USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 651 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 11 ASN : amide:sc= 1.07 K(o=1.7,f=-11!) USER MOD Set 1.2: A 70 TYR OH : rot -26:sc= 0.582 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 166:sc= -0.352 (180deg=-0.917) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0.42 (180deg=0.371) USER MOD Single : A 25 SER OG : rot 14:sc= 0.4 USER MOD Single : A 30 ASN : amide:sc=-0.00145 X(o=-0.0014,f=-0.14) USER MOD Single : A 32 TYR OH : rot 135:sc= 1.25 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc=-0.00215 X(o=-0.0022,f=-0.26) USER MOD Single : A 50 MET CE :methyl -150:sc= -0.24 (180deg=-0.673) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 1.34 (180deg=1.1!) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000361) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 145:sc= 0 (180deg=-0.378) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.267 K(o=-0.27,f=-4.9!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.347 7.596 1.028 1.00 12.32 N ATOM 2 CA GLY A 1 -19.161 7.425 1.870 1.00 71.12 C ATOM 3 C GLY A 1 -18.535 6.068 1.639 1.00 74.25 C ATOM 4 O GLY A 1 -19.166 5.048 1.918 1.00 74.24 O ATOM 0 H1 GLY A 1 -20.763 8.533 1.201 1.00 12.32 H new ATOM 0 H2 GLY A 1 -20.077 7.516 0.027 1.00 12.32 H new ATOM 0 H3 GLY A 1 -21.045 6.860 1.258 1.00 12.32 H new ATOM 0 HA2 GLY A 1 -18.436 8.208 1.649 1.00 71.12 H new ATOM 0 HA3 GLY A 1 -19.435 7.531 2.920 1.00 71.12 H new ATOM 8 N MET A 2 -17.298 6.048 1.142 1.00 64.54 N ATOM 9 CA MET A 2 -16.537 4.833 0.824 1.00 60.23 C ATOM 10 C MET A 2 -15.027 5.031 1.060 1.00 44.44 C ATOM 11 O MET A 2 -14.223 4.141 0.771 1.00 73.25 O ATOM 12 CB MET A 2 -16.854 4.412 -0.628 1.00 21.21 C ATOM 13 CG MET A 2 -16.770 5.555 -1.649 1.00 61.53 C ATOM 14 SD MET A 2 -17.021 5.056 -3.372 1.00 55.34 S ATOM 15 CE MET A 2 -16.887 6.682 -4.165 1.00 31.34 C ATOM 0 H MET A 2 -16.779 6.903 0.942 1.00 64.54 H new ATOM 0 HA MET A 2 -16.839 4.029 1.495 1.00 60.23 H new ATOM 0 HB2 MET A 2 -16.162 3.624 -0.925 1.00 21.21 H new ATOM 0 HB3 MET A 2 -17.856 3.985 -0.660 1.00 21.21 H new ATOM 0 HG2 MET A 2 -17.515 6.308 -1.392 1.00 61.53 H new ATOM 0 HG3 MET A 2 -15.793 6.030 -1.562 1.00 61.53 H new ATOM 0 HE1 MET A 2 -17.017 6.573 -5.242 1.00 31.34 H new ATOM 0 HE2 MET A 2 -17.659 7.343 -3.772 1.00 31.34 H new ATOM 0 HE3 MET A 2 -15.905 7.108 -3.959 1.00 31.34 H new ATOM 25 N GLN A 3 -14.633 6.189 1.607 1.00 74.54 N ATOM 26 CA GLN A 3 -13.280 6.739 1.571 1.00 2.04 C ATOM 27 C GLN A 3 -12.248 6.010 2.426 1.00 35.20 C ATOM 28 O GLN A 3 -11.137 6.494 2.561 1.00 62.25 O ATOM 29 CB GLN A 3 -13.323 8.216 1.991 1.00 44.01 C ATOM 30 CG GLN A 3 -12.595 9.107 0.981 1.00 4.30 C ATOM 31 CD GLN A 3 -13.395 9.304 -0.306 1.00 60.34 C ATOM 32 OE1 GLN A 3 -14.584 9.622 -0.284 1.00 32.32 O ATOM 33 NE2 GLN A 3 -12.747 9.200 -1.455 1.00 55.43 N ATOM 0 H GLN A 3 -15.284 6.793 2.109 1.00 74.54 H new ATOM 0 HA GLN A 3 -12.947 6.610 0.541 1.00 2.04 H new ATOM 0 HB2 GLN A 3 -14.360 8.539 2.082 1.00 44.01 H new ATOM 0 HB3 GLN A 3 -12.866 8.329 2.974 1.00 44.01 H new ATOM 0 HG2 GLN A 3 -12.397 10.078 1.434 1.00 4.30 H new ATOM 0 HG3 GLN A 3 -11.629 8.664 0.740 1.00 4.30 H new ATOM 0 HE21 GLN A 3 -11.762 8.936 -1.463 1.00 55.43 H new ATOM 0 HE22 GLN A 3 -13.233 9.384 -2.333 1.00 55.43 H new ATOM 42 N PHE A 4 -12.601 4.883 3.025 1.00 52.34 N ATOM 43 CA PHE A 4 -11.818 4.183 4.027 1.00 71.55 C ATOM 44 C PHE A 4 -11.666 2.740 3.585 1.00 1.42 C ATOM 45 O PHE A 4 -10.558 2.232 3.444 1.00 2.14 O ATOM 46 CB PHE A 4 -12.567 4.257 5.350 1.00 54.35 C ATOM 47 CG PHE A 4 -11.924 5.100 6.421 1.00 43.15 C ATOM 48 CD1 PHE A 4 -11.404 6.377 6.128 1.00 20.22 C ATOM 49 CD2 PHE A 4 -11.873 4.602 7.733 1.00 21.30 C ATOM 50 CE1 PHE A 4 -10.822 7.142 7.151 1.00 54.54 C ATOM 51 CE2 PHE A 4 -11.287 5.371 8.749 1.00 12.34 C ATOM 52 CZ PHE A 4 -10.760 6.643 8.464 1.00 55.52 C ATOM 0 H PHE A 4 -13.481 4.412 2.815 1.00 52.34 H new ATOM 0 HA PHE A 4 -10.831 4.629 4.146 1.00 71.55 H new ATOM 0 HB2 PHE A 4 -13.567 4.647 5.159 1.00 54.35 H new ATOM 0 HB3 PHE A 4 -12.688 3.244 5.735 1.00 54.35 H new ATOM 0 HD1 PHE A 4 -11.453 6.765 5.121 1.00 20.22 H new ATOM 0 HD2 PHE A 4 -12.284 3.629 7.959 1.00 21.30 H new ATOM 0 HE1 PHE A 4 -10.420 8.119 6.928 1.00 54.54 H new ATOM 0 HE2 PHE A 4 -11.240 4.984 9.756 1.00 12.34 H new ATOM 0 HZ PHE A 4 -10.310 7.233 9.249 1.00 55.52 H new ATOM 62 N LYS A 5 -12.793 2.089 3.286 1.00 63.23 N ATOM 63 CA LYS A 5 -12.786 0.743 2.726 1.00 75.34 C ATOM 64 C LYS A 5 -12.017 0.693 1.404 1.00 73.40 C ATOM 65 O LYS A 5 -11.456 -0.350 1.068 1.00 2.03 O ATOM 66 CB LYS A 5 -14.234 0.256 2.559 1.00 0.22 C ATOM 67 CG LYS A 5 -14.769 -0.272 3.900 1.00 2.41 C ATOM 68 CD LYS A 5 -16.296 -0.390 3.955 1.00 22.44 C ATOM 69 CE LYS A 5 -16.896 1.010 3.991 1.00 72.21 C ATOM 70 NZ LYS A 5 -18.340 1.025 4.297 1.00 4.35 N ATOM 0 H LYS A 5 -13.725 2.479 3.425 1.00 63.23 H new ATOM 0 HA LYS A 5 -12.267 0.074 3.413 1.00 75.34 H new ATOM 0 HB2 LYS A 5 -14.862 1.073 2.204 1.00 0.22 H new ATOM 0 HB3 LYS A 5 -14.277 -0.531 1.806 1.00 0.22 H new ATOM 0 HG2 LYS A 5 -14.331 -1.251 4.095 1.00 2.41 H new ATOM 0 HG3 LYS A 5 -14.436 0.390 4.699 1.00 2.41 H new ATOM 0 HD2 LYS A 5 -16.664 -0.936 3.086 1.00 22.44 H new ATOM 0 HD3 LYS A 5 -16.599 -0.953 4.837 1.00 22.44 H new ATOM 0 HE2 LYS A 5 -16.368 1.603 4.738 1.00 72.21 H new ATOM 0 HE3 LYS A 5 -16.732 1.492 3.027 1.00 72.21 H new ATOM 0 HZ1 LYS A 5 -18.683 2.007 4.306 1.00 4.35 H new ATOM 0 HZ2 LYS A 5 -18.854 0.485 3.572 1.00 4.35 H new ATOM 0 HZ3 LYS A 5 -18.502 0.594 5.229 1.00 4.35 H new ATOM 84 N ALA A 6 -11.983 1.792 0.643 1.00 2.43 N ATOM 85 CA ALA A 6 -11.172 1.874 -0.558 1.00 31.54 C ATOM 86 C ALA A 6 -9.719 2.058 -0.162 1.00 4.31 C ATOM 87 O ALA A 6 -8.850 1.279 -0.544 1.00 3.04 O ATOM 88 CB ALA A 6 -11.677 3.000 -1.465 1.00 44.22 C ATOM 0 H ALA A 6 -12.515 2.638 0.847 1.00 2.43 H new ATOM 0 HA ALA A 6 -11.252 0.950 -1.131 1.00 31.54 H new ATOM 0 HB1 ALA A 6 -11.059 3.050 -2.362 1.00 44.22 H new ATOM 0 HB2 ALA A 6 -12.711 2.804 -1.747 1.00 44.22 H new ATOM 0 HB3 ALA A 6 -11.620 3.949 -0.932 1.00 44.22 H new ATOM 94 N GLU A 7 -9.479 3.090 0.633 1.00 12.42 N ATOM 95 CA GLU A 7 -8.214 3.604 1.045 1.00 35.33 C ATOM 96 C GLU A 7 -7.405 2.510 1.736 1.00 55.40 C ATOM 97 O GLU A 7 -6.475 1.962 1.156 1.00 73.53 O ATOM 98 CB GLU A 7 -8.655 4.757 1.945 1.00 54.25 C ATOM 99 CG GLU A 7 -7.515 5.689 2.202 1.00 34.32 C ATOM 100 CD GLU A 7 -7.901 6.754 3.232 1.00 74.11 C ATOM 101 OE1 GLU A 7 -8.095 6.403 4.419 1.00 64.52 O ATOM 102 OE2 GLU A 7 -7.969 7.947 2.855 1.00 23.50 O ATOM 0 H GLU A 7 -10.247 3.627 1.034 1.00 12.42 H new ATOM 0 HA GLU A 7 -7.539 3.941 0.258 1.00 35.33 H new ATOM 0 HB2 GLU A 7 -9.476 5.299 1.475 1.00 54.25 H new ATOM 0 HB3 GLU A 7 -9.031 4.365 2.890 1.00 54.25 H new ATOM 0 HG2 GLU A 7 -6.654 5.126 2.561 1.00 34.32 H new ATOM 0 HG3 GLU A 7 -7.216 6.170 1.271 1.00 34.32 H new ATOM 109 N ALA A 8 -7.830 2.078 2.919 1.00 44.40 N ATOM 110 CA ALA A 8 -7.121 1.092 3.707 1.00 74.23 C ATOM 111 C ALA A 8 -6.990 -0.266 3.004 1.00 15.04 C ATOM 112 O ALA A 8 -6.124 -1.051 3.399 1.00 71.40 O ATOM 113 CB ALA A 8 -7.809 0.945 5.064 1.00 32.31 C ATOM 0 H ALA A 8 -8.688 2.411 3.358 1.00 44.40 H new ATOM 0 HA ALA A 8 -6.101 1.450 3.844 1.00 74.23 H new ATOM 0 HB1 ALA A 8 -7.279 0.203 5.662 1.00 32.31 H new ATOM 0 HB2 ALA A 8 -7.799 1.904 5.583 1.00 32.31 H new ATOM 0 HB3 ALA A 8 -8.840 0.623 4.916 1.00 32.31 H new ATOM 119 N ARG A 9 -7.812 -0.607 1.990 1.00 64.11 N ATOM 120 CA ARG A 9 -7.567 -1.852 1.246 1.00 2.32 C ATOM 121 C ARG A 9 -6.492 -1.620 0.182 1.00 22.55 C ATOM 122 O ARG A 9 -5.618 -2.469 0.039 1.00 1.42 O ATOM 123 CB ARG A 9 -8.876 -2.411 0.672 1.00 40.20 C ATOM 124 CG ARG A 9 -8.751 -3.790 -0.013 1.00 0.44 C ATOM 125 CD ARG A 9 -8.457 -4.974 0.924 1.00 32.43 C ATOM 126 NE ARG A 9 -9.611 -5.311 1.785 1.00 41.33 N ATOM 127 CZ ARG A 9 -10.138 -6.529 1.986 1.00 74.21 C ATOM 128 NH1 ARG A 9 -9.545 -7.627 1.535 1.00 44.00 N ATOM 129 NH2 ARG A 9 -11.286 -6.650 2.636 1.00 33.33 N ATOM 0 H ARG A 9 -8.617 -0.062 1.680 1.00 64.11 H new ATOM 0 HA ARG A 9 -7.185 -2.615 1.924 1.00 2.32 H new ATOM 0 HB2 ARG A 9 -9.606 -2.487 1.478 1.00 40.20 H new ATOM 0 HB3 ARG A 9 -9.273 -1.698 -0.050 1.00 40.20 H new ATOM 0 HG2 ARG A 9 -9.678 -3.995 -0.548 1.00 0.44 H new ATOM 0 HG3 ARG A 9 -7.958 -3.735 -0.759 1.00 0.44 H new ATOM 0 HD2 ARG A 9 -8.184 -5.846 0.329 1.00 32.43 H new ATOM 0 HD3 ARG A 9 -7.598 -4.734 1.550 1.00 32.43 H new ATOM 0 HE ARG A 9 -10.053 -4.536 2.278 1.00 41.33 H new ATOM 0 HH11 ARG A 9 -8.666 -7.558 1.021 1.00 44.00 H new ATOM 0 HH12 ARG A 9 -9.968 -8.540 1.702 1.00 44.00 H new ATOM 0 HH21 ARG A 9 -11.766 -5.819 2.982 1.00 33.33 H new ATOM 0 HH22 ARG A 9 -11.690 -7.574 2.791 1.00 33.33 H new ATOM 143 N ARG A 10 -6.490 -0.484 -0.528 1.00 43.12 N ATOM 144 CA ARG A 10 -5.387 -0.082 -1.414 1.00 11.21 C ATOM 145 C ARG A 10 -4.084 -0.129 -0.620 1.00 73.22 C ATOM 146 O ARG A 10 -3.126 -0.758 -1.063 1.00 3.35 O ATOM 147 CB ARG A 10 -5.687 1.316 -2.011 1.00 54.31 C ATOM 148 CG ARG A 10 -4.644 1.804 -3.035 1.00 42.01 C ATOM 149 CD ARG A 10 -3.924 3.098 -2.634 1.00 32.43 C ATOM 150 NE ARG A 10 -4.663 4.347 -2.907 1.00 15.41 N ATOM 151 CZ ARG A 10 -4.845 5.357 -2.041 1.00 14.01 C ATOM 152 NH1 ARG A 10 -4.861 5.164 -0.731 1.00 52.45 N ATOM 153 NH2 ARG A 10 -5.022 6.578 -2.521 1.00 0.43 N ATOM 0 H ARG A 10 -7.258 0.187 -0.504 1.00 43.12 H new ATOM 0 HA ARG A 10 -5.284 -0.766 -2.257 1.00 11.21 H new ATOM 0 HB2 ARG A 10 -6.666 1.291 -2.490 1.00 54.31 H new ATOM 0 HB3 ARG A 10 -5.748 2.040 -1.198 1.00 54.31 H new ATOM 0 HG2 ARG A 10 -3.902 1.020 -3.182 1.00 42.01 H new ATOM 0 HG3 ARG A 10 -5.138 1.959 -3.994 1.00 42.01 H new ATOM 0 HD2 ARG A 10 -3.701 3.054 -1.568 1.00 32.43 H new