USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 653 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.449 (180deg=0.119) USER MOD Single : A 7 THR OG1 : rot -96:sc= 1.39 USER MOD Single : A 13 THR OG1 : rot 160:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-2.2) USER MOD Single : A 38 SER OG : rot 106:sc= -0.0374 USER MOD Single : A 45 HIS : no HD1:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 46 MET CE :methyl -168:sc= -1.93! (180deg=-2.07) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00694 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.031) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 158:sc= -2.54 (180deg=-4.08!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 152:sc= -0.369 (180deg=-1.92!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 72 ASN : amide:sc= -2.93! K(o=-2.9!,f=0) USER MOD Single : A 75 THR OG1 : rot -21:sc= 1.1 USER MOD Single : A 77 THR OG1 : rot -66:sc= 0.733 USER MOD Single : A 81 MET CE :methyl -117:sc= -1.33 (180deg=-3!) USER MOD Single : A 94 HIS : no HD1:sc= -0.407 K(o=-0.41,f=-0.96) USER MOD Single : A 97 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.019) USER MOD Single : A 99 HIS : no HD1:sc= 0.0596 K(o=0.06,f=-0.66) USER MOD Single : A 100 HIS : no HD1:sc=-0.00763 X(o=-0.0076,f=-0.07) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.492 -9.454 -24.248 1.00 63.44 N ATOM 2 CA MET A 1 1.382 -8.628 -23.786 1.00 23.14 C ATOM 3 C MET A 1 1.791 -7.798 -22.573 1.00 2.20 C ATOM 4 O MET A 1 1.936 -8.323 -21.470 1.00 32.00 O ATOM 5 CB MET A 1 0.177 -9.505 -23.436 1.00 0.23 C ATOM 6 CG MET A 1 -0.581 -10.009 -24.653 1.00 74.43 C ATOM 7 SD MET A 1 0.087 -11.555 -25.295 1.00 24.13 S ATOM 8 CE MET A 1 -1.419 -12.415 -25.745 1.00 34.01 C ATOM 0 H1 MET A 1 2.120 -10.316 -24.696 1.00 63.44 H new ATOM 0 H2 MET A 1 3.058 -8.921 -24.939 1.00 63.44 H new ATOM 0 H3 MET A 1 3.091 -9.715 -23.439 1.00 63.44 H new ATOM 0 HA MET A 1 1.106 -7.949 -24.593 1.00 23.14 H new ATOM 0 HB2 MET A 1 0.517 -10.359 -22.851 1.00 0.23 H new ATOM 0 HB3 MET A 1 -0.505 -8.936 -22.803 1.00 0.23 H new ATOM 0 HG2 MET A 1 -1.629 -10.152 -24.390 1.00 74.43 H new ATOM 0 HG3 MET A 1 -0.549 -9.251 -25.436 1.00 74.43 H new ATOM 0 HE1 MET A 1 -1.170 -13.392 -26.159 1.00 34.01 H new ATOM 0 HE2 MET A 1 -2.042 -12.544 -24.860 1.00 34.01 H new ATOM 0 HE3 MET A 1 -1.962 -11.833 -26.490 1.00 34.01 H new ATOM 16 N ALA A 2 1.975 -6.499 -22.787 1.00 34.31 N ATOM 17 CA ALA A 2 2.366 -5.596 -21.711 1.00 63.11 C ATOM 18 C ALA A 2 1.969 -4.160 -22.029 1.00 14.52 C ATOM 19 O ALA A 2 2.615 -3.491 -22.837 1.00 31.22 O ATOM 20 CB ALA A 2 3.864 -5.689 -21.461 1.00 63.25 C ATOM 0 H ALA A 2 1.860 -6.049 -23.695 1.00 34.31 H new ATOM 0 HA ALA A 2 1.839 -5.899 -20.806 1.00 63.11 H new ATOM 0 HB1 ALA A 2 4.141 -5.009 -20.655 1.00 63.25 H new ATOM 0 HB2 ALA A 2 4.123 -6.710 -21.180 1.00 63.25 H new ATOM 0 HB3 ALA A 2 4.402 -5.415 -22.368 1.00 63.25 H new ATOM 26 N ARG A 3 0.902 -3.689 -21.390 1.00 25.42 N ATOM 27 CA ARG A 3 0.418 -2.331 -21.607 1.00 23.41 C ATOM 28 C ARG A 3 0.151 -1.630 -20.278 1.00 25.43 C ATOM 29 O ARG A 3 0.205 -2.250 -19.218 1.00 74.51 O ATOM 30 CB ARG A 3 -0.857 -2.351 -22.452 1.00 13.10 C ATOM 31 CG ARG A 3 -0.680 -3.010 -23.809 1.00 0.35 C ATOM 32 CD ARG A 3 -1.949 -3.720 -24.254 1.00 12.25 C ATOM 33 NE ARG A 3 -1.659 -4.913 -25.045 1.00 50.12 N ATOM 34 CZ ARG A 3 -2.580 -5.582 -25.730 1.00 11.11 C ATOM 35 NH1 ARG A 3 -3.842 -5.176 -25.722 1.00 73.12 N ATOM 36 NH2 ARG A 3 -2.239 -6.660 -26.425 1.00 2.21 N ATOM 0 H ARG A 3 0.357 -4.228 -20.718 1.00 25.42 H new ATOM 0 HA ARG A 3 1.190 -1.777 -22.141 1.00 23.41 H new ATOM 0 HB2 ARG A 3 -1.638 -2.876 -21.902 1.00 13.10 H new ATOM 0 HB3 ARG A 3 -1.202 -1.327 -22.597 1.00 13.10 H new ATOM 0 HG2 ARG A 3 -0.405 -2.257 -24.547 1.00 0.35 H new ATOM 0 HG3 ARG A 3 0.141 -3.725 -23.763 1.00 0.35 H new ATOM 0 HD2 ARG A 3 -2.535 -3.999 -23.378 1.00 12.25 H new ATOM 0 HD3 ARG A 3 -2.561 -3.035 -24.841 1.00 12.25 H new ATOM 0 HE ARG A 3 -0.697 -5.251 -25.073 1.00 50.12 H new ATOM 0 HH11 ARG A 3 -4.108 -4.348 -25.189 1.00 73.12 H new ATOM 0 HH12 ARG A 3 -4.547 -5.692 -26.249 1.00 73.12 H new ATOM 0 HH21 ARG A 3 -1.269 -6.976 -26.434 1.00 2.21 H new ATOM 0 HH22 ARG A 3 -2.947 -7.173 -26.951 1.00 2.21 H new ATOM 47 N ALA A 4 -0.134 -0.334 -20.346 1.00 60.12 N ATOM 48 CA ALA A 4 -0.411 0.451 -19.150 1.00 30.32 C ATOM 49 C ALA A 4 -1.576 -0.139 -18.364 1.00 75.21 C ATOM 50 O ALA A 4 -1.646 -0.003 -17.141 1.00 23.13 O ATOM 51 CB ALA A 4 -0.701 1.897 -19.522 1.00 45.32 C ATOM 0 H ALA A 4 -0.179 0.195 -21.217 1.00 60.12 H new ATOM 0 HA ALA A 4 0.474 0.422 -18.514 1.00 30.32 H new ATOM 0 HB1 ALA A 4 -0.906 2.471 -18.618 1.00 45.32 H new ATOM 0 HB2 ALA A 4 0.163 2.321 -20.033 1.00 45.32 H new ATOM 0 HB3 ALA A 4 -1.568 1.936 -20.181 1.00 45.32 H new ATOM 57 N ASP A 5 -2.490 -0.795 -19.071 1.00 11.11 N ATOM 58 CA ASP A 5 -3.653 -1.406 -18.438 1.00 64.11 C ATOM 59 C ASP A 5 -3.281 -2.733 -17.784 1.00 15.12 C ATOM 60 O ASP A 5 -2.444 -3.476 -18.296 1.00 74.12 O ATOM 61 CB ASP A 5 -4.763 -1.624 -19.468 1.00 73.20 C ATOM 62 CG ASP A 5 -4.338 -2.548 -20.592 1.00 22.32 C ATOM 63 OD1 ASP A 5 -4.473 -3.780 -20.432 1.00 51.15 O ATOM 64 OD2 ASP A 5 -3.869 -2.040 -21.631 1.00 42.42 O ATOM 0 H ASP A 5 -2.448 -0.917 -20.083 1.00 11.11 H new ATOM 0 HA ASP A 5 -4.013 -0.729 -17.664 1.00 64.11 H new ATOM 0 HB2 ASP A 5 -5.639 -2.041 -18.971 1.00 73.20 H new ATOM 0 HB3 ASP A 5 -5.061 -0.662 -19.886 1.00 73.20 H new ATOM 68 N ASP A 6 -3.908 -3.023 -16.649 1.00 14.42 N ATOM 69 CA ASP A 6 -3.643 -4.259 -15.923 1.00 0.42 C ATOM 70 C ASP A 6 -4.686 -5.321 -16.261 1.00 32.13 C ATOM 71 O ASP A 6 -5.470 -5.161 -17.197 1.00 34.34 O ATOM 72 CB ASP A 6 -3.630 -3.999 -14.416 1.00 50.55 C ATOM 73 CG ASP A 6 -5.005 -3.656 -13.877 1.00 42.30 C ATOM 74 OD1 ASP A 6 -5.875 -4.553 -13.854 1.00 11.32 O ATOM 75 OD2 ASP A 6 -5.212 -2.492 -13.477 1.00 15.22 O ATOM 0 H ASP A 6 -4.604 -2.418 -16.212 1.00 14.42 H new ATOM 0 HA ASP A 6 -2.663 -4.627 -16.227 1.00 0.42 H new ATOM 0 HB2 ASP A 6 -3.251 -4.882 -13.901 1.00 50.55 H new ATOM 0 HB3 ASP A 6 -2.943 -3.182 -14.197 1.00 50.55 H new ATOM 79 N THR A 7 -4.687 -6.406 -15.492 1.00 40.03 N ATOM 80 CA THR A 7 -5.632 -7.495 -15.710 1.00 23.04 C ATOM 81 C THR A 7 -7.062 -6.975 -15.793 1.00 13.21 C ATOM 82 O THR A 7 -7.542 -6.304 -14.879 1.00 1.40 O ATOM 83 CB THR A 7 -5.543 -8.547 -14.589 1.00 64.04 C ATOM 84 OG1 THR A 7 -4.898 -7.987 -13.441 1.00 23.43 O ATOM 85 CG2 THR A 7 -4.779 -9.776 -15.058 1.00 45.32 C ATOM 0 H THR A 7 -4.045 -6.554 -14.714 1.00 40.03 H new ATOM 0 HA THR A 7 -5.364 -7.961 -16.658 1.00 23.04 H new ATOM 0 HB THR A 7 -6.556 -8.849 -14.324 1.00 64.04 H new ATOM 0 HG1 THR A 7 -3.945 -8.215 -13.458 1.00 23.43 H new ATOM 0 HG21 THR A 7 -4.730 -10.504 -14.249 1.00 45.32 H new ATOM 0 HG22 THR A 7 -5.290 -10.218 -15.913 1.00 45.32 H new ATOM 0 HG23 THR A 7 -3.769 -9.488 -15.349 1.00 45.32 H new ATOM 93 N ALA A 8 -7.739 -7.288 -16.892 1.00 31.13 N ATOM 94 CA ALA A 8 -9.116 -6.855 -17.091 1.00 4.40 C ATOM 95 C ALA A 8 -9.201 -5.337 -17.214 1.00 1.13 C ATOM 96 O ALA A 8 -9.218 -4.793 -18.319 1.00 2.15 O ATOM 97 CB ALA A 8 -9.994 -7.344 -15.949 1.00 24.41 C ATOM 0 H ALA A 8 -7.356 -7.840 -17.659 1.00 31.13 H new ATOM 0 HA ALA A 8 -9.477 -7.290 -18.023 1.00 4.40 H new ATOM 0 HB1 ALA A 8 -11.020 -7.013 -16.111 1.00 24.41 H new ATOM 0 HB2 ALA A 8 -9.966 -8.433 -15.909 1.00 24.41 H new ATOM 0 HB3 ALA A 8 -9.626 -6.937 -15.007 1.00 24.41 H new ATOM 103 N LEU A 9 -9.255 -4.658 -16.073 1.00 61.23 N ATOM 104 CA LEU A 9 -9.340 -3.202 -16.053 1.00 20.41 C ATOM 105 C LEU A 9 -7.951 -2.576 -16.107 1.00 13.44 C ATOM 106 O LEU A 9 -6.941 -3.217 -15.811 1.00 55.53 O ATOM 107 CB LEU A 9 -10.075 -2.732 -14.796 1.00 2.50 C ATOM 108 CG LEU A 9 -11.514 -2.255 -15.000 1.00 72.21 C ATOM 109 CD1 LEU A 9 -12.436 -3.435 -15.264 1.00 22.31 C ATOM 110 CD2 LEU A 9 -11.990 -1.465 -13.790 1.00 31.23 C ATOM 0 H LEU A 9 -9.241 -5.092 -15.150 1.00 61.23 H new ATOM 0 HA LEU A 9 -9.897 -2.882 -16.933 1.00 20.41 H new ATOM 0 HB2 LEU A 9 -10.083 -3.551 -14.076 1.00 2.50 H new ATOM 0 HB3 LEU A 9 -9.504 -1.919 -14.348 1.00 2.50 H new ATOM 0 HG LEU A 9 -11.539 -1.599 -15.870 1.00 72.21 H new ATOM 0 HD11 LEU A 9 -13.455 -3.076 -15.407 1.00 22.31 H new ATOM 0 HD12 LEU A 9 -12.107 -3.960 -16.161 1.00 22.31 H new ATOM 0 HD13 LEU A 9 -12.407 -4.117 -14.414 1.00 22.31 H new ATOM 0 HD21 LEU A 9 -13.016 -1.133 -13.952 1.00 31.23 H new ATOM 0 HD22 LEU A 9 -11.949 -2.098 -12.903 1.00 31.23 H new ATOM 0 HD23 LEU A 9 -11.347 -0.597 -13.646 1.00 31.23 H new ATOM 121 N PRO A 10 -7.894 -1.292 -16.491 1.00 42.54 N ATOM 122 CA PRO A 10 -6.634 -0.549 -16.590 1.00 62.21 C ATOM 123 C PRO A 10 -6.017 -0.269 -15.224 1.00 50.24 C ATOM 124 O PRO A 10 -6.658 -0.467 -14.191 1.00 5.13 O ATOM 125 CB PRO A 10 -7.046 0.759 -17.269 1.00 25.05 C ATOM 126 CG PRO A 10 -8.487 0.924 -16.932 1.00 44.33 C ATOM 127 CD PRO A 10 -9.057 -0.466 -16.859 1.00 55.33 C ATOM 0 HA PRO A 10 -5.874 -1.107 -17.136 1.00 62.21 H new ATOM 0 HB2 PRO A 10 -6.455 1.598 -16.902 1.00 25.05 H new ATOM 0 HB3 PRO A 10 -6.895 0.710 -18.347 1.00 25.05 H new ATOM 0 HG2 PRO A 10 -8.609 1.446 -15.983 1.00 44.33 H new ATOM 0 HG3 PRO A 10 -9.000 1.517 -17.690 1.00 44.33 H new ATOM 0 HD2 PRO A 10 -9.851 -0.536 -16.116 1.00 55.33 H new ATOM 0 HD3 PRO A 10 -9.484 -0.776 -17.813 1.00 55.33 H new ATOM 132 N ALA A 11 -4.772 0.194 -15.226 1.00 73.12 N ATOM 133 CA ALA A 11 -4.070 0.504 -13.986 1.00 71.23 C ATOM 134 C ALA A 11 -3.690 1.980 -13.925 1.00 72.40 C ATOM 135 O ALA A 11 -2.757 2.361 -13.219 1.00 73.40 O ATOM 136 CB ALA A 11 -2.832 -0.369 -13.848 1.00 61.22 C ATOM 0 H ALA A 11 -4.228 0.363 -16.072 1.00 73.12 H new ATOM 0 HA ALA A 11 -4.742 0.295 -13.154 1.00 71.23 H new ATOM 0 HB1 ALA A 11 -2.318 -0.127 -12.918 1.00 61.22 H new ATOM 0 HB2 ALA A 11 -3.126 -1.418 -13.837 1.00 61.22 H new ATOM 0 HB3 ALA A 11 -2.164 -0.188 -14.690 1.00 61.22 H new ATOM 142 N ALA A 12 -4.418 2.805 -14.669 1.00 33.42 N ATOM 143 CA ALA A 12 -4.158 4.239 -14.698 1.00 32.52 C ATOM 144 C ALA A 12 -4.819 4.941 -13.517 1.00 30.22 C ATOM 145 O ALA A 12 -4.680 6.152 -13.344 1.00 33.12 O ATOM 146 CB ALA A 12 -4.643 4.837 -16.010 1.00 72.24 C ATOM 0 H ALA A 12 -5.193 2.505 -15.260 1.00 33.42 H new ATOM 0 HA ALA A 12 -3.081 4.390 -14.619 1.00 32.52 H new ATOM 0 HB1 ALA A 12 -4.442 5.908 -16.018 1.00 72.24 H new ATOM 0 HB2 ALA A 12 -4.120 4.364 -16.841 1.00 72.24 H new ATOM 0 HB3 ALA A 12 -5.715 4.668 -16.113 1.00 72.24 H new ATOM 152 N THR A 13 -5.541 4.173 -12.706 1.00 22.22 N ATOM 153 CA THR A 13 -6.225 4.722 -11.543 1.00 50.22 C ATOM 154 C THR A 13 -5.277 5.556 -10.689 1.00 2.04 C ATOM 155 O THR A 13 -5.626 6.647 -10.242 1.00 4.41 O ATOM 156 CB THR A 13 -6.836 3.607 -10.673 1.00 34.44 C ATOM 157 OG1 THR A 13 -7.387 4.166 -9.475 1.00 41.51 O ATOM 158 CG2 THR A 13 -5.787 2.565 -10.314 1.00 22.05 C ATOM 0 H THR A 13 -5.667 3.169 -12.834 1.00 22.22 H new ATOM 0 HA THR A 13 -7.025 