 O ATOM 950 CB ALA A 838 15.612 1.138 7.519 1.00 0.00 C ATOM 0 H ALA A 838 16.761 -0.701 6.369 1.00 0.00 H new ATOM 0 HA ALA A 838 14.071 -0.281 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 838 14.924 1.906 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 838 15.986 0.568 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.448 1.610 7.002 1.00 0.00 H new ATOM 956 N GLN A 839 15.082 1.248 4.373 1.00 0.00 N ATOM 957 CA GLN A 839 14.591 1.937 3.182 1.00 0.00 C ATOM 958 C GLN A 839 13.493 1.120 2.502 1.00 0.00 C ATOM 959 O GLN A 839 12.423 1.641 2.181 1.00 0.00 O ATOM 960 CB GLN A 839 15.736 2.189 2.198 1.00 0.00 C ATOM 961 CG GLN A 839 16.481 3.490 2.441 1.00 0.00 C ATOM 962 CD GLN A 839 15.598 4.711 2.271 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.876 5.104 3.189 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.654 5.327 1.102 1.00 0.00 N ATOM 0 H GLN A 839 16.068 0.989 4.336 1.00 0.00 H new ATOM 0 HA GLN A 839 14.175 2.895 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.442 1.361 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.336 2.195 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.895 3.484 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.322 3.556 1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 839 16.264 4.971 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.087 6.158 0.936 1.00 0.00 H new ATOM 973 N THR A 840 13.761 -0.168 2.310 1.00 0.00 N ATOM 974 CA THR A 840 12.806 -1.073 1.682 1.00 0.00 C ATOM 975 C THR A 840 11.539 -1.199 2.527 1.00 0.00 C ATOM 976 O THR A 840 10.426 -1.097 2.011 1.00 0.00 O ATOM 977 CB THR A 840 13.427 -2.468 1.460 1.00 0.00 C ATOM 978 OG1 THR A 840 14.805 -2.333 1.083 1.00 0.00 O ATOM 979 CG2 THR A 840 12.680 -3.239 0.381 1.00 0.00 C ATOM 0 H THR A 840 14.639 -0.610 2.583 1.00 0.00 H new ATOM 0 HA THR A 840 12.542 -0.651 0.712 1.00 0.00 H new ATOM 0 HB THR A 840 13.351 -3.023 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.355 -2.221 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 840 13.141 -4.218 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.639 -3.366 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.724 -2.686 -0.557 1.00 0.00 H new ATOM 987 N ALA A 841 11.713 -1.391 3.828 1.00 0.00 N ATOM 988 CA ALA A 841 10.583 -1.496 4.742 1.00 0.00 C ATOM 989 C ALA A 841 9.776 -0.202 4.767 1.00 0.00 C ATOM 990 O ALA A 841 8.558 -0.218 4.942 1.00 0.00 O ATOM 991 CB ALA A 841 11.061 -1.848 6.141 1.00 0.00 C ATOM 0 H ALA A 841 12.626 -1.477 4.274 1.00 0.00 H new ATOM 0 HA ALA A 841 9.933 -2.294 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.204 -1.922 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.586 -2.803 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.736 -1.072 6.501 1.00 0.00 H new ATOM 997 N HIS A 842 10.465 0.918 4.587 1.00 0.00 N ATOM 998 CA HIS A 842 9.820 2.222 4.570 1.00 0.00 C ATOM 999 C HIS A 842 8.931 2.375 3.343 1.00 0.00 C ATOM 1000 O HIS A 842 7.839 2.940 3.423 1.00 0.00 O ATOM 1001 CB HIS A 842 10.861 3.341 4.598 1.00 0.00 C ATOM 1002 CG HIS A 842 10.365 4.595 5.243 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.302 4.762 6.607 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.892 5.741 4.702 1.00 0.00 C ATOM 1005 CE1 HIS A 842 9.809 5.954 6.878 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.551 6.571 5.739 1.00 0.00 N ATOM 0 H HIS A 842 11.475 0.948 4.450 1.00 0.00 H new ATOM 0 HA HIS A 842 9.198 2.295 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.745 2.992 5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.172 3.564 3.577 1.00 0.00 H new ATOM 0 HD1 HIS A 842 10.591 4.072 7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 842 9.800 5.961 3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 842 9.644 6.358 7.866 1.00 0.00 H new ATOM 1015 N ARG A 843 9.396 1.877 2.203 1.00 0.00 N ATOM 1016 CA ARG A 843 8.602 1.939 0.984 1.00 0.00 C ATOM 1017 C ARG A 843 7.400 1.002 1.090 1.00 0.00 C ATOM 1018 O ARG A 843 6.328 1.292 0.556 1.00 0.00 O ATOM 1019 CB ARG A 843 9.469 1.632 -0.252 1.00 0.00 C ATOM 1020 CG ARG A 843 9.346 0.217 -0.799 1.00 0.00 C ATOM 1021 CD ARG A 843 8.350 0.141 -1.951 1.00 0.00 C ATOM 1022 NE ARG A 843 8.857 0.753 -3.182 1.00 0.00 N ATOM 1023 CZ ARG A 843 9.627 0.121 -4.072 1.00 0.00 C ATOM 1024 NH1 ARG A 843 10.019 -1.126 -3.853 1.00 0.00 N ATOM 1025 NH2 ARG A 843 10.011 0.742 -5.183 1.00 0.00 N ATOM 0 H ARG A 843 10.307 1.431 2.098 1.00 0.00 H new ATOM 0 HA ARG A 843 8.221 2.953 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 843 9.205 2.334 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.513 1.816 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 843 10.323 -0.128 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.031 -0.455 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.104 -0.903 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 843 7.425 0.637 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 843 8.606 1.723 -3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.733 -1.608 -3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.607 -1.603 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.718 1.703 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.599 0.257 -5.861 1.00 0.00 H new ATOM 1039 N LEU A 844 7.574 -0.110 1.801 1.00 0.00 N ATOM 1040 CA LEU A 844 6.475 -1.037 2.047 1.00 0.00 C ATOM 1041 C LEU A 844 5.440 -0.397 2.968 1.00 0.00 C ATOM 1042 O LEU A 844 4.236 -0.567 2.768 1.00 0.00 O ATOM 1043 CB LEU A 844 6.994 -2.350 2.645 1.00 0.00 C ATOM 1044 CG LEU A 844 7.442 -3.405 1.626 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.534 -4.775 2.276 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.491 -3.451 0.439 1.00 0.00 C ATOM 0 H LEU A 844 8.463 -0.389 2.215 1.00 0.00 H new ATOM 0 HA LEU A 844 5.997 -1.266 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.834 -2.124 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.210 -2.781 3.268 1.00 0.00 H new ATOM 0 HG LEU A 844 8.431 -3.123 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.853 -5.508 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.257 -4.743 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.557 -5.058 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.830 -4.207 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.489 -3.702 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.472 -2.477 -0.050 1.00 0.00 H new ATOM 1058 N LYS A 845 5.910 0.339 3.981 1.00 0.00 N ATOM 1059 CA LYS A 845 5.026 1.150 4.813 1.00 0.00 C ATOM 1060 C LYS A 845 4.130 2.008 3.937 1.00 0.00 C ATOM 1061 O LYS A 845 2.905 1.974 4.052 1.00 0.00 O ATOM 