USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 574 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 51 MET CE :methyl 154:sc= -0.637 (180deg=-1.3) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.424 USER MOD Set 2.1: A 43 ASN : amide:sc= -4.43! C(o=-5.8!,f=-13!) USER MOD Set 2.2: A 44 CYS SG : rot -53:sc= -1.36! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= -1.19 (180deg=-5.84!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.996 K(o=-1,f=-2.3!) USER MOD Single : A 50 CYS SG : rot 64:sc= 0.95 USER MOD Single : A 53 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -122:sc= 0.919 USER MOD Single : A 68 GLN : amide:sc=-6.73e-05 K(o=-6.7e-05,f=-1.7!) USER MOD Single : A 69 GLN : amide:sc= -0.287 K(o=-0.29,f=-1) USER MOD Single : A 71 ASN : amide:sc= -1.36 K(o=-1.4,f=-1.9) USER MOD Single : A 72 MET CE :methyl -162:sc= -0.29 (180deg=-0.877) USER MOD Single : A 73 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.033) USER MOD Single : A 77 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-3.7!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 18 -9.995 -3.856 6.956 1.00 0.00 N ATOM 2 CA SER A 18 -10.760 -3.435 5.747 1.00 0.00 C ATOM 3 C SER A 18 -11.008 -4.648 4.856 1.00 0.00 C ATOM 4 O SER A 18 -10.067 -5.278 4.374 1.00 0.00 O ATOM 5 CB SER A 18 -9.959 -2.381 4.983 1.00 0.00 C ATOM 6 OG SER A 18 -10.446 -2.299 3.649 1.00 0.00 O ATOM 0 HA SER A 18 -11.718 -3.010 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.047 -1.412 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.901 -2.642 4.981 1.00 0.00 H new ATOM 0 HG SER A 18 -9.936 -1.623 3.156 1.00 0.00 H new ATOM 11 N LEU A 19 -12.280 -4.970 4.644 1.00 0.00 N ATOM 12 CA LEU A 19 -12.642 -6.111 3.809 1.00 0.00 C ATOM 13 C LEU A 19 -12.490 -5.765 2.335 1.00 0.00 C ATOM 14 O LEU A 19 -12.730 -4.627 1.930 1.00 0.00 O ATOM 15 CB LEU A 19 -14.091 -6.527 4.086 1.00 0.00 C ATOM 16 CG LEU A 19 -14.158 -7.328 5.388 1.00 0.00 C ATOM 17 CD1 LEU A 19 -13.720 -6.444 6.561 1.00 0.00 C ATOM 18 CD2 LEU A 19 -15.593 -7.808 5.613 1.00 0.00 C ATOM 0 H LEU A 19 -13.073 -4.461 5.035 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.973 -6.937 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.726 -5.644 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.472 -7.126 3.259 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.492 -8.188 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.769 -7.017 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.697 -6.104 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.382 -5.581 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.644 -8.379 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.258 -6.947 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.900 -8.440 4.780 1.00 0.00 H new ATOM 30 N ARG A 20 -12.086 -6.753 1.546 1.00 0.00 N ATOM 31 CA ARG A 20 -11.891 -6.555 0.116 1.00 0.00 C ATOM 32 C ARG A 20 -11.336 -7.822 -0.533 1.00 0.00 C ATOM 33 O ARG A 20 -11.918 -8.340 -1.489 1.00 0.00 O ATOM 34 CB ARG A 20 -10.921 -5.363 -0.127 1.00 0.00 C ATOM 35 CG ARG A 20 -11.655 -4.196 -0.795 1.00 0.00 C ATOM 36 CD ARG A 20 -11.855 -4.517 -2.279 1.00 0.00 C ATOM 37 NE ARG A 20 -10.609 -4.311 -3.005 1.00 0.00 N ATOM 38 CZ ARG A 20 -10.442 -4.795 -4.231 1.00 0.00 C ATOM 39 NH1 ARG A 20 -11.401 -5.473 -4.802 1.00 0.00 N ATOM 40 NH2 ARG A 20 -9.319 -4.595 -4.862 1.00 0.00 N ATOM 0 H ARG A 20 -11.887 -7.699 1.872 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.856 -6.330 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.494 -5.036 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.091 -5.685 -0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.618 -4.031 -0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.081 -3.276 -0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.187 -5.549 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.637 -3.882 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.853 -3.787 -2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.279 -5.631 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.272 -5.844 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.570 -4.067 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.190 -4.966 -5.803 1.00 0.00 H new ATOM 54 N PRO A 21 -10.223 -8.308 -0.047 1.00 0.00 N ATOM 55 CA PRO A 21 -9.577 -9.529 -0.607 1.00 0.00 C ATOM 56 C PRO A 21 -10.395 -10.785 -0.329 1.00 0.00 C ATOM 57 O PRO A 21 -10.251 -11.790 -1.016 1.00 0.00 O ATOM 58 CB PRO A 21 -8.214 -9.575 0.106 1.00 0.00 C ATOM 59 CG PRO A 21 -8.421 -8.829 1.387 1.00 0.00 C ATOM 60 CD PRO A 21 -9.453 -7.756 1.092 1.00 0.00 C ATOM 0 HA PRO A 21 -9.487 -9.492 -1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.901 -10.602 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.436 -9.111 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.769 -9.497 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.488 -8.386 1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.093 -7.569 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.981 -6.808 0.834 1.00 0.00 H new ATOM 68 N GLU A 22 -11.246 -10.720 0.688 1.00 0.00 N ATOM 69 CA GLU A 22 -12.076 -11.864 1.050 1.00 0.00 C ATOM 70 C GLU A 22 -13.388 -11.832 0.275 1.00 0.00 C ATOM 71 O GLU A 22 -14.069 -12.847 0.154 1.00 0.00 O ATOM 72 CB GLU A 22 -12.367 -11.847 2.550 1.00 0.00 C ATOM 73 CG GLU A 22 -11.077 -12.136 3.320 1.00 0.00 C ATOM 74 CD GLU A 22 -11.333 -12.039 4.821 1.00 0.00 C ATOM 75 OE1 GLU A 22 -12.450 -11.718 5.191 1.00 0.00 O ATOM 76 OE2 GLU A 22 -10.409 -12.289 5.577 1.00 0.00 O ATOM 0 H GLU A 22 -11.380 -9.895 1.273 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.536 -12.777 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.769 -10.877 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.124 -12.593 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.709 -13.131 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.303 -11.427 3.028 1.00 0.00 H new ATOM 83 N GLU A 23 -13.734 -10.658 -0.250 1.00 0.00 N ATOM 84 CA GLU A 23 -14.966 -10.503 -1.013 1.00 0.00 C ATOM 85 C GLU A 23 -14.716 -10.788 -2.490 1.00 0.00 C ATOM 86 O GLU A 23 -15.555 -11.386 -3.162 1.00 0.00 O ATOM 87 CB GLU A 23 -15.507 -9.082 -0.851 1.00 0.00 C ATOM 88 CG GLU A 23 -16.924 -9.007 -1.430 1.00 0.00 C ATOM 89 CD GLU A 23 -17.896 -9.748 -0.517 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.505 -10.077 0.590 1.00 0.00 O ATOM 91 OE2 GLU A 23 -19.013 -9.988 -0.944 1.00 0.00 O ATOM 0 H GLU A 23 -13.181 -9.806 -0.161 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.699 -11.215 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.518 -8.803 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.856 -8.373 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.230 -7.966 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.942 -9.445 -2.428 1.00 0.00 H new ATOM 98 N ILE A 24 -13.563 -10.350 -2.993 1.00 0.00 N ATOM 99 CA ILE A 24 -13.232 -10.555 -4.397 1.00 0.00 C ATOM 100 C ILE A 24 -13.163 -12.044 -4.723 1.00 0.00 C ATOM 101 O ILE A 24 -13.566 -12.474 -5.805 1.00 0.00 O ATOM 102 CB ILE A 24 -11.887 -9.896 -4.710 1.00 0.00 C ATOM 103 CG1 ILE A 24 -11.676 -9.856 -6.227 1.00 0.00 C ATOM 104 CG2 ILE A 24 -10.755 -10.698 -4.064 1.00 0.00 C ATOM 105 CD1 ILE A 24 -10.452 -8.999 -6.556 1.00 0.00 C ATOM 0 H ILE A 24 -12.851 -9.857 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.013 -10.102 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.885 -8.881 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.538 -10.867 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.560 -9.447 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.799 -10.225 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.900 -10.727 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.759 -11.714 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.305 -8.973 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.608 -7.985 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.570 -9.427 -6.080 1.00 0.00 H new ATOM 117 N GLU A 25 -12.651 -12.825 -3.780 1.00 0.00 N ATOM 118 CA GLU A 25 -12.532 -14.264 -3.978 1.00 0.00 C ATOM 119 C GLU A 25 -13.907 -14.888 -4.185 1.00 0.00 C ATOM 120 O GLU A 25 -14.058 -15.834 -4.957 1.00 0.00 O ATOM 121 CB GLU A 25 -11.852 -14.904 -2.763 1.00 0.00 C ATOM 122 CG GLU A 25 -10.396 -14.436 -2.685 1.00 0.00 C ATOM 123 CD GLU A 25 -9.593 -15.029 -3.837 1.00 0.00 C ATOM 124 OE1 GLU A 25 -10.118 -15.896 -4.516 1.00 0.00 O ATOM 125 OE2 GLU A 25 -8.459 -14.617 -4.016 1.00 0.00 O ATOM 0 H GLU A 25 -12.314 -12.490 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.927 -14.444 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.382 -14.631 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.892 -15.990 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.353 -13.348 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.959 -14.738 -1.733 1.00 0.00 H new ATOM 132 N GLU A 26 -14.906 -14.351 -3.493 1.00 0.00 N ATOM 133 CA GLU A 26 -16.265 -14.868 -3.612 1.00 0.00 C ATOM 134 C GLU A 26 -16.792 -14.654 -5.027 1.00 0.00 C ATOM 135 O GLU A 26 -17.359 -15.561 -5.634 1.00 0.00 O ATOM 136 CB GLU A 26 -17.178 -14.157 -2.610 1.00 0.00 C ATOM 137 CG GLU A 26 -16.701 -14.451 -1.186 1.00 0.00 C ATOM 138 CD GLU A 26 -16.870 -15.933 -0.871 1.00 0.00 C ATOM 139 OE1 GLU A 26 -17.638 -16.580 -1.564 1.00 0.00 O ATOM 140 OE2 GLU A 26 -16.230 -16.398 0.057 1.00 0.00 O ATOM 