5.359 -11.919 1.00 50.22 H new ATOM 0 HB THR A 13 -7.627 3.123 -11.246 1.00 34.44 H new ATOM 0 HG1 THR A 13 -8.036 3.541 -9.091 1.00 41.51 H new ATOM 0 HG21 THR A 13 -6.242 1.788 -9.700 1.00 22.05 H new ATOM 0 HG22 THR A 13 -5.389 2.120 -11.226 1.00 22.05 H new ATOM 0 HG23 THR A 13 -4.978 3.040 -9.759 1.00 22.05 H new ATOM 166 N GLY A 14 -4.074 5.035 -10.467 1.00 62.15 N ATOM 167 CA GLY A 14 -3.093 5.745 -9.668 1.00 61.04 C ATOM 168 C GLY A 14 -2.926 5.145 -8.286 1.00 63.42 C ATOM 169 O GLY A 14 -1.982 4.395 -8.039 1.00 22.31 O ATOM 0 H GLY A 14 -3.761 4.133 -10.827 1.00 62.15 H new ATOM 0 HA2 GLY A 14 -2.133 5.734 -10.184 1.00 61.04 H new ATOM 0 HA3 GLY A 14 -3.393 6.789 -9.574 1.00 61.04 H new ATOM 173 N ALA A 15 -3.844 5.474 -7.383 1.00 4.44 N ATOM 174 CA ALA A 15 -3.793 4.962 -6.020 1.00 73.13 C ATOM 175 C ALA A 15 -3.874 3.439 -6.003 1.00 74.12 C ATOM 176 O ALA A 15 -3.032 2.770 -5.402 1.00 22.40 O ATOM 177 CB ALA A 15 -4.917 5.562 -5.189 1.00 72.04 C ATOM 0 H ALA A 15 -4.632 6.093 -7.572 1.00 4.44 H new ATOM 0 HA ALA A 15 -2.838 5.254 -5.583 1.00 73.13 H new ATOM 0 HB1 ALA A 15 -4.867 5.171 -4.173 1.00 72.04 H new ATOM 0 HB2 ALA A 15 -4.813 6.647 -5.166 1.00 72.04 H new ATOM 0 HB3 ALA A 15 -5.877 5.299 -5.632 1.00 72.04 H new ATOM 183 N LEU A 16 -4.891 2.898 -6.664 1.00 75.11 N ATOM 184 CA LEU A 16 -5.082 1.453 -6.724 1.00 61.20 C ATOM 185 C LEU A 16 -3.854 0.765 -7.310 1.00 3.53 C ATOM 186 O LEU A 16 -3.433 -0.288 -6.834 1.00 71.24 O ATOM 187 CB LEU A 16 -6.318 1.117 -7.561 1.00 33.32 C ATOM 188 CG LEU A 16 -7.449 0.395 -6.827 1.00 40.11 C ATOM 189 CD1 LEU A 16 -7.056 -1.043 -6.524 1.00 53.15 C ATOM 190 CD2 LEU A 16 -7.809 1.132 -5.545 1.00 45.43 C ATOM 0 H LEU A 16 -5.596 3.438 -7.166 1.00 75.11 H new ATOM 0 HA LEU A 16 -5.229 1.088 -5.707 1.00 61.20 H new ATOM 0 HB2 LEU A 16 -6.714 2.044 -7.976 1.00 33.32 H new ATOM 0 HB3 LEU A 16 -6.005 0.499 -8.403 1.00 33.32 H new ATOM 0 HG LEU A 16 -8.326 0.382 -7.474 1.00 40.11 H new ATOM 0 HD11 LEU A 16 -7.873 -1.541 -6.002 1.00 53.15 H new ATOM 0 HD12 LEU A 16 -6.848 -1.568 -7.457 1.00 53.15 H new ATOM 0 HD13 LEU A 16 -6.165 -1.052 -5.896 1.00 53.15 H new ATOM 0 HD21 LEU A 16 -8.615 0.604 -5.036 1.00 45.43 H new ATOM 0 HD22 LEU A 16 -6.936 1.176 -4.893 1.00 45.43 H new ATOM 0 HD23 LEU A 16 -8.134 2.144 -5.786 1.00 45.43 H new ATOM 201 N GLU A 17 -3.281 1.371 -8.347 1.00 60.52 N ATOM 202 CA GLU A 17 -2.100 0.816 -8.997 1.00 41.41 C ATOM 203 C GLU A 17 -0.872 0.954 -8.103 1.00 2.45 C ATOM 204 O GLU A 17 0.012 0.096 -8.106 1.00 13.33 O ATOM 205 CB GLU A 17 -1.852 1.515 -10.336 1.00 34.50 C ATOM 206 CG GLU A 17 -0.538 2.276 -10.391 1.00 44.43 C ATOM 207 CD GLU A 17 0.662 1.358 -10.525 1.00 10.32 C ATOM 208 OE1 GLU A 17 0.459 0.145 -10.744 1.00 14.05 O ATOM 209 OE2 GLU A 17 1.803 1.853 -10.412 1.00 41.50 O ATOM 0 H GLU A 17 -3.616 2.245 -8.753 1.00 60.52 H new ATOM 0 HA GLU A 17 -2.279 -0.244 -9.177 1.00 41.41 H new ATOM 0 HB2 GLU A 17 -1.865 0.771 -11.133 1.00 34.50 H new ATOM 0 HB3 GLU A 17 -2.671 2.207 -10.532 1.00 34.50 H new ATOM 0 HG2 GLU A 17 -0.558 2.967 -11.233 1.00 44.43 H new ATOM 0 HG3 GLU A 17 -0.432 2.877 -9.488 1.00 44.43 H new ATOM 214 N LEU A 18 -0.822 2.041 -7.340 1.00 44.22 N ATOM 215 CA LEU A 18 0.298 2.294 -6.441 1.00 70.31 C ATOM 216 C LEU A 18 0.426 1.184 -5.403 1.00 61.04 C ATOM 217 O LEU A 18 1.487 0.580 -5.251 1.00 23.33 O ATOM 218 CB LEU A 18 0.122 3.644 -5.742 1.00 23.40 C ATOM 219 CG LEU A 18 1.410 4.368 -5.348 1.00 62.03 C ATOM 220 CD1 LEU A 18 1.193 5.873 -5.339 1.00 52.33 C ATOM 221 CD2 LEU A 18 1.896 3.890 -3.988 1.00 71.35 C ATOM 0 H LEU A 18 -1.544 2.761 -7.326 1.00 44.22 H new ATOM 0 HA LEU A 18 1.211 2.316 -7.036 1.00 70.31 H new ATOM 0 HB2 LEU A 18 -0.453 4.298 -6.398 1.00 23.40 H new ATOM 0 HB3 LEU A 18 -0.474 3.490 -4.843 1.00 23.40 H new ATOM 0 HG LEU A 18 2.176 4.135 -6.087 1.00 62.03 H new ATOM 0 HD11 LEU A 18 2.120 6.373 -5.056 1.00 52.33 H new ATOM 0 HD12 LEU A 18 0.891 6.203 -6.333 1.00 52.33 H new ATOM 0 HD13 LEU A 18 0.412 6.124 -4.621 1.00 52.33 H new ATOM 0 HD21 LEU A 18 2.813 4.416 -3.724 1.00 71.35 H new ATOM 0 HD22 LEU A 18 1.133 4.093 -3.237 1.00 71.35 H new ATOM 0 HD23 LEU A 18 2.091 2.818 -4.027 1.00 71.35 H new ATOM 232 N VAL A 19 -0.666 0.917 -4.692 1.00 0.04 N ATOM 233 CA VAL A 19 -0.678 -0.123 -3.672 1.00 54.03 C ATOM 234 C VAL A 19 -0.479 -1.502 -4.290 1.00 33.22 C ATOM 235 O VAL A 19 0.385 -2.268 -3.860 1.00 13.31 O ATOM 236 CB VAL A 19 -1.998 -0.115 -2.877 1.00 55.32 C ATOM 237 CG1 VAL A 19 -2.228 -1.462 -2.208 1.00 15.13 C ATOM 238 CG2 VAL A 19 -1.993 1.007 -1.850 1.00 74.34 C ATOM 0 H VAL A 19 -1.553 1.407 -4.805 1.00 0.04 H new ATOM 0 HA VAL A 19 0.148 0.091 -2.993 1.00 54.03 H new ATOM 0 HB VAL A 19 -2.819 0.062 -3.571 1.00 55.32 H new ATOM 0 HG11 VAL A 19 -3.165 -1.437 -1.651 1.00 15.13 H new ATOM 0 HG12 VAL A 19 -2.278 -2.242 -2.968 1.00 15.13 H new ATOM 0 HG13 VAL A 19 -1.406 -1.674 -1.525 1.00 15.13 H new ATOM 0 HG21 VAL A 19 -2.932 0.999 -1.297 1.00 74.34 H new ATOM 0 HG22 VAL A 19 -1.163 0.863 -1.158 1.00 74.34 H new ATOM 0 HG23 VAL A 19 -1.880 1.965 -2.358 1.00 74.34 H new ATOM 248 N ARG A 20 -1.282 -1.814 -5.301 1.00 52.30 N ATOM 249 CA ARG A 20 -1.194 -3.101 -5.979 1.00 71.14 C ATOM 250 C ARG A 20 0.219 -3.347 -6.498 1.00 32.41 C ATOM 251 O ARG A 20 0.722 -4.470 -6.450 1.00 32.45 O ATOM 252 CB ARG A 20 -2.192 -3.161 -7.137 1.00 21.22 C ATOM 253 CG ARG A 20 -3.567 -3.666 -6.732 1.00 73.01 C ATOM 254 CD ARG A 20 -4.640 -3.204 -7.706 1.00 13.11 C ATOM 255 NE ARG A 20 -4.543 -3.888 -8.993 1.00 35.31 N ATOM 256 CZ ARG A 20 -5.543 -3.961 -9.862 1.00 64.14 C ATOM 257 NH1 ARG A 20 -6.710 -3.396 -9.585 1.00 45.31 N ATOM 258 NH2 ARG A 20 -5.378 -4.602 -11.013 1.00 14.32 N ATOM 0 H ARG A 20 -2.002 -1.192 -5.669 1.00 52.30 H new ATOM 0 HA ARG A 20 -1.438 -3.881 -5.257 1.00 71.14 H new ATOM 0 HB2 ARG A 20 -2.293 -2.166 -7.570 1.00 21.22 H new ATOM 0 HB3 ARG A 20 -1.792 -3.809 -7.917 1.00 21.22 H new ATOM 0 HG2 ARG A 20 -3.558 -4.755 -6.689 1.00 73.01 H new ATOM 0 HG3 ARG A 20 -3.806 -3.310 -5.730 1.00 73.01 H new ATOM 0 HD2 ARG A 20 -5.624 -3.384 -7.273 1.00 13.11 H new ATOM 0 HD3 ARG A 20 -4.551 -2.129 -7.860 1.00 13.11 H new ATOM 0 HE ARG A 20 -3.659 -4.334 -9.237 1.00 35.31 H new ATOM 0 HH11 ARG A 20 -6.841 -2.903 -8.702 1.00 45.31 H new ATOM 0 HH12 ARG A 20 -7.477 -3.454 -10.255 1.00 45.31 H new ATOM 0 HH21 ARG A 20 -4.482 -5.039 -11.230 1.00 14.32 H new ATOM 0 HH22 ARG A 20 -6.147 -4.658 -11.681 1.00 14.32 H new ATOM 269 N HIS A 21 0.855 -2.290 -6.994 1.00 72.44 N ATOM 270 CA HIS A 21 2.210 -2.392 -7.521 1.00 21.05 C ATOM 271 C HIS A 21 3.201 -2.733 -6.412 1.00 34.43 C ATOM 272 O HIS A 21 3.884 -3.757 -6.468 1.00 33.00 O ATOM 273 CB HIS A 21 2.617 -1.083 -8.197 1.00 44.33 C ATOM 274 CG HIS A 21 3.943 -1.152 -8.890 1.00 55.43 C ATOM 275 ND1 HIS A 21 4.459 -2.318 -9.414 1.00 74.33 N ATOM 276 CD2 HIS A 21 4.861 -0.190 -9.144 1.00 54.54 C ATOM 277 CE1 HIS A 21 5.636 -2.071 -9.958 1.00 31.12 C ATOM 278 NE2 HIS A 21 5.903 -0.786 -9.809 1.00 72.44 N ATOM 0 H HIS A 21 0.453 -1.354 -7.042 1.00 72.44 H new ATOM 0 HA HIS A 21 2.226 -3.194 -8.259 1.00 21.05 H new ATOM 0 HB2 HIS A 21 1.852 -0.805 -8.922 1.00 44.33 H new ATOM 0 HB3 HIS A 21 2.649 -0.292 -7.448 1.00 44.33 H new ATOM 0 HD2 HIS A 21 4.787 0.853 -8.873 1.00 54.54 H new ATOM 0 HE1 HIS A 21 6.273 -2.796 -10.443 1.00 31.12 H new ATOM 0 HE2 HIS A 21 6.746 -0.314 -10.135 1.00 72.44 H new ATOM 285 N LEU A 22 3.274 -1.870 -5.405 1.00 14.35 N ATOM 286 CA LEU A 22 4.182 -2.078 -4.282 1.00 61.23 C ATOM 287 C LEU A 22 3.913 -3.420 -3.607 1.00 62.11 C ATOM 288 O LEU A 22 4.838 -4.097 -3.157 1.00 44.04 O ATOM 289 CB LEU A 22 4.037 -0.945 -3.266 1.00 15.11 C ATOM 290 CG LEU A 22 4.315 0.465 -3.788 1.00 43.41 C ATOM 291 CD1 LEU A 22 4.012 1.501 -2.717 1.00 51.14 C ATOM 292 CD2 LEU A 22 5.757 0.586 -4.257 1.00 64.31 C ATOM 0 H LEU A 22 2.715 -1.019 -5.343 1.00 14.35 H new ATOM 0 HA LEU A 22 5.202 -2.083 -4.667 1.00 61.23 H new ATOM 0 HB2 LEU A 22 3.023 -0.970 -2.867 1.00 15.11 H new ATOM 0 HB3 LEU A 22 4.712 -1.142 -2.433 1.00 15.11 H new ATOM 0 HG LEU A 22 3.660 0.651 -4.639 1.00 43.41 H new ATOM 0 HD11 LEU A 22 4.216 2.498 -3.107 1.00 51.14 H new ATOM 0 HD12 LEU A 22 2.963 1.431 -2.430 1.00 51.14 H new ATOM 0 HD13 LEU A 22 4.640 1.317 -1.845 1.00 51.14 H new ATOM 0 HD21 LEU A 22 5.936 1.596 -4.625 1.00 64.31 H new ATOM 0 HD22 LEU A 22 6.429 0.379 -3.424 1.00 64.31 H new ATOM 0 HD23 LEU A 22 5.940 -0.130 -5.058 1.00 64.31 H new ATOM 303 N VAL A 23 2.641 -3.799 -3.540 1.00 42.54 N ATOM 304 CA VAL A 23 2.250 -5.061 -2.924 1.00 11.22 C ATOM 305 C VAL A 23 2.658 -6.246 -3.792 1.00 74.41 C ATOM 306 O VAL A 23 3.256 -7.206 -3.307 1.00 61.23 O ATOM 307 CB VAL A 23 0.731 -5.118 -2.677 1.00 11.11 C ATOM 308 CG1 VAL A 23 0.211 -6.534 -2.871 1.00 33.00 C ATOM 309 CG2 VAL A 23 0.398 -4.605 -1.283 1.00 24.13 C ATOM 0 H VAL A 23 1.863 -3.249 -3.905 1.00 42.54 H new ATOM 0 HA VAL A 23 2.768 -5.120 -1.967 1.00 11.22 H new ATOM 0 HB VAL A 23 0.238 -4.473 -3.404 1.00 11.11 H new ATOM 0 HG11 VAL A 23 -0.864 -6.555 -2.692 1.00 33.00 H new ATOM 0 HG12 VAL A 23 0.416 -6.860 -3.891 1.00 33.00 H new ATOM 0 HG13 VAL A 23 0.708 -7.204 -2.169 1.00 33.00 H new ATOM 0 HG21 VAL A 23 -0.680 -4.652 -1.126 1.00 24.13 H new ATOM 0 HG22 VAL A 23 0.901 -5.222 -0.538 1.00 24.13 H new ATOM 0 HG23 VAL A 23 0.734 -3.573 -1.185 1.00 24.13 H new ATOM 319 N ALA A 24 2.330 -6.172 -5.077 1.00 4.20 N ATOM 320 CA ALA A 24 2.664 -7.237 -6.013 1.00 44.22 C ATOM 321 C ALA A 24 4.173 -7.442 -6.097 1.00 54.14 C ATOM 322 O ALA A 24 4.658 -8.572 -6.044 1.00 11.40 O ATOM 323 CB ALA A 24 2.094 -6.928 -7.391 1.00 13.21 C ATOM 0 H ALA A 24 1.833 -5.385 -5.494 1.00 4.20 H new ATOM 0 HA ALA A 24 2.218 -8.161 -5.646 1.00 44.22 H new ATOM 0 HB1 ALA A 24 2.351 -7.732 -8.080 1.00 13.21 H new ATOM 0 HB2 ALA A 24 1.010 -6.840 -7.325 1.00 13.21 H new ATOM 0 HB3 ALA A 24 2.512 -5.990 -7.756 1.00 13.21 H new ATOM 329 N GLU A 25 4.909 -6.343 -6.227 1.00 54.35 N ATOM 330 CA GLU A 25 6.362 -6.404 -6.319 1.00 14.23 C ATOM 331 C GLU A 25 6.966 -6.951 -5.029 1.00 23.23 C ATOM 332 O GLU A 25 8.061 -7.516 -5.035 1.00 71.13 O ATOM 333 CB GLU A 25 6.935 -5.016 -6.614 1.00 45.00 C ATOM 334 CG GLU A 25 6.439 -4.418 -7.920 1.00 34.14 C ATOM 335 CD GLU A 25 7.521 -4.355 -8.981 1.00 14.14 C ATOM 336 OE1 GLU A 25 8.555 -3.697 -8.736 1.00 63.03 O ATOM 337 OE2 GLU A 25 7.334 -4.964 -10.055 1.00 24.23 O ATOM 0 H GLU A 25 4.523 -5.400 -6.271 1.00 54.35 H new ATOM 0 HA GLU A 25 6.621 -7.078 -7.136 1.00 14.23 H new ATOM 0 HB2 GLU A 25 6.677 -4.344 -5.795 1.00 45.00 H new ATOM 0 HB3 GLU A 25 8.023 -5.080 -6.643 1.00 45.00 H new ATOM 0 HG2 GLU A 25 5.604 -5.011 -8.293 1.00 34.14 H new ATOM 0 HG3 GLU A 25 6.059 -3.414 -7.734 1.00 34.14 H new ATOM 342 N ARG A 26 6.245 -6.781 -3.926 1.00 34.14 N ATOM 343 CA ARG A 26 6.711 -7.255 -2.628 1.00 61.52 C ATOM 344 C ARG A 26 6.492 -8.759 -2.490 1.00 73.55 C ATOM 345 O ARG A 26 7.226 -9.440 -1.776 1.00 20.42 O ATOM 346 CB