1062 CB LYS A 845 5.838 2.078 5.714 1.00 0.00 C ATOM 1063 CG LYS A 845 6.446 1.411 6.926 1.00 0.00 C ATOM 1064 CD LYS A 845 7.365 2.373 7.651 1.00 0.00 C ATOM 1065 CE LYS A 845 7.719 1.870 9.031 1.00 0.00 C ATOM 1066 NZ LYS A 845 8.548 2.850 9.778 1.00 0.00 N ATOM 0 H LYS A 845 6.895 0.387 4.241 1.00 0.00 H new ATOM 0 HA LYS A 845 4.427 0.474 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.637 2.526 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 845 5.194 2.891 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 845 5.657 1.075 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 845 7.003 0.525 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.276 2.515 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 845 6.883 3.347 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.805 1.666 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 845 8.258 0.927 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.967 2.388 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 9.306 3.205 9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.952 3.645 10.087 1.00 0.00 H new ATOM 1080 N GLY A 846 4.772 2.759 3.048 1.00 0.00 N ATOM 1081 CA GLY A 846 4.066 3.688 2.193 1.00 0.00 C ATOM 1082 C GLY A 846 3.030 3.023 1.314 1.00 0.00 C ATOM 1083 O GLY A 846 1.907 3.505 1.215 1.00 0.00 O ATOM 0 H GLY A 846 5.782 2.737 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.578 4.441 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.786 4.210 1.563 1.00 0.00 H new ATOM 1087 N VAL A 847 3.392 1.911 0.679 1.00 0.00 N ATOM 1088 CA VAL A 847 2.477 1.243 -0.245 1.00 0.00 C ATOM 1089 C VAL A 847 1.319 0.569 0.495 1.00 0.00 C ATOM 1090 O VAL A 847 0.185 0.612 0.029 1.00 0.00 O ATOM 1091 CB VAL A 847 3.193 0.216 -1.154 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.131 0.922 -2.119 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.940 -0.825 -0.340 1.00 0.00 C ATOM 0 H VAL A 847 4.300 1.458 0.784 1.00 0.00 H new ATOM 0 HA VAL A 847 2.074 2.028 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 847 2.430 -0.306 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.626 0.184 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.561 1.610 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.880 1.479 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.430 -1.529 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.690 -0.333 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.237 -1.361 0.298 1.00 0.00 H new ATOM 1103 N PHE A 848 1.590 -0.023 1.657 1.00 0.00 N ATOM 1104 CA PHE A 848 0.533 -0.653 2.437 1.00 0.00 C ATOM 1105 C PHE A 848 -0.415 0.417 2.968 1.00 0.00 C ATOM 1106 O PHE A 848 -1.634 0.269 2.903 1.00 0.00 O ATOM 1107 CB PHE A 848 1.124 -1.486 3.575 1.00 0.00 C ATOM 1108 CG PHE A 848 1.428 -2.908 3.174 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.405 -3.820 2.970 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.737 -3.329 2.996 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.680 -5.124 2.597 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.019 -4.632 2.624 1.00 0.00 C ATOM 1113 CZ PHE A 848 1.990 -5.530 2.424 1.00 0.00 C ATOM 0 H PHE A 848 2.520 -0.078 2.073 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.031 -1.331 1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.040 -1.011 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.426 -1.493 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.621 -3.509 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.547 -2.631 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 848 -0.128 -5.824 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.044 -4.946 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.208 -6.547 2.133 1.00 0.00 H new ATOM 1123 N ALA A 849 0.154 1.516 3.451 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.638 2.654 3.908 1.00 0.00 C ATOM 1125 C ALA A 849 -1.388 3.283 2.736 1.00 0.00 C ATOM 1126 O ALA A 849 -2.474 3.840 2.900 1.00 0.00 O ATOM 1127 CB ALA A 849 0.255 3.684 4.585 1.00 0.00 C ATOM 0 H ALA A 849 1.162 1.644 3.537 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.368 2.300 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.350 4.526 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.750 3.229 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 849 1.006 4.036 3.877 1.00 0.00 H new ATOM 1133 N MET A 850 -0.799 3.161 1.550 1.00 0.00 N ATOM 1134 CA MET A 850 -1.392 3.674 0.320 1.00 0.00 C ATOM 1135 C MET A 850 -2.699 2.951 0.009 1.00 0.00 C ATOM 1136 O MET A 850 -3.692 3.577 -0.363 1.00 0.00 O ATOM 1137 CB MET A 850 -0.396 3.531 -0.841 1.00 0.00 C ATOM 1138 CG MET A 850 -1.030 3.509 -2.219 1.00 0.00 C ATOM 1139 SD MET A 850 0.070 4.158 -3.490 1.00 0.00 S ATOM 1140 CE MET A 850 -0.249 5.916 -3.338 1.00 0.00 C ATOM 0 H MET A 850 0.103 2.704 1.415 1.00 0.00 H new ATOM 0 HA MET A 850 -1.620 4.731 0.454 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.315 4.356 -0.796 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.173 2.612 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 850 -1.309 2.486 -2.471 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.949 4.095 -2.203 1.00 0.00 H new ATOM 0 HE1 MET A 850 0.359 6.460 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 850 -1.304 6.112 -3.530 1.00 0.00 H new ATOM 0 HE3 MET A 850 0.004 6.246 -2.330 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.699 1.632 0.172 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.922 0.850 0.000 1.00 0.00 C ATOM 1152 C LEU A 851 -4.734 0.863 1.291 1.00 0.00 C ATOM 1153 O LEU A 851 -5.874 0.403 1.322 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.613 -0.599 -0.401 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.171 -0.880 -0.829 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.699 -2.213 -0.268 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.047 -0.866 -2.344 1.00 0.00 C ATOM 0 H LEU A 851 -1.875 1.085 0.421 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.500 1.308 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -3.855 -1.248 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -4.276 -0.878 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.535 -0.091 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.672 -2.397 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -1.746 -2.187 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -2.341 -3.012 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.014 -1.068 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.696 -1.632 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.343 0.112 -2.724 