0 H GLU A 26 -14.803 -13.566 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.253 -15.937 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.169 -13.083 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.207 -14.494 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.654 -14.166 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.269 -13.853 -0.473 1.00 0.00 H new ATOM 147 N LEU A 27 -16.595 -13.451 -5.550 1.00 0.00 N ATOM 148 CA LEU A 27 -17.049 -13.131 -6.899 1.00 0.00 C ATOM 149 C LEU A 27 -16.304 -13.972 -7.925 1.00 0.00 C ATOM 150 O LEU A 27 -16.882 -14.406 -8.920 1.00 0.00 O ATOM 151 CB LEU A 27 -16.835 -11.635 -7.191 1.00 0.00 C ATOM 152 CG LEU A 27 -17.997 -10.810 -6.623 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.929 -10.808 -5.099 1.00 0.00 C ATOM 154 CD2 LEU A 27 -17.903 -9.379 -7.144 1.00 0.00 C ATOM 0 H LEU A 27 -16.127 -12.685 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.113 -13.357 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.895 -11.303 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.758 -11.475 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 27 -18.943 -11.250 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.756 -10.221 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.999 -11.831 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.984 -10.370 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.728 -8.790 -6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.956 -8.939 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.958 -9.384 -8.233 1.00 0.00 H new ATOM 166 N ARG A 28 -15.022 -14.190 -7.681 1.00 0.00 N ATOM 167 CA ARG A 28 -14.204 -14.971 -8.598 1.00 0.00 C ATOM 168 C ARG A 28 -14.842 -16.337 -8.831 1.00 0.00 C ATOM 169 O ARG A 28 -14.875 -16.832 -9.957 1.00 0.00 O ATOM 170 CB ARG A 28 -12.798 -15.149 -8.020 1.00 0.00 C ATOM 171 CG ARG A 28 -11.911 -15.864 -9.041 1.00 0.00 C ATOM 172 CD ARG A 28 -10.503 -16.030 -8.471 1.00 0.00 C ATOM 173 NE ARG A 28 -10.519 -16.962 -7.350 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.414 -17.228 -6.664 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.289 -16.653 -6.988 1.00 0.00 N ATOM 176 NH2 ARG A 28 -9.452 -18.068 -5.665 1.00 0.00 N ATOM 0 H ARG A 28 -14.526 -13.840 -6.861 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.136 -14.442 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.371 -14.178 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.844 -15.725 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.333 -16.839 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.874 -15.293 -9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.830 -16.395 -9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.119 -15.064 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.394 -17.417 -7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.257 -15.998 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.441 -16.858 -6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.331 -18.520 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.603 -18.272 -5.138 1.00 0.00 H new ATOM 190 N GLU A 29 -15.349 -16.937 -7.761 1.00 0.00 N ATOM 191 CA GLU A 29 -15.987 -18.245 -7.866 1.00 0.00 C ATOM 192 C GLU A 29 -17.317 -18.134 -8.605 1.00 0.00 C ATOM 193 O GLU A 29 -17.649 -18.980 -9.435 1.00 0.00 O ATOM 194 CB GLU A 29 -16.221 -18.827 -6.471 1.00 0.00 C ATOM 195 CG GLU A 29 -16.783 -20.244 -6.595 1.00 0.00 C ATOM 196 CD GLU A 29 -16.924 -20.871 -5.212 1.00 0.00 C ATOM 197 OE1 GLU A 29 -16.327 -20.349 -4.284 1.00 0.00 O ATOM 198 OE2 GLU A 29 -17.628 -21.861 -5.100 1.00 0.00 O ATOM 0 H GLU A 29 -15.332 -16.545 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.327 -18.906 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.286 -18.843 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.915 -18.197 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.753 -20.217 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.124 -20.853 -7.214 1.00 0.00 H new ATOM 205 N ALA A 30 -18.073 -17.084 -8.298 1.00 0.00 N ATOM 206 CA ALA A 30 -19.363 -16.871 -8.942 1.00 0.00 C ATOM 207 C ALA A 30 -19.185 -16.634 -10.438 1.00 0.00 C ATOM 208 O ALA A 30 -19.861 -17.254 -11.254 1.00 0.00 O ATOM 209 CB ALA A 30 -20.068 -15.671 -8.312 1.00 0.00 C ATOM 0 H ALA A 30 -17.817 -16.373 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.971 -17.765 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.031 -15.518 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.224 -15.857 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.453 -14.780 -8.438 1.00 0.00 H new ATOM 215 N PHE A 31 -18.274 -15.741 -10.788 1.00 0.00 N ATOM 216 CA PHE A 31 -18.017 -15.431 -12.188 1.00 0.00 C ATOM 217 C PHE A 31 -17.632 -16.693 -12.948 1.00 0.00 C ATOM 218 O PHE A 31 -18.150 -16.958 -14.029 1.00 0.00 O ATOM 219 CB PHE A 31 -16.885 -14.409 -12.292 1.00 0.00 C ATOM 220 CG PHE A 31 -16.663 -14.051 -13.742 1.00 0.00 C ATOM 221 CD1 PHE A 31 -15.906 -14.896 -14.565 1.00 0.00 C ATOM 222 CD2 PHE A 31 -17.206 -12.872 -14.266 1.00 0.00 C ATOM 223 CE1 PHE A 31 -15.693 -14.560 -15.909 1.00 0.00 C ATOM 224 CE2 PHE A 31 -16.995 -12.536 -15.609 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.237 -13.381 -16.432 1.00 0.00 C ATOM 0 H PHE A 31 -17.701 -15.218 -10.126 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.925 -15.016 -12.626 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -17.134 -13.515 -11.719 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.970 -14.818 -11.863 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.487 -15.807 -14.163 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -17.789 -12.220 -13.633 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -15.109 -15.211 -16.542 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.416 -11.626 -16.011 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.073 -13.123 -17.468 1.00 0.00 H new ATOM 235 N ARG A 32 -16.724 -17.468 -12.373 1.00 0.00 N ATOM 236 CA ARG A 32 -16.279 -18.701 -13.009 1.00 0.00 C ATOM 237 C ARG A 32 -17.415 -19.713 -13.081 1.00 0.00 C ATOM 238 O ARG A 32 -17.607 -20.372 -14.102 1.00 0.00 O ATOM 239 CB ARG A 32 -15.101 -19.299 -12.232 1.00 0.00 C ATOM 240 CG ARG A 32 -14.566 -20.533 -12.964 1.00 0.00 C ATOM 241 CD ARG A 32 -13.393 -21.125 -12.184 1.00 0.00 C ATOM 242 NE ARG A 32 -12.295 -20.168 -12.122 1.00 0.00 N ATOM 243 CZ ARG A 32 -11.573 -19.878 -13.199 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.843 -20.452 -14.339 1.00 0.00 N ATOM 245 NH2 ARG A 32 -10.594 -19.018 -13.116 1.00 0.00 N ATOM 0 H ARG A 32 -16.284 -17.268 -11.475 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.959 -18.465 -14.024 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.310 -18.557 -12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.419 -19.572 -11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.356 -21.276 -13.071 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.246 -20.261 -13.970 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.713 -21.388 -11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.057 -22.045 -12.662 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.077 -19.713 -11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.608 -21.123 -14.403 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.289 -20.229 -15.166 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.384 -18.569 -12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.039 -18.795 -13.943 1.00 0.00 H new ATOM 259 N GLU A 33 -18.157 -19.834 -11.989 1.00 0.00 N ATOM 260 CA GLU A 33 -19.268 -20.773 -11.933 1.00 0.00 C ATOM 261 C GLU A 33 -20.353 -20.382 -12.929 1.00 0.00 C ATOM 262 O GLU A 33 -21.150 -21.214 -13.351 1.00 0.00 O ATOM 263 CB GLU A 33 -19.855 -20.808 -10.521 1.00 0.00 C ATOM 264 CG GLU A 33 -20.932 -21.891 -10.443 1.00 0.00 C ATOM 265 CD GLU A 33 -21.448 -22.010 -9.014 1.00 0.00 C ATOM 266 OE1 GLU A 33 -21.736 -20.984 -8.420 1.00 0.00 O ATOM 267 OE2 GLU A 33 -21.546 -23.127 -8.531 1.00 0.00 O ATOM 0 H GLU A 33 -18.011 -19.297 -11.134 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.893 -21.763 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.069 -21.009 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.282 -19.837 -10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.754 -21.647 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.523 -22.846 -10.772 1.00 0.00 H new ATOM 274 N PHE A 34 -20.370 -19.105 -13.305 1.00 0.00 N ATOM 275 CA PHE A 34 -21.354 -18.601 -14.260 1.00 0.00 C ATOM 276 C PHE A 34 -20.725 -18.450 -15.637 1.00 0.00 C ATOM 277 O PHE A 34 -21.391 -18.019 -16.580 1.00 0.00 O ATOM 278 CB PHE A 34 -21.906 -17.248 -13.777 1.00 0.00 C ATOM 279 CG PHE A 34 -23.064 -17.477 -12.830 1.00 0.00 C ATOM 280 CD1 PHE A 34 -22.854 -18.123 -11.606 1.00 0.00 C ATOM 281 CD2 PHE A 34 -24.350 -17.048 -13.184 1.00 0.00 C ATOM 282 CE1 PHE A 34 -23.929 -18.336 -10.737 1.00 0.00 C ATOM 283 CE2 PHE A 34 -25.420 -17.262 -12.315 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.211 -17.905 -11.093 1.00 0.00 C ATOM 0 H PHE A 34 -19.715 -18.402 -12.964 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.175 -19.315 -14.330 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.121 -16.682 -13.276 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.233 -16.653 -14.630 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -21.864 -18.456 -11.333 