ATOM 0 HD3 ARG A 10 -2.969 3.139 -3.158 1.00 32.43 H new ATOM 0 HE ARG A 10 -5.071 4.452 -3.836 1.00 15.41 H new ATOM 0 HH11 ARG A 10 -4.733 4.226 -0.352 1.00 52.45 H new ATOM 0 HH12 ARG A 10 -5.002 5.954 -0.101 1.00 52.45 H new ATOM 0 HH21 ARG A 10 -5.018 6.735 -3.529 1.00 0.43 H new ATOM 0 HH22 ARG A 10 -5.162 7.361 -1.883 1.00 0.43 H new ATOM 167 N ASN A 11 -4.083 0.469 0.564 1.00 13.12 N ATOM 168 CA ASN A 11 -2.900 0.658 1.394 1.00 40.22 C ATOM 169 C ASN A 11 -2.396 -0.702 1.867 1.00 22.35 C ATOM 170 O ASN A 11 -1.239 -1.057 1.644 1.00 52.40 O ATOM 171 CB ASN A 11 -3.218 1.631 2.552 1.00 24.11 C ATOM 172 CG ASN A 11 -3.697 3.000 2.047 1.00 2.34 C ATOM 173 OD1 ASN A 11 -3.868 3.188 0.849 1.00 55.32 O ATOM 174 ND2 ASN A 11 -4.028 3.944 2.905 1.00 51.14 N ATOM 0 H ASN A 11 -4.931 0.847 0.986 1.00 13.12 H new ATOM 0 HA ASN A 11 -2.095 1.117 0.820 1.00 40.22 H new ATOM 0 HB2 ASN A 11 -3.985 1.193 3.191 1.00 24.11 H new ATOM 0 HB3 ASN A 11 -2.328 1.764 3.167 1.00 24.11 H new ATOM 0 HD21 ASN A 11 -4.423 4.822 2.569 1.00 51.14 H new ATOM 0 HD22 ASN A 11 -3.889 3.796 3.905 1.00 51.14 H new ATOM 181 N LYS A 12 -3.283 -1.525 2.448 1.00 60.43 N ATOM 182 CA LYS A 12 -2.943 -2.889 2.857 1.00 34.32 C ATOM 183 C LYS A 12 -2.338 -3.674 1.691 1.00 71.21 C ATOM 184 O LYS A 12 -1.244 -4.214 1.832 1.00 71.23 O ATOM 185 CB LYS A 12 -4.173 -3.588 3.459 1.00 14.22 C ATOM 186 CG LYS A 12 -3.810 -4.973 4.004 1.00 23.21 C ATOM 187 CD LYS A 12 -4.999 -5.672 4.661 1.00 13.15 C ATOM 188 CE LYS A 12 -4.575 -7.108 4.964 1.00 73.13 C ATOM 189 NZ LYS A 12 -5.659 -7.892 5.576 1.00 34.24 N ATOM 0 H LYS A 12 -4.249 -1.262 2.645 1.00 60.43 H new ATOM 0 HA LYS A 12 -2.181 -2.846 3.635 1.00 34.32 H new ATOM 0 HB2 LYS A 12 -4.587 -2.976 4.260 1.00 14.22 H new ATOM 0 HB3 LYS A 12 -4.948 -3.685 2.699 1.00 14.22 H new ATOM 0 HG2 LYS A 12 -3.432 -5.593 3.191 1.00 23.21 H new ATOM 0 HG3 LYS A 12 -3.004 -4.874 4.731 1.00 23.21 H new ATOM 0 HD2 LYS A 12 -5.289 -5.156 5.576 1.00 13.15 H new ATOM 0 HD3 LYS A 12 -5.865 -5.659 3.999 1.00 13.15 H new ATOM 0 HE2 LYS A 12 -4.255 -7.593 4.041 1.00 73.13 H new ATOM 0 HE3 LYS A 12 -3.715 -7.097 5.633 1.00 73.13 H new ATOM 0 HZ1 LYS A 12 -5.325 -8.859 5.764 1.00 34.24 H new ATOM 0 HZ2 LYS A 12 -5.948 -7.446 6.470 1.00 34.24 H new ATOM 0 HZ3 LYS A 12 -6.471 -7.926 4.928 1.00 34.24 H new ATOM 203 N LEU A 13 -3.011 -3.701 0.535 1.00 35.21 N ATOM 204 CA LEU A 13 -2.535 -4.425 -0.640 1.00 40.41 C ATOM 205 C LEU A 13 -1.142 -3.965 -1.066 1.00 33.15 C ATOM 206 O LEU A 13 -0.343 -4.815 -1.456 1.00 35.41 O ATOM 207 CB LEU A 13 -3.488 -4.271 -1.832 1.00 44.32 C ATOM 208 CG LEU A 13 -4.779 -5.089 -1.796 1.00 1.05 C ATOM 209 CD1 LEU A 13 -5.601 -4.690 -3.031 1.00 40.01 C ATOM 210 CD2 LEU A 13 -4.466 -6.586 -1.817 1.00 1.02 C ATOM 0 H LEU A 13 -3.899 -3.221 0.392 1.00 35.21 H new ATOM 0 HA LEU A 13 -2.494 -5.474 -0.346 1.00 40.41 H new ATOM 0 HB2 LEU A 13 -3.756 -3.218 -1.918 1.00 44.32 H new ATOM 0 HB3 LEU A 13 -2.943 -4.536 -2.738 1.00 44.32 H new ATOM 0 HG LEU A 13 -5.338 -4.889 -0.882 1.00 1.05 H new ATOM 0 HD11 LEU A 13 -6.534 -5.253 -3.044 1.00 40.01 H new ATOM 0 HD12 LEU A 13 -5.821 -3.623 -2.992 1.00 40.01 H new ATOM 0 HD13 LEU A 13 -5.032 -4.911 -3.934 1.00 40.01 H new ATOM 0 HD21 LEU A 13 -5.397 -7.153 -1.791 1.00 1.02 H new ATOM 0 HD22 LEU A 13 -3.918 -6.830 -2.727 1.00 1.02 H new ATOM 0 HD23 LEU A 13 -3.860 -6.843 -0.948 1.00 1.02 H new ATOM 222 N MET A 14 -0.827 -2.660 -1.018 1.00 60.10 N ATOM 223 CA MET A 14 0.509 -2.200 -1.373 1.00 0.35 C ATOM 224 C MET A 14 1.550 -2.884 -0.489 1.00 34.43 C ATOM 225 O MET A 14 2.578 -3.340 -0.992 1.00 75.40 O ATOM 226 CB MET A 14 0.631 -0.673 -1.263 1.00 1.24 C ATOM 227 CG MET A 14 1.858 -0.242 -2.080 1.00 75.21 C ATOM 228 SD MET A 14 2.508 1.418 -1.805 1.00 13.45 S ATOM 229 CE MET A 14 3.816 1.383 -3.054 1.00 4.14 C ATOM 0 H MET A 14 -1.474 -1.922 -0.740 1.00 60.10 H new ATOM 0 HA MET A 14 0.691 -2.469 -2.414 1.00 0.35 H new ATOM 0 HB2 MET A 14 -0.269 -0.189 -1.641 1.00 1.24 H new ATOM 0 HB3 MET A 14 0.741 -0.372 -0.221 1.00 1.24 H new ATOM 0 HG2 MET A 14 2.660 -0.953 -1.881 1.00 75.21 H new ATOM 0 HG3 MET A 14 1.606 -0.333 -3.137 1.00 75.21 H new ATOM 0 HE1 MET A 14 4.183 2.395 -3.225 1.00 4.14 H new ATOM 0 HE2 MET A 14 4.635 0.754 -2.705 1.00 4.14 H new ATOM 0 HE3 MET A 14 3.419 0.979 -3.985 1.00 4.14 H new ATOM 239 N GLY A 15 1.261 -3.010 0.807 1.00 0.45 N ATOM 240 CA GLY A 15 2.143 -3.669 1.745 1.00 4.44 C ATOM 241 C GLY A 15 2.445 -5.108 1.345 1.00 74.20 C ATOM 242 O GLY A 15 3.601 -5.488 1.440 1.00 32.53 O ATOM 0 H GLY A 15 0.403 -2.653 1.228 1.00 0.45 H new ATOM 0 HA2 GLY A 15 3.077 -3.111 1.816 1.00 4.44 H new ATOM 0 HA3 GLY A 15 1.689 -3.658 2.736 1.00 4.44 H new ATOM 246 N LEU A 16 1.477 -5.902 0.868 1.00 63.50 N ATOM 247 CA LEU A 16 1.744 -7.286 0.471 1.00 43.42 C ATOM 248 C LEU A 16 2.712 -7.351 -0.716 1.00 60.10 C ATOM 249 O LEU A 