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.113 1.386 2.349 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.725 1.485 3.676 1.00 0.00 C ATOM 1171 C ASN A 852 -4.854 0.101 4.292 1.00 0.00 C ATOM 1172 O ASN A 852 -5.812 -0.207 5.005 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.082 2.203 3.631 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.099 3.461 4.486 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.035 3.696 5.251 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -5.066 4.286 4.364 1.00 0.00 N ATOM 0 H ASN A 852 -3.163 1.756 2.309 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.072 2.090 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.318 2.464 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.862 1.523 3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -5.031 5.145 4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -4.307 4.061 3.721 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.865 -0.726 3.993 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.754 -2.056 4.559 1.00 0.00 C ATOM 1185 C LEU A 853 -3.081 -1.963 5.922 1.00 0.00 C ATOM 1186 O LEU A 853 -1.853 -2.040 6.027 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.939 -2.954 3.619 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.744 -3.751 2.583 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -3.155 -5.141 2.412 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -5.216 -3.840 2.971 1.00 0.00 C ATOM 0 H LEU A 853 -3.113 -0.489 3.346 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.746 -2.491 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.218 -2.332 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.368 -3.657 4.225 1.00 0.00 H new ATOM 0 HG LEU A 853 -3.682 -3.222 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.736 -5.694 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.122 -5.059 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -3.183 -5.668 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -5.757 -4.411 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -5.308 -4.337 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.636 -2.836 3.037 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.890 -1.790 6.963 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.373 -1.524 8.301 1.00 0.00 C ATOM 1204 C VAL A 854 -2.441 -2.641 8.815 1.00 0.00 C ATOM 1205 O VAL A 854 -1.323 -2.339 9.222 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.507 -1.212 9.330 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -5.856 -1.749 8.873 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -4.168 -1.734 10.721 1.00 0.00 C ATOM 0 H VAL A 854 -4.908 -1.829 6.905 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.766 -0.623 8.206 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.582 -0.126 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -6.614 -1.509 9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -6.126 -1.292 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -5.795 -2.831 8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -4.981 -1.497 11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.031 -2.815 10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -3.249 -1.264 11.072 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.841 -3.938 8.785 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.002 -5.018 9.328 1.00 0.00 C ATOM 1220 C PRO A 855 -0.658 -5.125 8.608 1.00 0.00 C ATOM 1221 O PRO A 855 0.378 -5.342 9.237 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.838 -6.286 9.108 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.230 -5.803 8.897 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.102 -4.465 8.233 1.00 0.00 C ATOM 0 HA PRO A 855 -1.751 -4.845 10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.481 -6.848 8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.778 -6.952 9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.794 -6.497 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.763 -5.720 9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.060 -4.556 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.947 -3.817 8.466 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.680 -4.951 7.291 1.00 0.00 N ATOM 1233 CA GLY A 856 0.546 -4.998 6.513 1.00 0.00 C ATOM 1234 C GLY A 856 1.497 -3.874 6.874 1.00 0.00 C ATOM 1235 O GLY A 856 2.685 -4.105 7.116 1.00 0.00 O ATOM 0 H GLY A 856 -1.525 -4.778 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.040 -5.956 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.303 -4.940 5.452 1.00 0.00 H new ATOM 1239 N LYS A 857 0.970 -2.656 6.925 1.00 0.00 N ATOM 1240 CA LYS A 857 1.769 -1.492 7.287 1.00 0.00 C ATOM 1241 C LYS A 857 2.235 -1.604 8.740 1.00 0.00 C ATOM 1242 O LYS A 857 3.350 -1.202 9.074 1.00 0.00 O ATOM 1243 CB LYS A 857 0.962 -0.205 7.058 1.00 0.00 C ATOM 1244 CG LYS A 857 1.640 1.065 7.563 1.00 0.00 C ATOM 1245 CD LYS A 857 1.033 1.555 8.871 1.00 0.00 C ATOM 1246 CE LYS A 857 -0.423 1.968 8.710 1.00 0.00 C ATOM 1247 NZ LYS A 857 -1.094 2.153 10.025 1.00 0.00 N ATOM 0 H LYS A 857 -0.008 -2.449 6.720 1.00 0.00 H new ATOM 0 HA LYS A 857 2.654 -1.453 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.768 -0.098 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.006 -0.305 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.704 0.876 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.554 1.847 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 857 1.105 0.767 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 857 1.610 2.402 9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.477 2.896 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.954 1.210 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -2.125 2.114 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -0.797 1.398 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -0.829 3.077 10.423 1.00 0.00 H new ATOM 1261 N GLN A 858 1.383 -2.175 9.593 1.00 0.00 N ATOM 1262 CA GLN A 858 1.729 -2.412 10.996 1.00 0.00 C ATOM 1263 C GLN A 858 2.980 -3.279 11.095 1.00 0.00 C ATOM 1264 O GLN A 858 3.896 -2.990 11.866 1.00 0.00 O ATOM 1265 CB GLN A 858 0.571 -3.101 11.732 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.513 -2.154 12.230 1.00 0.00 C ATOM 1267 CD GLN A 858 -0.022 -0.732 12.400 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -0.174 0.098 11.506 1.00 0.00 O ATOM 1269 NE2 GLN A 858 0.565 -0.443 13.548 1.00 0.00 N ATOM 0 H GLN A 858 0.445 -2.483 9.336 1.00 0.00 H new ATOM 0 HA GLN A 858 1.921 -1.446 11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.117 -3.833 11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.974 -3.651 12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -1.347 -2.163 11.528 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.895 -2.517 13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 858 0.670 -1.163 14.263 1.00 0.00 H new ATOM 0 HE22 GLN A 858 0.913 0.500 13.720 1.00 0.00 H new ATOM 1278 N LEU A 859 3.016 -4.334 10.286 1.00 0.00 N ATOM 1279 CA LEU A 859 4.160 -5.233 10.246 1.00 0.00 C ATOM 1280 C LEU A 859 5.410 -4.486 9.794 1.00 0.00 C ATOM 1281 O LEU A 859 6.480 -4.640 10.379 1.00 0.00 O ATOM 1282 CB LEU A 859 3.884 -6.411 9.306 1.00 0.00 C ATOM 1283 CG LEU A 859 2.871 -7.437 9.818 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.235 -8.177 8.654 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.541 -8.416 10.772 1.00 0.00 C ATOM 0 H LEU A 859 2.261 -4.586 9.648 1.00 0.00 H new ATOM 0 HA LEU A 859 4.327 -5.619 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.528 -6.018 8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.825 -6.923 9.107 1.00 0.00 H new ATOM 0 HG LEU A 859 2.087 -6.910 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.517 -8.904 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.723 -7.465 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.008 -8.694 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.806 -9.139 11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.343 -8.939 10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.954 -7.872 11.621 1.00 0.00 H new ATOM 1297 N CYS A 860 5.258 -3.658 8.767 1.00 0.00 N ATOM 1298 CA CYS A 860 6.373 -2.882 8.232 1.00 0.00 C ATOM 1299 C CYS A 860 6.921 -1.903 9.273 1.00 0.00 C ATOM 1300 O CYS A 860 8.125 -1.630 9.309 1.00 0.00 O ATOM 1301 CB CYS A 860 5.935 -2.125 6.979 1.00 0.00 C ATOM 1302 SG CYS A 860 5.148 -3.165 5.727 1.00 0.00 S ATOM 0 H CYS A 860 4.371 -3.506 8.286 1.00 0.00 H new ATOM 0 HA CYS A 860 7.171 -3.577 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.242 -1.335 7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.805 -1.639 6.538 1.00 0.00 H new ATOM 0 HG CYS A 860 4.162 -3.820 6.264 1.00 0.00 H new ATOM 1308 N GLU A 861 6.043 -1.382 10.124 1.00 0.00 N ATOM 1309 CA GLU A 861 6.452 -0.457 11.175 1.00 0.00 C ATOM 1310 C GLU A 861 7.306 -1.170 12.218 1.00 0.00 C ATOM 1311 O GLU A 861 8.426 -0.747 12.517 1.00 0.00 O ATOM 1312 CB GLU A 861 5.228 0.172 11.842 1.00 0.00 C ATOM 1313 CG GLU A 861 4.553 1.243 10.997 1.00 0.00 C ATOM 1314 CD GLU A 861 4.547 2.606 11.662 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.631 3.099 12.032 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.456 3.195 11.809 1.00 0.00 O ATOM 0 H GLU A 861 5.043 -1.585 10.106 1.00 0.00 H new ATOM 0 HA GLU A 861 7.048 0.333 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.504 -0.612 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.529 0.609 12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 861 5.064 1.316 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.526 0.941 10.790 1.00 0.00 H new ATOM 1323 N THR A 862 6.777 -2.265 12.754 1.00 0.00 N ATOM 1324 CA THR A 862 7.495 -3.056 13.744 1.00 0.00 C ATOM 1325 C THR A 862 8.772 -3.650 13.148 1.00 0.00 C ATOM 1326 O THR A 862 9.778 -3.806 13.842 1.00 0.00 O ATOM 1327 CB THR A 862 6.606 -4.180 14.303 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.231 -3.778 14.256 1.00 0.00 O ATOM 1329 CG2 THR A 862 6.990 -4.512 15.736 1.00 0.00 C ATOM 0 H THR A 862 5.852 -2.624 12.518 1.00 0.00 H new ATOM 0 HA THR A 862 7.768 -2.389 14.562 1.00 0.00 H new ATOM 0 HB THR A 862 6.751 -5.070 13.690 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.668 -4.497 14.611 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.347 -5.309 16.109 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.029 -4.839 15.768 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.869 -3.626 16.360 1.00 0.00 H new ATOM 1337 N LEU A 863 8.728 -3.967 11.857 1.00 0.00 N ATOM 1338 CA LEU A 863 9.902 -4.457 11.147 1.00 0.00 C ATOM 1339 C LEU A 863 11.016 -3.421 11.185 1.00 0.00 C ATOM 1340 O LEU A 863 12.156 -3.741 11.516 1.00 0.00 O ATOM 1341 CB LEU A 863 9.551 -4.791 9.696 1.00 0.00 C ATOM 1342 CG LEU A 863 10.033 -6.159 9.210 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.242 -6.596 7.991 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.517 -6.120 8.892 1.00 0.00 C ATOM 0 H LEU A 863 7.889 -3.893 11.281 1.00 0.00 H new ATOM 0 HA LEU A 863 10.247 -5.365 11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.468 -4.742 9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.976 -4.023 9.050 1.00 0.00 H new ATOM 0 HG LEU A 863 9.871 -6.884 10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 863 9.597 -7.571 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.185 -6.663 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 863 9.375 -5.868 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.841 -7.102 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.703 -5.382 8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 863 12.074 -5.847 9.788 1.00 0.00 H new ATOM 1356 N GLU A 864 10.680 -2.175 10.866 1.00 0.00 N ATOM 1357 CA GLU A 864 11.658 -1.095 10.882 1.00 0.00 C ATOM 1358 C GLU A 864 12.226 -0.902 12.285 1.00 0.00 C ATOM 1359 O GLU A 864 13.401 -0.581 12.450 1.00 0.00 O ATOM 1360 CB GLU A 864 11.038 0.206 10.378 1.00 0.00 C ATOM 1361 CG GLU A 864 11.669 0.714 9.092 1.00 0.00 C ATOM 1362 CD GLU A 864 11.617 2.221 8.968 1.00 0.00 C ATOM 1363 OE1 GLU A 864 12.440 2.910 9.600 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.732 2.731 8.252 1.00 0.00 O ATOM 0 H GLU A 864 9.739 -1.889 10.594 1.00 0.00 H new ATOM 0 HA GLU A 864 12.474 -1.370 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.971 0.053 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.136 0.970 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.708 0.386 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 864 11.157 0.266 8.240 1.00 0.00 H new ATOM 1371 N HIS A 865 11.388 -1.106 13.298 1.00 0.00 N ATOM 1372 CA HIS A 865 11.845 -1.056 14.686 1.00 0.00 C ATOM 1373 C HIS A 865 12.864 -2.161 14.946 1.00 0.00 C ATOM 1374 O HIS A 865 13.887 -1.937 15.586 1.00 0.00 O ATOM 1375 CB HIS A 865 10.662 -1.188 15.660 1.00 0.00 C ATOM 1376 CG HIS A 865 11.072 -1.224 17.106 1.00 0.00 C ATOM 1377 ND1 HIS A 865 11.139 -0.102 17.896 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.469 -2.255 17.890 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.567 -0.437 19.098 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.777 -1.741 19.124 1.00 0.00 N ATOM 0 H HIS A 865 10.394 -1.306 13.186 1.00 0.00 H new ATOM 0 HA HIS A 