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -24.513 -16.552 -14.129 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -23.769 -18.833 -9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -26.411 -16.930 -12.587 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.041 -18.070 -10.422 1.00 0.00 H new ATOM 294 N ASP A 35 -19.441 -18.789 -15.752 1.00 0.00 N ATOM 295 CA ASP A 35 -18.758 -18.658 -17.029 1.00 0.00 C ATOM 296 C ASP A 35 -19.529 -19.381 -18.130 1.00 0.00 C ATOM 297 O ASP A 35 -19.773 -18.817 -19.200 1.00 0.00 O ATOM 298 CB ASP A 35 -17.353 -19.248 -16.919 1.00 0.00 C ATOM 299 CG ASP A 35 -16.452 -18.680 -18.008 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.954 -17.941 -18.838 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.272 -18.976 -17.987 1.00 0.00 O ATOM 0 H ASP A 35 -18.866 -19.149 -14.990 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.696 -17.600 -17.284 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.934 -19.025 -15.938 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.400 -20.334 -17.006 1.00 0.00 H new ATOM 306 N LYS A 36 -19.899 -20.630 -17.861 1.00 0.00 N ATOM 307 CA LYS A 36 -20.639 -21.429 -18.835 1.00 0.00 C ATOM 308 C LYS A 36 -19.864 -21.510 -20.133 1.00 0.00 C ATOM 309 O LYS A 36 -20.393 -21.158 -21.180 1.00 0.00 O ATOM 310 CB LYS A 36 -22.002 -20.791 -19.112 1.00 0.00 C ATOM 311 CG LYS A 36 -22.888 -20.939 -17.880 1.00 0.00 C ATOM 312 CD LYS A 36 -24.252 -20.304 -18.155 1.00 0.00 C ATOM 313 CE LYS A 36 -25.149 -20.476 -16.929 1.00 0.00 C ATOM 314 NZ LYS A 36 -26.485 -19.878 -17.205 1.00 0.00 N ATOM 0 H LYS A 36 -19.700 -21.109 -16.983 1.00 0.00 H new ATOM 0 HA LYS A 36 -20.779 -22.430 -18.426 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -21.879 -19.737 -19.361 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -22.472 -21.269 -19.972 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -23.009 -21.993 -17.630 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -22.418 -20.460 -17.021 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -24.133 -19.246 -18.386 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -24.714 -20.770 -19.025 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -25.255 -21.534 -16.688 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -24.695 -19.995 -16.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.096 -19.994 -16.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.375 -18.865 -17.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -26.918 -20.356 -18.021 1.00 0.00 H new ATOM 328 N ASP A 37 -18.616 -21.985 -20.051 1.00 0.00 N ATOM 329 CA ASP A 37 -17.757 -22.118 -21.235 1.00 0.00 C ATOM 330 C ASP A 37 -16.282 -22.188 -20.827 1.00 0.00 C ATOM 331 O ASP A 37 -15.439 -22.645 -21.597 1.00 0.00 O ATOM 332 CB ASP A 37 -17.956 -20.912 -22.177 1.00 0.00 C ATOM 333 CG ASP A 37 -18.139 -19.643 -21.346 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.793 -19.677 -20.177 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.626 -18.663 -21.885 1.00 0.00 O ATOM 0 H ASP A 37 -18.178 -22.283 -19.179 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.034 -23.038 -21.749 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.095 -20.806 -22.837 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.827 -21.073 -22.812 1.00 0.00 H new ATOM 340 N LYS A 38 -15.979 -21.732 -19.622 1.00 0.00 N ATOM 341 CA LYS A 38 -14.625 -21.740 -19.133 1.00 0.00 C ATOM 342 C LYS A 38 -13.686 -21.050 -20.110 1.00 0.00 C ATOM 343 O LYS A 38 -12.526 -21.435 -20.234 1.00 0.00 O ATOM 344 CB LYS A 38 -14.171 -23.184 -18.890 1.00 0.00 C ATOM 345 CG LYS A 38 -13.197 -23.228 -17.715 1.00 0.00 C ATOM 346 CD LYS A 38 -13.941 -22.936 -16.387 1.00 0.00 C ATOM 347 CE LYS A 38 -13.258 -23.680 -15.238 1.00 0.00 C ATOM 348 NZ LYS A 38 -11.862 -23.188 -15.087 1.00 0.00 N ATOM 0 H LYS A 38 -16.662 -21.351 -18.967 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.594 -21.189 -18.193 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.034 -23.817 -18.683 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.693 -23.580 -19.786 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.721 -24.207 -17.665 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.404 -22.495 -17.864 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.943 -21.864 -16.188 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.982 -23.248 -16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.811 -23.526 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.258 -24.752 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.198 -23.966 -15.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.690 -22.417 -15.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.721 -22.836 -14.119 1.00 0.00 H new ATOM 362 N ASP A 39 -14.185 -20.020 -20.778 1.00 0.00 N ATOM 363 CA ASP A 39 -13.377 -19.271 -21.729 1.00 0.00 C ATOM 364 C ASP A 39 -12.868 -17.983 -21.086 1.00 0.00 C ATOM 365 O ASP A 39 -12.148 -17.213 -21.716 1.00 0.00 O ATOM 366 CB ASP A 39 -14.203 -18.940 -22.972 1.00 0.00 C ATOM 367 CG ASP A 39 -15.470 -18.197 -22.569 1.00 0.00 C ATOM 368 OD1 ASP A 39 -15.566 -17.814 -21.416 1.00 0.00 O ATOM 369 OD2 ASP A 39 -16.325 -18.022 -23.421 1.00 0.00 O ATOM 0 H ASP A 39 -15.143 -19.685 -20.679 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.523 -19.882 -22.022 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.616 -18.330 -23.658 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.461 -19.857 -23.502 1.00 0.00 H new ATOM 374 N GLY A 40 -13.258 -17.759 -19.831 1.00 0.00 N ATOM 375 CA GLY A 40 -12.839 -16.564 -19.109 1.00 0.00 C ATOM 376 C GLY A 40 -13.551 -15.352 -19.661 1.00 0.00 C ATOM 377 O GLY A 40 -12.942 -14.299 -19.860 1.00 0.00 O ATOM 0 H GLY A 40 -13.860 -18.387 -19.298 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.060 -16.674 -18.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.760 -16.435 -19.198 1.00 0.00 H new ATOM 381 N TYR A 41 -14.850 -15.504 -19.900 1.00 0.00 N ATOM 382 CA TYR A 41 -15.652 -14.392 -20.439 1.00 0.00 C ATOM 383 C TYR A 41 -17.141 -14.689 -20.351 1.00 0.00 C ATOM 384 O TYR A 41 -17.551 -15.844 -20.365 1.00 0.00 O ATOM 385 CB TYR A 41 -15.281 -14.149 -21.913 1.00 0.00 C ATOM 386 CG TYR A 41 -13.989 -13.368 -22.001 1.00 0.00 C ATOM 387 CD1 TYR A 41 -13.964 -12.024 -21.614 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.821 -13.987 -22.463 1.00 0.00 C ATOM 389 CE1 TYR A 41 -12.769 -11.298 -21.687 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.628 -13.261 -22.537 1.00 0.00 C ATOM 391 CZ TYR A 41 -11.602 -11.916 -22.150 1.00 0.00 C ATOM 392 OH TYR A 41 -10.425 -11.201 -22.221 1.00 0.00 O ATOM 0 H TYR A 41 -15.369 -16.366 -19.735 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.435 -13.506 -19.842 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.175 -15.102 -22.431 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -16.081 -13.602 -22.412 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.866 -11.547 -21.259 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.841 -15.025 -22.762 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.748 -10.261 -21.386 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.727 -13.738 -22.893 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.711 -11.779 -22.562 1.00 0.00 H new ATOM 402 N ILE A 42 -17.948 -13.633 -20.263 1.00 0.00 N ATOM 403 CA ILE A 42 -19.401 -13.792 -20.180 1.00 0.00 C ATOM 404 C ILE A 42 -20.096 -12.581 -20.778 1.00 0.00 C ATOM 405 O ILE A 42 -19.440 -11.656 -21.229 1.00 0.00 O ATOM 406 CB ILE A 42 -19.829 -13.964 -18.720 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.372 -12.756 -17.901 1.00 0.00 C ATOM 408 CG2 ILE A 42 -19.199 -15.230 -18.151 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.894 -12.882 -16.471 1.00 0.00 C ATOM 0 H ILE A 42 -17.625 -12.666 -20.247 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.687 -14.680 -20.743 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.915 -14.042 -18.671 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.284 -12.696 -17.898 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.741 -11.836 -18.354 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.504 -15.353 -17.112 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.529 -16.093 -18.730 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.113 -15.152 -18.204 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.568 -12.021 -15.888 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.983 -12.921 -16.483 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.504 -13.794 -16.020 1.00 0.00 H new ATOM 421 N ASN A 43 -21.424 -12.596 -20.776 1.00 0.00 N ATOM 422 CA ASN A 43 -22.209 -11.479 -21.317 1.00 0.00 C ATOM 423 C ASN A 43 -23.299 -11.072 -20.332 1.00 0.00 C ATOM 424 O ASN A 43 -23.544 -11.764 -19.341 1.00 0.00 O ATOM 425 CB ASN A 43 -22.827 -11.874 -22.658 1.00 0.00 C ATOM 426 CG ASN A 43 -23.839 -10.822 -23.101 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.487 -9.659 -23.283 1.00 0.00 O ATOM 428 ND2 ASN A 43 -25.089 -11.162 -23.274 1.00 0.00 N ATOM 0 H ASN A 43 -21.984 -13.365 -20.408 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.547 -10.627 -21.472 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.045 -11.977 -23.411 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -23.315 -12.845 -22.570 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -25.773 -10.462 -23.560 