ARG A 26 5.985 -6.518 -1.502 1.00 35.25 C ATOM 347 CG ARG A 26 6.614 -5.181 -1.146 1.00 11.32 C ATOM 348 CD ARG A 26 7.549 -5.304 0.048 1.00 45.14 C ATOM 349 NE ARG A 26 8.885 -5.740 -0.347 1.00 0.33 N ATOM 350 CZ ARG A 26 9.785 -4.938 -0.905 1.00 12.23 C ATOM 351 NH1 ARG A 26 9.493 -3.664 -1.132 1.00 73.20 N ATOM 352 NH2 ARG A 26 10.981 -5.408 -1.235 1.00 44.12 N ATOM 0 H ARG A 26 5.336 -6.319 -3.905 1.00 34.14 H new ATOM 0 HA ARG A 26 7.779 -7.052 -2.556 1.00 61.52 H new ATOM 0 HB2 ARG A 26 4.948 -6.356 -1.795 1.00 35.25 H new ATOM 0 HB3 ARG A 26 5.970 -7.151 -0.615 1.00 35.25 H new ATOM 0 HG2 ARG A 26 7.167 -4.798 -2.004 1.00 11.32 H new ATOM 0 HG3 ARG A 26 5.830 -4.457 -0.923 1.00 11.32 H new ATOM 0 HD2 ARG A 26 7.617 -4.342 0.556 1.00 45.14 H new ATOM 0 HD3 ARG A 26 7.133 -6.013 0.763 1.00 45.14 H new ATOM 0 HE ARG A 26 9.142 -6.714 -0.186 1.00 0.33 H new ATOM 0 HH11 ARG A 26 8.575 -3.298 -0.878 1.00 73.20 H new ATOM 0 HH12 ARG A 26 10.186 -3.050 -1.561 1.00 73.20 H new ATOM 0 HH21 ARG A 26 11.210 -6.386 -1.060 1.00 44.12 H new ATOM 0 HH22 ARG A 26 11.671 -4.791 -1.663 1.00 44.12 H new ATOM 363 N ALA A 27 5.475 -9.270 -3.177 1.00 13.30 N ATOM 364 CA ALA A 27 5.159 -10.693 -3.132 1.00 3.32 C ATOM 365 C ALA A 27 5.935 -11.460 -4.198 1.00 72.14 C ATOM 366 O ALA A 27 5.682 -12.642 -4.429 1.00 72.41 O ATOM 367 CB ALA A 27 3.664 -10.907 -3.306 1.00 44.54 C ATOM 0 H ALA A 27 4.856 -8.719 -3.772 1.00 13.30 H new ATOM 0 HA ALA A 27 5.457 -11.077 -2.156 1.00 3.32 H new ATOM 0 HB1 ALA A 27 3.443 -11.974 -3.270 1.00 44.54 H new ATOM 0 HB2 ALA A 27 3.128 -10.398 -2.505 1.00 44.54 H new ATOM 0 HB3 ALA A 27 3.348 -10.503 -4.268 1.00 44.54 H new ATOM 373 N GLU A 28 6.878 -10.780 -4.842 1.00 62.34 N ATOM 374 CA GLU A 28 7.688 -11.400 -5.884 1.00 63.23 C ATOM 375 C GLU A 28 6.824 -11.806 -7.075 1.00 23.11 C ATOM 376 O GLU A 28 6.960 -12.908 -7.608 1.00 23.54 O ATOM 377 CB GLU A 28 8.421 -12.624 -5.331 1.00 2.23 C ATOM 378 CG GLU A 28 9.644 -13.018 -6.142 1.00 55.21 C ATOM 379 CD GLU A 28 10.882 -12.237 -5.745 1.00 5.11 C ATOM 380 OE1 GLU A 28 10.973 -11.822 -4.571 1.00 43.43 O ATOM 381 OE2 GLU A 28 11.761 -12.042 -6.611 1.00 11.23 O ATOM 0 H GLU A 28 7.100 -9.801 -4.661 1.00 62.34 H new ATOM 0 HA GLU A 28 8.422 -10.668 -6.222 1.00 63.23 H new ATOM 0 HB2 GLU A 28 8.726 -12.421 -4.304 1.00 2.23 H new ATOM 0 HB3 GLU A 28 7.730 -13.467 -5.298 1.00 2.23 H new ATOM 0 HG2 GLU A 28 9.834 -14.084 -6.012 1.00 55.21 H new ATOM 0 HG3 GLU A 28 9.441 -12.857 -7.201 1.00 55.21 H new ATOM 386 N LEU A 29 5.935 -10.910 -7.487 1.00 42.11 N ATOM 387 CA LEU A 29 5.047 -11.174 -8.615 1.00 14.32 C ATOM 388 C LEU A 29 4.733 -9.888 -9.373 1.00 53.21 C ATOM 389 O LEU A 29 4.874 -8.781 -8.852 1.00 45.30 O ATOM 390 CB LEU A 29 3.751 -11.822 -8.128 1.00 54.14 C ATOM 391 CG LEU A 29 3.191 -11.293 -6.806 1.00 11.31 C ATOM 392 CD1 LEU A 29 2.039 -10.333 -7.061 1.00 0.35 C ATOM 393 CD2 LEU A 29 2.741 -12.444 -5.920 1.00 74.42 C ATOM 0 H LEU A 29 5.809 -9.994 -7.057 1.00 42.11 H new ATOM 0 HA LEU A 29 5.555 -11.859 -9.294 1.00 14.32 H new ATOM 0 HB2 LEU A 29 2.991 -11.692 -8.899 1.00 54.14 H new ATOM 0 HB3 LEU A 29 3.921 -12.894 -8.025 1.00 54.14 H new ATOM 0 HG LEU A 29 3.982 -10.750 -6.289 1.00 11.31 H new ATOM 0 HD11 LEU A 29 1.653 -9.967 -6.110 1.00 0.35 H new ATOM 0 HD12 LEU A 29 2.392 -9.492 -7.658 1.00 0.35 H new ATOM 0 HD13 LEU A 29 1.245 -10.852 -7.599 1.00 0.35 H new ATOM 0 HD21 LEU A 29 2.346 -12.050 -4.984 1.00 74.42 H new ATOM 0 HD22 LEU A 29 1.965 -13.014 -6.430 1.00 74.42 H new ATOM 0 HD23 LEU A 29 3.590 -13.095 -5.710 1.00 74.42 H new ATOM 404 N PRO A 30 4.296 -10.035 -10.632 1.00 73.13 N ATOM 405 CA PRO A 30 3.949 -8.896 -11.488 1.00 21.43 C ATOM 406 C PRO A 30 2.681 -8.188 -11.026 1.00 75.32 C ATOM 407 O PRO A 30 1.738 -8.825 -10.555 1.00 63.43 O ATOM 408 CB PRO A 30 3.734 -9.538 -12.861 1.00 42.13 C ATOM 409 CG PRO A 30 3.355 -10.948 -12.565 1.00 44.33 C ATOM 410 CD PRO A 30 4.104 -11.324 -11.317 1.00 20.41 C ATOM 0 HA PRO A 30 4.722 -8.128 -11.477 1.00 21.43 H new ATOM 0 HB2 PRO A 30 2.950 -9.026 -13.419 1.00 42.13 H new ATOM 0 HB3 PRO A 30 4.639 -9.490 -13.466 1.00 42.13 H new ATOM 0 HG2 PRO A 30 2.279 -11.040 -12.417 1.00 44.33 H new ATOM 0 HG3 PRO A 30 3.621 -11.606 -13.393 1.00 44.33 H new ATOM 0 HD2 PRO A 30 3.537 -12.024 -10.704 1.00 20.41 H new ATOM 0 HD3 PRO A 30 5.056 -11.802 -11.548 1.00 20.41 H new ATOM 415 N VAL A 31 2.663 -6.866 -11.163 1.00 42.05 N ATOM 416 CA VAL A 31 1.509 -6.071 -10.761 1.00 72.32 C ATOM 417 C VAL A 31 0.315 -6.335 -11.672 1.00 32.32 C ATOM 418 O VAL A 31 -0.808 -5.932 -11.371 1.00 52.05 O ATOM 419 CB VAL A 31 1.830 -4.566 -10.778 1.00 1.33 C ATOM 420 CG1 VAL A 31 2.200 -4.115 -12.183 1.00 41.51 C ATOM 421 CG2 VAL A 31 0.654 -3.763 -10.243 1.00 11.25 C ATOM 0 H VAL A 31 3.435 -6.323 -11.550 1.00 42.05 H new ATOM 0 HA VAL A 31 1.259 -6.370 -9.743 1.00 72.32 H new ATOM 0 HB VAL A 31 2.686 -4.388 -10.128 1.00 1.33 H new ATOM 0 HG11 VAL A 31 2.424 -3.048 -12.176 1.00 41.51 H new ATOM 0 HG12 VAL A 31 3.076 -4.667 -12.524 1.00 41.51 H new ATOM 0 HG13 VAL A 31 1.366 -4.306 -12.858 1.00 41.51 H new ATOM 0 HG21 VAL A 31 0.899 -2.701 -10.263 1.00 11.25 H new ATOM 0 HG22 VAL A 31 -0.223 -3.944 -10.864 1.00 11.25 H new ATOM 0 HG23 VAL A 31 0.442 -4.067 -9.218 1.00 11.25 H new ATOM 431 N GLU A 32 0.567 -7.016 -12.785 1.00 50.13 N ATOM 432 CA GLU A 32 -0.488 -7.334 -13.741 1.00 53.15 C ATOM 433 C GLU A 32 -1.276 -8.562 -13.294 1.00 32.35 C ATOM 434 O GLU A 32 -2.411 -8.775 -13.720 1.00 23.24 O ATOM 435 CB GLU A 32 0.107 -7.573 -15.130 1.00 73.55 C ATOM 436 CG GLU A 32 0.797 -8.919 -15.273 1.00 71.21 C ATOM 437 CD GLU A 32 0.095 -9.833 -16.259 1.00 24.02 C ATOM 438 OE1 GLU A 32 0.248 -9.616 -17.480 1.00 74.20 O ATOM 439 OE2 GLU A 32 -0.606 -10.764 -15.812 1.00 55.10 O ATOM 0 H GLU A 32 1.491 -7.358 -13.047 1.00 50.13 H new ATOM 0 HA GLU A 32 -1.169 -6.484 -13.787 1.00 53.15 H new ATOM 0 HB2 GLU A 32 -0.687 -7.500 -15.873 1.00 73.55 H new ATOM 0 HB3 GLU A 32 0.823 -6.782 -15.350 1.00 73.55 H new ATOM 0 HG2 GLU A 32 1.826 -8.763 -15.597 1.00 71.21 H new ATOM 0 HG3 GLU A 32 0.840 -9.406 -14.299 1.00 71.21 H new ATOM 444 N VAL A 33 -0.664 -9.368 -12.431 1.00 74.14 N ATOM 445 CA VAL A 33 -1.306 -10.575 -11.925 1.00 43.23 C ATOM 446 C VAL A 33 -1.861 -10.355 -10.522 1.00 44.13 C ATOM 447 O VAL A 33 -2.493 -11.242 -9.947 1.00 33.25 O ATOM 448 CB VAL A 33 -0.326 -11.763 -11.898 1.00 53.44 C ATOM 449 CG1 VAL A 33 0.532 -11.718 -10.643 1.00 21.43 C ATOM 450 CG2 VAL A 33 -1.083 -13.079 -11.988 1.00 20.11 C ATOM 0 H VAL A 33 0.275 -9.206 -12.068 1.00 74.14 H new ATOM 0 HA VAL A 33 -2.126 -10.806 -12.605 1.00 43.23 H new ATOM 0 HB VAL A 33 0.333 -11.689 -12.763 1.00 53.44 H new ATOM 0 HG11 VAL A 33 1.218 -12.565 -10.641 1.00 21.43 H new ATOM 0 HG12 VAL A 33 1.102 -10.789 -10.625 1.00 21.43 H new ATOM 0 HG13 VAL A 33 -0.108 -11.768 -9.762 1.00 21.43 H new ATOM 0 HG21 VAL A 33 -0.375 -13.908 -11.968 1.00 20.11 H new ATOM 0 HG22 VAL A 33 -1.766 -13.164 -11.143 1.00 20.11 H new ATOM 0 HG23 VAL A 33 -1.651 -13.109 -12.918 1.00 20.11 H new ATOM 460 N LEU A 34 -1.622 -9.168 -9.977 1.00 32.23 N ATOM 461 CA LEU A 34 -2.098 -8.830 -8.640 1.00 31.10 C ATOM 462 C LEU A 34 -3.618 -8.701 -8.619 1.00 25.23 C ATOM 463 O LEU A 34 -4.187 -7.849 -9.300 1.00 1.21 O ATOM 464 CB LEU A 34 -1.458 -7.525 -8.164 1.00 20.11 C ATOM 465 CG LEU A 34 -1.328 -7.354 -6.650 1.00 55.21 C ATOM 466 CD1 LEU A 34 -2.690 -7.097 -6.022 1.00 22.15 C ATOM 467 CD2 LEU A 34 -0.675 -8.581 -6.028 1.00 1.30 C ATOM 0 H LEU A 34 -1.101 -8.423 -10.440 1.00 32.23 H new ATOM 0 HA LEU A 34 -1.811 -9.636 -7.965 1.00 31.10 H new ATOM 0 HB2 LEU A 34 -0.464 -7.449 -8.605 1.00 20.11 H new ATOM 0 HB3 LEU A 34 -2.044 -6.693 -8.554 1.00 20.11 H new ATOM 0 HG LEU A 34 -0.692 -6.490 -6.455 1.00 55.21 H new ATOM 0 HD11 LEU A 34 -2.577 -6.978 -4.944 1.00 22.15 H new ATOM 0 HD12 LEU A 34 -3.120 -6.189 -6.444 1.00 22.15 H new ATOM 0 HD13 LEU A 34 -3.350 -7.940 -6.227 1.00 22.15 H new ATOM 0 HD21 LEU A 34 -0.591 -8.441 -4.950 1.00 1.30 H new ATOM 0 HD22 LEU A 34 -1.285 -9.461 -6.233 1.00 1.30 H new ATOM 0 HD23 LEU A 34 0.318 -8.720 -6.455 1.00 1.30 H new ATOM 478 N ARG A 35 -4.268 -9.553 -7.833 1.00 22.31 N ATOM 479 CA ARG A 35 -5.721 -9.534 -7.723 1.00 50.22 C ATOM 480 C ARG A 35 -6.169 -8.623 -6.584 1.00 33.35 C ATOM 481 O ARG A 35 -5.407 -8.356 -5.653 1.00 3.13 O ATOM 482 CB ARG A 35 -6.255 -10.950 -7.498 1.00 75.32 C ATOM 483 CG ARG A 35 -5.550 -12.007 -8.332 1.00 60.03 C ATOM 484 CD ARG A 35 -6.462 -13.191 -8.617 1.00 42.41 C ATOM 485 NE ARG A 35 -7.447 -12.886 -9.651 1.00 71.53 N ATOM 486 CZ ARG A 35 -7.157 -12.819 -10.946 1.00 51.53 C ATOM 487 NH1 ARG A 35 -5.917 -13.034 -11.362 1.00 1.41 N ATOM 488 NH2 ARG A 35 -8.109 -12.536 -11.826 1.00 24.00 N ATOM 0 H ARG A 35 -3.811 -10.265 -7.263 1.00 22.31 H new ATOM 0 HA ARG A 35 -6.126 -9.144 -8.657 1.00 50.22 H new ATOM 0 HB2 ARG A 35 -6.153 -11.204 -6.443 1.00 75.32 H new ATOM 0 HB3 ARG A 35 -7.320 -10.968 -7.729 1.00 75.32 H new ATOM 0 HG2 ARG A 35 -5.217 -11.568 -9.272 1.00 60.03 H new ATOM 0 HG3 ARG A 35 -4.658 -12.351 -7.808 1.00 60.03 H new ATOM 0 HD2 ARG A 35 -5.861 -14.045 -8.930 1.00 42.41 H new ATOM 0 HD3 ARG A 35 -6.976 -13.481 -7.701 1.00 42.41 H new ATOM 0 HE ARG A 35 -8.411 -12.715 -9.363 1.00 71.53 H new ATOM 0 HH11 ARG A 35 -5.183 -13.251 -10.688 1.00 1.41 H new ATOM 0 HH12 ARG A 35 -5.697 -12.982 -12.357 1.00 1.41 H new ATOM 0 HH21 ARG A 35 -9.064 -12.370 -11.508 1.00 24.00 H new ATOM 0 HH22 ARG A 35 -7.886 -12.485 -12.820 1.00 24.00 H new ATOM 499 N ASP A 36 -7.407 -8.149 -6.663 1.00 43.13 N ATOM 500 CA ASP A 36 -7.956 -7.269 -5.639 1.00 41.35 C ATOM 501 C ASP A 36 -8.317 -8.055 -4.383 1.00 73.41 C ATOM 502 O ASP A 36 -8.541 -7.477 -3.319 1.00 33.31 O ATOM 503 CB ASP A 36 -9.190 -6.540 -6.171 1.00 42.51 C ATOM 504 CG ASP A 36 -8.979 -5.986 -7.567 1.00 22.22 C ATOM 505 OD1 ASP A 36 -9.035 -6.775 -8.533 1.00 54.22 O ATOM 506 OD2 ASP A 36 -8.756 -4.763 -7.693 1.00 23.42 O ATOM 0 H ASP A 36 -8.050 -8.360 -7.426 1.00 43.13 H new ATOM 0 HA ASP A 36 -7.193 -6.535 -5.380 1.00 41.35 H new ATOM 0 HB2 ASP A 36 -10.038 -7.225 -6.180 1.00 42.51 H new ATOM 0 HB3 ASP A 36 -9.446 -5.725 -5.495 1.00 42.51 H new ATOM 510 N ASP A 37 -8.372 -9.376 -4.513 1.00 54.53 N ATOM 511 CA ASP A 37 -8.707 -10.242 -3.388 1.00 4.04 C ATOM 512 C ASP A 37 -7.445 -10.804 -2.742 1.00 23.01 C ATOM 513 O ASP A 37 -7.507 -11.459 -1.701 1.00 14.13 O ATOM 514 CB ASP A 37 -9.612 -11.386 -3.849 1.00 64.50 C ATOM 515 CG ASP A 37 -10.900 -10.889 -4.476 1.00 35.10 C ATOM 516 OD1 ASP A 37 -11.595 -10.073 -3.836 1.00 13.33 O ATOM 517 OD2 ASP A 37 -11.212 -11.316 -5.607 1.00 3.41 O ATOM 0 H ASP A 37 -8.189 -9.871 -5.386 1.00 54.53 H new ATOM 0 HA ASP A 37 -9.239 -9.645 -2.647 1.00 4.04 H new ATOM 0 HB2 ASP A 37 -9.075 -12.002 -4.570 1.00 64.50 H new ATOM 0 HB3 ASP A 37 -9.848 -12.024 -2.997 1.00 64.50 H new ATOM 521 N SER A 38 -6.300 -10.546 -3.366 1.00 45.42 N ATOM 522 CA SER A 38 -5.024 -11.030 -2.855 1.00 64.21 C ATOM 523 C SER A 38 -4.726 -10.431 -1.484 1.00 24.04 C ATOM 524 O SER A 38 -4.412 -9.247 -1.367 1.00 5.24 O ATOM 525 CB SER A 38 -3.896 -10.687 -3.830 1.00 1.25 C ATOM 526 OG SER A 38 -4.382 -10.591 -5.158 1.00 21.11 O ATOM 0 H SER A 38 -6.231 -10.004 -4.227 1.00 45.42 H new ATOM 0 HA SER A 38 -5.089 -12.113 -2.753 1.00 64.21 H new ATOM 0 HB2 SER A 38 -3.434 -9.744 -3.539 1.00 1.25 H new ATOM 0 HB3 SER A 38 -3.121 -11.451 -3.777 1.00 1.25 H new ATOM 0 HG SER A 38 -4.414 -9.649 -5.427 1.00 21.11 H new ATOM 531 N ARG A 39 -4.827 -11.259 -0.449 1.00 5.13 N ATOM 532 CA ARG A 39 -4.570 -10.812 0.915 1.00 24.13 C ATOM 533 C ARG A 39 -3.075 -10.613 1.149 1.00 23.21 C ATOM 534 O ARG A 39 -2.245 -11.121 0.395 1.00 23.23 O ATOM 535 CB ARG A 39 -5.124 -11.824 1.919 1.00 40.22 C ATOM 536 CG ARG A 39 -6.488 -12.377 1.537 1.00 4.03 C ATOM 537 CD ARG A 39 -7.350 -12.630 2.762 1.00 54.21 C ATOM 538 NE ARG A 39 -8.120 -11.450 3.144 1.00 1.40 N ATOM 539 CZ ARG A 39 -9.215 -11.496 3.894 1.00 61.32 C ATOM 540 NH1 ARG A 39 -9.666 -12.661 4.342 1.00 54.31 N ATOM 541 NH2 ARG A 39 -9.861 -10.378 4.198 1.00 11.20 N ATOM 0 H ARG A 39 -5.085 -12.243 -0.529 1.00 5.13 H new ATOM 0 HA ARG A 39 -5.073 -9.856 1.058 1.00 24.13 H new ATOM 0 HB2 ARG A 39 -4.420 -12.651 2.015 1.00 40.22 H new ATOM 0 HB3 ARG A 39 -5.195 -11.350 2.898 1.00 40.22 H new ATOM 0 HG2 ARG A 39 -6.994 -11.675 0.874 1.00 4.03 H new ATOM 0 HG3 ARG A 39 -6.362 -13.306 0.981 1.00 4.03 H new ATOM 0 HD2 ARG A 39 -8.031 -13.457 2.561 1.00 54.21 H new ATOM 0 HD3 ARG A 39 -6.716 -12.934 3.595 1.00 54.21 H new ATOM 0 HE ARG A 39 -7.799 -10.539 2.816 1.00 1.40 H new ATOM 0 HH11 ARG A 39 -9.171 -13.522 4.110 1.00 54.31 H new ATOM 0 HH12 ARG A 39 -10.507 -12.695 4.918 1.00 54.31 H new ATOM 0 HH21 ARG A 39 -9.517 -9.481 3.856 1.00 11.20 H new ATOM 0 HH22 ARG A 39 -10.702 -10.415 4.774 1.00 11.20 H new ATOM 552 N PHE A 40 -2.738 -9.871 2.199 1.00 63.35 N ATOM 553 CA PHE A 40 -1.344 -9.605 2.532 1.00 15.41 C ATOM 554 C PHE A 40 -0.757 -10.742 3.362 1.00 30.23 C ATOM 555 O PHE A 40 0.207 -10.550 4.105 1.00 33.22 O ATOM 556 CB PHE A 40 -1.224 -8.285 3.298 1.00 45.45 C ATOM 557 CG PHE A 40 -1.916 -7.135 2.622 1.00 25.10 C ATOM 558 CD1 PHE A 40 -1.486 -6.681 1.386 1.00 13.15 C ATOM 559 CD2 PHE A 40 -2.996 -6.509 3.223 1.00 22.12 C ATOM 560 CE1 PHE A 40 -2.119 -5.623 0.761 1.00 71.04 C ATOM 561 CE2 PHE A 40 -3.634 -5.452 2.603 1.00 32.12 C ATOM 562 CZ PHE A 40 -3.195 -5.007 1.372 1.00 45.31 C ATOM 0 H PHE A 40 -3.412 -9.443 2.834 1.00 63.35 H new ATOM 0 HA PHE A 40 -0.782 -9.530 1.601 1.00 15.41 H new ATOM 0 HB2 PHE A 40 -1.642 -8.414 4.296 1.00 45.45 H new ATOM 0 HB3 PHE A 40 -0.169 -8.041 3.423 1.00 45.45 H new ATOM 0 HD1 PHE A 40 -0.646 -7.160 0.905 1.00 13.15 H new ATOM 0 HD2 PHE A 40 -3.343 -6.851 4.187 1.00 22.12 H new ATOM 0 HE1 PHE A 40 -1.774 -5.278 -0.203 1.00 71.04 H new ATOM 0 HE2 PHE A 40 -4.476 -4.974 3.081 1.00 32.12 H new ATOM 0 HZ PHE A 40 -3.691 -4.179 0.887 1.00 45.31 H new ATOM 571 N LEU A 41 -1.342 -11.927 3.230 1.00 43.35 N ATOM 572 CA LEU A 41 -0.878 -13.097 3.967 1.00 62.12 C ATOM 573 C LEU A 41 -1.310 -14.384 3.274 1.00 70.43 C ATOM 574 O LEU A 41 -0.552 -15.352 3.210 1.00 72.12 O ATOM 575 CB LEU A 41 -1.416 -13.069 5.398 1.00 72.32 C ATOM 576 CG LEU A 41 -0.542 -12.358 6.431 1.00 21.13 C ATOM 577 CD1 LEU A 41 -1.236 -12.321 7.785 1.00 24.35 C ATOM 578 CD2 LEU A 41 0.814 -13.041 6.543 1.00 40.20 C ATOM 0 H LEU A 41 -2.139 -12.103 2.619 1.00 43.35 H new ATOM 0 HA LEU A 41 0.211 -13.070 3.995 1.00 62.12 H new ATOM 0 HB2 LEU A 41 -2.394 -12.589 5.387 1.00 72.32 H new ATOM 0 HB3 LEU A 41 -1.569 -14.097 5.727 1.00 72.32 H new ATOM 0 HG LEU A 41 -0.384 -11.332 6.099 1.00 21.13 H new ATOM 0 HD11 LEU A 41 -0.598 -11.811 8.507 1.00 24.35 H new ATOM 0 HD12 LEU A 41 -2.182 -11.786 7.695 1.00 24.35 H new ATOM 0 HD13 LEU A 41 -1.426 -13.339 8.124 1.00 24.35 H new ATOM 0 HD21 LEU A 41 1.423 -12.522 7.283 1.00 40.20 H new ATOM 0 HD22 LEU A 41 0.675 -14.077 6.850 1.00 40.20 H new ATOM 0 HD23 LEU A 41 1.316 -13.014 5.576 1.00 40.20 H new ATOM 589 N ASP A 42 -2.533 -14.389 2.755 1.00 41.24 N ATOM 590 CA ASP A 42 -3.066 -15.556 2.062 1.00 74.42 C ATOM 591 C ASP A 42 -2.236 -15.880 0.824 1.00 42.42 C ATOM 592 O ASP A 42 -1.711 -16.984 0.687 1.00 62.42 O ATOM 593 CB ASP A 42 -4.525 -15.320 1.667 1.00 71.22 C ATOM 594 CG ASP A 42 -5.436 -15.183 2.872 1.00 4.41 C ATOM 595 OD1 ASP A 42 -5.050 -14.482 3.830 1.00 74.33 O ATOM 596 OD2 ASP A 42 -6.535 -15.775 2.854 1.00 11.55 O ATOM 0 H ASP A 42 -3.174 -13.597 2.801 1.00 41.24 H new ATOM 0 HA ASP A 42 -3.016 -16.406 2.743 1.00 74.42 H new ATOM 0 HB2 ASP A 42 -4.593 -14.417 1.060 1.00 71.22 H new ATOM 0 HB3 ASP A 42 -4.869 -16.148 1.047 1.00 71.22 H new ATOM 600 N ASP A 43 -2.124 -14.909 -0.076 1.00 13.32 N ATOM 601 CA ASP A 43 -1.359 -15.090 -1.304 1.00 0.23 C ATOM 602 C ASP A 43 -0.036 -14.333 -1.237 1.00 35.43 C ATOM 603 O ASP A 43 1.037 -14.921 -1.388 1.00 60.12 O ATOM 604 CB ASP A 43 -2.169 -14.615 -2.511 1.00 54.53 C ATOM 605 CG ASP A 43 -2.631 -15.763 -3.386 1.00 1.23 C ATOM 606 OD1 ASP A 43 -1.799 -16.300 -4.147 1.00 12.21 O ATOM 607 OD2 ASP A 43 -3.824 -16.125 -3.311 1.00 42.12 O ATOM 0 H ASP A 43 -2.553 -13.989 0.022 1.00 13.32 H new ATOM 0 HA ASP A 43 -1.145 -16.153 -1.415 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -3.037 -14.054 -2.164 1.00 54.53 H new ATOM 0 HB3 ASP A 43 -1.563 -13.930 -3.105 1.00 54.53 H new ATOM 611 N LEU A 44 -0.117 -13.027 -1.008 1.00 1.22 N ATOM 612 CA LEU A 44 1.074 -12.189 -0.921 1.00 21.22 C ATOM 613 C LEU A 44 2.002 -12.676 0.187 1.00 74.04 C ATOM 614 O LEU A 44 3.216 -12.475 0.128 1.00 72.55 O ATOM 615 CB LEU A 44 0.680 -10.733 -0.669 1.00 72.21 C ATOM 616 CG LEU A 44 -0.411 -10.166 -1.578 1.00 12.23 C ATOM 617 CD1 LEU A 44 -0.884 -8.815 -1.065 1.00 41.32 C ATOM 618 CD2 LEU A 44 0.095 -10.048 -3.008 1.00 3.34 C ATOM 0 H LEU A 44 -0.996 -12.525 -0.879 1.00 1.22 H new ATOM 0 HA LEU A 44 1.605 -12.256 -1.870 1.00 21.22 H new ATOM 0 HB2 LEU A 44 0.347 -10.641 0.365 1.00 72.21 H new ATOM 0 HB3 LEU A 44 1.571 -10.113 -0.774 1.00 72.21 H new ATOM 0 HG LEU A 44 -1.258 -10.852 -1.569 1.00 12.23 H new ATOM 0 HD11 LEU A 44 -1.660 -8.427 -1.724 1.00 41.32 H new ATOM 0 HD12 LEU A 44 -1.286 -8.929 -0.058 1.00 41.32 H new ATOM 0 HD13 LEU A 44 -0.045 -8.120 -1.044 1.00 41.32 H new ATOM 0 HD21 LEU A 44 -0.694 -9.643 -3.641 1.00 3.34 H new ATOM 0 HD22 LEU A 44 0.959 -9.383 -3.035 1.00 3.34 H new ATOM 0 HD23 LEU A 44 0.384 -11.033 -3.374 1.00 3.34 H new ATOM 629 N HIS A 45 1.423 -13.318 1.197 1.00 32.32 N ATOM 630 CA HIS A 45 2.199 -13.836 2.319 1.00 65.22 C ATOM 631 C HIS A 45 3.134 -12.767 2.873 1.00 2.13 C ATOM 632 O HIS A 45 4.343 -12.811 2.651 1.00 3.54 O ATOM 633 CB HIS A 45 3.005 -15.061 1.885 1.00 74.22 C ATOM 634 CG HIS A 45 3.484 -15.899 3.031 1.00 1.32 C ATOM 635 ND1 HIS A 45 3.870 -17.215 2.891 1.00 24.33 N ATOM 636 CD2 HIS A 45 3.639 -15.601 4.342 1.00 12.22 C ATOM 637 CE1 HIS A 45 4.241 -17.691 4.066 1.00 15.43 C ATOM 638 NE2 HIS A 45 4.110 -16.730 4.965 1.00 4.55 N ATOM 0 H HIS A 45 0.420 -13.492 1.262 1.00 32.32 H new ATOM 0 HA HIS A 45 1.504 -14.127 3.106 1.00 65.22 H new ATOM 0 HB2 HIS A 45 2.390 -15.676 1.228 1.00 74.22 H new ATOM 0 HB3 HIS A 45 3.865 -14.732 1.302 1.00 74.22 H new ATOM 0 HD2 HIS A 45 3.431 -14.651 4.811 1.00 12.22 H new ATOM 0 HE1 HIS A 45 4.592 -18.694 4.260 1.00 15.43 H new ATOM 0 HE2 HIS A 45 4.324 -16.814 5.959 1.00 4.55 H new ATOM 645 N MET A 46 2.566 -11.806 3.595 1.00 52.13 N ATOM 646 CA MET A 46 3.350 -10.726 4.181 1.00 2.30 C ATOM 647 C MET A 46 2.997 -10.534 5.653 1.00 14.44 C ATOM 648 O MET A 46 1.882 -10.133 5.986 1.00 42.12 O ATOM 649 CB MET A 46 3.115 -9.422 3.415 1.00 24.31 C ATOM 650 CG MET A 46 2.775 -9.634 1.948 1.00 13.31 C ATOM 651 SD MET A 46 1.719 -8.331 1.286 1.00 1.21 S ATOM 652 CE MET A 46 2.683 -7.798 -0.127 1.00 32.23 C ATOM 0 H MET A 46 1.566 -11.754 3.788 1.00 52.13 H new ATOM 0 HA MET A 46 4.404 -10.996 4.110 1.00 2.30 H new ATOM 0 HB2 MET A 46 2.305 -8.871 3.892 1.00 24.31 H new ATOM 0 HB3 MET A 46 4.008 -8.801 3.487 1.00 24.31 H new ATOM 0 HG2 MET A 46 3.697 -9.679 1.368 1.00 13.31 H new ATOM 0 HG3 MET A 46 2.276 -10.596 1.830 1.00 13.31 H new ATOM 0 HE1 MET A 46 2.275 -6.864 -0.514 1.00 32.23 H new ATOM 0 HE2 MET A 46 3.719 -7.644 0.176 1.00 32.23 H new ATOM 0 HE3 MET A 46 2.642 -8.561 -0.904 1.00 32.23 H new ATOM 660 N SER A 47 3.954 -10.823 6.529 1.00 42.22 N ATOM 661 CA SER A 47 3.741 -10.687 7.965 1.00 12.25 C ATOM 662 C SER A 47 3.364 -9.252 8.325 1.00 43.23 C ATOM 663 O SER A 47 3.615 -8.322 7.558 1.00 74.33 O ATOM 664 CB SER A 47 5.001 -11.101 8.729 1.00 54.35 C ATOM 665 OG SER A 47 5.413 -12.407 8.364 1.00 40.43 O ATOM 0 H SER A 47 4.884 -11.153 6.270 1.00 42.22 H new ATOM 0 HA SER A 47 2.918 -11.343 8.250 1.00 12.25 H new ATOM 0 HB2 SER A 47 5.804 -10.393 8.524 1.00 54.35 H new ATOM 0 HB3 SER A 47 4.809 -11.063 9.801 1.00 54.35 H new ATOM 0 HG SER A 47 6.221 -12.647 8.865 1.00 40.43 H new ATOM 670 N SER A 48 2.758 -9.082 9.495 1.00 32.22 N ATOM 671 CA SER A 48 2.342 -7.763 9.957 1.00 4.11 C ATOM 672 C SER A 48 3.471 -6.750 9.794 1.00 41.13 C ATOM 673 O SER A 48 3.237 -5.600 9.420 1.00 14.41 O ATOM 674 CB SER A 48 1.904 -7.826 11.420 1.00 73.10 C ATOM 675 OG SER A 48 2.695 -8.748 12.151 1.00 2.24 O ATOM 0 H SER A 48 2.544 -9.842 10.141 1.00 32.22 H new ATOM 0 HA SER A 48 1.498 -7.441 9.347 1.00 4.11 H new ATOM 0 HB2 SER A 48 1.985 -6.836 11.870 1.00 73.10 H new ATOM 0 HB3 SER A 48 0.855 -8.117 11.476 1.00 73.10 H new ATOM 0 HG SER A 48 2.396 -8.768 13.084 1.00 2.24 H new ATOM 680 N ILE A 49 4.693 -7.185 10.078 1.00 51.42 N ATOM 681 CA ILE A 49 5.858 -6.316 9.963 1.00 32.42 C ATOM 682 C ILE A 49 6.242 -6.101 8.503 1.00 71.22 C ATOM 683 O ILE A 49 6.643 -5.005 8.109 1.00 63.33 O ATOM 684 CB ILE A 49 7.068 -6.895 10.720 1.00 31.23 C ATOM 685 CG1 ILE A 49 6.731 -7.078 12.201 1.00 20.23 C ATOM 686 CG2 ILE A 49 8.279 -5.989 10.555 1.00 1.11 C ATOM 687 CD1 ILE A 49 6.225 -5.817 12.866 1.00 71.42 C ATOM 0 H ILE A 49 4.903 -8.133 10.389 1.00 51.42 H new ATOM 0 HA ILE A 49 5.584 -5.360 10.408 1.00 32.42 H new ATOM 0 HB ILE A 49 7.308 -7.871 10.298 1.00 31.23 H new ATOM 0 HG12 ILE A 49 5.977 -7.859 12.300 1.00 20.23 H new ATOM 0 HG13 ILE A 49 7.620 -7.425 12.727 1.00 20.23 H new ATOM 0 HG21 ILE A 49 9.126 -6.412 11.096 1.00 1.11 H new ATOM 0 HG22 ILE A 49 8.529 -5.905 9.497 1.00 1.11 H new ATOM 0 HG23 ILE A 49 8.051 -5.000 10.954 1.00 1.11 H new ATOM 0 HD11 ILE A 49 6.006 -6.021 13.914 1.00 71.42 H new ATOM 0 HD12 ILE A 49 6.986 -5.040 12.799 1.00 71.42 H new ATOM 0 HD13 ILE A 49 5.318 -5.480 12.365 1.00 71.42 H new ATOM 698 N THR A 50 6.113 -7.154 7.702 1.00 4.33 N ATOM 699 CA THR A 50 6.446 -7.081 6.285 1.00 4.40 C ATOM 700 C THR A 50 5.515 -6.123 5.550 1.00 51.21 C ATOM 701 O THR A 50 5.941 -5.385 4.662 1.00 45.23 O ATOM 702 CB THR A 50 6.368 -8.467 5.617 1.00 71.11 C ATOM 703 OG1 THR A 50 7.258 -9.378 6.273 1.00 