16 3.551 -8.251 -0.776 1.00 23.54 O ATOM 250 CB LEU A 16 0.445 -8.030 0.114 1.00 21.13 C ATOM 251 CG LEU A 16 -0.423 -8.566 1.268 1.00 35.33 C ATOM 252 CD1 LEU A 16 0.372 -9.304 2.353 1.00 3.02 C ATOM 253 CD2 LEU A 16 -1.293 -7.479 1.900 1.00 2.42 C ATOM 0 H LEU A 16 0.507 -5.609 0.749 1.00 63.50 H new ATOM 0 HA LEU A 16 2.205 -7.775 1.329 1.00 43.42 H new ATOM 0 HB2 LEU A 16 -0.171 -7.358 -0.483 1.00 21.13 H new ATOM 0 HB3 LEU A 16 0.708 -8.873 -0.525 1.00 21.13 H new ATOM 0 HG LEU A 16 -1.075 -9.301 0.796 1.00 35.33 H new ATOM 0 HD11 LEU A 16 -0.309 -9.651 3.130 1.00 3.02 H new ATOM 0 HD12 LEU A 16 0.884 -10.159 1.911 1.00 3.02 H new ATOM 0 HD13 LEU A 16 1.106 -8.627 2.790 1.00 3.02 H new ATOM 0 HD21 LEU A 16 -1.884 -7.910 2.708 1.00 2.42 H new ATOM 0 HD22 LEU A 16 -0.656 -6.689 2.298 1.00 2.42 H new ATOM 0 HD23 LEU A 16 -1.959 -7.062 1.145 1.00 2.42 H new ATOM 265 N TRP A 17 2.606 -6.418 -1.667 1.00 15.31 N ATOM 266 CA TRP A 17 3.542 -6.340 -2.785 1.00 44.10 C ATOM 267 C TRP A 17 4.928 -5.942 -2.275 1.00 60.21 C ATOM 268 O TRP A 17 5.895 -6.660 -2.522 1.00 35.54 O ATOM 269 CB TRP A 17 3.034 -5.380 -3.875 1.00 32.53 C ATOM 270 CG TRP A 17 3.949 -5.273 -5.060 1.00 4.23 C ATOM 271 CD1 TRP A 17 4.143 -6.235 -5.987 1.00 23.23 C ATOM 272 CD2 TRP A 17 4.858 -4.193 -5.432 1.00 40.23 C ATOM 273 NE1 TRP A 17 5.134 -5.856 -6.866 1.00 43.00 N ATOM 274 CE2 TRP A 17 5.609 -4.598 -6.575 1.00 75.53 C ATOM 275 CE3 TRP A 17 5.116 -2.902 -4.931 1.00 44.23 C ATOM 276 CZ2 TRP A 17 6.577 -3.777 -7.171 1.00 72.50 C ATOM 277 CZ3 TRP A 17 6.043 -2.050 -5.559 1.00 1.22 C ATOM 278 CH2 TRP A 17 6.786 -2.485 -6.671 1.00 12.23 C ATOM 0 H TRP A 17 1.877 -5.705 -1.682 1.00 15.31 H new ATOM 0 HA TRP A 17 3.619 -7.324 -3.248 1.00 44.10 H new ATOM 0 HB2 TRP A 17 2.054 -5.715 -4.213 1.00 32.53 H new ATOM 0 HB3 TRP A 17 2.900 -4.389 -3.440 1.00 32.53 H new ATOM 0 HD1 TRP A 17 3.600 -7.167 -6.033 1.00 23.23 H new ATOM 0 HE1 TRP A 17 5.472 -6.435 -7.635 1.00 43.00 H new ATOM 0 HE3 TRP A 17 4.593 -2.560 -4.050 1.00 44.23 H new ATOM 0 HZ2 TRP A 17 7.156 -4.137 -8.008 1.00 72.50 H new ATOM 0 HZ3 TRP A 17 6.186 -1.048 -5.182 1.00 1.22 H new ATOM 0 HH2 TRP A 17 7.509 -1.831 -7.134 1.00 12.23 H new ATOM 289 N VAL A 18 5.036 -4.817 -1.561 1.00 0.34 N ATOM 290 CA VAL A 18 6.322 -4.314 -1.081 1.00 24.13 C ATOM 291 C VAL A 18 6.992 -5.369 -0.190 1.00 62.22 C ATOM 292 O VAL A 18 8.174 -5.638 -0.374 1.00 13.24 O ATOM 293 CB VAL A 18 6.151 -2.943 -0.392 1.00 60.22 C ATOM 294 CG1 VAL A 18 7.468 -2.412 0.189 1.00 20.33 C ATOM 295 CG2 VAL A 18 5.623 -1.880 -1.370 1.00 42.42 C ATOM 0 H VAL A 18 4.239 -4.235 -1.302 1.00 0.34 H new ATOM 0 HA VAL A 18 6.991 -4.141 -1.924 1.00 24.13 H new ATOM 0 HB VAL A 18 5.435 -3.114 0.412 1.00 60.22 H new ATOM 0 HG11 VAL A 18 7.293 -1.446 0.662 1.00 20.33 H new ATOM 0 HG12 VAL A 18 7.849 -3.115 0.930 1.00 20.33 H new ATOM 0 HG13 VAL A 18 8.199 -2.297 -0.612 1.00 20.33 H new ATOM 0 HG21 VAL A 18 5.515 -0.928 -0.850 1.00 42.42 H new ATOM 0 HG22 VAL A 18 6.325 -1.765 -2.196 1.00 42.42 H new ATOM 0 HG23 VAL A 18 4.654 -2.193 -1.759 1.00 42.42 H new ATOM 305 N ALA A 19 6.254 -6.023 0.711 1.00 4.42 N ATOM 306 CA ALA A 19 6.779 -7.052 1.596 1.00 60.44 C ATOM 307 C ALA A 19 7.424 -8.194 0.803 1.00 41.34 C ATOM 308 O ALA A 19 8.526 -8.614 1.141 1.00 41.43 O ATOM 309 CB ALA A 19 5.669 -7.571 2.508 1.00 22.11 C ATOM 0 H ALA A 19 5.258 -5.845 0.844 1.00 4.42 H new ATOM 0 HA ALA A 19 7.560 -6.610 2.215 1.00 60.44 H new ATOM 0 HB1 ALA A 19 6.070 -8.341 3.167 1.00 22.11 H new ATOM 0 HB2 ALA A 19 5.276 -6.749 3.107 1.00 22.11 H new ATOM 0 HB3 ALA A 19 4.868 -7.994 1.902 1.00 22.11 H new ATOM 315 N GLU A 20 6.788 -8.676 -0.266 1.00 73.14 N ATOM 316 CA GLU A 20 7.376 -9.714 -1.105 1.00 51.33 C ATOM 317 C GLU A 20 8.667 -9.221 -1.767 1.00 40.10 C ATOM 318 O GLU A 20 9.638 -9.975 -1.835 1.00 43.11 O ATOM 319 CB GLU A 20 6.342 -10.194 -2.130 1.00 62.53 C ATOM 320 CG GLU A 20 6.986 -11.029 -3.249 1.00 73.21 C ATOM 321 CD GLU A 20 5.988 -11.791 -4.116 1.00 35.13 C ATOM 322 OE1 GLU A 20 4.761 -11.599 -3.978 1.00 13.05 O ATOM 323 OE2 GLU A 20 6.437 -12.598 -4.968 1.00 71.10 O ATOM 0 H GLU A 20 5.866 -8.362 -0.569 1.00 73.14 H new ATOM 0 HA GLU A 20 7.654 -10.566 -0.484 1.00 51.33 H new ATOM 0 HB2 GLU A 20 5.581 -10.789 -1.626 1.00 62.53 H new ATOM 0 HB3 GLU A 20 5.836 -9.332 -2.566 1.00 62.53 H new ATOM 0 HG2 GLU A 20 7.574 -10.369 -3.887 1.00 73.21 H new ATOM 0 HG3 GLU A 20 7.680 -11.741 -2.802 1.00 73.21 H new ATOM 330 N VAL A 21 8.715 -7.970 -2.230 1.00 32.14 N ATOM 331 CA VAL A 21 9.937 -7.389 -2.785 1.00 55.41 C ATOM 332 C VAL A 21 11.018 -7.283 -1.692 1.00 23.34 C ATOM 333 O VAL A 21 12.192 -7.476 -1.987 1.00 41.11 O ATOM 334 CB VAL A 21 9.603 -6.044 -3.472 1.00 62.31 C ATOM 335 CG1 VAL A 21 10.841 -5.340 -4.042 1.00 21.44 C ATOM 336 CG2 VAL A 21 8.621 -6.240 -4.647 1.00 2.43 C ATOM 0 H VAL A 21 7.915 -7.337 -2.231 