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -25.380 -12.128 -23.123 1.00 0.00 H new ATOM 435 N CYS A 44 -23.934 -9.939 -20.602 1.00 0.00 N ATOM 436 CA CYS A 44 -24.988 -9.433 -19.734 1.00 0.00 C ATOM 437 C CYS A 44 -26.051 -10.504 -19.502 1.00 0.00 C ATOM 438 O CYS A 44 -26.950 -10.330 -18.680 1.00 0.00 O ATOM 439 CB CYS A 44 -25.628 -8.186 -20.367 1.00 0.00 C ATOM 440 SG CYS A 44 -25.639 -8.361 -22.167 1.00 0.00 S ATOM 0 H CYS A 44 -23.738 -9.354 -21.414 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.551 -9.165 -18.772 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.645 -8.059 -19.997 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.071 -7.294 -20.081 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.437 -8.630 -22.584 1.00 0.00 H new ATOM 446 N ARG A 45 -25.950 -11.605 -20.236 1.00 0.00 N ATOM 447 CA ARG A 45 -26.919 -12.688 -20.102 1.00 0.00 C ATOM 448 C ARG A 45 -26.819 -13.340 -18.727 1.00 0.00 C ATOM 449 O ARG A 45 -27.824 -13.528 -18.045 1.00 0.00 O ATOM 450 CB ARG A 45 -26.673 -13.731 -21.196 1.00 0.00 C ATOM 451 CG ARG A 45 -25.316 -14.402 -20.972 1.00 0.00 C ATOM 452 CD ARG A 45 -24.929 -15.199 -22.213 1.00 0.00 C ATOM 453 NE ARG A 45 -23.631 -15.841 -22.008 1.00 0.00 N ATOM 454 CZ ARG A 45 -23.535 -17.031 -21.427 1.00 0.00 C ATOM 455 NH1 ARG A 45 -24.610 -17.649 -21.018 1.00 0.00 N ATOM 456 NH2 ARG A 45 -22.363 -17.584 -21.259 1.00 0.00 N ATOM 0 H ARG A 45 -25.215 -11.772 -20.924 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.922 -12.275 -20.210 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -27.466 -14.479 -21.184 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.697 -13.256 -22.177 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -24.557 -13.649 -20.760 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.363 -15.060 -20.105 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -25.688 -15.953 -22.423 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -24.886 -14.540 -23.080 1.00 0.00 H new ATOM 0 HE ARG A 45 -22.783 -15.365 -22.317 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -25.526 -17.218 -21.145 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -24.534 -18.563 -20.572 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.521 -17.101 -21.574 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.290 -18.498 -20.813 1.00 0.00 H new ATOM 470 N ASP A 46 -25.599 -13.685 -18.328 1.00 0.00 N ATOM 471 CA ASP A 46 -25.376 -14.323 -17.035 1.00 0.00 C ATOM 472 C ASP A 46 -25.306 -13.287 -15.935 1.00 0.00 C ATOM 473 O ASP A 46 -25.405 -13.616 -14.754 1.00 0.00 O ATOM 474 CB ASP A 46 -24.074 -15.133 -17.076 1.00 0.00 C ATOM 475 CG ASP A 46 -24.240 -16.358 -17.974 1.00 0.00 C ATOM 476 OD1 ASP A 46 -25.369 -16.685 -18.296 1.00 0.00 O ATOM 477 OD2 ASP A 46 -23.233 -16.953 -18.323 1.00 0.00 O ATOM 0 H ASP A 46 -24.753 -13.535 -18.878 1.00 0.00 H new ATOM 0 HA ASP A 46 -26.211 -14.992 -16.826 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.261 -14.509 -17.447 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.801 -15.446 -16.068 1.00 0.00 H new ATOM 482 N LEU A 47 -25.139 -12.032 -16.325 1.00 0.00 N ATOM 483 CA LEU A 47 -25.054 -10.956 -15.354 1.00 0.00 C ATOM 484 C LEU A 47 -26.350 -10.862 -14.556 1.00 0.00 C ATOM 485 O LEU A 47 -26.330 -10.660 -13.345 1.00 0.00 O ATOM 486 CB LEU A 47 -24.797 -9.624 -16.066 1.00 0.00 C ATOM 487 CG LEU A 47 -24.635 -8.496 -15.031 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.340 -8.701 -14.227 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.590 -7.153 -15.755 1.00 0.00 C ATOM 0 H LEU A 47 -25.060 -11.737 -17.298 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.229 -11.168 -14.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.899 -9.698 -16.679 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.624 -9.396 -16.738 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.480 -8.511 -14.343 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -23.234 -7.898 -13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.381 -9.659 -13.709 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.486 -8.691 -14.904 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.475 -6.350 -15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.746 -7.140 -16.445 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.516 -7.008 -16.311 1.00 0.00 H new ATOM 501 N GLY A 48 -27.478 -10.997 -15.243 1.00 0.00 N ATOM 502 CA GLY A 48 -28.771 -10.915 -14.584 1.00 0.00 C ATOM 503 C GLY A 48 -29.110 -12.226 -13.888 1.00 0.00 C ATOM 504 O GLY A 48 -30.080 -12.302 -13.134 1.00 0.00 O ATOM 0 H GLY A 48 -27.522 -11.162 -16.249 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.762 -10.104 -13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.543 -10.677 -15.316 1.00 0.00 H new ATOM 508 N ASN A 49 -28.302 -13.259 -14.141 1.00 0.00 N ATOM 509 CA ASN A 49 -28.526 -14.563 -13.525 1.00 0.00 C ATOM 510 C ASN A 49 -27.708 -14.709 -12.246 1.00 0.00 C ATOM 511 O ASN A 49 -28.178 -15.266 -11.255 1.00 0.00 O ATOM 512 CB ASN A 49 -28.140 -15.666 -14.506 1.00 0.00 C ATOM 513 CG ASN A 49 -28.649 -17.010 -14.001 1.00 0.00 C ATOM 514 OD1 ASN A 49 -28.894 -17.173 -12.806 1.00 0.00 O ATOM 515 ND2 ASN A 49 -28.827 -17.988 -14.845 1.00 0.00 N ATOM 0 H ASN A 49 -27.495 -13.216 -14.763 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.583 -14.647 -13.271 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.561 -15.454 -15.489 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -27.057 -15.698 -14.623 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -29.170 -18.890 -14.515 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.623 -17.851 -15.835 1.00 0.00 H new ATOM 522 N CYS A 50 -26.484 -14.197 -12.274 1.00 0.00 N ATOM 523 CA CYS A 50 -25.603 -14.271 -11.113 1.00 0.00 C ATOM 524 C CYS A 50 -25.984 -13.230 -10.061 1.00 0.00 C ATOM 525 O CYS A 50 -25.822 -13.460 -8.863 1.00 0.00 O ATOM 526 CB CYS A 50 -24.145 -14.059 -11.553 1.00 0.00 C ATOM 527 SG CYS A 50 -23.042 -15.001 -10.472 1.00 0.00 S ATOM 0 H CYS A 50 -26.079 -13.728 -13.084 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.711 -15.259 -10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -24.017 -14.378 -12.587 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -23.893 -12.999 -11.513 1.00 0.00 H new ATOM 0 HG CYS A 50 -23.275 -16.272 -10.616 1.00 0.00 H new ATOM 533 N MET A 51 -26.478 -12.085 -10.516 1.00 0.00 N ATOM 534 CA MET A 51 -26.857 -11.017 -9.608 1.00 0.00 C ATOM 535 C MET A 51 -27.983 -11.473 -8.702 1.00 0.00 C ATOM 536 O MET A 51 -27.974 -11.202 -7.503 1.00 0.00 O ATOM 537 CB MET A 51 -27.295 -9.783 -10.414 1.00 0.00 C ATOM 538 CG MET A 51 -26.064 -9.012 -10.902 1.00 0.00 C ATOM 539 SD MET A 51 -26.592 -7.667 -11.992 1.00 0.00 S ATOM 540 CE MET A 51 -27.512 -6.717 -10.756 1.00 0.00 C ATOM 0 H MET A 51 -26.624 -11.876 -11.504 1.00 0.00 H new ATOM 0 HA MET A 51 -25.998 -10.755 -8.990 1.00 0.00 H new ATOM 0 HB2 MET A 51 -27.902 -10.091 -11.265 1.00 0.00 H new ATOM 0 HB3 MET A 51 -27.918 -9.137 -9.795 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.512 -8.611 -10.052 1.00 0.00 H new ATOM 0 HG3 MET A 51 -25.388 -9.682 -11.434 1.00 0.00 H new ATOM 0 HE1 MET A 51 -27.534 -5.667 -11.047 1.00 0.00 H new ATOM 0 HE2 MET A 51 -28.531 -7.097 -10.690 1.00 0.00 H new ATOM 0 HE3 MET A 51 -27.025 -6.814 -9.786 1.00 0.00 H new ATOM 550 N ARG A 52 -28.954 -12.165 -9.277 1.00 0.00 N ATOM 551 CA ARG A 52 -30.084 -12.646 -8.504 1.00 0.00 C ATOM 552 C ARG A 52 -29.674 -13.816 -7.615 1.00 0.00 C ATOM 553 O ARG A 52 -30.204 -13.993 -6.516 1.00 0.00 O ATOM 554 CB ARG A 52 -31.223 -13.067 -9.431 1.00 0.00 C ATOM 555 CG ARG A 52 -32.451 -13.459 -8.602 1.00 0.00 C ATOM 556 CD ARG A 52 -33.584 -13.879 -9.537 1.00 0.00 C ATOM 557 NE ARG A 52 -34.804 -14.120 -8.775 1.00 0.00 N ATOM 558 CZ ARG A 52 -35.035 -15.295 -8.198 1.00 0.00 C ATOM 559 NH1 ARG A 52 -34.160 -16.257 -8.308 1.00 0.00 N ATOM 560 NH2 ARG A 52 -36.133 -15.487 -7.521 1.00 0.00 N ATOM 0 H ARG A 52 -28.981 -12.404 -10.268 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.430 -11.832 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.475 -12.250 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.908 -13.907 -10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.201 -14.277 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -32.768 -12.620 -7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -33.759 -13.101 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.302 -14.781 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 52 -35.493 -13.373 -8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -33.300 -16.107 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -34.336 -17.159 -7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -36.816 -14.735 -7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -36.308 -16.389 -7.079 1.00 0.00 H new ATOM 574 N THR A 53 -28.742 -14.618 -8.110 1.00 0.00 N ATOM 575 CA THR A 53 -28.272 -15.780 -7.369 1.00 0.00 C ATOM 576 C THR A 53 -27.652 -15.361 -6.042 1.00 0.00 C ATOM 577 O THR A 53 -27.856 -16.016 -5.022 1.00 0.00 O ATOM 578 CB THR A 53 -27.240 -16.548 -8.192 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.855 -17.038 -9.375 1.00 0.00 O ATOM 580 CG2 THR A 53 -26.691 -17.719 -7.372 1.00 0.00 C ATOM 0 H THR A 53 -28.298 -14.486 -9.019 1.00 0.00 H new ATOM 0 HA THR A 53 -29.129 -16.423 -7.170 1.00 0.00 H new ATOM 0 HB THR