50.43 O ATOM 704 CG2 THR A 50 6.723 -8.377 4.140 1.00 70.20 C ATOM 0 H THR A 50 5.780 -8.067 8.011 1.00 4.33 H new ATOM 0 HA THR A 50 7.469 -6.711 6.220 1.00 4.40 H new ATOM 0 HB THR A 50 5.345 -8.832 5.706 1.00 71.11 H new ATOM 0 HG1 THR A 50 7.201 -10.257 5.844 1.00 50.43 H new ATOM 0 HG21 THR A 50 6.661 -9.368 3.690 1.00 70.20 H new ATOM 0 HG22 THR A 50 6.026 -7.706 3.638 1.00 70.20 H new ATOM 0 HG23 THR A 50 7.737 -7.992 4.032 1.00 70.20 H new ATOM 712 N VAL A 51 4.240 -6.138 5.928 1.00 41.11 N ATOM 713 CA VAL A 51 3.249 -5.268 5.306 1.00 54.13 C ATOM 714 C VAL A 51 3.569 -3.799 5.561 1.00 45.01 C ATOM 715 O VAL A 51 3.556 -2.983 4.640 1.00 24.12 O ATOM 716 CB VAL A 51 1.831 -5.570 5.829 1.00 11.24 C ATOM 717 CG1 VAL A 51 0.785 -4.908 4.947 1.00 62.14 C ATOM 718 CG2 VAL A 51 1.601 -7.072 5.907 1.00 33.41 C ATOM 0 H VAL A 51 3.870 -6.743 6.661 1.00 41.11 H new ATOM 0 HA VAL A 51 3.284 -5.464 4.234 1.00 54.13 H new ATOM 0 HB VAL A 51 1.738 -5.158 6.834 1.00 11.24 H new ATOM 0 HG11 VAL A 51 -0.210 -5.132 5.332 1.00 62.14 H new ATOM 0 HG12 VAL A 51 0.939 -3.829 4.947 1.00 62.14 H new ATOM 0 HG13 VAL A 51 0.874 -5.287 3.929 1.00 62.14 H new ATOM 0 HG21 VAL A 51 0.595 -7.267 6.278 1.00 33.41 H new ATOM 0 HG22 VAL A 51 1.713 -7.509 4.915 1.00 33.41 H new ATOM 0 HG23 VAL A 51 2.330 -7.517 6.584 1.00 33.41 H new ATOM 728 N GLY A 52 3.858 -3.470 6.816 1.00 0.23 N ATOM 729 CA GLY A 52 4.179 -2.099 7.168 1.00 62.33 C ATOM 730 C GLY A 52 5.386 -1.575 6.416 1.00 62.51 C ATOM 731 O GLY A 52 5.505 -0.373 6.183 1.00 43.12 O ATOM 0 H GLY A 52 3.876 -4.128 7.595 1.00 0.23 H new ATOM 0 HA2 GLY A 52 3.319 -1.462 6.958 1.00 62.33 H new ATOM 0 HA3 GLY A 52 4.367 -2.037 8.240 1.00 62.33 H new ATOM 735 N GLN A 53 6.284 -2.479 6.038 1.00 14.23 N ATOM 736 CA GLN A 53 7.490 -2.099 5.311 1.00 75.34 C ATOM 737 C GLN A 53 7.141 -1.502 3.952 1.00 74.25 C ATOM 738 O GLN A 53 7.660 -0.452 3.571 1.00 31.31 O ATOM 739 CB GLN A 53 8.404 -3.312 5.129 1.00 40.22 C ATOM 740 CG GLN A 53 8.762 -4.006 6.433 1.00 30.50 C ATOM 741 CD GLN A 53 10.223 -3.839 6.801 1.00 33.43 C ATOM 742 OE1 GLN A 53 10.552 -3.403 7.905 1.00 73.15 O ATOM 743 NE2 GLN A 53 11.110 -4.186 5.876 1.00 52.21 N ATOM 0 H GLN A 53 6.200 -3.479 6.223 1.00 14.23 H new ATOM 0 HA GLN A 53 8.014 -1.343 5.896 1.00 75.34 H new ATOM 0 HB2 GLN A 53 7.916 -4.028 4.468 1.00 40.22 H new ATOM 0 HB3 GLN A 53 9.321 -2.994 4.633 1.00 40.22 H new ATOM 0 HG2 GLN A 53 8.141 -3.607 7.235 1.00 30.50 H new ATOM 0 HG3 GLN A 53 8.531 -5.068 6.350 1.00 30.50 H new ATOM 0 HE21 GLN A 53 10.794 -4.543 4.974 1.00 52.21 H new ATOM 0 HE22 GLN A 53 12.108 -4.096 6.067 1.00 52.21 H new ATOM 750 N LEU A 54 6.258 -2.177 3.224 1.00 54.03 N ATOM 751 CA LEU A 54 5.838 -1.713 1.906 1.00 60.34 C ATOM 752 C LEU A 54 4.752 -0.649 2.024 1.00 12.40 C ATOM 753 O LEU A 54 4.668 0.261 1.199 1.00 4.20 O ATOM 754 CB LEU A 54 5.328 -2.888 1.069 1.00 53.31 C ATOM 755 CG LEU A 54 3.846 -3.230 1.225 1.00 75.11 C ATOM 756 CD1 LEU A 54 3.004 -2.412 0.259 1.00 23.15 C ATOM 757 CD2 LEU A 54 3.616 -4.719 1.008 1.00 21.14 C ATOM 0 H LEU A 54 5.819 -3.047 3.524 1.00 54.03 H new ATOM 0 HA LEU A 54 6.702 -1.270 1.411 1.00 60.34 H new ATOM 0 HB2 LEU A 54 5.522 -2.671 0.019 1.00 53.31 H new ATOM 0 HB3 LEU A 54 5.913 -3.771 1.325 1.00 53.31 H new ATOM 0 HG LEU A 54 3.541 -2.980 2.241 1.00 75.11 H new ATOM 0 HD11 LEU A 54 1.952 -2.669 0.385 1.00 23.15 H new ATOM 0 HD12 LEU A 54 3.145 -1.350 0.463 1.00 23.15 H new ATOM 0 HD13 LEU A 54 3.310 -2.629 -0.764 1.00 23.15 H new ATOM 0 HD21 LEU A 54 2.556 -4.944 1.123 1.00 21.14 H new ATOM 0 HD22 LEU A 54 3.939 -4.994 0.004 1.00 21.14 H new ATOM 0 HD23 LEU A 54 4.189 -5.286 1.742 1.00 21.14 H new ATOM 768 N VAL A 55 3.923 -0.768 3.056 1.00 13.43 N ATOM 769 CA VAL A 55 2.845 0.187 3.285 1.00 44.43 C ATOM 770 C VAL A 55 3.388 1.603 3.443 1.00 24.41 C ATOM 771 O VAL A 55 2.709 2.577 3.126 1.00 13.41 O ATOM 772 CB VAL A 55 2.026 -0.180 4.536 1.00 52.14 C ATOM 773 CG1 VAL A 55 2.509 0.612 5.741 1.00 34.53 C ATOM 774 CG2 VAL A 55 0.543 0.058 4.291 1.00 20.34 C ATOM 0 H VAL A 55 3.977 -1.516 3.747 1.00 13.43 H new ATOM 0 HA VAL A 55 2.196 0.146 2.410 1.00 44.43 H new ATOM 0 HB VAL A 55 2.171 -1.240 4.746 1.00 52.14 H new ATOM 0 HG11 VAL A 55 1.919 0.340 6.616 1.00 34.53 H new ATOM 0 HG12 VAL A 55 3.559 0.387 5.927 1.00 34.53 H new ATOM 0 HG13 VAL A 55 2.396 1.678 5.545 1.00 34.53 H new ATOM 0 HG21 VAL A 55 -0.021 -0.207 5.186 1.00 20.34 H new ATOM 0 HG22 VAL A 55 0.377 1.109 4.055 1.00 20.34 H new ATOM 0 HG23 VAL A 55 0.209 -0.558 3.456 1.00 20.34 H new ATOM 784 N ASN A 56 4.617 1.707 3.936 1.00 21.05 N ATOM 785 CA ASN A 56 5.253 3.005 4.137 1.00 32.52 C ATOM 786 C ASN A 56 5.589 3.659 2.800 1.00 23.41 C ATOM 787 O ASN A 56 5.419 4.866 2.629 1.00 74.51 O ATOM 788 CB ASN A 56 6.523 2.849 4.975 1.00 21.13 C ATOM 789 CG ASN A 56 6.422 3.553 6.314 1.00 32.43 C ATOM 790 OD1 ASN A 56 6.275 4.774 6.377 1.00 15.00 O ATOM 791 ND2 ASN A 56 6.502 2.785 7.394 1.00 32.31 N ATOM 0 H ASN A 56 5.193 0.909 4.204 1.00 21.05 H new ATOM 0 HA ASN A 56 4.551 3.647 4.669 1.00 32.52 H new ATOM 0 HB2 ASN A 56 6.719 1.789 5.139 1.00 21.13 H new ATOM 0 HB3 ASN A 56 7.372 3.249 4.421 1.00 21.13 H new ATOM 0 HD21 ASN A 56 6.442 3.203 8.323 1.00 32.31 H new ATOM 0 HD22 ASN A 56 6.624 1.777 7.295 1.00 32.31 H new ATOM 797 N GLU A 57 6.065 2.853 1.856 1.00 30.21 N ATOM 798 CA GLU A 57 6.426 3.354 0.535 1.00 60.13 C ATOM 799 C GLU A 57 5.210 3.947 -0.171 1.00 62.23 C ATOM 800 O GLU A 57 5.320 4.935 -0.896 1.00 4.41 O ATOM 801 CB GLU A 57 7.026 2.233 -0.314 1.00 24.31 C ATOM 802 CG GLU A 57 7.764 2.730 -1.546 1.00 64.34 C ATOM 803 CD GLU A 57 9.158 3.233 -1.227 1.00 24.24 C ATOM 804 OE1 GLU A 57 9.532 3.230 -0.035 1.00 72.34 O ATOM 805 OE2 GLU A 57 9.877 3.630 -2.168 1.00 45.14 O ATOM 0 H GLU A 57 6.209 1.851 1.981 1.00 30.21 H new ATOM 0 HA GLU A 57 7.170 4.140 0.663 1.00 60.13 H new ATOM 0 HB2 GLU A 57 7.713 1.651 0.301 1.00 24.31 H new ATOM 0 HB3 GLU A 57 6.229 1.559 -0.626 1.00 24.31 H new ATOM 0 HG2 GLU A 57 7.831 1.923 -2.275 1.00 64.34 H new ATOM 0 HG3 GLU A 57 7.190 3.532 -2.010 1.00 64.34 H new ATOM 810 N ALA A 58 4.050 3.335 0.046 1.00 53.40 N ATOM 811 CA ALA A 58 2.813 3.802 -0.568 1.00 64.11 C ATOM 812 C ALA A 58 2.438 5.190 -0.061 1.00 11.33 C ATOM 813 O ALA A 58 2.181 6.101 -0.848 1.00 65.15 O ATOM 814 CB ALA A 58 1.685 2.818 -0.297 1.00 25.52 C ATOM 0 H ALA A 58 3.941 2.515 0.642 1.00 53.40 H new ATOM 0 HA ALA A 58 2.973 3.868 -1.644 1.00 64.11 H new ATOM 0 HB1 ALA A 58 0.767 3.179 -0.761 1.00 25.52 H new ATOM 0 HB2 ALA A 58 1.943 1.845 -0.714 1.00 25.52 H new ATOM 0 HB3 ALA A 58 1.535 2.724 0.778 1.00 25.52 H new ATOM 820 N ALA A 59 2.410 5.346 1.259 1.00 22.24 N ATOM 821 CA ALA A 59 2.069 6.624 1.870 1.00 55.50 C ATOM 822 C ALA A 59 2.957 7.743 1.337 1.00 24.42 C ATOM 823 O ALA A 59 2.498 8.864 1.123 1.00 4.51 O ATOM 824 CB ALA A 59 2.183 6.532 3.384 1.00 10.04 C ATOM 0 H ALA A 59 2.620 4.603 1.925 1.00 22.24 H new ATOM 0 HA ALA A 59 1.038 6.860 1.608 1.00 55.50 H new ATOM 0 HB1 ALA A 59 1.925 7.494 3.827 1.00 10.04 H new ATOM 0 HB2 ALA A 59 1.500 5.767 3.754 1.00 10.04 H new ATOM 0 HB3 ALA A 59 3.205 6.269 3.657 1.00 10.04 H new ATOM 830 N ARG A 60 4.232 7.430 1.127 1.00 33.24 N ATOM 831 CA ARG A 60 5.186 8.410 0.621 1.00 74.31 C ATOM 832 C ARG A 60 4.749 8.941 -0.741 1.00 33.24 C ATOM 833 O ARG A 60 4.806 10.142 -0.998 1.00 15.41 O ATOM 834 CB ARG A 60 6.580 7.790 0.516 1.00 73.22 C ATOM 835 CG ARG A 60 7.628 8.737 -0.042 1.00 44.41 C ATOM 836 CD ARG A 60 7.919 8.446 -1.507 1.00 43.10 C ATOM 837 NE ARG A 60 9.268 7.924 -1.704 1.00 73.42 N ATOM 838 CZ ARG A 60 9.662 7.308 -2.813 1.00 23.44 C ATOM 839 NH1 ARG A 60 8.816 7.140 -3.819 1.00 62.41 N ATOM 840 NH2 ARG A 60 10.907 6.860 -2.917 1.00 31.32 N ATOM 0 H ARG A 60 4.628 6.506 1.299 1.00 33.24 H new ATOM 0 HA ARG A 60 5.219 9.243 1.323 1.00 74.31 H new ATOM 0 HB2 ARG A 60 6.895 7.455 1.504 1.00 73.22 H new ATOM 0 HB3 ARG A 60 6.528 6.905 -0.118 1.00 73.22 H new ATOM 0 HG2 ARG A 60 7.284 9.766 0.064 1.00 44.41 H new ATOM 0 HG3 ARG A 60 8.547 8.647 0.537 1.00 44.41 H new ATOM 0 HD2 ARG A 60 7.193 7.726 -1.885 1.00 43.10 H new ATOM 0 HD3 ARG A 60 7.795 9.359 -2.089 1.00 43.10 H new ATOM 0 HE ARG A 60 9.945 8.038 -0.949 1.00 73.42 H new ATOM 0 HH11 ARG A 60 7.859 7.484 -3.743 1.00 62.41 H new ATOM 0 HH12 ARG A 60 9.122 6.667 -4.669 1.00 62.41 H new ATOM 0 HH21 ARG A 60 11.561 6.989 -2.145 1.00 31.32 H new ATOM 0 HH22 ARG A 60 11.209 6.387 -3.769 1.00 31.32 H new ATOM 851 N ALA A 61 4.315 8.035 -1.612 1.00 31.41 N ATOM 852 CA ALA A 61 3.868 8.411 -2.947 1.00 10.10 C ATOM 853 C ALA A 61 2.560 9.194 -2.887 1.00 4.32 C ATOM 854 O ALA A 61 2.382 10.178 -3.604 1.00 11.21 O ATOM 855 CB ALA A 61 3.705 7.174 -3.817 1.00 71.20 C ATOM 0 H ALA A 61 4.264 7.035 -1.416 1.00 31.41 H new ATOM 0 HA ALA A 61 4.627 9.055 -3.390 1.00 10.10 H new ATOM 0 HB1 ALA A 61 3.371 7.470 -4.811 1.00 71.20 H new ATOM 0 HB2 ALA A 61 4.661 6.655 -3.895 1.00 71.20 H new ATOM 0 HB3 ALA A 61 2.967 6.509 -3.369 1.00 71.20 H new ATOM 861 N MET A 62 1.649 8.749 -2.029 1.00 55.43 N ATOM 862 CA MET A 62 0.357 9.410 -1.876 1.00 31.24 C ATOM 863 C MET A 62 0.511 10.746 -1.158 1.00 11.53 C ATOM 864 O MET A 62 -0.437 11.524 -1.063 1.00 1.12 O ATOM 865 CB MET A 62 -0.611 8.511 -1.104 1.00 1.03 C ATOM 866 CG MET A 62 -0.793 7.137 -1.727 1.00 4.20 C ATOM 867 SD MET A 62 -1.279 7.220 -3.462 1.00 72.54 S ATOM 868 CE MET A 62 -3.058 7.373 -3.308 1.00 74.31 C ATOM 0 H MET A 62 1.780 7.934 -1.429 1.00 55.43 H new ATOM 0 HA MET A 62 -0.047 9.598 -2.871 1.00 31.24 H new ATOM 0 HB2 MET A 62 -0.248 8.393 -0.083 1.00 1.03 H new ATOM 0 HB3 MET A 62 -1.581 9.004 -1.042 1.00 1.03 H new ATOM 0 HG2 MET A 62 0.138 6.577 -1.641 1.00 4.20 H new ATOM 0 HG3 MET A 62 -1.549 6.586 -1.168 1.00 4.20 H new ATOM 0 HE1 MET A 62 -3.465 7.816 -4.217 1.00 74.31 H new ATOM 0 HE2 MET A 62 -3.496 6.386 -3.158 1.00 74.31 H new ATOM 0 HE3 MET A 62 -3.296 8.009 -2.456 1.00 74.31 H new ATOM 876 N GLY A 63 1.713 11.007 -0.653 1.00 74.41 N ATOM 877 CA GLY A 63 1.969 12.250 0.051 1.00 13.31 C ATOM 878 C GLY A 63 1.295 12.298 1.409 1.00 64.20 C ATOM 879 O GLY A 63 0.635 13.280 1.749 1.00 24.35 O ATOM 0 H GLY A 63 2.514 10.379 -0.719 1.00 74.41 H new ATOM 0 HA2 GLY A 63 3.044 12.377 0.178 1.00 13.31 H new ATOM 0 HA3 GLY A 63 1.619 13.086 -0.555 1.00 13.31 H new ATOM 883 N LEU A 64 1.460 11.233 2.186 1.00 70.32 N ATOM 884 CA LEU A 64 0.861 11.155 3.514 1.00 50.54 C ATOM 885 C LEU A 64 1.920 11.312 4.599 1.00 22.31 C ATOM 886 O LEU A 64 3.037 11.756 4.332 1.00 44.34 O ATOM 887 CB LEU A 64 0.128 9.824 3.687 1.00 34.53 C ATOM 888 CG LEU A 64 -0.655 9.325 2.474 1.00 52.04 C ATOM 889 CD1 LEU A 64 -1.478 8.098 2.837 1.00 3.13 C ATOM 890 CD2 LEU A 64 -1.552 10.427 1.929 1.00 22.15 C ATOM 0 H LEU A 64 2.003 10.412 1.920 1.00 70.32 H new ATOM 0 HA LEU A 64 0.145 11.971 3.612 1.00 50.54 H new ATOM 0 HB2 LEU A 64 0.859 9.063 3.960 1.00 34.53 H new ATOM 0 HB3 LEU A 64 -0.562 9.919 4.525 