1.00 32.14 H new ATOM 0 HA VAL A 21 10.356 -8.036 -3.556 1.00 55.41 H new ATOM 0 HB VAL A 21 9.162 -5.431 -2.686 1.00 62.31 H new ATOM 0 HG11 VAL A 21 10.543 -4.402 -4.511 1.00 21.44 H new ATOM 0 HG12 VAL A 21 11.546 -5.134 -3.236 1.00 21.44 H new ATOM 0 HG13 VAL A 21 11.315 -5.982 -4.784 1.00 21.44 H new ATOM 0 HG21 VAL A 21 8.407 -5.275 -5.107 1.00 2.43 H new ATOM 0 HG22 VAL A 21 9.067 -6.905 -5.387 1.00 2.43 H new ATOM 0 HG23 VAL A 21 7.694 -6.679 -4.277 1.00 2.43 H new ATOM 346 N LEU A 22 10.644 -7.063 -0.428 1.00 13.35 N ATOM 347 CA LEU A 22 11.512 -7.126 0.756 1.00 35.15 C ATOM 348 C LEU A 22 11.876 -8.572 1.148 1.00 41.20 C ATOM 349 O LEU A 22 12.579 -8.770 2.142 1.00 64.54 O ATOM 350 CB LEU A 22 10.811 -6.413 1.939 1.00 23.23 C ATOM 351 CG LEU A 22 11.154 -4.926 2.126 1.00 53.14 C ATOM 352 CD1 LEU A 22 10.976 -4.084 0.862 1.00 42.31 C ATOM 353 CD2 LEU A 22 10.242 -4.340 3.211 1.00 73.53 C ATOM 0 H LEU A 22 9.682 -6.824 -0.189 1.00 13.35 H new ATOM 0 HA LEU A 22 12.447 -6.622 0.510 1.00 35.15 H new ATOM 0 HB2 LEU A 22 9.733 -6.503 1.805 1.00 23.23 H new ATOM 0 HB3 LEU A 22 11.063 -6.942 2.858 1.00 23.23 H new ATOM 0 HG LEU A 22 12.209 -4.887 2.398 1.00 53.14 H new ATOM 0 HD11 LEU A 22 11.238 -3.048 1.075 1.00 42.31 H new ATOM 0 HD12 LEU A 22 11.625 -4.467 0.075 1.00 42.31 H new ATOM 0 HD13 LEU A 22 9.938 -4.136 0.533 1.00 42.31 H new ATOM 0 HD21 LEU A 22 10.476 -3.285 3.352 1.00 73.53 H new ATOM 0 HD22 LEU A 22 9.201 -4.443 2.906 1.00 73.53 H new ATOM 0 HD23 LEU A 22 10.400 -4.875 4.147 1.00 73.53 H new ATOM 365 N GLY A 23 11.394 -9.588 0.426 1.00 73.14 N ATOM 366 CA GLY A 23 11.626 -10.992 0.745 1.00 44.02 C ATOM 367 C GLY A 23 10.985 -11.389 2.074 1.00 31.35 C ATOM 368 O GLY A 23 11.552 -12.190 2.820 1.00 51.41 O ATOM 0 H GLY A 23 10.823 -9.452 -0.408 1.00 73.14 H new ATOM 0 HA2 GLY A 23 11.224 -11.617 -0.053 1.00 44.02 H new ATOM 0 HA3 GLY A 23 12.698 -11.182 0.788 1.00 44.02 H new ATOM 372 N LYS A 24 9.871 -10.758 2.448 1.00 12.11 N ATOM 373 CA LYS A 24 9.061 -11.141 3.601 1.00 53.31 C ATOM 374 C LYS A 24 7.981 -12.099 3.120 1.00 41.40 C ATOM 375 O LYS A 24 7.609 -12.075 1.945 1.00 0.44 O ATOM 376 CB LYS A 24 8.411 -9.899 4.214 1.00 54.10 C ATOM 377 CG LYS A 24 9.431 -8.974 4.888 1.00 22.21 C ATOM 378 CD LYS A 24 8.798 -7.629 5.263 1.00 31.52 C ATOM 379 CE LYS A 24 9.764 -6.797 6.121 1.00 42.34 C ATOM 380 NZ LYS A 24 9.872 -7.293 7.510 1.00 62.21 N ATOM 0 H LYS A 24 9.501 -9.951 1.947 1.00 12.11 H new ATOM 0 HA LYS A 24 9.684 -11.618 4.358 1.00 53.31 H new ATOM 0 HB2 LYS A 24 7.884 -9.347 3.436 1.00 54.10 H new ATOM 0 HB3 LYS A 24 7.665 -10.207 4.947 1.00 54.10 H new ATOM 0 HG2 LYS A 24 9.826 -9.455 5.783 1.00 22.21 H new ATOM 0 HG3 LYS A 24 10.274 -8.808 4.217 1.00 22.21 H new ATOM 0 HD2 LYS A 24 8.539 -7.078 4.359 1.00 31.52 H new ATOM 0 HD3 LYS A 24 7.870 -7.797 5.810 1.00 31.52 H new ATOM 0 HE2 LYS A 24 10.751 -6.806 5.660 1.00 42.34 H new ATOM 0 HE3 LYS A 24 9.428 -5.760 6.136 1.00 42.34 H new ATOM 0 HZ1 LYS A 24 10.644 -6.795 7.997 1.00 62.21 H new ATOM 0 HZ2 LYS A 24 8.977 -7.120 8.011 1.00 62.21 H new ATOM 0 HZ3 LYS A 24 10.071 -8.314 7.500 1.00 62.21 H new ATOM 394 N SER A 25 7.435 -12.907 4.023 1.00 52.00 N ATOM 395 CA SER A 25 6.387 -13.871 3.699 1.00 53.32 C ATOM 396 C SER A 25 5.508 -14.126 4.927 1.00 4.02 C ATOM 397 O SER A 25 5.739 -13.535 5.983 1.00 31.42 O ATOM 398 CB SER A 25 7.034 -15.161 3.164 1.00 33.51 C ATOM 399 OG SER A 25 7.471 -14.995 1.823 1.00 72.13 O ATOM 0 H SER A 25 7.708 -12.912 5.006 1.00 52.00 H new ATOM 0 HA SER A 25 5.737 -13.474 2.920 1.00 53.32 H new ATOM 0 HB2 SER A 25 7.880 -15.436 3.794 1.00 33.51 H new ATOM 0 HB3 SER A 25 6.317 -15.980 3.218 1.00 33.51 H new ATOM 0 HG SER A 25 7.465 -14.042 1.593 1.00 72.13 H new ATOM 405 N GLY A 26 4.497 -14.982 4.777 1.00 32.32 N ATOM 406 CA GLY A 26 3.589 -15.454 5.806 1.00 2.41 C ATOM 407 C GLY A 26 3.029 -14.316 6.645 1.00 75.10 C ATOM 408 O GLY A 26 2.229 -13.498 6.172 1.00 2.41 O ATOM 0 H GLY A 26 4.282 -15.388 3.867 1.00 32.32 H new ATOM 0 HA2 GLY A 26 2.767 -15.999 5.341 1.00 2.41 H new ATOM 0 HA3 GLY A 26 4.111 -16.158 6.454 1.00 2.41 H new ATOM 412 N ASP A 27 3.443 -14.282 7.908 1.00 33.23 N ATOM 413 CA ASP A 27 2.961 -13.313 8.878 1.00 60.43 C ATOM 414 C ASP A 27 3.770 -12.032 8.839 1.00 44.10 C ATOM 415 O ASP A 27 3.214 -10.982 9.151 1.00 43.12 O ATOM 416 CB ASP A 27 2.968 -13.893 10.296 1.00 32.33 C ATOM 417 CG ASP A 27 1.539 -14.252 10.683 1.00 71.22 C ATOM 418 OD1 ASP A 27 1.050 -15.315 10.232 1.00 52.43 O ATOM 419 OD2 ASP A 27 0.867 -13.405 11.313 1.00 33.11 O ATOM 0 H ASP A 27 4.129 -14.934 8.287 1.00 33.23 H new ATOM 0 HA ASP A 27 1.933 -13.077 8.603 1.00 60.43 H new ATOM 0 HB2 ASP A 27 3.605 -14.777 10.340 1.00 32.33 H new ATOM 0 HB3 ASP A 27 3.379 -13.168 10.999 1.00 32.33 H new ATOM 424 N GLU A 28 5.036 -12.077 8.405 1.00 74.23 N ATOM 425 CA GLU A 28 5.858 -10.889 