A 53 -26.418 -15.883 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.983 -16.300 -10.007 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.955 -18.264 -7.963 1.00 0.00 H new ATOM 0 HG22 THR A 53 -26.219 -17.339 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 53 -27.508 -18.389 -7.102 1.00 0.00 H new ATOM 588 N MET A 54 -26.881 -14.273 -6.065 1.00 0.00 N ATOM 589 CA MET A 54 -26.221 -13.788 -4.860 1.00 0.00 C ATOM 590 C MET A 54 -26.134 -12.268 -4.869 1.00 0.00 C ATOM 591 O MET A 54 -25.047 -11.693 -4.905 1.00 0.00 O ATOM 592 CB MET A 54 -24.814 -14.381 -4.766 1.00 0.00 C ATOM 593 CG MET A 54 -24.231 -14.102 -3.380 1.00 0.00 C ATOM 594 SD MET A 54 -22.564 -14.795 -3.275 1.00 0.00 S ATOM 595 CE MET A 54 -22.122 -14.076 -1.674 1.00 0.00 C ATOM 0 H MET A 54 -26.701 -13.716 -6.901 1.00 0.00 H new ATOM 0 HA MET A 54 -26.808 -14.099 -3.996 1.00 0.00 H new ATOM 0 HB2 MET A 54 -24.848 -15.455 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.174 -13.948 -5.535 1.00 0.00 H new ATOM 0 HG2 MET A 54 -24.202 -13.028 -3.196 1.00 0.00 H new ATOM 0 HG3 MET A 54 -24.867 -14.540 -2.611 1.00 0.00 H new ATOM 0 HE1 MET A 54 -21.110 -14.379 -1.406 1.00 0.00 H new ATOM 0 HE2 MET A 54 -22.170 -12.989 -1.738 1.00 0.00 H new ATOM 0 HE3 MET A 54 -22.819 -14.426 -0.913 1.00 0.00 H new ATOM 605 N GLY A 55 -27.289 -11.621 -4.832 1.00 0.00 N ATOM 606 CA GLY A 55 -27.339 -10.162 -4.823 1.00 0.00 C ATOM 607 C GLY A 55 -28.653 -9.668 -4.238 1.00 0.00 C ATOM 608 O GLY A 55 -28.794 -9.528 -3.025 1.00 0.00 O ATOM 0 H GLY A 55 -28.201 -12.077 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.506 -9.769 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.223 -9.784 -5.839 1.00 0.00 H new ATOM 612 N TYR A 56 -29.613 -9.398 -5.111 1.00 0.00 N ATOM 613 CA TYR A 56 -30.920 -8.906 -4.677 1.00 0.00 C ATOM 614 C TYR A 56 -31.975 -9.198 -5.731 1.00 0.00 C ATOM 615 O TYR A 56 -31.655 -9.692 -6.810 1.00 0.00 O ATOM 616 CB TYR A 56 -30.855 -7.403 -4.395 1.00 0.00 C ATOM 617 CG TYR A 56 -30.153 -6.705 -5.536 1.00 0.00 C ATOM 618 CD1 TYR A 56 -28.755 -6.715 -5.605 1.00 0.00 C ATOM 619 CD2 TYR A 56 -30.896 -6.052 -6.525 1.00 0.00 C ATOM 620 CE1 TYR A 56 -28.101 -6.075 -6.659 1.00 0.00 C ATOM 621 CE2 TYR A 56 -30.239 -5.409 -7.579 1.00 0.00 C ATOM 622 CZ TYR A 56 -28.841 -5.420 -7.647 1.00 0.00 C ATOM 623 OH TYR A 56 -28.197 -4.790 -8.689 1.00 0.00 O ATOM 0 H TYR A 56 -29.516 -9.509 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 56 -31.196 -9.423 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -31.861 -7.001 -4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -30.324 -7.220 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -28.181 -7.219 -4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -31.975 -6.044 -6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -27.022 -6.086 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -30.812 -4.903 -8.342 1.00 0.00 H new ATOM 0 HH TYR A 56 -28.860 -4.386 -9.287 1.00 0.00 H new ATOM 633 N MET A 57 -33.235 -8.900 -5.407 1.00 0.00 N ATOM 634 CA MET A 57 -34.343 -9.138 -6.336 1.00 0.00 C ATOM 635 C MET A 57 -34.972 -7.812 -6.777 1.00 0.00 C ATOM 636 O MET A 57 -35.935 -7.340 -6.172 1.00 0.00 O ATOM 637 CB MET A 57 -35.400 -10.012 -5.664 1.00 0.00 C ATOM 638 CG MET A 57 -35.579 -9.581 -4.212 1.00 0.00 C ATOM 639 SD MET A 57 -37.157 -10.223 -3.597 1.00 0.00 S ATOM 640 CE MET A 57 -36.505 -11.699 -2.781 1.00 0.00 C ATOM 0 H MET A 57 -33.513 -8.495 -4.513 1.00 0.00 H new ATOM 0 HA MET A 57 -33.955 -9.649 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 57 -36.347 -9.928 -6.197 1.00 0.00 H new ATOM 0 HB3 MET A 57 -35.101 -11.059 -5.708 1.00 0.00 H new ATOM 0 HG2 MET A 57 -34.757 -9.957 -3.603 1.00 0.00 H new ATOM 0 HG3 MET A 57 -35.560 -8.494 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 57 -37.324 -12.255 -2.325 1.00 0.00 H new ATOM 0 HE2 MET A 57 -36.004 -12.329 -3.515 1.00 0.00 H new ATOM 0 HE3 MET A 57 -35.793 -11.404 -2.010 1.00 0.00 H new ATOM 650 N PRO A 58 -34.445 -7.201 -7.812 1.00 0.00 N ATOM 651 CA PRO A 58 -34.968 -5.907 -8.335 1.00 0.00 C ATOM 652 C PRO A 58 -36.201 -6.111 -9.212 1.00 0.00 C ATOM 653 O PRO A 58 -36.822 -7.178 -9.192 1.00 0.00 O ATOM 654 CB PRO A 58 -33.790 -5.354 -9.150 1.00 0.00 C ATOM 655 CG PRO A 58 -33.040 -6.564 -9.621 1.00 0.00 C ATOM 656 CD PRO A 58 -33.287 -7.668 -8.596 1.00 0.00 C ATOM 0 HA PRO A 58 -35.294 -5.233 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -34.139 -4.754 -9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -33.156 -4.710 -8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -33.384 -6.871 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.975 -6.349 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -33.497 -8.620 -9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -32.415 -7.820 -7.961 1.00 0.00 H new ATOM 664 N THR A 59 -36.550 -5.084 -9.976 1.00 0.00 N ATOM 665 CA THR A 59 -37.710 -5.160 -10.856 1.00 0.00 C ATOM 666 C THR A 59 -37.367 -5.945 -12.115 1.00 0.00 C ATOM 667 O THR A 59 -36.193 -6.140 -12.431 1.00 0.00 O ATOM 668 CB THR A 59 -38.165 -3.749 -11.240 1.00 0.00 C ATOM 669 OG1 THR A 59 -37.043 -2.988 -11.664 1.00 0.00 O ATOM 670 CG2 THR A 59 -38.813 -3.074 -10.031 1.00 0.00 C ATOM 0 H THR A 59 -36.051 -4.195 -10.005 1.00 0.00 H new ATOM 0 HA THR A 59 -38.516 -5.670 -10.328 1.00 0.00 H new ATOM 0 HB THR A 59 -38.890 -3.810 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 59 -37.334 -2.086 -11.911 1.00 0.00 H new ATOM 0 HG21 THR A 59 -39.137 -2.070 -10.305 1.00 0.00 H new ATOM 0 HG22 THR A 59 -39.675 -3.657 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 59 -38.090 -3.013 -9.218 1.00 0.00 H new ATOM 678 N GLU A 60 -38.394 -6.393 -12.828 1.00 0.00 N ATOM 679 CA GLU A 60 -38.188 -7.157 -14.050 1.00 0.00 C ATOM 680 C GLU A 60 -37.563 -6.281 -15.128 1.00 0.00 C ATOM 681 O GLU A 60 -36.909 -6.778 -16.042 1.00 0.00 O ATOM 682 CB GLU A 60 -39.524 -7.712 -14.551 1.00 0.00 C ATOM 683 CG GLU A 60 -40.027 -8.782 -13.581 1.00 0.00 C ATOM 684 CD GLU A 60 -41.417 -9.249 -13.997 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.939 -8.710 -14.959 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.943 -10.136 -13.345 1.00 0.00 O ATOM 0 H GLU A 60 -39.372 -6.241 -12.582 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.512 -7.983 -13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -40.256 -6.908 -14.634 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.403 -8.137 -15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.339 -9.627 -13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -40.057 -8.381 -12.568 1.00 0.00 H new ATOM 693 N MET A 61 -37.766 -4.977 -15.017 1.00 0.00 N ATOM 694 CA MET A 61 -37.213 -4.038 -15.985 1.00 0.00 C ATOM 695 C MET A 61 -35.751 -3.762 -15.690 1.00 0.00 C ATOM 696 O MET A 61 -35.002 -3.358 -16.572 1.00 0.00 O ATOM 697 CB MET A 61 -38.009 -2.729 -15.955 1.00 0.00 C ATOM 698 CG MET A 61 -39.432 -2.979 -16.461 1.00 0.00 C ATOM 699 SD MET A 61 -39.398 -3.331 -18.239 1.00 0.00 S ATOM 700 CE MET A 61 -40.689 -2.168 -18.741 1.00 0.00 C ATOM 0 H MET A 61 -38.308 -4.544 -14.269 1.00 0.00 H new ATOM 0 HA MET A 61 -37.287 -4.481 -16.978 1.00 0.00 H new ATOM 0 HB2 MET A 61 -38.038 -2.333 -14.940 1.00 0.00 H new ATOM 0 HB3 MET A 61 -37.518 -1.979 -16.576 1.00 0.00 H new ATOM 0 HG2 MET A 61 -39.877 -3.816 -15.924 1.00 0.00 H new ATOM 0 HG3 MET A 61 -40.056 -2.107 -16.265 1.00 0.00 H new ATOM 0 HE1 MET A 61 -40.830 -2.225 -19.820 1.00 0.00 H new ATOM 0 HE2 MET A 61 -41.623 -2.422 -18.239 1.00 0.00 H new ATOM 0 HE3 MET A 61 -40.393 -1.155 -18.466 1.00 0.00 H new ATOM 710 N GLU A 62 -35.352 -3.987 -14.449 1.00 0.00 N ATOM 711 CA GLU A 62 -33.969 -3.754 -14.060 1.00 0.00 C ATOM 712 C GLU A 62 -33.045 -4.767 -14.726 1.00 0.00 C ATOM 713 O GLU A 62 -31.983 -4.413 -15.234 1.00 0.00 O ATOM 714 CB GLU A 62 -33.831 -3.854 -12.534 1.00 0.00 C ATOM 715 CG GLU A 62 -32.657 -2.995 -12.051 1.00 0.00 C ATOM 716 CD GLU A 62 -31.348 -3.552 -12.600 1.00 0.00 C ATOM 717 OE1 GLU A 62 -31.270 -4.757 -12.785 1.00 0.00 O ATOM 718 OE2 GLU A 62 -30.444 -2.768 -12.825 1.00 0.00 O ATOM 0 H GLU A 62 -35.957 -4.327 -13.701 1.00 0.00 H new ATOM 0 HA GLU A 62 -33.683 -2.754 -14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -34.753 -3.524 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -33.675 -4.893 -12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.790 -1.964 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -32.628 -2.982 -10.961 1.00 0.00 H new ATOM 725 N LEU A 63 -33.458 -6.027 -14.714 1.00 0.00 N ATOM 726 CA LEU A 63 -32.659 -7.085 -15.316 1.00 0.00 C ATOM 727 C LEU A 63 -32.823 -7.078 -16.828 1.00 0.00 C ATOM 728 O LEU A 63 -31.994 -7.639 -17.546 1.00 0.00 O ATOM 729 CB LEU A 63 -33.097 -8.448 -14.770 1.00 0.00 C ATOM 730 CG LEU A 63 -32.849 -8.497 -13.256 1.00 0.00 C ATOM 731 CD1 LEU A 63 -33.473 -9.773 -12.678 1.00 0.00 C ATOM 732 CD2 LEU A 63 -31.336 -8.483 -12.961 1.00 0.00 C ATOM 0 H LEU A 63 -34.335 -6.340 -14.297 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.613 -6.909 -15.067 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -34.153 -8.614 -14.982 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -32.543 -9.245 -15.266 1.00 0.00 H new ATOM 0 HG LEU A 63 -33.306 -7.622 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -33.298 -9.809 -11.603 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -34.546 -9.773 -12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -33.020 -10.645 -13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -31.175 -8.518 -11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.867 -9.350 -13.426 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -30.895 -7.571 -13.364 1.00 0.00 H new ATOM 744 N ILE A 64 -33.893 -6.442 -17.306 1.00 0.00 N ATOM 745 CA ILE A 64 -34.151 -6.377 -18.740 1.00 0.00 C ATOM 746 C ILE A 64 -33.627 -5.073 -19.315 1.00 0.00 C ATOM 747 O ILE A 64 -33.325 -4.991 -20.503 1.00 0.00 O ATOM 748 CB ILE A 64 -35.651 -6.490 -18.998 1.00 0.00 C ATOM 749 CG1 ILE A 64 -36.142 -7.881 -18.578 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.938 -6.273 -20.482 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.673 -7.911 -18.587 1.00 0.00 C ATOM 0 H ILE A 64 -34.587 -5.970 -16.726 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.636 -7.205 -19.227 1.00 0.00 H new ATOM 0 HB ILE A 64 -36.173 -5.730 -18.416 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.750 -8.637 -19.258 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.770 -8.124 -17.583 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -37.010 -6.355 -20.661 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -35.595 -5.281 -20.778 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -35.414 -7.028 -21.