865 12.319 -0.089 14.853 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.980 -0.352 15.505 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.109 -2.098 15.425 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.532 -3.293 17.597 1.00 0.00 H new ATOM 0 HE1 HIS A 865 11.720 0.242 19.924 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.112 -2.275 19.926 1.00 0.00 H new ATOM 1389 N LEU A 866 12.579 -3.354 14.447 1.00 0.00 N ATOM 1390 CA LEU A 866 13.488 -4.484 14.608 1.00 0.00 C ATOM 1391 C LEU A 866 14.791 -4.228 13.861 1.00 0.00 C ATOM 1392 O LEU A 866 15.860 -4.675 14.281 1.00 0.00 O ATOM 1393 CB LEU A 866 12.835 -5.769 14.100 1.00 0.00 C ATOM 1394 CG LEU A 866 11.825 -6.403 15.054 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.833 -7.258 14.286 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.539 -7.228 16.111 1.00 0.00 C ATOM 0 H LEU A 866 11.727 -3.567 13.928 1.00 0.00 H new ATOM 0 HA LEU A 866 13.710 -4.600 15.669 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.335 -5.555 13.156 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.618 -6.497 13.888 1.00 0.00 H new ATOM 0 HG LEU A 866 11.274 -5.607 15.555 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.121 -7.702 14.981 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.299 -6.638 13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.366 -8.049 13.758 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.805 -7.673 16.783 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.115 -8.018 15.629 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.210 -6.586 16.681 1.00 0.00 H new ATOM 1408 N ILE A 867 14.692 -3.487 12.767 1.00 0.00 N ATOM 1409 CA ILE A 867 15.856 -3.126 11.973 1.00 0.00 C ATOM 1410 C ILE A 867 16.685 -2.094 12.725 1.00 0.00 C ATOM 1411 O ILE A 867 17.911 -2.174 12.769 1.00 0.00 O ATOM 1412 CB ILE A 867 15.447 -2.562 10.592 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.838 -3.664 9.724 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.638 -1.931 9.884 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.977 -3.141 8.594 1.00 0.00 C ATOM 0 H ILE A 867 13.810 -3.122 12.407 1.00 0.00 H new ATOM 0 HA ILE A 867 16.446 -4.027 11.806 1.00 0.00 H new ATOM 0 HB ILE A 867 14.698 -1.787 10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.641 -4.271 9.306 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.237 -4.320 10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.322 -1.543 8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.032 -1.116 10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.414 -2.682 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.579 -3.979 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.152 -2.558 9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.578 -2.509 7.941 1.00 0.00 H new ATOM 1427 N ARG A 868 15.993 -1.140 13.338 1.00 0.00 N ATOM 1428 CA ARG A 868 16.638 -0.110 14.139 1.00 0.00 C ATOM 1429 C ARG A 868 17.316 -0.722 15.370 1.00 0.00 C ATOM 1430 O ARG A 868 18.294 -0.182 15.887 1.00 0.00 O ATOM 1431 CB ARG A 868 15.607 0.960 14.539 1.00 0.00 C ATOM 1432 CG ARG A 868 15.049 0.818 15.939 1.00 0.00 C ATOM 1433 CD ARG A 868 15.803 1.692 16.914 1.00 0.00 C ATOM 1434 NE ARG A 868 14.921 2.554 17.697 1.00 0.00 N ATOM 1435 CZ ARG A 868 15.231 3.039 18.899 1.00 0.00 C ATOM 1436 NH1 ARG A 868 16.369 2.694 19.489 1.00 0.00 N ATOM 1437 NH2 ARG A 868 14.399 3.860 19.516 1.00 0.00 N ATOM 0 H ARG A 868 14.977 -1.060 13.294 1.00 0.00 H new ATOM 0 HA ARG A 868 17.416 0.368 13.544 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.070 1.942 14.447 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.780 0.930 13.830 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.993 1.090 15.943 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.111 -0.223 16.255 1.00 0.00 H new ATOM 0 HD2 ARG A 868 16.381 1.061 17.589 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.515 2.309 16.367 1.00 0.00 H new ATOM 0 HE ARG A 868 14.014 2.799 17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 868 17.012 2.054 19.022 1.00 0.00 H new ATOM 0 HH12 ARG A 868 16.601 3.069 20.409 1.00 0.00 H new ATOM 0 HH21 ARG A 868 13.519 4.123 19.072 1.00 0.00 H new ATOM 0 HH22 ARG A 868 14.637 4.231 20.436 1.00 0.00 H new ATOM 1451 N GLU A 869 16.785 -1.846 15.836 1.00 0.00 N ATOM 1452 CA GLU A 869 17.369 -2.557 16.967 1.00 0.00 C ATOM 1453 C GLU A 869 18.431 -3.539 16.483 1.00 0.00 C ATOM 1454 O GLU A 869 19.145 -4.144 17.284 1.00 0.00 O ATOM 1455 CB GLU A 869 16.282 -3.301 17.746 1.00 0.00 C ATOM 1456 CG GLU A 869 15.247 -2.383 18.374 1.00 0.00 C ATOM 1457 CD GLU A 869 15.024 -2.669 19.845 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.000 -2.618 20.617 1.00 0.00 O ATOM 1459 OE2 GLU A 869 13.866 -2.935 20.235 1.00 0.00 O ATOM 0 H GLU A 869 15.950 -2.285 15.448 1.00 0.00 H new ATOM 0 HA GLU A 869 17.839 -1.829 17.629 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.778 -3.997 17.076 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.751 -3.896 18.530 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.566 -1.348 18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.302 -2.489 17.841 1.00 0.00 H new ATOM 1466 N LYS A 870 18.524 -3.676 15.160 1.00 0.00 N ATOM 1467 CA LYS A 870 19.470 -4.583 14.517 1.00 0.00 C ATOM 1468 C LYS A 870 19.254 -6.022 14.979 1.00 0.00 C ATOM 1469 O LYS A 870 20.206 -6.784 15.152 1.00 0.00 O ATOM 1470 CB LYS A 870 20.915 -4.146 14.784 1.00 0.00 C ATOM 1471 CG LYS A 870 21.187 -2.684 14.451 1.00 0.00 C ATOM 1472 CD LYS A 870 21.463 -2.487 12.969 1.00 0.00 C ATOM 1473 CE LYS A 870 22.950 -2.330 12.693 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.277 -0.992 12.132 1.00 0.00 N ATOM 0 H LYS A 870 17.941 -3.157 14.503 1.00 0.00 H new ATOM 0 HA LYS A 870 19.291 -4.541 13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.149 -4.319 15.834 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.588 -4.773 14.200 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.330 -2.078 14.745 1.00 0.00 H new ATOM 0 HG3 LYS A 870 22.040 -2.331 15.030 1.00 0.00 H new ATOM 0 HD2 LYS A 870 21.076 -3.339 12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 870 20.931 -1.605 12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 870 23.508 -2.481 13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 870 23.272 -3.103 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.301 -0.929 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 22.766 -0.857 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 22.994 -0.254 12.807 1.00 0.00 H new ATOM 1488 N ASP A 871 17.994 -6.389 15.175 1.00 0.00 