8.285 1.00 31.42 C ATOM 426 C GLU A 28 5.207 -9.953 7.269 1.00 15.55 C ATOM 427 O GLU A 28 5.033 -8.764 7.542 1.00 75.02 O ATOM 428 CB GLU A 28 7.286 -11.248 7.830 1.00 35.05 C ATOM 429 CG GLU A 28 8.332 -11.259 8.948 1.00 24.41 C ATOM 430 CD GLU A 28 9.676 -10.706 8.469 1.00 0.13 C ATOM 431 OE1 GLU A 28 10.299 -11.290 7.558 1.00 23.05 O ATOM 432 OE2 GLU A 28 10.088 -9.625 8.956 1.00 71.31 O ATOM 0 H GLU A 28 5.508 -12.939 8.131 1.00 74.23 H new ATOM 0 HA GLU A 28 5.932 -10.402 9.257 1.00 31.42 H new ATOM 0 HB2 GLU A 28 7.266 -12.231 7.360 1.00 35.05 H new ATOM 0 HB3 GLU A 28 7.599 -10.536 7.066 1.00 35.05 H new ATOM 0 HG2 GLU A 28 7.973 -10.665 9.789 1.00 24.41 H new ATOM 0 HG3 GLU A 28 8.466 -12.278 9.311 1.00 24.41 H new ATOM 439 N ALA A 29 4.803 -10.491 6.113 1.00 0.31 N ATOM 440 CA ALA A 29 4.136 -9.710 5.080 1.00 52.12 C ATOM 441 C ALA A 29 2.801 -9.134 5.572 1.00 40.23 C ATOM 442 O ALA A 29 2.412 -8.040 5.166 1.00 13.01 O ATOM 443 CB ALA A 29 3.937 -10.574 3.829 1.00 3.12 C ATOM 0 H ALA A 29 4.931 -11.474 5.873 1.00 0.31 H new ATOM 0 HA ALA A 29 4.771 -8.860 4.829 1.00 52.12 H new ATOM 0 HB1 ALA A 29 3.438 -9.988 3.058 1.00 3.12 H new ATOM 0 HB2 ALA A 29 4.906 -10.909 3.460 1.00 3.12 H new ATOM 0 HB3 ALA A 29 3.325 -11.441 4.079 1.00 3.12 H new ATOM 449 N ASN A 30 2.104 -9.841 6.463 1.00 13.53 N ATOM 450 CA ASN A 30 0.831 -9.395 7.021 1.00 55.33 C ATOM 451 C ASN A 30 1.076 -8.269 8.024 1.00 60.32 C ATOM 452 O ASN A 30 0.333 -7.287 8.032 1.00 43.43 O ATOM 453 CB ASN A 30 0.056 -10.553 7.678 1.00 75.22 C ATOM 454 CG ASN A 30 -0.954 -11.186 6.726 1.00 73.41 C ATOM 455 OD1 ASN A 30 -1.845 -10.509 6.222 1.00 2.51 O ATOM 456 ND2 ASN A 30 -0.896 -12.483 6.486 1.00 13.32 N ATOM 0 H ASN A 30 2.411 -10.746 6.819 1.00 13.53 H new ATOM 0 HA ASN A 30 0.214 -9.022 6.204 1.00 55.33 H new ATOM 0 HB2 ASN A 30 0.760 -11.313 8.015 1.00 75.22 H new ATOM 0 HB3 ASN A 30 -0.463 -10.184 8.563 1.00 75.22 H new ATOM 0 HD21 ASN A 30 -1.591 -12.922 5.882 1.00 13.32 H new ATOM 0 HD22 ASN A 30 -0.156 -13.046 6.904 1.00 13.32 H new ATOM 463 N ALA A 31 2.113 -8.380 8.859 1.00 60.32 N ATOM 464 CA ALA A 31 2.527 -7.329 9.779 1.00 75.10 C ATOM 465 C ALA A 31 2.982 -6.085 9.013 1.00 43.42 C ATOM 466 O ALA A 31 2.624 -4.963 9.381 1.00 75.20 O ATOM 467 CB ALA A 31 3.631 -7.852 10.703 1.00 21.31 C ATOM 0 H ALA A 31 2.694 -9.217 8.912 1.00 60.32 H new ATOM 0 HA ALA A 31 1.675 -7.039 10.393 1.00 75.10 H new ATOM 0 HB1 ALA A 31 3.936 -7.062 11.389 1.00 21.31 H new ATOM 0 HB2 ALA A 31 3.256 -8.702 11.273 1.00 21.31 H new ATOM 0 HB3 ALA A 31 4.487 -8.165 10.106 1.00 21.31 H new ATOM 473 N TYR A 32 3.721 -6.282 7.918 1.00 15.54 N ATOM 474 CA TYR A 32 4.169 -5.197 7.056 1.00 4.35 C ATOM 475 C TYR A 32 2.955 -4.461 6.479 1.00 21.44 C ATOM 476 O TYR A 32 2.882 -3.230 6.459 1.00 22.45 O ATOM 477 CB TYR A 32 5.065 -5.759 5.947 1.00 51.31 C ATOM 478 CG TYR A 32 5.749 -4.663 5.164 1.00 0.41 C ATOM 479 CD1 TYR A 32 5.121 -4.096 4.042 1.00 63.54 C ATOM 480 CD2 TYR A 32 6.978 -4.149 5.613 1.00 42.13 C ATOM 481 CE1 TYR A 32 5.706 -2.997 3.390 1.00 1.22 C ATOM 482 CE2 TYR A 32 7.557 -3.042 4.972 1.00 54.13 C ATOM 483 CZ TYR A 32 6.902 -2.432 3.883 1.00 60.24 C ATOM 484 OH TYR A 32 7.379 -1.273 3.355 1.00 61.50 O ATOM 0 H TYR A 32 4.024 -7.205 7.607 1.00 15.54 H new ATOM 0 HA TYR A 32 4.754 -4.480 7.633 1.00 4.35 H new ATOM 0 HB2 TYR A 32 5.817 -6.415 6.386 1.00 51.31 H new ATOM 0 HB3 TYR A 32 4.466 -6.368 5.270 1.00 51.31 H new ATOM 0 HD1 TYR A 32 4.189 -4.505 3.681 1.00 63.54 H new ATOM 0 HD2 TYR A 32 7.478 -4.607 6.453 1.00 42.13 H new ATOM 0 HE1 TYR A 32 5.239 -2.583 2.509 1.00 1.22 H new ATOM 0 HE2 TYR A 32 8.506 -2.657 5.314 1.00 54.13 H new ATOM 0 HH TYR A 32 7.661 -0.675 4.079 1.00 61.50 H new ATOM 494 N ALA A 33 1.941 -5.219 6.059 1.00 33.32 N ATOM 495 CA ALA A 33 0.696 -4.677 5.546 1.00 0.15 C ATOM 496 C ALA A 33 -0.153 -3.947 6.607 1.00 11.15 C ATOM 497 O ALA A 33 -1.258 -3.498 6.283 1.00 62.11 O ATOM 498 CB ALA A 33 -0.091 -5.809 4.884 1.00 53.30 C ATOM 0 H ALA A 33 1.968 -6.239 6.068 1.00 33.32 H new ATOM 0 HA ALA A 33 0.945 -3.908 4.815 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -1.030 -5.419 4.493 1.00 53.30 H new ATOM 0 HB2 ALA A 33 0.495 -6.230 4.067 1.00 53.30 H new ATOM 0 HB3 ALA A 33 -0.299 -6.586 5.620 1.00 53.30 H new ATOM 504 N ALA A 34 0.304 -3.824 7.862 1.00 41.34 N ATOM 505 CA ALA A 34 -0.328 -3.002 8.888 1.00 1.43 C ATOM 506 C ALA A 34 0.373 -1.649 9.022 1.00 73.44 C ATOM 507 O ALA A 34 -0.316 -0.627 9.008 1.00 21.43 O ATOM 508 CB ALA A 34 -0.370 -3.745 10.225 1.00 44.44 C ATOM 0 H ALA A 34 1.140 -4.305 8.192 1.00 41.34 H new ATOM 0 HA ALA A 34 -1.355 -2.806 8.581 1.00 1.43 H new ATOM 0 HB1 ALA A 34 -0.845 -3.115 10.977 1.00 44.44 H new ATOM 0 HB2 ALA A 34 -0.940 -4.667 10.111 1.00 44.44 H new ATOM 0 HB3 ALA A 34 0.646 -3.983 10.541 1.00 44.44 H new ATOM 514 N GLU A 35 1.706 -1.611 9.116 1.00 