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -38.019 -8.900 -18.288 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -38.056 -7.167 -17.889 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -38.035 -7.687 -19.590 1.00 0.00 H new ATOM 763 N GLU A 65 -33.520 -4.052 -18.467 1.00 0.00 N ATOM 764 CA GLU A 65 -33.026 -2.752 -18.912 1.00 0.00 C ATOM 765 C GLU A 65 -31.530 -2.654 -18.675 1.00 0.00 C ATOM 766 O GLU A 65 -30.797 -2.111 -19.501 1.00 0.00 O ATOM 767 CB GLU A 65 -33.738 -1.633 -18.148 1.00 0.00 C ATOM 768 CG GLU A 65 -33.311 -0.278 -18.708 1.00 0.00 C ATOM 769 CD GLU A 65 -34.044 0.840 -17.976 1.00 0.00 C ATOM 770 OE1 GLU A 65 -34.649 0.556 -16.955 1.00 0.00 O ATOM 771 OE2 GLU A 65 -33.987 1.964 -18.446 1.00 0.00 O ATOM 0 H GLU A 65 -33.766 -4.099 -17.478 1.00 0.00 H new ATOM 0 HA GLU A 65 -33.228 -2.647 -19.978 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -34.818 -1.750 -18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -33.496 -1.692 -17.087 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -32.234 -0.152 -18.597 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -33.529 -0.230 -19.775 1.00 0.00 H new ATOM 778 N LEU A 66 -31.081 -3.180 -17.540 1.00 0.00 N ATOM 779 CA LEU A 66 -29.659 -3.133 -17.212 1.00 0.00 C ATOM 780 C LEU A 66 -28.847 -3.946 -18.208 1.00 0.00 C ATOM 781 O LEU A 66 -28.081 -3.397 -18.991 1.00 0.00 O ATOM 782 CB LEU A 66 -29.425 -3.675 -15.799 1.00 0.00 C ATOM 783 CG LEU A 66 -27.936 -3.566 -15.426 1.00 0.00 C ATOM 784 CD1 LEU A 66 -27.494 -2.090 -15.432 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.719 -4.168 -14.034 1.00 0.00 C ATOM 0 H LEU A 66 -31.668 -3.636 -16.842 1.00 0.00 H new ATOM 0 HA LEU A 66 -29.335 -2.093 -17.261 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -30.028 -3.117 -15.083 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.746 -4.715 -15.743 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.340 -4.112 -16.158 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.439 -2.025 -15.167 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -27.645 -1.669 -16.426 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -28.085 -1.530 -14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.665 -4.093 -13.765 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -28.319 -3.624 -13.305 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -28.018 -5.216 -14.040 1.00 0.00 H new ATOM 797 N SER A 67 -29.010 -5.263 -18.161 1.00 0.00 N ATOM 798 CA SER A 67 -28.272 -6.149 -19.059 1.00 0.00 C ATOM 799 C SER A 67 -28.192 -5.530 -20.444 1.00 0.00 C ATOM 800 O SER A 67 -27.122 -5.464 -21.048 1.00 0.00 O ATOM 801 CB SER A 67 -28.989 -7.515 -19.117 1.00 0.00 C ATOM 802 OG SER A 67 -28.364 -8.420 -18.218 1.00 0.00 O ATOM 0 H SER A 67 -29.641 -5.740 -17.517 1.00 0.00 H new ATOM 0 HA SER A 67 -27.257 -6.292 -18.688 1.00 0.00 H new ATOM 0 HB2 SER A 67 -30.041 -7.396 -18.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 -28.955 -7.912 -20.131 1.00 0.00 H new ATOM 0 HG SER A 67 -28.048 -9.206 -18.711 1.00 0.00 H new ATOM 808 N GLN A 68 -29.327 -5.073 -20.938 1.00 0.00 N ATOM 809 CA GLN A 68 -29.365 -4.457 -22.255 1.00 0.00 C ATOM 810 C GLN A 68 -28.512 -3.188 -22.264 1.00 0.00 C ATOM 811 O GLN A 68 -27.828 -2.885 -23.241 1.00 0.00 O ATOM 812 CB GLN A 68 -30.814 -4.117 -22.636 1.00 0.00 C ATOM 813 CG GLN A 68 -30.850 -3.508 -24.038 1.00 0.00 C ATOM 814 CD GLN A 68 -32.296 -3.337 -24.496 1.00 0.00 C ATOM 815 OE1 GLN A 68 -33.209 -3.908 -23.900 1.00 0.00 O ATOM 816 NE2 GLN A 68 -32.557 -2.588 -25.532 1.00 0.00 N ATOM 0 H GLN A 68 -30.225 -5.114 -20.456 1.00 0.00 H new ATOM 0 HA GLN A 68 -28.963 -5.160 -22.985 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.429 -5.016 -22.604 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.235 -3.417 -21.914 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -30.344 -2.543 -24.037 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.312 -4.150 -24.736 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -31.798 -2.116 -26.024 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -33.520 -2.475 -25.850 1.00 0.00 H new ATOM 825 N GLN A 69 -28.550 -2.464 -21.156 1.00 0.00 N ATOM 826 CA GLN A 69 -27.765 -1.237 -21.035 1.00 0.00 C ATOM 827 C GLN A 69 -26.301 -1.559 -21.341 1.00 0.00 C ATOM 828 O GLN A 69 -25.668 -0.896 -22.165 1.00 0.00 O ATOM 829 CB GLN A 69 -27.892 -0.662 -19.626 1.00 0.00 C ATOM 830 CG GLN A 69 -27.415 0.790 -19.619 1.00 0.00 C ATOM 831 CD GLN A 69 -28.427 1.671 -20.349 1.00 0.00 C ATOM 832 OE1 GLN A 69 -29.633 1.511 -20.169 1.00 0.00 O ATOM 833 NE2 GLN A 69 -28.004 2.589 -21.170 1.00 0.00 N ATOM 0 H GLN A 69 -29.108 -2.698 -20.335 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.136 -0.494 -21.741 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.928 -0.716 -19.292 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.301 -1.253 -18.927 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -27.291 1.137 -18.593 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -26.440 0.864 -20.101 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -27.003 2.719 -21.317 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -28.674 3.178 -21.666 1.00 0.00 H new ATOM 842 N ILE A 70 -25.783 -2.586 -20.677 1.00 0.00 N ATOM 843 CA ILE A 70 -24.409 -3.014 -20.900 1.00 0.00 C ATOM 844 C ILE A 70 -24.232 -3.505 -22.334 1.00 0.00 C ATOM 845 O ILE A 70 -23.204 -3.249 -22.969 1.00 0.00 O ATOM 846 CB ILE A 70 -24.021 -4.125 -19.917 1.00 0.00 C ATOM 847 CG1 ILE A 70 -23.878 -3.532 -18.513 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.690 -4.761 -20.343 1.00 0.00 C ATOM 849 CD1 ILE A 70 -23.759 -4.664 -17.493 1.00 0.00 C ATOM 0 H ILE A 70 -26.291 -3.135 -19.984 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.755 -2.158 -20.734 1.00 0.00 H new ATOM 0 HB ILE A 70 -24.797 -4.891 -19.916 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -22.998 -2.891 -18.465 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.741 -2.907 -18.281 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.422 -5.549 -19.639 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.793 -5.186 -21.342 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -21.909 -4.000 -20.351 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -23.657 -4.243 -16.493 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -24.652 -5.287 -17.535 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.883 -5.270 -17.723 1.00 0.00 H new ATOM 861 N ASN A 71 -25.228 -4.235 -22.827 1.00 0.00 N ATOM 862 CA ASN A 71 -25.159 -4.782 -24.173 1.00 0.00 C ATOM 863 C ASN A 71 -24.904 -3.671 -25.185 1.00 0.00 C ATOM 864 O ASN A 71 -24.131 -3.841 -26.120 1.00 0.00 O ATOM 865 CB ASN A 71 -26.471 -5.485 -24.514 1.00 0.00 C ATOM 866 CG ASN A 71 -26.380 -6.126 -25.891 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.557 -5.448 -26.905 1.00 0.00 O ATOM 868 ND2 ASN A 71 -26.121 -7.399 -25.990 1.00 0.00 N ATOM 0 H ASN A 71 -26.084 -4.459 -22.319 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.338 -5.498 -24.215 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.690 -6.245 -23.764 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.292 -4.769 -24.492 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -26.064 -7.838 -26.909 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.975 -7.957 -25.149 1.00 0.00 H new ATOM 875 N MET A 72 -25.545 -2.534 -24.991 1.00 0.00 N ATOM 876 CA MET A 72 -25.363 -1.405 -25.896 1.00 0.00 C ATOM 877 C MET A 72 -23.945 -0.852 -25.803 1.00 0.00 C ATOM 878 O MET A 72 -23.384 -0.382 -26.792 1.00 0.00 O ATOM 879 CB MET A 72 -26.366 -0.300 -25.562 1.00 0.00 C ATOM 880 CG MET A 72 -27.755 -0.684 -26.084 1.00 0.00 C ATOM 881 SD MET A 72 -28.899 0.697 -25.845 1.00 0.00 S ATOM 882 CE MET A 72 -29.096 0.542 -24.054 1.00 0.00 C ATOM 0 H MET A 72 -26.193 -2.364 -24.222 1.00 0.00 H new ATOM 0 HA MET A 72 -25.532 -1.757 -26.914 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.403 -0.144 -24.484 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.047 0.641 -26.010 1.00 0.00 H