N ATOM 1489 CA ASP A 871 17.653 -7.748 15.580 1.00 0.00 C ATOM 1490 C ASP A 871 17.392 -8.604 14.351 1.00 0.00 C ATOM 1491 O ASP A 871 16.249 -8.740 13.912 1.00 0.00 O ATOM 1492 CB ASP A 871 16.425 -7.759 16.497 1.00 0.00 C ATOM 1493 CG ASP A 871 16.239 -9.101 17.179 1.00 0.00 C ATOM 1494 OD1 ASP A 871 17.192 -9.909 17.180 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.141 -9.355 17.724 1.00 0.00 O ATOM 0 H ASP A 871 17.193 -5.768 15.061 1.00 0.00 H new ATOM 0 HA ASP A 871 18.495 -8.160 16.136 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.529 -6.980 17.252 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.535 -7.522 15.914 1.00 0.00 H new ATOM 1500 N VAL A 872 18.463 -9.169 13.806 1.00 0.00 N ATOM 1501 CA VAL A 872 18.406 -9.916 12.548 1.00 0.00 C ATOM 1502 C VAL A 872 17.338 -11.015 12.559 1.00 0.00 C ATOM 1503 O VAL A 872 16.477 -11.028 11.680 1.00 0.00 O ATOM 1504 CB VAL A 872 19.775 -10.530 12.172 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.933 -10.576 10.662 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.914 -9.744 12.807 1.00 0.00 C ATOM 0 H VAL A 872 19.394 -9.124 14.220 1.00 0.00 H new ATOM 0 HA VAL A 872 18.130 -9.182 11.791 1.00 0.00 H new ATOM 0 HB VAL A 872 19.813 -11.549 12.557 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.901 -11.010 10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.139 -11.186 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.873 -9.565 10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.867 -10.195 12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.884 -8.712 12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.808 -9.762 13.892 1.00 0.00 H new ATOM 1516 N PRO A 873 17.361 -11.951 13.541 1.00 0.00 N ATOM 1517 CA PRO A 873 16.362 -13.027 13.628 1.00 0.00 C ATOM 1518 C PRO A 873 14.936 -12.486 13.674 1.00 0.00 C ATOM 1519 O PRO A 873 14.020 -13.054 13.074 1.00 0.00 O ATOM 1520 CB PRO A 873 16.704 -13.754 14.938 1.00 0.00 C ATOM 1521 CG PRO A 873 17.622 -12.839 15.674 1.00 0.00 C ATOM 1522 CD PRO A 873 18.352 -12.055 14.625 1.00 0.00 C ATOM 0 HA PRO A 873 16.397 -13.678 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.805 -13.959 15.519 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.182 -14.714 14.741 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.065 -12.178 16.338 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.318 -13.402 16.296 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.654 -11.074 14.991 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.257 -12.565 14.297 1.00 0.00 H new ATOM 1530 N GLY A 874 14.757 -11.376 14.378 1.00 0.00 N ATOM 1531 CA GLY A 874 13.457 -10.746 14.448 1.00 0.00 C ATOM 1532 C GLY A 874 13.041 -10.178 13.111 1.00 0.00 C ATOM 1533 O GLY A 874 11.889 -10.318 12.698 1.00 0.00 O ATOM 0 H GLY A 874 15.492 -10.901 14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.717 -11.474 14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.478 -9.949 15.192 1.00 0.00 H new ATOM 1537 N ILE A 875 13.992 -9.553 12.428 1.00 0.00 N ATOM 1538 CA ILE A 875 13.746 -8.969 11.118 1.00 0.00 C ATOM 1539 C ILE A 875 13.338 -10.041 10.114 1.00 0.00 C ATOM 1540 O ILE A 875 12.273 -9.953 9.505 1.00 0.00 O ATOM 1541 CB ILE A 875 14.994 -8.228 10.586 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.306 -7.008 11.453 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.800 -7.804 9.136 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.748 -6.554 11.364 1.00 0.00 C ATOM 0 H ILE A 875 14.948 -9.438 12.764 1.00 0.00 H new ATOM 0 HA ILE A 875 12.933 -8.252 11.236 1.00 0.00 H new ATOM 0 HB ILE A 875 15.837 -8.917 10.633 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.656 -6.185 11.155 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.071 -7.241 12.491 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.692 -7.285 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.628 -8.686 8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 875 13.941 -7.137 9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.896 -5.685 12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.404 -7.361 11.690 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.983 -6.289 10.333 1.00 0.00 H new ATOM 1556 N GLU A 876 14.179 -11.062 9.958 1.00 0.00 N ATOM 1557 CA GLU A 876 13.931 -12.114 8.976 1.00 0.00 C ATOM 1558 C GLU A 876 12.609 -12.823 9.257 1.00 0.00 C ATOM 1559 O GLU A 876 11.867 -13.152 8.329 1.00 0.00 O ATOM 1560 CB GLU A 876 15.083 -13.123 8.948 1.00 0.00 C ATOM 1561 CG GLU A 876 15.500 -13.612 10.320 1.00 0.00 C ATOM 1562 CD GLU A 876 16.477 -14.763 10.263 1.00 0.00 C ATOM 1563 OE1 GLU A 876 17.603 -14.572 9.754 1.00 0.00 O ATOM 1564 OE2 GLU A 876 16.129 -15.864 10.741 1.00 0.00 O ATOM 0 H GLU A 876 15.036 -11.182 10.498 1.00 0.00 H new ATOM 0 HA GLU A 876 13.866 -11.643 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.789 -13.979 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.943 -12.665 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 876 15.950 -12.787 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.614 -13.921 10.874 1.00 0.00 H new ATOM 1571 N LYS A 877 12.308 -13.033 10.539 1.00 0.00 N ATOM 1572 CA LYS A 877 11.058 -13.672 10.937 1.00 0.00 C ATOM 1573 C LYS A 877 9.864 -12.792 10.581 1.00 0.00 C ATOM 1574 O LYS A 877 8.809 -13.289 10.186 1.00 0.00 O ATOM 1575 CB LYS A 877 11.058 -13.965 12.439 1.00 0.00 C ATOM 1576 CG LYS A 877 9.919 -14.870 12.888 1.00 0.00 C ATOM 1577 CD LYS A 877 9.161 -14.271 14.062 1.00 0.00 C ATOM 1578 CE LYS A 877 8.167 -13.209 13.615 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.763 -13.644 13.826 1.00 0.00 N ATOM 0 H LYS A 877 12.913 -12.770 11.317 1.00 0.00 H new ATOM 0 HA LYS A 877 10.974 -14.613 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 877 12.007 -14.429 12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.997 -13.023 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.234 -15.034 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.317 -15.845 13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.632 -15.062 14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.869 -13.832 14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 877 8.348 -12.286 14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.324 -12.986 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.134 -13.103 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.678 -14.658 13.