1.00 34.53 H new ATOM 0 HG LEU A 64 0.056 9.044 1.697 1.00 52.04 H new ATOM 0 HD11 LEU A 64 -2.029 7.757 1.960 1.00 3.13 H new ATOM 0 HD12 LEU A 64 -0.815 7.304 3.181 1.00 3.13 H new ATOM 0 HD13 LEU A 64 -2.181 8.353 3.630 1.00 3.13 H new ATOM 0 HD21 LEU A 64 -2.102 10.054 1.065 1.00 22.15 H new ATOM 0 HD22 LEU A 64 -2.256 10.738 2.701 1.00 22.15 H new ATOM 0 HD23 LEU A 64 -0.941 11.279 1.630 1.00 22.15 H new ATOM 901 N SER A 65 1.564 10.942 5.825 1.00 51.23 N ATOM 902 CA SER A 65 2.484 11.043 6.952 1.00 4.21 C ATOM 903 C SER A 65 2.060 10.114 8.085 1.00 65.43 C ATOM 904 O SER A 65 2.664 9.063 8.299 1.00 63.01 O ATOM 905 CB SER A 65 2.547 12.486 7.458 1.00 32.01 C ATOM 906 OG SER A 65 3.218 12.560 8.705 1.00 4.42 O ATOM 0 H SER A 65 0.645 10.569 6.063 1.00 51.23 H new ATOM 0 HA SER A 65 3.474 10.741 6.609 1.00 4.21 H new ATOM 0 HB2 SER A 65 3.062 13.109 6.727 1.00 32.01 H new ATOM 0 HB3 SER A 65 1.537 12.883 7.561 1.00 32.01 H new ATOM 0 HG SER A 65 3.247 13.492 9.006 1.00 4.42 H new ATOM 911 N ALA A 66 1.016 10.508 8.807 1.00 30.12 N ATOM 912 CA ALA A 66 0.510 9.709 9.916 1.00 12.20 C ATOM 913 C ALA A 66 -0.345 8.552 9.413 1.00 72.31 C ATOM 914 O ALA A 66 -0.665 7.630 10.164 1.00 34.35 O ATOM 915 CB ALA A 66 -0.290 10.582 10.872 1.00 14.31 C ATOM 0 H ALA A 66 0.505 11.375 8.644 1.00 30.12 H new ATOM 0 HA ALA A 66 1.363 9.291 10.450 1.00 12.20 H new ATOM 0 HB1 ALA A 66 -0.662 9.973 11.696 1.00 14.31 H new ATOM 0 HB2 ALA A 66 0.350 11.372 11.265 1.00 14.31 H new ATOM 0 HB3 ALA A 66 -1.131 11.027 10.341 1.00 14.31 H new ATOM 921 N VAL A 67 -0.714 8.604 8.137 1.00 1.43 N ATOM 922 CA VAL A 67 -1.533 7.559 7.534 1.00 14.33 C ATOM 923 C VAL A 67 -0.829 6.208 7.593 1.00 54.22 C ATOM 924 O VAL A 67 -1.459 5.162 7.434 1.00 35.33 O ATOM 925 CB VAL A 67 -1.869 7.886 6.066 1.00 14.24 C ATOM 926 CG1 VAL A 67 -2.687 6.766 5.444 1.00 61.24 C ATOM 927 CG2 VAL A 67 -2.606 9.213 5.973 1.00 5.51 C ATOM 0 H VAL A 67 -0.459 9.359 7.501 1.00 1.43 H new ATOM 0 HA VAL A 67 -2.458 7.510 8.109 1.00 14.33 H new ATOM 0 HB VAL A 67 -0.937 7.975 5.508 1.00 14.24 H new ATOM 0 HG11 VAL A 67 -2.915 7.014 4.407 1.00 61.24 H new ATOM 0 HG12 VAL A 67 -2.117 5.837 5.478 1.00 61.24 H new ATOM 0 HG13 VAL A 67 -3.616 6.642 6.000 1.00 61.24 H new ATOM 0 HG21 VAL A 67 -2.836 9.429 4.930 1.00 5.51 H new ATOM 0 HG22 VAL A 67 -3.532 9.155 6.544 1.00 5.51 H new ATOM 0 HG23 VAL A 67 -1.979 10.007 6.378 1.00 5.51 H new ATOM 937 N ALA A 68 0.478 6.238 7.825 1.00 31.44 N ATOM 938 CA ALA A 68 1.268 5.015 7.909 1.00 62.15 C ATOM 939 C ALA A 68 0.531 3.940 8.701 1.00 21.14 C ATOM 940 O ALA A 68 0.420 4.024 9.924 1.00 52.14 O ATOM 941 CB ALA A 68 2.623 5.302 8.539 1.00 44.44 C ATOM 0 H ALA A 68 1.013 7.096 7.958 1.00 31.44 H new ATOM 0 HA ALA A 68 1.423 4.642 6.897 1.00 62.15 H new ATOM 0 HB1 ALA A 68 3.201 4.380 8.595 1.00 44.44 H new ATOM 0 HB2 ALA A 68 3.160 6.030 7.931 1.00 44.44 H new ATOM 0 HB3 ALA A 68 2.480 5.702 9.543 1.00 44.44 H new ATOM 947 N MET A 69 0.031 2.931 7.997 1.00 64.52 N ATOM 948 CA MET A 69 -0.694 1.838 8.636 1.00 45.22 C ATOM 949 C MET A 69 -1.987 2.342 9.271 1.00 63.21 C ATOM 950 O MET A 69 -2.060 2.590 10.475 1.00 22.35 O ATOM 951 CB MET A 69 0.180 1.168 9.697 1.00 4.04 C ATOM 952 CG MET A 69 1.649 1.090 9.313 1.00 4.33 C ATOM 953 SD MET A 69 2.436 -0.430 9.877 1.00 35.32 S ATOM 954 CE MET A 69 1.413 -1.660 9.072 1.00 21.02 C ATOM 0 H MET A 69 0.114 2.847 6.984 1.00 64.52 H new ATOM 0 HA MET A 69 -0.947 1.106 7.869 1.00 45.22 H new ATOM 0 HB2 MET A 69 0.086 1.718 10.633 1.00 4.04 H new ATOM 0 HB3 MET A 69 -0.193 0.160 9.880 1.00 4.04 H new ATOM 0 HG2 MET A 69 1.741 1.161 8.229 1.00 4.33 H new ATOM 0 HG3 MET A 69 2.176 1.946 9.735 1.00 4.33 H new ATOM 0 HE1 MET A 69 2.000 -2.560 8.892 1.00 21.02 H new ATOM 0 HE2 MET A 69 0.564 -1.902 9.711 1.00 21.02 H new ATOM 0 HE3 MET A 69 1.051 -1.267 8.122 1.00 21.02 H new ATOM 962 N PRO A 70 -3.031 2.499 8.444 1.00 70.54 N ATOM 963 CA PRO A 70 -4.340 2.974 8.904 1.00 62.34 C ATOM 964 C PRO A 70 -5.057 1.948 9.775 1.00 5.10 C ATOM 965 O PRO A 70 -5.897 2.300 10.603 1.00 71.34 O ATOM 966 CB PRO A 70 -5.111 3.202 7.601 1.00 71.35 C ATOM 967 CG PRO A 70 -4.469 2.288 6.616 1.00 1.41 C ATOM 968 CD PRO A 70 -3.016 2.222 6.998 1.00 42.15 C ATOM 0 HA PRO A 70 -4.255 3.864 9.527 1.00 62.34 H new ATOM 0 HB2 PRO A 70 -6.170 2.973 7.722 1.00 71.35 H new ATOM 0 HB3 PRO A 70 -5.045 4.241 7.278 1.00 71.35 H new ATOM 0 HG2 PRO A 70 -4.926 1.299 6.646 1.00 1.41 H new ATOM 0 HG3 PRO A 70 -4.589 2.663 5.600 1.00 1.41 H new ATOM 0 HD2 PRO A 70 -2.587 1.244 6.781 1.00 42.15 H new ATOM 0 HD3 PRO A 70 -2.424 2.958 6.454 1.00 42.15 H new ATOM 973 N THR A 71 -4.719 0.677 9.583 1.00 65.34 N ATOM 974 CA THR A 71 -5.331 -0.401 10.349 1.00 73.22 C ATOM 975 C THR A 71 -4.687 -1.744 10.024 1.00 3.15 C ATOM 976 O THR A 71 -3.857 -1.841 9.120 1.00 44.11 O ATOM 977 CB THR A 71 -6.845 -0.493 10.081 1.00 54.20 C ATOM 978 OG1 THR A 71 -7.445 -1.438 10.975 1.00 64.31 O ATOM 979 CG2 THR A 71 -7.116 -0.905 8.642 1.00 10.21 C ATOM 0 H THR A 71 -4.024 0.369 8.903 1.00 65.34 H new ATOM 0 HA THR A 71 -5.169 -0.169 11.402 1.00 73.22 H new ATOM 0 HB THR A 71 -7.281 0.492 10.248 1.00 54.20 H new ATOM 0 HG1 THR A 71 -8.408 -1.489 10.799 1.00 64.31 H new ATOM 0 HG21 THR A 71 -8.192 -0.963 8.477 1.00 10.21 H new ATOM 0 HG22 THR A 71 -6.684 -0.168 7.965 1.00 10.21 H new ATOM 0 HG23 THR A 71 -6.666 -1.880 8.452 1.00 10.21 H new ATOM 987 N ASN A 72 -5.074 -2.777 10.764 1.00 53.23 N ATOM 988 CA ASN A 72 -4.534 -4.115 10.553 1.00 42.11 C ATOM 989 C ASN A 72 -4.597 -4.500 9.077 1.00 14.41 C ATOM 990 O ASN A 72 -5.561 -4.179 8.382 1.00 51.40 O ATOM 991 CB ASN A 72 -5.303 -5.136 11.391 1.00 74.54 C ATOM 992 CG ASN A 72 -4.427 -6.287 11.848 1.00 63.15 C ATOM 993 OD1 ASN A 72 -3.551 -6.116 12.696 1.00 72.35 O ATOM 994 ND2 ASN A 72 -4.660 -7.468 11.286 1.00 42.35 N ATOM 0 H ASN A 72 -5.760 -2.713 11.516 1.00 53.23 H new ATOM 0 HA ASN A 72 -3.490 -4.112 10.866 1.00 42.11 H new ATOM 0 HB2 ASN A 72 -5.729 -4.639 12.263 1.00 74.54 H new ATOM 0 HB3 ASN A 72 -6.137 -5.527 10.807 1.00 74.54 H new ATOM 0 HD21 ASN A 72 -4.102 -8.279 11.553 1.00 42.35 H new ATOM 0 HD22 ASN A 72 -5.397 -7.564 10.587 1.00 42.35 H new ATOM 1000 N PHE A 73 -3.564 -5.191 8.608 1.00 5.45 N ATOM 1001 CA PHE A 73 -3.501 -5.619 7.215 1.00 32.32 C ATOM 1002 C PHE A 73 -3.395 -7.138 7.118 1.00 31.13 C ATOM 1003 O PHE A 73 -3.688 -7.726 6.078 1.00 63.32 O ATOM 1004 CB PHE A 73 -2.308 -4.968 6.512 1.00 41.42 C ATOM 1005 CG PHE A 73 -2.550 -3.537 6.124 1.00 34.04 C ATOM 1006 CD1 PHE A 73 -3.537 -3.211 5.208 1.00 13.43 C ATOM 1007 CD2 PHE A 73 -1.790 -2.518 6.677 1.00 71.21 C ATOM 1008 CE1 PHE A 73 -3.760 -1.894 4.850 1.00 63.43 C ATOM 1009 CE2 PHE A 73 -2.009 -1.200 6.323 1.00 42.32 C ATOM 1010 CZ PHE A 73 -2.996 -0.888 5.408 1.00 14.23 C ATOM 0 H PHE A 73 -2.759 -5.467 9.171 1.00 5.45 H new ATOM 0 HA PHE A 73 -4.421 -5.303 6.722 1.00 32.32 H new ATOM 0 HB2 PHE A 73 -1.439 -5.016 7.168 1.00 41.42 H new ATOM 0 HB3 PHE A 73 -2.065 -5.543 5.618 1.00 41.42 H new ATOM 0 HD1 PHE A 73 -4.138 -3.993 4.769 1.00 13.43 H new ATOM 0 HD2 PHE A 73 -1.018 -2.757 7.393 1.00 71.21 H new ATOM 0 HE1 PHE A 73 -4.532 -1.652 4.134 1.00 63.43 H new ATOM 0 HE2 PHE A 73 -1.410 -0.415 6.761 1.00 42.32 H new ATOM 0 HZ PHE A 73 -3.170 0.141 5.130 1.00 14.23 H new ATOM 1019 N ALA A 74 -2.972 -7.767 8.211 1.00 0.42 N ATOM 1020 CA ALA A 74 -2.828 -9.216 8.250 1.00 61.25 C ATOM 1021 C ALA A 74 -4.126 -9.908 7.845 1.00 70.53 C ATOM 1022 O ALA A 74 -4.126 -11.082 7.472 1.00 1.23 O ATOM 1023 CB ALA A 74 -2.399 -9.667 9.639 1.00 12.04 C ATOM 0 H ALA A 74 -2.723 -7.295 9.080 1.00 0.42 H new ATOM 0 HA ALA A 74 -2.057 -9.499 7.534 1.00 61.25 H new ATOM 0 HB1 ALA A 74 -2.295 -10.752 9.653 1.00 12.04 H new ATOM 0 HB2 ALA A 74 -1.443 -9.208 9.892 1.00 12.04 H new ATOM 0 HB3 ALA A 74 -3.151 -9.365 10.368 1.00 12.04 H new ATOM 1029 N THR A 75 -5.231 -9.175 7.923 1.00 51.02 N ATOM 1030 CA THR A 75 -6.536 -9.718 7.567 1.00 74.02 C ATOM 1031 C THR A 75 -7.199 -8.886 6.475 1.00 2.25 C ATOM 1032 O THR A 75 -8.378 -9.065 6.175 1.00 44.45 O ATOM 1033 CB THR A 75 -7.472 -9.779 8.789 1.00 14.20 C ATOM 1034 OG1 THR A 75 -8.745 -10.310 8.405 1.00 2.21 O ATOM 1035 CG2 THR A 75 -7.655 -8.398 9.399 1.00 72.25 C ATOM 0 H THR A 75 -5.249 -8.202 8.230 1.00 51.02 H new ATOM 0 HA THR A 75 -6.367 -10.729 7.197 1.00 74.02 H new ATOM 0 HB THR A 75 -7.018 -10.431 9.535 1.00 14.20 H new ATOM 0 HG1 THR A 75 -8.867 -10.202 7.439 1.00 2.21 H new ATOM 0 HG21 THR A 75 -8.320 -8.466 10.260 1.00 72.25 H new ATOM 0 HG22 THR A 75 -6.687 -8.010 9.717 1.00 72.25 H new ATOM 0 HG23 THR A 75 -8.089 -7.727 8.658 1.00 72.25 H new ATOM 1043 N ALA A 76 -6.432 -7.976 5.883 1.00 72.21 N ATOM 1044 CA ALA A 76 -6.944 -7.118 4.822 1.00 51.24 C ATOM 1045 C ALA A 76 -6.422 -7.559 3.459 1.00 72.20 C ATOM 1046 O ALA A 76 -5.619 -8.488 3.361 1.00 62.13 O ATOM 1047 CB ALA A 76 -6.570 -5.668 5.089 1.00 51.11 C ATOM 0 H ALA A 76 -5.453 -7.814 6.121 1.00 72.21 H new ATOM 0 HA ALA A 76 -8.030 -7.205 4.811 1.00 51.24 H new ATOM 0 HB1 ALA A 76 -6.959 -5.039 4.289 1.00 51.11 H new ATOM 0 HB2 ALA A 76 -6.998 -5.351 6.040 1.00 51.11 H new ATOM 0 HB3 ALA A 76 -5.485 -5.574 5.130 1.00 51.11 H new ATOM 1053 N THR A 77 -6.881 -6.886 2.408 1.00 71.43 N ATOM 1054 CA THR A 77 -6.461 -7.211 1.050 1.00 55.33 C ATOM 1055 C THR A 77 -5.889 -5.986 0.346 1.00 10.10 C ATOM 1056 O THR A 77 -5.994 -4.865 0.844 1.00 23.34 O ATOM 1057 CB THR A 77 -7.632 -7.768 0.219 1.00 3.40 C ATOM 1058 OG1 THR A 77 -8.779 -6.922 0.359 1.00 61.53 O ATOM 1059 CG2 THR A 77 -7.981 -9.182 0.655 1.00 30.54 C ATOM 0 H THR A 77 -7.543 -6.113 2.471 1.00 71.43 H new ATOM 0 HA THR A 77 -5.688 -7.975 1.131 1.00 55.33 H new ATOM 0 HB THR A 77 -7.326 -7.793 -0.827 1.00 3.40 H new ATOM 0 HG1 THR A 77 -9.098 -6.954 1.285 1.00 61.53 H new ATOM 0 HG21 THR A 77 -8.811 -9.554 0.054 1.00 30.54 H new ATOM 0 HG22 THR A 77 -7.115 -9.829 0.518 1.00 30.54 H new ATOM 0 HG23 THR A 77 -8.268 -9.178 1.706 1.00 30.54 H new ATOM 1067 N VAL A 78 -5.285 -6.208 -0.817 1.00 12.33 N ATOM 1068 CA VAL A 78 -4.696 -5.121 -1.592 1.00 41.33 C ATOM 1069 C VAL A 78 -5.711 -4.009 -1.837 1.00 72.10 C ATOM 1070 O VAL A 78 -5.365 -2.827 -1.830 1.00 25.24 O ATOM 1071 CB VAL A 78 -4.165 -5.623 -2.948 1.00 2.51 C ATOM 1072 CG1 VAL A 78 -3.365 -6.903 -2.767 1.00 63.32 C ATOM 1073 CG2 VAL A 78 -5.312 -5.835 -3.924 1.00 22.33 C ATOM 0 H VAL A 78 -5.190 -7.130 -1.243 1.00 12.33 H new ATOM 0 HA VAL A 78 -3.864 -4.729 -1.007 1.00 41.33 H new ATOM 0 HB VAL A 78 -3.502 -4.864 -3.362 1.00 2.51 H new ATOM 0 HG11 VAL A 78 -2.998 -7.243 -3.736 1.00 63.32 H new ATOM 0 HG12 VAL A 78 -2.520 -6.713 -2.105 1.00 63.32 H new ATOM 0 HG13 VAL A 78 -4.003 -7.672 -2.331 1.00 63.32 H new ATOM 0 HG21 VAL A 78 -4.918 -6.190 -4.877 1.00 22.33 H new ATOM 0 HG22 VAL A 78 -6.003 -6.575 -3.519 1.00 22.33 H new ATOM 0 HG23 VAL A 78 -5.838 -4.893 -4.077 1.00 22.33 H new ATOM 1083 N ARG A 79 -6.964 -4.396 -2.051 1.00 51.53 