new ATOM 0 HG2 MET A 72 -27.698 -0.943 -27.141 1.00 0.00 H new ATOM 0 HG3 MET A 72 -28.120 -1.567 -25.559 1.00 0.00 H new ATOM 0 HE1 MET A 72 -29.991 1.079 -23.739 1.00 0.00 H new ATOM 0 HE2 MET A 72 -29.192 -0.511 -23.788 1.00 0.00 H new ATOM 0 HE3 MET A 72 -28.224 0.964 -23.554 1.00 0.00 H new ATOM 892 N ASN A 73 -23.378 -0.904 -24.606 1.00 0.00 N ATOM 893 CA ASN A 73 -22.029 -0.393 -24.390 1.00 0.00 C ATOM 894 C ASN A 73 -20.977 -1.356 -24.928 1.00 0.00 C ATOM 895 O ASN A 73 -20.467 -1.182 -26.038 1.00 0.00 O ATOM 896 CB ASN A 73 -21.791 -0.159 -22.896 1.00 0.00 C ATOM 897 CG ASN A 73 -22.815 0.829 -22.352 1.00 0.00 C ATOM 898 OD1 ASN A 73 -23.327 0.647 -21.249 1.00 0.00 O ATOM 899 ND2 ASN A 73 -23.144 1.871 -23.065 1.00 0.00 N ATOM 0 H ASN A 73 -23.825 -1.291 -23.775 1.00 0.00 H new ATOM 0 HA ASN A 73 -21.939 0.550 -24.930 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -21.862 -1.103 -22.356 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -20.783 0.224 -22.736 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.828 2.538 -22.708 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.717 2.019 -23.980 1.00 0.00 H new ATOM 906 N LEU A 74 -20.641 -2.360 -24.132 1.00 0.00 N ATOM 907 CA LEU A 74 -19.631 -3.336 -24.529 1.00 0.00 C ATOM 908 C LEU A 74 -20.145 -4.220 -25.655 1.00 0.00 C ATOM 909 O LEU A 74 -19.499 -5.195 -26.035 1.00 0.00 O ATOM 910 CB LEU A 74 -19.240 -4.204 -23.323 1.00 0.00 C ATOM 911 CG LEU A 74 -18.280 -3.430 -22.409 1.00 0.00 C ATOM 912 CD1 LEU A 74 -19.024 -2.266 -21.747 1.00 0.00 C ATOM 913 CD2 LEU A 74 -17.740 -4.369 -21.330 1.00 0.00 C ATOM 0 H LEU A 74 -21.049 -2.522 -23.211 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.754 -2.796 -24.887 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.132 -4.492 -22.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.767 -5.125 -23.665 1.00 0.00 H new ATOM 0 HG LEU A 74 -17.453 -3.039 -23.001 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -18.340 -1.719 -21.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -19.410 -1.596 -22.516 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -19.853 -2.654 -21.155 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -17.058 -3.822 -20.679 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -18.569 -4.760 -20.740 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -17.208 -5.196 -21.800 1.00 0.00 H new ATOM 925 N GLY A 75 -21.310 -3.875 -26.189 1.00 0.00 N ATOM 926 CA GLY A 75 -21.895 -4.649 -27.278 1.00 0.00 C ATOM 927 C GLY A 75 -22.627 -5.869 -26.727 1.00 0.00 C ATOM 928 O GLY A 75 -23.827 -6.033 -26.933 1.00 0.00 O ATOM 0 H GLY A 75 -21.864 -3.073 -25.890 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -22.587 -4.026 -27.845 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.113 -4.966 -27.968 1.00 0.00 H new ATOM 932 N GLY A 76 -21.893 -6.728 -26.026 1.00 0.00 N ATOM 933 CA GLY A 76 -22.483 -7.932 -25.450 1.00 0.00 C ATOM 934 C GLY A 76 -21.410 -8.827 -24.838 1.00 0.00 C ATOM 935 O GLY A 76 -21.322 -10.011 -25.155 1.00 0.00 O ATOM 0 H GLY A 76 -20.896 -6.614 -25.844 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.210 -7.656 -24.686 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.024 -8.481 -26.221 1.00 0.00 H new ATOM 939 N HIS A 77 -20.601 -8.251 -23.961 1.00 0.00 N ATOM 940 CA HIS A 77 -19.534 -8.996 -23.305 1.00 0.00 C ATOM 941 C HIS A 77 -19.113 -8.311 -22.012 1.00 0.00 C ATOM 942 O HIS A 77 -18.960 -7.094 -21.963 1.00 0.00 O ATOM 943 CB HIS A 77 -18.325 -9.105 -24.238 1.00 0.00 C ATOM 944 CG HIS A 77 -18.693 -9.928 -25.440 1.00 0.00 C ATOM 945 ND1 HIS A 77 -18.938 -11.289 -25.355 1.00 0.00 N ATOM 946 CD2 HIS A 77 -18.859 -9.600 -26.764 1.00 0.00 C ATOM 947 CE1 HIS A 77 -19.238 -11.726 -26.591 1.00 0.00 C ATOM 948 NE2 HIS A 77 -19.203 -10.738 -27.488 1.00 0.00 N ATOM 0 H HIS A 77 -20.662 -7.271 -23.687 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.908 -9.992 -23.070 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -18.002 -8.112 -24.549 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.487 -9.563 -23.713 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.741 -8.610 -27.180 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.478 -12.752 -26.829 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.388 -10.803 -28.489 1.00 0.00 H new ATOM 956 N VAL A 78 -18.920 -9.102 -20.965 1.00 0.00 N ATOM 957 CA VAL A 78 -18.501 -8.570 -19.665 1.00 0.00 C ATOM 958 C VAL A 78 -17.355 -9.411 -19.106 1.00 0.00 C ATOM 959 O VAL A 78 -17.438 -10.640 -19.067 1.00 0.00 O ATOM 960 CB VAL A 78 -19.687 -8.578 -18.697 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.292 -7.898 -17.388 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.859 -7.825 -19.329 1.00 0.00 C ATOM 0 H VAL A 78 -19.045 -10.114 -20.985 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.155 -7.544 -19.789 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.979 -9.608 -18.491 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.140 -7.907 -16.703 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.456 -8.433 -16.938 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -18.997 -6.868 -17.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.706 -7.828 -18.643 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.562 -6.796 -19.534 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.145 -8.313 -20.261 1.00 0.00 H new ATOM 972 N ASP A 79 -16.293 -8.740 -18.667 1.00 0.00 N ATOM 973 CA ASP A 79 -15.126 -9.419 -18.095 1.00 0.00 C ATOM 974 C ASP A 79 -15.194 -9.432 -16.584 1.00 0.00 C ATOM 975 O ASP A 79 -15.875 -8.608 -15.971 1.00 0.00 O ATOM 976 CB ASP A 79 -13.850 -8.716 -18.560 1.00 0.00 C ATOM 977 CG ASP A 79 -13.873 -7.259 -18.124 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.890 -6.833 -17.611 1.00 0.00 O ATOM 979 OD2 ASP A 79 -12.877 -6.587 -18.318 1.00 0.00 O ATOM 0 H ASP A 79 -16.214 -7.723 -18.695 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.119 -10.453 -18.440 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.976 -9.216 -18.142 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.765 -8.779 -19.645 1.00 0.00 H new ATOM 984 N PHE A 80 -14.497 -10.391 -15.986 1.00 0.00 N ATOM 985 CA PHE A 80 -14.488 -10.512 -14.539 1.00 0.00 C ATOM 986 C PHE A 80 -14.282 -9.145 -13.902 1.00 0.00 C ATOM 987 O PHE A 80 -14.736 -8.898 -12.787 1.00 0.00 O ATOM 988 CB PHE A 80 -13.361 -11.456 -14.098 1.00 0.00 C ATOM 989 CG PHE A 80 -13.290 -11.491 -12.585 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.375 -11.979 -11.850 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.142 -11.039 -11.919 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.318 -12.013 -10.449 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.085 -11.074 -10.520 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.171 -11.563 -9.784 1.00 0.00 C ATOM 0 H PHE A 80 -13.937 -11.088 -16.477 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.446 -10.919 -14.216 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.540 -12.458 -14.487 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.409 -11.119 -14.509 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.259 -12.330 -12.362 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.302 -10.664 -12.485 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.159 -12.386 -9.883 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.201 -10.723 -10.008 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.124 -11.593 -8.705 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.595 -8.258 -14.615 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.330 -6.923 -14.089 1.00 0.00 C ATOM 1006 C ASP A 81 -14.603 -6.094 -14.094 1.00 0.00 C ATOM 1007 O ASP A 81 -14.988 -5.516 -13.075 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.257 -6.233 -14.938 1.00 0.00 C ATOM 1009 CG ASP A 81 -10.900 -6.894 -14.713 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -10.774 -7.635 -13.753 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.006 -6.648 -15.507 1.00 0.00 O ATOM 0 H ASP A 81 -13.216 -8.435 -15.545 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.973 -7.014 -13.063 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.526 -6.289 -15.993 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.202 -5.176 -14.679 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.261 -6.049 -15.246 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.496 -5.301 -15.374 1.00 0.00 C ATOM 1018 C ASP A 82 -17.576 -5.912 -14.497 1.00 0.00 C ATOM 1019 O ASP A 82 -18.347 -5.199 -13.860 1.00 0.00 O ATOM 1020 CB ASP A 82 -16.952 -5.280 -16.833 1.00 0.00 C ATOM 1021 CG ASP A 82 -18.262 -4.508 -16.963 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -18.791 -4.094 -15.945 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -18.720 -4.339 -18.085 1.00 0.00 O ATOM 0 H ASP A 82 -14.958 -6.520 -16.098 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.318 -4.277 -15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.185 -4.818 -17.455 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.084 -6.299 -17.195 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.611 -7.237 -14.453 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.588 -7.941 -13.632 1.00 0.00 C ATOM 1030 C PHE A 83 -18.406 -7.555 -12.165 1.00 0.00 C ATOM 1031 O PHE A 83 -19.376 -7.280 -11.460 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.417 -9.452 -13.798 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.320 -10.177 -12.828 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -18.926 -10.334 -11.495 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -20.551 -10.682 -13.256 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -19.760 -11.000 -10.592 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -21.387 -11.349 -12.354 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.991 -11.509 -11.020 1.00 0.00 C ATOM 0 H PHE A 83 -16.978 -7.844 -14.973 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.591 -7.660 -13.953 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.656 -9.744 -14.820 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.378 -9.732 -13.621 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -17.977 -9.940 -11.163 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.857 -10.557 -14.284 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -19.454 -11.122 -9.563 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.337 -11.740 -12.686 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.635 -12.024 -10.323 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.155 -7.535 -11.721 1.00 0.00 N ATOM 1049 CA VAL A 84 -16.851 -7.171 -10.345 1.00 0.00 C ATOM 1050 C VAL A 84 -17.145 -5.695 -10.108 1.00 0.00 C ATOM 1051 O VAL A 84 -17.706 -5.323 -9.079 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.377 -7.463 -10.039 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -14.990 -6.827 -8.693 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.167 -8.976 -9.956 1.00 0.00 C ATOM 0 H VAL A 84 -16.341 -7.765 -12.290 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.480 -7.765 -9.681 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.756 -7.045 -10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -13.942 -7.037 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.141 -5.749 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.612 -7.244 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.120 -9.187 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.792 -9.387 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.439 -9.434 -10.907 1.00 0.00 H new ATOM 1064 N GLU A 85 -16.743 -4.860 -11.057 1.00 0.00 N ATOM 1065 CA GLU A 85 -16.953 -3.428 -10.928 1.00 0.00 C ATOM 1066 C GLU A 85 -18.436 -3.117 -10.871 1.00 0.00 C ATOM 1067 O GLU A 85 -18.885 -2.316 -10.047 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.314 -2.696 -12.116 1.00 0.00 C ATOM 1069 CG GLU A 85 -16.208 -1.196 -11.812 1.00 0.00 C ATOM 1070 CD GLU A 85 -17.591 -0.557 -11.866 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -18.424 -1.054 -12.607 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -17.800 0.419 -11.164 1.00 0.00 O ATOM 0 H GLU A 85 -16.274 -5.148 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.486 -3.088 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.324 -3.106 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.912 -2.852 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.767 -1.046 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.547 -0.716 -12.534 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.195 -3.744 -11.751 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.628 -3.515 -11.785 1.00 0.00 C ATOM 1081 C LEU A 86 -21.285 -4.027 -10.500 1.00 0.00 C ATOM 1082 O LEU A 86 -22.157 -3.379 -9.920 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.245 -4.234 -13.007 1.00 0.00 C ATOM 1084 CG LEU A 86 -22.476 -3.456 -13.508 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -23.473 -3.255 -12.354 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -22.031 -2.077 -14.073 1.00 0.00 C ATOM 0 H LEU A 86 -18.849 -4.408 -12.444 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.806 -2.443 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.506 -4.314 -13.804 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.532 -5.250 -12.735 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.962 -4.025 -14.300 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.341 -2.704 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.791 -4.226 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.994 -2.692 -11.553 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -22.905 -1.530 -14.427 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -21.537 -1.504 -13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -21.339 -2.229 -14.901 1.00 0.00 H new ATOM 1098 N MET A 87 -20.859 -5.196 -10.071 1.00 0.00 N ATOM 1099 CA MET A 87 -21.411 -5.798 -8.867 1.00 0.00 C ATOM 1100 C MET A 87 -20.970 -5.026 -7.639 1.00 0.00 C ATOM 1101 O MET A 87 -21.597 -5.115 -6.581 1.00 0.00 O ATOM 1102 CB MET A 87 -20.967 -7.255 -8.754 1.00 0.00 C ATOM 1103 CG MET A 87 -21.563 -7.877 -7.490 1.00 0.00 C ATOM 1104 SD MET A 87 -21.334 -9.672 -7.535 1.00 0.00 S ATOM 1105 CE MET A 87 -22.974 -10.097 -8.172 1.00 0.00 C ATOM 0 H MET A 87 -20.136 -5.749 -10.532 1.00 0.00 H new ATOM 0 HA MET A 87 -22.499 -5.763 -8.931 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.290 -7.813 -9.633 1.00 0.00 H new ATOM 0 HB3 MET A 87 -19.879 -7.313 -8.721 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.082 -7.460 -6.605 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.624 -7.637 -7.419 1.00 0.00 H new ATOM 0 HE1 MET A 87 -23.053 -11.179 -8.280 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.737 -9.744 -7.478 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.121 -9.624 -9.143 1.00 0.00 H new ATOM 1115 N GLY A 88 -19.873 -4.289 -7.780 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.335 -3.526 -6.678 1.00 0.00 C ATOM 1117 C GLY A 88 -20.444 -2.876 -5.849 1.00 0.00 C ATOM 1118 O GLY A 88 -21.591 -2.788 -6.296 1.00 0.00 O ATOM 0 H GLY A 88 -19.345 -4.209 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.738 -4.178 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.666 -2.755 -7.061 1.00 0.00 H new ATOM 1122 N PRO A 89 -20.129 -2.415 -4.664 1.00 0.00 N ATOM 1123 CA PRO A 89 -21.126 -1.760 -3.767 1.00 0.00 C ATOM 1124 C PRO A 89 -21.694 -0.480 -4.371 1.00 0.00 C ATOM 1125 O PRO A 89 -22.721 0.013 -3.910 1.00 0.00 O ATOM 1126 CB PRO A 89 -20.335 -1.451 -2.480 1.00 0.00 C ATOM 1127 CG PRO A 89 -19.094 -2.283 -2.561 1.00 0.00 C ATOM 1128 CD PRO A 89 -18.800 -2.464 -4.042 1.00 0.00 C ATOM 0 HA PRO A 89 -21.990 -2.402 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.092 -0.390 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -20.917 -1.700 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -18.262 -1.791 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -19.239 -3.247 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -18.150 -1.676 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.299 -3.412 -4.239 1.00 0.00 H new ATOM 1136 N LYS A 90 -21.001 0.060 -5.376 1.00 0.00 N ATOM 1137 CA LYS A 90 -21.434 1.290 -6.028 1.00 0.00 C ATOM 1138 C LYS A 90 -21.410 2.448 -5.042 1.00 0.00 C ATOM 1139 O LYS A 90 -21.796 3.567 -5.376 1.00 0.00 O ATOM 1140 CB LYS A 90 -22.849 1.119 -6.597 1.00 0.00 C ATOM 1141 CG LYS A 90 -22.831 0.066 -7.701 1.00 0.00 C ATOM 1142 CD LYS A 90 -24.246 -0.108 -8.256 1.00 0.00 C ATOM 1143 CE LYS A 90 -24.230 -1.146 -9.374 1.00 0.00 C ATOM 1144 NZ LYS A 90 -25.606 -1.312 -9.921 1.00 0.00 N ATOM 0 H LYS A 90 -20.140 -0.337 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 90 -20.747 1.509 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -23.537 0.820 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -23.211 2.068 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -22.150 0.368 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -22.462 -0.882 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -24.923 -0.423 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -24.619 0.844 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -23.549 -0.833 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -23.861 -2.099 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -25.594 -2.020 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -26.245 -1.629 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -25.942 -0.403 -10.298 1.00 0.00 H new ATOM 1158 N LEU A 91 -20.952 2.173 -3.823 1.00 0.00 N ATOM 1159 CA LEU A 91 -20.884 3.202 -2.794 1.00 0.00 C ATOM 1160 C LEU A 91 -22.191 3.995 -2.754 1.00 0.00 C ATOM 1161 O LEU A 91 -23.214 3.394 -2.462 1.00 0.00 O ATOM 1162 CB LEU A 91 -19.698 4.142 -3.087 1.00 0.00 C ATOM 1163 CG LEU A 91 -18.435 3.634 -2.386 1.00 0.00 C ATOM 1164 CD1 LEU A 91 -18.073 2.257 -2.936 1.00 0.00 C ATOM 1165 CD2 LEU A 91 -17.285 4.607 -2.638 1.00 0.00 C ATOM 0 H LEU A 91 -20.625 1.253 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 91 -20.737 2.731 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -19.528 4.200 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -19.931 5.151 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 91 -18.615 3.561 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.174 1.892 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -18.895 1.565 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.891 2.330 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.386 4.245 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.100 4.682 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -17.547 5.590 -2.246 1.00 0.00 H new TER 1177 LEU A 91 HETATM 1178 CA CA A 301 -17.372 -17.669 -20.840 1.00 0.00 CA