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.493 -13.477 14.816 1.00 0.00 H new ATOM 1593 N TYR A 878 10.026 -11.484 10.724 1.00 0.00 N ATOM 1594 CA TYR A 878 8.954 -10.556 10.406 1.00 0.00 C ATOM 1595 C TYR A 878 8.743 -10.473 8.898 1.00 0.00 C ATOM 1596 O TYR A 878 7.615 -10.325 8.430 1.00 0.00 O ATOM 1597 CB TYR A 878 9.245 -9.171 10.981 1.00 0.00 C ATOM 1598 CG TYR A 878 8.196 -8.700 11.964 1.00 0.00 C ATOM 1599 CD1 TYR A 878 7.976 -9.379 13.158 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.420 -7.582 11.695 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.012 -8.955 14.053 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.456 -7.151 12.586 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.255 -7.840 13.763 1.00 0.00 C ATOM 1604 OH TYR A 878 5.293 -7.412 14.651 1.00 0.00 O ATOM 0 H TYR A 878 10.885 -11.045 11.056 1.00 0.00 H new ATOM 0 HA TYR A 878 8.038 -10.930 10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.216 -9.187 11.476 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.316 -8.453 10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.568 -10.252 13.389 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.572 -7.039 10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 878 6.853 -9.494 14.975 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.862 -6.277 12.361 1.00 0.00 H new ATOM 0 HH TYR A 878 4.852 -6.613 14.295 1.00 0.00 H new ATOM 1614 N ILE A 879 9.828 -10.581 8.138 1.00 0.00 N ATOM 1615 CA ILE A 879 9.729 -10.597 6.683 1.00 0.00 C ATOM 1616 C ILE A 879 8.949 -11.823 6.221 1.00 0.00 C ATOM 1617 O ILE A 879 8.104 -11.731 5.331 1.00 0.00 O ATOM 1618 CB ILE A 879 11.115 -10.582 5.996 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.953 -9.402 6.492 1.00 0.00 C ATOM 1620 CG2 ILE A 879 10.961 -10.518 4.480 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.421 -9.517 6.141 1.00 0.00 C ATOM 0 H ILE A 879 10.778 -10.658 8.501 1.00 0.00 H new ATOM 0 HA ILE A 879 9.204 -9.687 6.392 1.00 0.00 H new ATOM 0 HB ILE A 879 11.632 -11.506 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.557 -8.480 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.851 -9.323 7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 879 11.946 -10.508 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.405 -11.389 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.422 -9.611 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.956 -8.647 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.832 -10.421 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.533 -9.565 5.058 1.00 0.00 H new ATOM 1633 N SER A 880 9.211 -12.966 6.851 1.00 0.00 N ATOM 1634 CA SER A 880 8.494 -14.192 6.519 1.00 0.00 C ATOM 1635 C SER A 880 7.041 -14.100 6.976 1.00 0.00 C ATOM 1636 O SER A 880 6.155 -14.717 6.390 1.00 0.00 O ATOM 1637 CB SER A 880 9.168 -15.413 7.152 1.00 0.00 C ATOM 1638 OG SER A 880 10.059 -15.036 8.186 1.00 0.00 O ATOM 0 H SER A 880 9.909 -13.068 7.588 1.00 0.00 H new ATOM 0 HA SER A 880 8.518 -14.311 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.407 -16.083 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.711 -15.968 6.387 1.00 0.00 H new ATOM 0 HG SER A 880 10.831 -14.572 7.800 1.00 0.00 H new ATOM 1644 N ASP A 881 6.806 -13.330 8.032 1.00 0.00 N ATOM 1645 CA ASP A 881 5.450 -13.089 8.521 1.00 0.00 C ATOM 1646 C ASP A 881 4.676 -12.216 7.538 1.00 0.00 C ATOM 1647 O ASP A 881 3.477 -12.391 7.348 1.00 0.00 O ATOM 1648 CB ASP A 881 5.482 -12.427 9.899 1.00 0.00 C ATOM 1649 CG ASP A 881 4.634 -13.163 10.914 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.722 -13.910 10.513 1.00 0.00 O ATOM 1651 OD2 ASP A 881 4.884 -12.999 12.127 1.00 0.00 O ATOM 0 H ASP A 881 7.536 -12.861 8.568 1.00 0.00 H new ATOM 0 HA ASP A 881 4.945 -14.051 8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.512 -12.383 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.130 -11.399 9.813 1.00 0.00 H new ATOM 1656 N ILE A 882 5.371 -11.271 6.916 1.00 0.00 N ATOM 1657 CA ILE A 882 4.785 -10.474 5.845 1.00 0.00 C ATOM 1658 C ILE A 882 4.578 -11.349 4.610 1.00 0.00 C ATOM 1659 O ILE A 882 3.611 -11.186 3.862 1.00 0.00 O ATOM 1660 CB ILE A 882 5.674 -9.258 5.487 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.677 -8.250 6.642 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.199 -8.600 4.195 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.191 -6.873 6.268 1.00 0.00 C ATOM 0 H ILE A 882 6.340 -11.038 7.134 1.00 0.00 H new ATOM 0 HA ILE A 882 3.825 -10.093 6.193 1.00 0.00 H new ATOM 0 HB ILE A 882 6.694 -9.608 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.662 -8.154 7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.289 -8.646 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.839 -7.748 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.247 -9.322 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.171 -8.259 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.159 -6.223 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.218 -6.952 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 882 5.566 -6.453 5.480 1.00 0.00 H new ATOM 1675 N ASP A 883 5.480 -12.299 4.429 1.00 0.00 N ATOM 1676 CA ASP A 883 5.458 -13.186 3.278 1.00 0.00 C ATOM 1677 C ASP A 883 4.277 -14.126 3.391 1.00 0.00 C ATOM 1678 O ASP A 883 3.546 -14.350 2.431 1.00 0.00 O ATOM 1679 CB ASP A 883 6.770 -13.968 3.225 1.00 0.00 C ATOM 1680 CG ASP A 883 6.772 -15.097 2.214 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.440 -14.859 1.035 1.00 0.00 O ATOM 1682 OD2 ASP A 883 7.135 -16.230 2.593 1.00 0.00 O ATOM 0 H ASP A 883 6.248 -12.477 5.076 1.00 0.00 H new ATOM 0 HA ASP A 883 5.355 -12.609 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.582 -13.280 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.977 -14.378 4.213 1.00 0.00 H new ATOM 1687 N SER A 884 4.085 -14.643 4.592 1.00 0.00 N ATOM 1688 CA SER A 884 2.959 -15.499 4.895 1.00 0.00 C ATOM 1689 C SER A 884 1.663 -14.687 4.891 1.00 0.00 C ATOM 1690 O SER A 884 0.615 -15.161 4.440 1.00 0.00 O ATOM 1691 CB SER A 884 3.183 -16.158 6.254 1.00 0.00 C ATOM 1692 OG SER A 884 3.667 -15.225 7.197 1.00 0.00 O ATOM 0 H SER A 884 4.708 -14.479 5.383 1.00 0.00 H new ATOM 0 HA SER A 884 2.872 -16.275 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.248 -16.589 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.894 -16.978 6.151 1.00 0.00 H new ATOM 0 HG SER A 884 4.646 -15.209 7.168 1.00 0.00 H new ATOM 1698 N TYR A 885 1.766 -13.449 5.375 1.00 0.00 N ATOM 1699 CA TYR A 885 0.643 -12.508 5.388 1.00 0.00 C ATOM 1700 C TYR A 885 0.079 -12.363 3.996 1.00 0.00 C ATOM 1701 O TYR A 885 -1.093 -12.634 3.725 1.00 0.00 O ATOM 1702 CB TYR A 885 1.132 -11.128 5.838 1.00 0.00 C ATOM 1703 CG TYR A 885 0.053 -10.068 5.897 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.918 -10.078 6.892 1.00 0.00 C ATOM 1705 CD2 TYR A 885 0.010 -9.051 4.950 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.900 -9.106 6.939 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -0.969 -8.075 4.990 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.920 -8.106 5.986 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.898 -7.137 6.027 1.00 0.00 O ATOM 0 H TYR A 885 2.627 -13.070 5.768 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.118 -12.887 6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.586 -11.221 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.915 -10.794 5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.905 -10.857 7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.755 -9.023 4.169 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.648 -9.128 7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -0.988 -7.293 4.245 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.642 -6.389 5.448 1.00 0.00 H new ATOM 1719 N VAL A 886 0.962 -11.950 3.120 1.00 0.00 N ATOM 1720 CA VAL A 886 0.633 -11.675 1.751 1.00 0.00 C ATOM 1721 C VAL A 886 0.291 -12.970 1.020 1.00 0.00 C ATOM 1722 O VAL A 886 -0.570 -12.988 0.150 1.00 0.00 O ATOM 1723 CB VAL A 886 1.819 -10.927 1.112 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.347 -11.616 -0.138 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.430 -9.497 0.803 1.00 0.00 C ATOM 0 H VAL A 886 1.944 -11.794 3.346 1.00 0.00 H new ATOM 0 HA VAL A 886 -0.251 -11.042 1.682 1.00 0.00 H new ATOM 0 HB VAL A 886 2.630 -10.935 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.181 -11.044 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.685 -12.621 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.553 -11.678 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.276 -8.979 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 886 0.589 -9.490 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.144 -8.990 1.725 1.00 0.00 H new ATOM 1735 N LYS A 887 0.938 -14.058 1.429 1.00 0.00 N ATOM 1736 CA LYS A 887 0.681 -15.379 0.866 1.00 0.00 C ATOM 1737 C LYS A 887 -0.793 -15.752 0.983 1.00 0.00 C ATOM 1738 O LYS A 887 -1.379 -16.303 0.050 1.00 0.00 O ATOM 1739 CB LYS A 887 1.525 -16.434 1.586 1.00 0.00 C ATOM 1740 CG LYS A 887 2.545 -17.125 0.701 1.00 0.00 C ATOM 1741 CD LYS A 887 3.372 -18.123 1.493 1.00 0.00 C ATOM 1742 CE LYS A 887 4.680 -18.440 0.794 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.811 -18.531 1.750 1.00 0.00 N ATOM 0 H LYS A 887 1.652 -14.049 2.157 1.00 0.00 H new ATOM 0 HA LYS A 887 0.951 -15.347 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.045 -15.961 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.861 -17.186 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.035 -17.637 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.202 -16.382 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 887 3.577 -17.721 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.801 -19.041 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.584 -19.382 0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.892 -17.669 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.518 -19.202 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.248 -17.594 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 5.461 -18.861 2.672 1.00 0.00 H new ATOM 1757 N SER A 888 -1.392 -15.464 2.130 1.00 0.00 N ATOM 1758 CA SER A 888 -2.792 -15.799 2.342 1.00 0.00 C ATOM 1759 C SER A 888 -3.710 -14.655 1.911 1.00 0.00 C ATOM 1760 O SER A 888 -4.901 -14.860 1.675 1.00 0.00 O ATOM 1761 CB SER A 888 -3.041 -16.154 3.806 1.00 0.00 C ATOM 1762 OG SER A 888 -2.009 -15.653 4.642 1.00 0.00 O ATOM 0 H SER A 888 -0.937 -15.005 2.919 1.00 0.00 H new ATOM 0 HA SER A 888 -3.023 -16.667 1.724 1.00 0.00 H new ATOM 0 HB2 SER A 888 -4.000 -15.744 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.106 -17.237 3.914 1.00 0.00 H new ATOM 0 HG SER A 888 -2.196 -15.895 5.573 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.160 -13.450 1.809 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.948 -12.290 1.404 1.00 0.00 C ATOM 1770 C LEU A 889 -4.034 -12.174 -0.118 1.00 0.00 C ATOM 1771 O LEU A 889 -4.787 -11.356 -0.641 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.367 -11.010 2.000 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.320 -10.237 2.914 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -4.070 -10.595 4.370 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.173 -8.739 2.697 1.00 0.00 C ATOM 0 H LEU A 889 -2.178 -13.251 2.000 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.959 -12.430 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.470 -11.264 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.056 -10.355 1.186 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.342 -10.520 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.757 -10.036 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -4.230 -11.663 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -3.043 -10.343 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.859 -8.207 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.149 -8.438 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.405 -8.497 1.660 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.237 -12.968 -0.819 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.312 -13.039 -2.274 1.00 0.00 C ATOM 1789 C LEU A 890 -4.569 -13.783 -2.708 1.00 0.00 C ATOM 1790 O LEU A 890 -4.715 -14.968 -2.339 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.082 -13.752 -2.843 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.766 -12.982 -2.722 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.392 -13.833 -3.211 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.834 -11.675 -3.493 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.399 -13.195 -3.431 1.00 0.00 O ATOM 0 H LEU A 890 -2.529 -13.574 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.345 -12.019 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.971 -14.710 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.262 -13.968 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.601 -12.746 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.321 -13.271 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.456 -14.741 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.232 -14.100 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 890 0.113 -11.144 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.024 -11.883 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.640 -11.059 -3.094 1.00 0.00 H new TER 1807 LEU A 890