75.44 N ATOM 515 CA GLU A 35 2.445 -0.349 9.239 1.00 1.24 C ATOM 516 C GLU A 35 2.162 0.553 8.038 1.00 2.35 C ATOM 517 O GLU A 35 1.880 1.738 8.209 1.00 43.12 O ATOM 518 CB GLU A 35 3.958 -0.558 9.435 1.00 3.25 C ATOM 519 CG GLU A 35 4.599 -1.564 8.475 1.00 41.53 C ATOM 520 CD GLU A 35 6.085 -1.761 8.750 1.00 1.32 C ATOM 521 OE1 GLU A 35 6.868 -0.816 8.547 1.00 43.23 O ATOM 522 OE2 GLU A 35 6.487 -2.874 9.162 1.00 13.12 O ATOM 0 H GLU A 35 2.297 -2.442 9.109 1.00 75.44 H new ATOM 0 HA GLU A 35 2.087 0.145 10.143 1.00 1.24 H new ATOM 0 HB2 GLU A 35 4.461 0.402 9.321 1.00 3.25 H new ATOM 0 HB3 GLU A 35 4.135 -0.890 10.458 1.00 3.25 H new ATOM 0 HG2 GLU A 35 4.086 -2.522 8.561 1.00 41.53 H new ATOM 0 HG3 GLU A 35 4.464 -1.221 7.449 1.00 41.53 H new ATOM 529 N VAL A 36 2.156 -0.018 6.830 1.00 54.52 N ATOM 530 CA VAL A 36 1.934 0.707 5.583 1.00 55.10 C ATOM 531 C VAL A 36 0.605 1.472 5.605 1.00 52.42 C ATOM 532 O VAL A 36 0.494 2.536 4.991 1.00 12.04 O ATOM 533 CB VAL A 36 2.021 -0.306 4.422 1.00 61.23 C ATOM 534 CG1 VAL A 36 1.543 0.219 3.065 1.00 43.03 C ATOM 535 CG2 VAL A 36 3.465 -0.778 4.234 1.00 23.23 C ATOM 0 H VAL A 36 2.309 -1.017 6.693 1.00 54.52 H new ATOM 0 HA VAL A 36 2.701 1.470 5.447 1.00 55.10 H new ATOM 0 HB VAL A 36 1.351 -1.112 4.721 1.00 61.23 H new ATOM 0 HG11 VAL A 36 1.644 -0.566 2.315 1.00 43.03 H new ATOM 0 HG12 VAL A 36 0.498 0.519 3.139 1.00 43.03 H new ATOM 0 HG13 VAL A 36 2.147 1.078 2.774 1.00 43.03 H new ATOM 0 HG21 VAL A 36 3.510 -1.492 3.412 1.00 23.23 H new ATOM 0 HG22 VAL A 36 4.101 0.078 4.007 1.00 23.23 H new ATOM 0 HG23 VAL A 36 3.814 -1.256 5.149 1.00 23.23 H new ATOM 545 N VAL A 37 -0.413 0.942 6.284 1.00 23.25 N ATOM 546 CA VAL A 37 -1.754 1.510 6.300 1.00 34.42 C ATOM 547 C VAL A 37 -1.790 2.796 7.112 1.00 15.43 C ATOM 548 O VAL A 37 -2.637 3.641 6.842 1.00 20.41 O ATOM 549 CB VAL A 37 -2.734 0.456 6.857 1.00 15.22 C ATOM 550 CG1 VAL A 37 -4.157 0.978 7.131 1.00 62.00 C ATOM 551 CG2 VAL A 37 -2.807 -0.722 5.878 1.00 1.12 C ATOM 0 H VAL A 37 -0.324 0.095 6.845 1.00 23.25 H new ATOM 0 HA VAL A 37 -2.055 1.771 5.285 1.00 34.42 H new ATOM 0 HB VAL A 37 -2.337 0.157 7.827 1.00 15.22 H new ATOM 0 HG11 VAL A 37 -4.773 0.167 7.520 1.00 62.00 H new ATOM 0 HG12 VAL A 37 -4.114 1.784 7.863 1.00 62.00 H new ATOM 0 HG13 VAL A 37 -4.592 1.352 6.204 1.00 62.00 H new ATOM 0 HG21 VAL A 37 -3.497 -1.473 6.263 1.00 1.12 H new ATOM 0 HG22 VAL A 37 -3.159 -0.368 4.909 1.00 1.12 H new ATOM 0 HG23 VAL A 37 -1.817 -1.164 5.766 1.00 1.12 H new ATOM 561 N LYS A 38 -0.923 2.936 8.108 1.00 41.31 N ATOM 562 CA LYS A 38 -1.127 3.815 9.242 1.00 62.01 C ATOM 563 C LYS A 38 -0.696 5.282 9.063 1.00 64.24 C ATOM 564 O LYS A 38 -0.538 5.953 10.089 1.00 42.45 O ATOM 565 CB LYS A 38 -0.373 3.168 10.414 1.00 33.32 C ATOM 566 CG LYS A 38 -1.186 3.333 11.699 1.00 73.23 C ATOM 567 CD LYS A 38 -0.377 3.071 12.970 1.00 13.45 C ATOM 568 CE LYS A 38 0.755 4.103 13.063 1.00 44.13 C ATOM 569 NZ LYS A 38 1.509 4.043 14.325 1.00 21.33 N ATOM 0 H LYS A 38 -0.040 2.427 8.146 1.00 41.31 H new ATOM 0 HA LYS A 38 -2.202 3.903 9.402 1.00 62.01 H new ATOM 0 HB2 LYS A 38 -0.204 2.110 10.212 1.00 33.32 H new ATOM 0 HB3 LYS A 38 0.607 3.631 10.529 1.00 33.32 H new ATOM 0 HG2 LYS A 38 -1.590 4.345 11.737 1.00 73.23 H new ATOM 0 HG3 LYS A 38 -2.036 2.651 11.672 1.00 73.23 H new ATOM 0 HD2 LYS A 38 -1.021 3.138 13.847 1.00 13.45 H new ATOM 0 HD3 LYS A 38 0.034 2.062 12.953 1.00 13.45 H new ATOM 0 HE2 LYS A 38 1.443 3.950 12.232 1.00 44.13 H new ATOM 0 HE3 LYS A 38 0.334 5.102 12.949 1.00 44.13 H new ATOM 0 HZ1 LYS A 38 2.256 4.767 14.318 1.00 21.33 H new ATOM 0 HZ2 LYS A 38 0.865 4.218 15.123 1.00 21.33 H new ATOM 0 HZ3 LYS A 38 1.940 3.102 14.428 1.00 21.33 H new ATOM 583 N ALA A 39 -0.431 5.770 7.843 1.00 1.54 N ATOM 584 CA ALA A 39 0.262 7.047 7.654 1.00 22.24 C ATOM 585 C ALA A 39 -0.494 8.100 6.824 1.00 55.45 C ATOM 586 O ALA A 39 0.057 9.174 6.564 1.00 62.13 O ATOM 587 CB ALA A 39 1.667 6.779 7.094 1.00 61.41 C ATOM 0 H ALA A 39 -0.687 5.299 6.975 1.00 1.54 H new ATOM 0 HA ALA A 39 0.325 7.508 8.640 1.00 22.24 H new ATOM 0 HB1 ALA A 39 2.188 7.726 6.951 1.00 61.41 H new ATOM 0 HB2 ALA A 39 2.226 6.159 7.795 1.00 61.41 H new ATOM 0 HB3 ALA A 39 1.585 6.262 6.138 1.00 61.41 H new ATOM 593 N ASP A 40 -1.744 7.855 6.429 1.00 42.25 N ATOM 594 CA ASP A 40 -2.584 8.817 5.694 1.00 43.42 C ATOM 595 C ASP A 40 -3.356 9.767 6.625 1.00 21.20 C ATOM 596 O ASP A 40 -4.175 10.552 6.144 1.00 0.53 O ATOM 597 CB ASP A 40 -3.520 8.120 4.683 1.00 43.33 C ATOM 598 CG ASP A 40 -4.597 7.227 5.304 1.00 21.41 C ATOM 599 OD1 ASP A 40 -5.490 7.717 6.033 1.00 44.42 O ATOM 600 OD2 ASP A 40 -4.488 5.986 5.138 1.00 43.32 O ATOM 0 H ASP A 40 -2.214 6.969 6.611 1.00 42.25 H new ATOM 0 HA ASP A 40 -1.897 9.438 5.120 1.00 43.42 H new ATOM 0 HB2 ASP A 40 -4.008 8.884 4.077 1.00 43.33 H new ATOM 0 HB3 ASP A 40 -2.914 7.516 4.007 