N ATOM 1084 CA ARG A 79 -8.030 -3.431 -2.298 1.00 0.24 C ATOM 1085 C ARG A 79 -8.302 -2.592 -1.054 1.00 34.11 C ATOM 1086 O ARG A 79 -8.563 -1.393 -1.148 1.00 60.22 O ATOM 1087 CB ARG A 79 -9.307 -4.151 -2.731 1.00 54.15 C ATOM 1088 CG ARG A 79 -10.504 -3.226 -2.888 1.00 60.42 C ATOM 1089 CD ARG A 79 -11.366 -3.215 -1.635 1.00 11.40 C ATOM 1090 NE ARG A 79 -12.412 -2.197 -1.701 1.00 31.21 N ATOM 1091 CZ ARG A 79 -13.429 -2.132 -0.848 1.00 4.03 C ATOM 1092 NH1 ARG A 79 -13.536 -3.021 0.129 1.00 34.43 N ATOM 1093 NH2 ARG A 79 -14.340 -1.177 -0.973 1.00 72.15 N ATOM 0 H ARG A 79 -7.266 -5.370 -2.058 1.00 51.53 H new ATOM 0 HA ARG A 79 -7.707 -2.766 -3.099 1.00 0.24 H new ATOM 0 HB2 ARG A 79 -9.124 -4.659 -3.678 1.00 54.15 H new ATOM 0 HB3 ARG A 79 -9.547 -4.921 -1.997 1.00 54.15 H new ATOM 0 HG2 ARG A 79 -10.158 -2.215 -3.102 1.00 60.42 H new ATOM 0 HG3 ARG A 79 -11.103 -3.546 -3.741 1.00 60.42 H new ATOM 0 HD2 ARG A 79 -11.822 -4.196 -1.500 1.00 11.40 H new ATOM 0 HD3 ARG A 79 -10.737 -3.033 -0.764 1.00 11.40 H new ATOM 0 HE ARG A 79 -12.359 -1.498 -2.442 1.00 31.21 H new ATOM 0 HH11 ARG A 79 -12.837 -3.757 0.227 1.00 34.43 H new ATOM 0 HH12 ARG A 79 -14.317 -2.969 0.782 1.00 34.43 H new ATOM 0 HH21 ARG A 79 -14.261 -0.492 -1.724 1.00 72.15 H new ATOM 0 HH22 ARG A 79 -15.120 -1.128 -0.318 1.00 72.15 H new ATOM 1104 N GLU A 80 -8.239 -3.231 0.111 1.00 44.44 N ATOM 1105 CA GLU A 80 -8.481 -2.542 1.373 1.00 1.33 C ATOM 1106 C GLU A 80 -7.407 -1.490 1.633 1.00 12.21 C ATOM 1107 O GLU A 80 -7.712 -0.344 1.962 1.00 45.34 O ATOM 1108 CB GLU A 80 -8.518 -3.546 2.528 1.00 52.41 C ATOM 1109 CG GLU A 80 -9.771 -4.406 2.547 1.00 10.12 C ATOM 1110 CD GLU A 80 -9.676 -5.553 3.534 1.00 4.15 C ATOM 1111 OE1 GLU A 80 -9.572 -5.283 4.748 1.00 33.44 O ATOM 1112 OE2 GLU A 80 -9.704 -6.720 3.091 1.00 32.20 O ATOM 0 H GLU A 80 -8.023 -4.223 0.206 1.00 44.44 H new ATOM 0 HA GLU A 80 -9.447 -2.041 1.305 1.00 1.33 H new ATOM 0 HB2 GLU A 80 -7.644 -4.194 2.463 1.00 52.41 H new ATOM 0 HB3 GLU A 80 -8.445 -3.005 3.471 1.00 52.41 H new ATOM 0 HG2 GLU A 80 -10.630 -3.784 2.800 1.00 10.12 H new ATOM 0 HG3 GLU A 80 -9.949 -4.805 1.548 1.00 10.12 H new ATOM 1117 N MET A 81 -6.148 -1.889 1.484 1.00 13.31 N ATOM 1118 CA MET A 81 -5.028 -0.980 1.703 1.00 43.24 C ATOM 1119 C MET A 81 -5.029 0.142 0.669 1.00 25.14 C ATOM 1120 O MET A 81 -4.747 1.296 0.991 1.00 65.34 O ATOM 1121 CB MET A 81 -3.704 -1.745 1.642 1.00 42.34 C ATOM 1122 CG MET A 81 -2.483 -0.864 1.852 1.00 53.45 C ATOM 1123 SD MET A 81 -0.983 -1.576 1.150 1.00 51.45 S ATOM 1124 CE MET A 81 -0.572 -2.795 2.395 1.00 52.11 C ATOM 0 H MET A 81 -5.878 -2.834 1.213 1.00 13.31 H new ATOM 0 HA MET A 81 -5.139 -0.538 2.693 1.00 43.24 H new ATOM 0 HB2 MET A 81 -3.711 -2.528 2.400 1.00 42.34 H new ATOM 0 HB3 MET A 81 -3.623 -2.239 0.674 1.00 42.34 H new ATOM 0 HG2 MET A 81 -2.662 0.112 1.401 1.00 53.45 H new ATOM 0 HG3 MET A 81 -2.337 -0.700 2.920 1.00 53.45 H new ATOM 0 HE1 MET A 81 0.389 -2.546 2.844 1.00 52.11 H new ATOM 0 HE2 MET A 81 -1.342 -2.801 3.166 1.00 52.11 H new ATOM 0 HE3 MET A 81 -0.513 -3.781 1.933 1.00 52.11 H new ATOM 1132 N ALA A 82 -5.346 -0.206 -0.574 1.00 43.33 N ATOM 1133 CA ALA A 82 -5.384 0.773 -1.654 1.00 43.13 C ATOM 1134 C ALA A 82 -6.549 1.740 -1.477 1.00 54.32 C ATOM 1135 O ALA A 82 -6.374 2.956 -1.551 1.00 43.40 O ATOM 1136 CB ALA A 82 -5.481 0.070 -3.000 1.00 31.52 C ATOM 0 H ALA A 82 -5.580 -1.157 -0.858 1.00 43.33 H new ATOM 0 HA ALA A 82 -4.459 1.349 -1.622 1.00 43.13 H new ATOM 0 HB1 ALA A 82 -5.509 0.813 -3.797 1.00 31.52 H new ATOM 0 HB2 ALA A 82 -4.614 -0.576 -3.136 1.00 31.52 H new ATOM 0 HB3 ALA A 82 -6.390 -0.531 -3.032 1.00 31.52 H new ATOM 1142 N GLU A 83 -7.738 1.193 -1.241 1.00 45.31 N ATOM 1143 CA GLU A 83 -8.931 2.010 -1.056 1.00 31.00 C ATOM 1144 C GLU A 83 -8.765 2.953 0.132 1.00 32.33 C ATOM 1145 O GLU A 83 -9.232 4.091 0.105 1.00 62.15 O ATOM 1146 CB GLU A 83 -10.158 1.120 -0.846 1.00 30.00 C ATOM 1147 CG GLU A 83 -10.768 0.610 -2.141 1.00 50.23 C ATOM 1148 CD GLU A 83 -12.207 1.053 -2.321 1.00 75.25 C ATOM 1149 OE1 GLU A 83 -12.553 2.157 -1.850 1.00 32.41 O ATOM 1150 OE2 GLU A 83 -12.989 0.295 -2.933 1.00 60.41 O ATOM 0 H GLU A 83 -7.900 0.188 -1.174 1.00 45.31 H new ATOM 0 HA GLU A 83 -9.074 2.608 -1.956 1.00 31.00 H new ATOM 0 HB2 GLU A 83 -9.877 0.268 -0.226 1.00 30.00 H new ATOM 0 HB3 GLU A 83 -10.913 1.680 -0.294 1.00 30.00 H new ATOM 0 HG2 GLU A 83 -10.174 0.966 -2.983 1.00 50.23 H new ATOM 0 HG3 GLU A 83 -10.722 -0.479 -2.156 1.00 50.23 H new ATOM 1155 N ALA A 84 -8.096 2.471 1.174 1.00 34.23 N ATOM 1156 CA ALA A 84 -7.866 3.270 2.371 1.00 60.42 C ATOM 1157 C ALA A 84 -6.951 4.453 2.075 1.00 50.40 C ATOM 1158 O ALA A 84 -7.206 5.574 2.516 1.00 12.12 O ATOM 1159 CB ALA A 84 -7.274 2.407 3.476 1.00 55.43 C ATOM 0 H ALA A 84 -7.704 1.530 1.213 1.00 34.23 H new ATOM 0 HA ALA A 84 -8.827 3.662 2.705 1.00 60.42 H new ATOM 0 HB1 ALA A 84 -7.107 3.017 4.364 1.00 55.43 H new ATOM 0 HB2 ALA A 84 -7.964 1.598 3.715 1.00 55.43 H new ATOM 0 HB3 ALA A 84 -6.326 1.987 3.141 1.00 55.43 H new ATOM 1165 N LEU A 85 -5.885 4.197 1.325 1.00 3.32 N ATOM 1166 CA LEU A 85 -4.931 5.241 0.969 1.00 3.43 C ATOM 1167 C LEU A 85 -5.533 6.204 -0.050 1.00 13.15 C ATOM 1168 O LEU A 85 -5.363 7.419 0.055 1.00 22.15 O ATOM 1169 CB LEU A 85 -3.651 4.620 0.406 1.00 71.11 C ATOM 1170 CG LEU A 85 -2.725 3.954 1.424 1.00 13.33 C ATOM 1171 CD1 LEU A 85 -1.621 3.184 0.717 1.00 34.13 C ATOM 1172 CD2 LEU A 85 -2.135 4.992 2.367 1.00 73.31 C ATOM 0 H LEU A 85 -5.660 3.275 0.952 1.00 3.32 H new ATOM 0 HA LEU A 85 -4.689 5.801 1.872 1.00 3.43 H new ATOM 0 HB2 LEU A 85 -3.930 3.878 -0.342 1.00 71.11 H new ATOM 0 HB3 LEU A 85 -3.090 5.399 -0.111 1.00 71.11 H new ATOM 0 HG LEU A 85 -3.311 3.249 2.013 1.00 13.33 H new ATOM 0 HD11 LEU A 85 -0.972 2.717 1.457 1.00 34.13 H new ATOM 0 HD12 LEU A 85 -2.062 2.414 0.084 1.00 34.13 H new ATOM 0 HD13 LEU A 85 -1.036 3.868 0.102 1.00 34.13 H new ATOM 0 HD21 LEU A 85 -1.479 4.500 3.085 1.00 73.31 H new ATOM 0 HD22 LEU A 85 -1.564 5.722 1.793 1.00 73.31 H new ATOM 0 HD23 LEU A 85 -2.940 5.499 2.899 1.00 73.31 H new ATOM 1183 N GLU A 86 -6.239 5.654 -1.032 1.00 24.04 N ATOM 1184 CA GLU A 86 -6.866 6.465 -2.069 1.00 51.24 C ATOM 1185 C GLU A 86 -7.887 7.424 -1.465 1.00 54.21 C ATOM 1186 O GLU A 86 -8.104 8.521 -1.978 1.00 44.52 O ATOM 1187 CB GLU A 86 -7.544 5.569 -3.108 1.00 54.44 C ATOM 1188 CG GLU A 86 -9.033 5.376 -2.866 1.00 32.10 C ATOM 1189 CD GLU A 86 -9.867 6.510 -3.430 1.00 2.33 C ATOM 1190 OE1 GLU A 86 -9.377 7.210 -4.341 1.00 12.20 O ATOM 1191 OE2 GLU A 86 -11.009 6.697 -2.960 1.00 2.40 O ATOM 0 H GLU A 86 -6.391 4.650 -1.132 1.00 24.04 H new ATOM 0 HA GLU A 86 -6.087 7.050 -2.558 1.00 51.24 H new ATOM 0 HB2 GLU A 86 -7.398 6.001 -4.098 1.00 54.44 H new ATOM 0 HB3 GLU A 86 -7.055 4.595 -3.110 1.00 54.44 H new ATOM 0 HG2 GLU A 86 -9.352 4.436 -3.317 1.00 32.10 H new ATOM 0 HG3 GLU A 86 -9.216 5.294 -1.795 1.00 32.10 H new ATOM 1196 N ALA A 87 -8.510 7.004 -0.369 1.00 64.25 N ATOM 1197 CA ALA A 87 -9.506 7.825 0.307 1.00 45.14 C ATOM 1198 C ALA A 87 -8.882 9.100 0.863 1.00 1.33 C ATOM 1199 O ALA A 87 -9.503 10.162 0.853 1.00 54.12 O ATOM 1200 CB ALA A 87 -10.176 7.033 1.421 1.00 32.02 C ATOM 0 H ALA A 87 -8.342 6.099 0.070 1.00 64.25 H new ATOM 0 HA ALA A 87 -10.261 8.111 -0.425 1.00 45.14 H new ATOM 0 HB1 ALA A 87 -10.918 7.659 1.917 1.00 32.02 H new ATOM 0 HB2 ALA A 87 -10.666 6.155 1.000 1.00 32.02 H new ATOM 0 HB3 ALA A 87 -9.425 6.717 2.145 1.00 32.02 H new ATOM 1206 N ARG A 88 -7.649 8.986 1.346 1.00 2.52 N ATOM 1207 CA ARG A 88 -6.941 10.130 1.907 1.00 14.13 C ATOM 1208 C ARG A 88 -6.769 11.230 0.863 1.00 14.01 C ATOM 1209 O ARG A 88 -7.241 12.352 1.046 1.00 61.24 O ATOM 1210 CB ARG A 88 -5.572 9.700 2.440 1.00 65.13 C ATOM 1211 CG ARG A 88 -5.580 8.331 3.101 1.00 3.50 C ATOM 1212 CD ARG A 88 -6.696 8.214 4.127 1.00 32.10 C ATOM 1213 NE ARG A 88 -6.824 9.424 4.936 1.00 73.12 N ATOM 1214 CZ ARG A 88 -7.919 9.739 5.618 1.00 42.40 C ATOM 1215 NH1 ARG A 88 -8.976 8.939 5.589 1.00 64.23 N ATOM 1216 NH2 ARG A 88 -7.959 10.857 6.331 1.00 75.20 N ATOM 0 H ARG A 88 -7.120 8.114 1.360 1.00 2.52 H new ATOM 0 HA ARG A 88 -7.537 10.524 2.730 1.00 14.13 H new ATOM 0 HB2 ARG A 88 -4.857 9.693 1.617 1.00 65.13 H new ATOM 0 HB3 ARG A 88 -5.223 10.440 3.160 1.00 65.13 H new ATOM 0 HG2 ARG A 88 -5.701 7.559 2.341 1.00 3.50 H new ATOM 0 HG3 ARG A 88 -4.619 8.154 3.585 1.00 3.50 H new ATOM 0 HD2 ARG A 88 -7.639 8.018 3.616 1.00 32.10 H new ATOM 0 HD3 ARG A 88 -6.502 7.361 4.778 1.00 32.10 H new ATOM 0 HE ARG A 88 -6.029 10.061 4.979 1.00 73.12 H new ATOM 0 HH11 ARG A 88 -8.950 8.079 5.042 1.00 64.23 H new ATOM 0 HH12 ARG A 88 -9.816 9.184 6.114 1.00 64.23 H new ATOM 0 HH21 ARG A 88 -7.148 11.475 6.356 1.00 75.20 H new ATOM 0 HH22 ARG A 88 -8.801 11.098 6.855 1.00 75.20 H new ATOM 1227 N GLU A 89 -6.089 10.899 -0.230 1.00 11.52 N ATOM 1228 CA GLU A 89 -5.855 11.860 -1.302 1.00 31.42 C ATOM 1229 C GLU A 89 -7.171 12.292 -1.943 1.00 15.33 C ATOM 1230 O GLU A 89 -7.311 13.432 -2.387 1.00 42.43 O ATOM 1231 CB GLU A 89 -4.931 11.257 -2.364 1.00 72.12 C ATOM 1232 CG GLU A 89 -3.528 10.971 -1.857 1.00 62.53 C ATOM 1233 CD GLU A 89 -2.474 11.140 -2.934 1.00 13.41 C ATOM 1234 OE1 GLU A 89 -2.197 10.159 -3.654 1.00 1.54 O ATOM 1235 OE2 GLU A 89 -1.925 12.256 -3.055 1.00 14.30 O ATOM 0 H GLU A 89 -5.691 9.975 -0.397 1.00 11.52 H new ATOM 0 HA GLU A 89 -5.376 12.739 -0.870 1.00 31.42 H new ATOM 0 HB2 GLU A 89 -5.371 10.330 -2.733 1.00 72.12 H new ATOM 0 HB3 GLU A 89 -4.870 11.940 -3.211 1.00 72.12 H new ATOM 0 HG2 GLU A 89 -3.303 11.639 -1.025 1.00 62.53 H new ATOM 0 HG3 GLU A 89 -3.486 9.953 -1.469 1.00 62.53 H new ATOM 1240 N ARG A 90 -8.130 11.374 -1.988 1.00 71.44 N ATOM 1241 CA ARG A 90 -9.434 11.659 -2.576 1.00 33.32 C ATOM 1242 C ARG A 90 -10.142 12.773 -1.811 1.00 50.23 C ATOM 1243 O ARG A 90 -11.006 13.458 -2.356 1.00 54.34 O ATOM 1244 CB ARG A 90 -10.300 10.398 -2.582 1.00 54.15 C ATOM 1245 CG ARG A 90 -11.710 10.631 -3.101 1.00 31.51 C ATOM 1246 CD ARG A 90 -12.740 10.511 -1.988 1.00 23.44 C ATOM 1247 NE ARG A 90 -13.080 11.809 -1.415 1.00 71.11 N ATOM 1248 CZ ARG A 90 -13.631 11.962 -0.215 1.00 31.23 C ATOM 1249 NH1 ARG A 90 -13.900 10.901 0.533 1.00 31.41 N ATOM 1250 NH2 ARG A 90 -13.911 13.176 0.238 1.00 52.43 N ATOM 0 H ARG A 90 -8.029 10.426 -1.625 1.00 71.44 H new ATOM 0 HA ARG A 90 -9.279 11.989 -3.603 1.00 33.32 H new ATOM 0 HB2 ARG A 90 -9.817 9.638 -3.196 1.00 54.15 H new ATOM 0 HB3 ARG A 90 -10.356 10.001 -1.569 1.00 54.15 H new ATOM 0 HG2 ARG A 90 -11.774 11.621 -3.552 1.00 31.51 H new ATOM 0 HG3 ARG A 90 -11.934 9.908 -3.885 1.00 31.51 H new ATOM 0 HD2 ARG A 90 -13.642 10.040 -2.378 1.00 23.44 H new ATOM 0 HD3 ARG A 90 -12.353 9.859 -1.205 1.00 23.44 H new ATOM 0 HE ARG A 90 -12.884 12.645 -1.966 1.00 71.11 H new ATOM 0 HH11 ARG A 90 -13.684 9.966 0.188 1.00 31.41 H new ATOM 0 HH12 ARG A 90 -14.323 11.020 1.454 1.00 31.41 H new ATOM 0 HH21 ARG A 90 -13.704 13.994 -0.334 1.00 52.43 H new ATOM 0 HH22 ARG A 90 -14.334 13.292 1.159 1.00 52.43 H new ATOM 1261 N GLU A 91 -9.771 12.946 -0.547 1.00 72.31 N ATOM 1262 CA GLU A 91 -10.373 13.975 0.292 1.00 55.11 C ATOM 1263 C GLU A 91 -9.467 15.199 0.385 1.00 1.42 C ATOM 1264 O GLU A 91 -9.942 16.330 0.495 1.00 24.03 O ATOM 1265 CB GLU A 91 -10.651 13.426 1.693 1.00 64.21 C ATOM 1266 CG GLU A 91 -11.101 14.485 2.685 1.00 41.22 C ATOM 1267 CD GLU A 91 -11.819 13.895 3.883 1.00 22.11 C ATOM 1268 OE1 GLU A 91 -11.493 12.752 4.265 1.00 52.05 O ATOM 1269 OE2 GLU A 91 -12.706 14.576 4.438 1.00 74.45 O ATOM 0 H GLU A 91 -9.056 12.387 -0.081 1.00 72.31 H new ATOM 0 HA GLU A 91 -11.316 14.275 -0.166 1.00 55.11 H new ATOM 0 HB2 GLU A 91 -11.418 12.654 1.626 1.00 64.21 H new ATOM 0 HB3 GLU A 91 -9.748 12.946 2.071 1.00 64.21 H new ATOM 0 HG2 GLU A 91 -10.233 15.049 3.028 1.00 41.22 H new ATOM 0 HG3 GLU A 91 -11.761 15.191 2.182 1.00 41.22 H new ATOM 1274 N ALA A 92 -8.160 14.965 0.342 1.00 1.22 N ATOM 1275 CA ALA A 92 -7.187 16.048 0.419 1.00 20.25 C ATOM 1276 C ALA A 92 -7.497 17.139 -0.601 1.00 31.43 C ATOM 1277 O ALA A 92 -8.212 16.922 -1.578 1.00 3.55 O ATOM 1278 CB ALA A 92 -5.780 15.510 0.208 1.00 24.14 C ATOM 0 H ALA A 92 -7.750 14.035 0.254 1.00 1.22 H new ATOM 0 HA ALA A 92 -7.250 16.489 1.414 1.00 20.25 H new ATOM 0 HB1 ALA A 92 -5.064 16.330 0.268 1.00 24.14 H new ATOM 0 HB2 ALA A 92 -5.553 14.773 0.978 1.00 24.14 H new ATOM 0 HB3 ALA A 92 -5.713 15.041 -0.774 1.00 24.14 H new ATOM 1284 N PRO A 93 -6.947 18.341 -0.368 1.00 62.13 N ATOM 1285 CA PRO A 93 -7.152 19.490 -1.256 1.00 62.44 C ATOM 1286 C PRO A 93 -6.448 19.318 -2.597 1.00 31.33 C ATOM 1287 O PRO A 93 -6.647 20.109 -3.520 1.00 23.24 O ATOM 1288 CB PRO A 93 -6.539 20.654 -0.475 1.00 1.25 C ATOM 1289 CG PRO A 93 -5.530 20.022 0.420 1.00 22.41 C ATOM 1290 CD PRO A 93 -6.085 18.670 0.779 1.00 4.01 C ATOM 0 HA PRO A 93 -8.204 19.632 -1.504 1.00 62.44 H new ATOM 0 HB2 PRO A 93 -6.075 21.379 -1.144 1.00 1.25 H new ATOM 0 HB3 PRO A 93 -7.297 21.188 0.098 1.00 1.25 H new ATOM 0 HG2 PRO A 93 -4.567 19.928 -0.082 1.00 22.41 H new ATOM 0 HG3 PRO A 93 -5.366 20.626 1.312 1.00 22.41 H new ATOM 0 HD2 PRO A 93 -5.293 17.933 0.911 1.00 4.01 H new ATOM 0 HD3 PRO A 93 -6.650 18.702 1.711 1.00 4.01 H new ATOM 1295 N HIS A 94 -5.623 18.280 -2.699 1.00 61.54 N ATOM 1296 CA HIS A 94 -4.890 18.004 -3.930 1.00 31.13 C ATOM 1297 C HIS A 94 -3.921 19.138 -4.249 1.00 4.54 C ATOM 1298 O HIS A 94 -4.329 20.212 -4.695 1.00 61.41 O ATOM 1299 CB HIS A 94 -5.862 17.805 -5.093 1.00 22.10 C ATOM 1300 CG HIS A 94 -7.004 16.891 -4.771 1.00 33.11 C ATOM 1301 ND1 HIS A 94 -8.306 17.327 -4.654 1.00 42.15 N ATOM 1302 CD2 HIS A 94 -7.033 15.557 -4.541 1.00 1.03 C ATOM 1303 CE1 HIS A 94 -9.088 16.301 -4.364 1.00 1.34 C ATOM 1304 NE2 HIS A 94 -8.339 15.216 -4.292 1.00 30.10 N ATOM 0 H HIS A 94 -5.446 17.617 -1.945 1.00 61.54 H new ATOM 0 HA HIS A 94 -4.316 17.089 -3.786 1.00 31.13 H new ATOM 0 HB2 HIS A 94 -6.258 18.775 -5.395 1.00 22.10 H new ATOM 0 HB3 HIS A 94 -5.316 17.404 -5.947 1.00 22.10 H new ATOM 0 HD2 HIS A 94 -6.186 14.886 -4.552 1.00 1.03 H new ATOM 0 HE1 HIS A 94 -10.156 16.343 -4.212 1.00 1.34 H new ATOM 0 HE2 HIS A 94 -8.676 14.276 -4.085 1.00 30.10 H new ATOM 1311 N LEU A 95 -2.636 18.893 -4.020 1.00 33.03 N ATOM 1312 CA LEU A 95 -1.607 19.894 -4.283 1.00 22.54 C ATOM 1313 C LEU A 95 -0.910 19.621 -5.612 1.00 44.41 C ATOM 1314 O LEU A 95 -1.255 18.677 -6.322 1.00 4.30 O ATOM 1315 CB LEU A 95 -0.579 19.908 -3.150 1.00 71.53 C ATOM 1316 CG LEU A 95 -0.207 21.284 -2.599 1.00 54.31 C ATOM 1317 CD1 LEU A 95 -1.331 21.835 -1.733 1.00 24.14 C ATOM 1318 CD2 LEU A 95 1.090 21.209 -1.807 1.00 11.23 C ATOM 0 H LEU A 95 -2.281 18.010 -3.653 1.00 33.03 H new ATOM 0 HA LEU A 95 -2.090 20.869 -4.339 1.00 22.54 H new ATOM 0 HB2 LEU A 95 -0.964 19.302 -2.330 1.00 71.53 H new ATOM 0 HB3 LEU A 95 0.330 19.423 -3.505 1.00 71.53 H new ATOM 0 HG LEU A 95 -0.058 21.962 -3.440 1.00 54.31 H new ATOM 0 HD11 LEU A 95 -1.048 22.815 -1.350 1.00 24.14 H new ATOM 0 HD12 LEU A 95 -2.238 21.927 -2.330 1.00 24.14 H new ATOM 0 HD13 LEU A 95 -1.513 21.158 -0.898 1.00 24.14 H new ATOM 0 HD21 LEU A 95 1.339 22.198 -1.422 1.00 11.23 H new ATOM 0 HD22 LEU A 95 0.968 20.516 -0.975 1.00 11.23 H new ATOM 0 HD23 LEU A 95 1.893 20.859 -2.456 1.00 11.23 H new ATOM 1329 N GLU A 96 0.073 20.454 -5.941 1.00 41.43 N ATOM 1330 CA GLU A 96 0.818 20.302 -7.184 1.00 4.32 C ATOM 1331 C GLU A 96 1.724 19.075 -7.129 1.00 45.12 C ATOM 1332 O GLU A 96 2.428 18.854 -6.144 1.00 25.34 O ATOM 1333 CB GLU A 96 1.654 21.554 -7.461 1.00 51.32 C ATOM 1334 CG GLU A 96 1.010 22.509 -8.452 1.00 22.13 C ATOM 1335 CD GLU A 96 1.959 23.599 -8.913 1.00 21.44 C ATOM 1336 OE1 GLU A 96 3.064 23.702 -8.340 1.00 5.41 O ATOM 1337 OE2 GLU A 96 1.596 24.346 -9.845 1.00 33.13 O ATOM 0 H GLU A 96 0.371 21.240 -5.364 1.00 41.43 H new ATOM 0 HA GLU A 96 0.100 20.167 -7.993 1.00 4.32 H new ATOM 0 HB2 GLU A 96 1.827 22.080 -6.522 1.00 51.32 H new ATOM 0 HB3 GLU A 96 2.630 21.252 -7.842 1.00 51.32 H new ATOM 0 HG2 GLU A 96 0.660 21.947 -9.318 1.00 22.13 H new ATOM 0 HG3 GLU A 96 0.133 22.966 -7.993 1.00 22.13 H new ATOM 1342 N HIS A 97 1.699 18.281 -8.195 1.00 71.53 N ATOM 1343 CA HIS A 97 2.517 17.075 -8.268 1.00 44.11 C ATOM 1344 C HIS A 97 2.273 16.179 -7.059 1.00 62.51 C ATOM 1345 O HIS A 97 3.001 16.246 -6.068 1.00 73.41 O ATOM 1346 CB HIS A 97 3.998 17.443 -8.356 1.00 51.30 C ATOM 1347 CG HIS A 97 4.353 18.208 -9.594 1.00 72.24 C ATOM 1348 ND1 HIS A 97 5.612 18.719 -9.827 1.00 24.34 N ATOM 1349 CD2 HIS A 97 3.606 18.546 -10.671 1.00 21.41 C ATOM 1350 CE1 HIS A 97 5.624 19.340 -10.993 1.00 62.41 C ATOM 1351 NE2 HIS A 97 4.419 19.249 -11.525 1.00 62.04 N ATOM 0 H HIS A 97 1.122 18.450 -9.019 1.00 71.53 H new ATOM 0 HA HIS A 97 2.233 16.527 -9.166 1.00 44.11 H new ATOM 0 HB2 HIS A 97 4.269 18.036 -7.482 1.00 51.30 H new ATOM 0 HB3 HIS A 97 4.593 16.531 -8.319 1.00 51.30 H new ATOM 0 HD2 HIS A 97 2.565 18.307 -10.829 1.00 21.41 H new ATOM 0 HE1 HIS A 97 6.474 19.837 -11.436 1.00 62.41 H new ATOM 0 HE2 HIS A 97 4.138 19.638 -12.425 1.00 62.04 H new ATOM 1358 N HIS A 98 1.246 15.340 -7.146 1.00 70.21 N ATOM 1359 CA HIS A 98 0.906 14.430 -6.058 1.00 64.51 C ATOM 1360 C HIS A 98 1.084 12.977 -6.489 1.00 21.15 C ATOM 1361 O HIS A 98 1.411 12.112 -5.675 1.00 1.34 O ATOM 1362 CB HIS A 98 -0.533 14.665 -5.598 1.00 65.01 C ATOM 1363 CG HIS A 98 -1.551 14.431 -6.672 1.00 1.24 C ATOM 1364 ND1 HIS A 98 -2.331 13.297 -6.735 1.00 21.41 N ATOM 1365 CD2 HIS A 98 -1.914 15.196 -7.727 1.00 42.41 C ATOM 1366 CE1 HIS A 98 -3.130 13.373 -7.784 1.00 61.11 C ATOM 1367 NE2 HIS A 98 -2.897 14.516 -8.403 1.00 42.42 N ATOM 0 H HIS A 98 0.634 15.271 -7.959 1.00 70.21 H new ATOM 0 HA HIS A 98 1.582 14.630 -5.227 1.00 64.51 H new ATOM 0 HB2 HIS A 98 -0.748 14.008 -4.755 1.00 65.01 H new ATOM 0 HB3 HIS A 98 -0.627 15.689 -5.236 1.00 65.01 H new ATOM 0 HD2 HIS A 98 -1.507 16.161 -7.989 1.00 42.41 H new ATOM 0 HE1 HIS A 98 -3.851 12.627 -8.084 1.00 61.11 H new ATOM 0 HE2 HIS A 98 -3.370 14.841 -9.246 1.00 42.42 H new ATOM 1374 N HIS A 99 0.867 12.715 -7.774 1.00 51.12 N ATOM 1375 CA HIS A 99 1.002 11.367 -8.313 1.00 32.11 C ATOM 1376 C HIS A 99 2.323 11.211 -9.060 1.00 11.22 C ATOM 1377 O HIS A 99 2.863 12.180 -9.597 1.00 65.31 O ATOM 1378 CB HIS A 99 -0.165 11.048 -9.247 1.00 54.02 C ATOM 1379 CG HIS A 99 -0.132 11.815 -10.532 1.00 10.40 C ATOM 1380 ND1 HIS A 99 -0.469 13.150 -10.621 1.00 32.25 N ATOM 1381 CD2 HIS A 99 0.202 11.430 -11.786 1.00 22.41 C ATOM 1382 CE1 HIS A 99 -0.345 13.551 -11.873 1.00 12.25 C ATOM 1383 NE2 HIS A 99 0.063 12.526 -12.601 1.00 52.12 N ATOM 0 H HIS A 99 0.597 13.419 -8.461 1.00 51.12 H new ATOM 0 HA HIS A 99 0.991 10.666 -7.478 1.00 32.11 H new ATOM 0 HB2 HIS A 99 -0.159 9.981 -9.470 1.00 54.02 H new ATOM 0 HB3 HIS A 99 -1.101 11.261 -8.731 1.00 54.02 H new ATOM 0 HD2 HIS A 99 0.519 10.443 -12.089 1.00 22.41 H new ATOM 0 HE1 HIS A 99 -0.543 14.547 -12.240 1.00 12.25 H new ATOM 0 HE2 HIS A 99 0.245 12.546 -13.604 1.00 52.12 H new ATOM 1390 N HIS A 100 2.841 9.987 -9.090 1.00 62.23 N ATOM 1391 CA HIS A 100 4.100 9.705 -9.771 1.00 45.14 C ATOM 1392 C HIS A 100 3.852 9.278 -11.215 1.00 51.03 C ATOM 1393 O HIS A 100 4.269 9.956 -12.155 1.00 14.51 O ATOM 1394 CB HIS A 100 4.871 8.614 -9.030 1.00 21.13 C ATOM 1395 CG HIS A 100 5.793 9.144 -7.974 1.00 43.32 C ATOM 1396 ND1 HIS A 100 5.529 10.286 -7.250 1.00 54.10 N ATOM 1397 CD2 HIS A 100 6.981 8.679 -7.523 1.00 2.43 C ATOM 1398 CE1 HIS A 100 6.515 10.503 -6.398 1.00 33.12 C ATOM 1399 NE2 HIS A 100 7.409 9.542 -6.544 1.00 14.15 N ATOM 0 H HIS A 100 2.408 9.175 -8.651 1.00 62.23 H new ATOM 0 HA HIS A 100 4.694 10.619 -9.777 1.00 45.14 H new ATOM 0 HB2 HIS A 100 4.161 7.928 -8.569 1.00 21.13 H new ATOM 0 HB3 HIS A 100 5.451 8.037 -9.750 1.00 21.13 H new ATOM 0 HD2 HIS A 100 7.496 7.795 -7.868 1.00 2.43 H new ATOM 0 HE1 HIS A 100 6.579 11.326 -5.701 1.00 33.12 H new ATOM 0 HE2 HIS A 100 8.277 9.455 -6.015 1.00 14.15 H new ATOM 1406 N HIS A 101 3.170 8.149 -11.385 1.00 30.40 N ATOM 1407 CA HIS A 101 2.868 7.631 -12.714 1.00 40.34 C ATOM 1408 C HIS A 101 1.375 7.736 -13.011 1.00 54.31 C ATOM 1409 O HIS A 101 0.570 7.995 -12.115 1.00 65.55 O ATOM 1410 CB HIS A 101 3.323 6.176 -12.834 1.00 53.24 C ATOM 1411 CG HIS A 101 3.782 5.804 -14.210 1.00 52.23 C ATOM 1412 ND1 HIS A 101 4.896 6.356 -14.807 1.00 73.53 N ATOM 1413 CD2 HIS A 101 3.271 4.928 -15.107 1.00 43.53 C ATOM 1414 CE1 HIS A 101 5.050 5.836 -16.012 1.00 71.33 C ATOM 1415 NE2 HIS A 101 4.077 4.967 -16.218 1.00 64.32 N ATOM 0 H HIS A 101 2.816 7.576 -10.619 1.00 30.40 H new ATOM 0 HA HIS A 101 3.409 8.234 -13.443 1.00 40.34 H new ATOM 0 HB2 HIS A 101 4.135 5.998 -12.129 1.00 53.24 H new ATOM 0 HB3 HIS A 101 2.501 5.522 -12.545 1.00 53.24 H new ATOM 0 HD2 HIS A 101 2.393 4.313 -14.974 1.00 43.53 H new ATOM 0 HE1 HIS A 101 5.837 6.080 -16.710 1.00 71.33 H new ATOM 0 HE2 HIS A 101 3.946 4.414 -17.065 1.00 64.32 H new ATOM 1422 N HIS A 102 1.011 7.535 -14.274 1.00 61.34 N ATOM 1423 CA HIS A 102 -0.385 7.607 -14.688 1.00 52.42 C ATOM 1424 C HIS A 102 -0.756 6.410 -15.559 1.00 40.31 C ATOM 1425 O HIS A 102 -1.905 6.269 -15.980 1.00 13.03 O ATOM 1426 CB HIS A 102 -0.647 8.907 -15.449 1.00 61.10 C ATOM 1427 CG HIS A 102 0.213 9.074 -16.664 1.00 72.54 C ATOM 1428 ND1 HIS A 102 -0.190 8.702 -17.928 1.00 25.40 N ATOM 1429 CD2 HIS A 102 1.462 9.579 -16.802 1.00 74.55 C ATOM 1430 CE1 HIS A 102 0.773 8.968 -18.792 1.00 35.45 C ATOM 1431 NE2 HIS A 102 1.787 9.501 -18.134 1.00 52.32 N ATOM 0 H HIS A 102 1.664 7.321 -15.028 1.00 61.34 H new ATOM 0 HA HIS A 102 -1.005 7.588 -13.792 1.00 52.42 H new ATOM 0 HB2 HIS A 102 -1.695 8.938 -15.748 1.00 61.10 H new ATOM 0 HB3 HIS A 102 -0.482 9.750 -14.779 1.00 61.10 H new ATOM 0 HD2 HIS A 102 2.086 9.970 -16.012 1.00 74.55 H new ATOM 0 HE1 HIS A 102 0.737 8.782 -19.855 1.00 35.45 H new ATOM 0 HE2 HIS A 102 2.668 9.805 -18.548 1.00 52.32 H new TER 1438 HIS A 102