1.00 43.33 H new ATOM 605 N PHE A 41 -3.117 9.730 7.944 1.00 21.34 N ATOM 606 CA PHE A 41 -3.806 10.623 8.880 1.00 21.33 C ATOM 607 C PHE A 41 -3.222 12.033 8.886 1.00 55.53 C ATOM 608 O PHE A 41 -3.987 12.997 8.944 1.00 11.34 O ATOM 609 CB PHE A 41 -3.781 10.081 10.316 1.00 14.24 C ATOM 610 CG PHE A 41 -4.300 8.669 10.475 1.00 55.12 C ATOM 611 CD1 PHE A 41 -5.685 8.408 10.507 1.00 55.41 C ATOM 612 CD2 PHE A 41 -3.384 7.605 10.548 1.00 12.10 C ATOM 613 CE1 PHE A 41 -6.147 7.083 10.620 1.00 41.41 C ATOM 614 CE2 PHE A 41 -3.847 6.285 10.654 1.00 4.10 C ATOM 615 CZ PHE A 41 -5.227 6.021 10.687 1.00 75.03 C ATOM 0 H PHE A 41 -2.453 9.092 8.383 1.00 21.34 H new ATOM 0 HA PHE A 41 -4.835 10.669 8.524 1.00 21.33 H new ATOM 0 HB2 PHE A 41 -2.756 10.119 10.685 1.00 14.24 H new ATOM 0 HB3 PHE A 41 -4.372 10.743 10.949 1.00 14.24 H new ATOM 0 HD1 PHE A 41 -6.391 9.223 10.445 1.00 55.41 H new ATOM 0 HD2 PHE A 41 -2.323 7.804 10.522 1.00 12.10 H new ATOM 0 HE1 PHE A 41 -7.208 6.882 10.655 1.00 41.41 H new ATOM 0 HE2 PHE A 41 -3.141 5.470 10.710 1.00 4.10 H new ATOM 0 HZ PHE A 41 -5.581 5.004 10.764 1.00 75.03 H new ATOM 625 N GLU A 42 -1.895 12.161 8.913 1.00 72.13 N ATOM 626 CA GLU A 42 -1.223 13.445 9.064 1.00 54.33 C ATOM 627 C GLU A 42 -1.085 14.077 7.683 1.00 62.34 C ATOM 628 O GLU A 42 -1.735 15.073 7.371 1.00 53.43 O ATOM 629 CB GLU A 42 0.160 13.260 9.717 1.00 34.24 C ATOM 630 CG GLU A 42 0.116 12.656 11.126 1.00 31.31 C ATOM 631 CD GLU A 42 0.304 13.674 12.244 1.00 33.32 C ATOM 632 OE1 GLU A 42 -0.373 14.723 12.241 1.00 55.44 O ATOM 633 OE2 GLU A 42 1.062 13.341 13.188 1.00 20.12 O ATOM 0 H GLU A 42 -1.256 11.371 8.830 1.00 72.13 H new ATOM 0 HA GLU A 42 -1.808 14.096 9.714 1.00 54.33 H new ATOM 0 HB2 GLU A 42 0.768 12.619 9.078 1.00 34.24 H new ATOM 0 HB3 GLU A 42 0.659 14.228 9.765 1.00 34.24 H new ATOM 0 HG2 GLU A 42 -0.841 12.153 11.264 1.00 31.31 H new ATOM 0 HG3 GLU A 42 0.892 11.895 11.208 1.00 31.31 H new ATOM 640 N GLU A 43 -0.214 13.501 6.862 1.00 24.31 N ATOM 641 CA GLU A 43 0.213 14.054 5.588 1.00 32.53 C ATOM 642 C GLU A 43 -0.907 13.800 4.583 1.00 15.34 C ATOM 643 O GLU A 43 -1.417 12.676 4.498 1.00 62.14 O ATOM 644 CB GLU A 43 1.545 13.411 5.166 1.00 53.22 C ATOM 645 CG GLU A 43 2.762 14.341 5.324 1.00 74.43 C ATOM 646 CD GLU A 43 3.322 14.480 6.749 1.00 75.35 C ATOM 647 OE1 GLU A 43 2.556 14.482 7.742 1.00 15.54 O ATOM 648 OE2 GLU A 43 4.556 14.662 6.860 1.00 42.13 O ATOM 0 H GLU A 43 0.227 12.606 7.075 1.00 24.31 H new ATOM 0 HA GLU A 43 0.393 15.127 5.650 1.00 32.53 H new ATOM 0 HB2 GLU A 43 1.708 12.511 5.760 1.00 53.22 H new ATOM 0 HB3 GLU A 43 1.472 13.097 4.125 1.00 53.22 H new ATOM 0 HG2 GLU A 43 3.559 13.977 4.675 1.00 74.43 H new ATOM 0 HG3 GLU A 43 2.486 15.332 4.965 1.00 74.43 H new ATOM 655 N ALA A 44 -1.314 14.851 3.872 1.00 52.02 N ATOM 656 CA ALA A 44 -2.501 14.922 3.041 1.00 3.41 C ATOM 657 C ALA A 44 -2.426 13.885 1.922 1.00 52.43 C ATOM 658 O ALA A 44 -1.635 14.027 0.984 1.00 44.11 O ATOM 659 CB ALA A 44 -2.660 16.345 2.496 1.00 54.35 C ATOM 0 H ALA A 44 -0.788 15.725 3.865 1.00 52.02 H new ATOM 0 HA ALA A 44 -3.384 14.690 3.637 1.00 3.41 H new ATOM 0 HB1 ALA A 44 -3.552 16.398 1.872 1.00 54.35 H new ATOM 0 HB2 ALA A 44 -2.756 17.044 3.327 1.00 54.35 H new ATOM 0 HB3 ALA A 44 -1.785 16.607 1.901 1.00 54.35 H new ATOM 665 N GLY A 45 -3.278 12.865 1.982 1.00 12.43 N ATOM 666 CA GLY A 45 -3.365 11.842 0.961 1.00 63.41 C ATOM 667 C GLY A 45 -2.213 10.859 1.113 1.00 35.43 C ATOM 668 O GLY A 45 -2.372 9.829 1.768 1.00 54.01 O ATOM 0 H GLY A 45 -3.932 12.730 2.753 1.00 12.43 H new ATOM 0 HA2 GLY A 45 -4.316 11.316 1.041 1.00 63.41 H new ATOM 0 HA3 GLY A 45 -3.336 12.300 -0.028 1.00 63.41 H new ATOM 672 N HIS A 46 -1.074 11.138 0.476 1.00 61.51 N ATOM 673 CA HIS A 46 -0.014 10.150 0.270 1.00 21.44 C ATOM 674 C HIS A 46 1.390 10.654 0.615 1.00 14.10 C ATOM 675 O HIS A 46 2.366 9.941 0.372 1.00 53.31 O ATOM 676 CB HIS A 46 -0.094 9.589 -1.166 1.00 53.45 C ATOM 677 CG HIS A 46 -0.020 10.583 -2.306 1.00 63.53 C ATOM 678 ND1 HIS A 46 0.733 11.734 -2.369 1.00 15.00 N ATOM 679 CD2 HIS A 46 -0.659 10.452 -3.511 1.00 63.35 C ATOM 680 CE1 HIS A 46 0.534 12.290 -3.575 1.00 35.20 C ATOM 681 NE2 HIS A 46 -0.291 11.535 -4.322 1.00 33.14 N ATOM 0 H HIS A 46 -0.861 12.057 0.088 1.00 61.51 H new ATOM 0 HA HIS A 46 -0.192 9.343 0.981 1.00 21.44 H new ATOM 0 HB2 HIS A 46 0.715 8.870 -1.293 1.00 53.45 H new ATOM 0 HB3 HIS A 46 -1.029 9.037 -1.261 1.00 53.45 H new ATOM 0 HD2 HIS A 46 -1.330 9.653 -3.788 1.00 63.35 H new ATOM 0 HE1 HIS A 46 0.977 13.219 -3.901 1.00 35.20 H new ATOM 0 HE2 HIS A 46 -0.588 11.714 -5.281 1.00 33.14 H new ATOM 689 N GLU A 47 1.531 11.883 1.116 1.00 2.22 N ATOM 690 CA GLU A 47 2.839 12.529 1.168 1.00 15.24 C ATOM 691 C GLU A 47 3.847 11.844 2.101 1.00 15.31 C ATOM 692 O GLU A 47 5.045 11.876 1.788 1.00 40.31 O ATOM 693 CB GLU A 47 2.699 14.027 1.479 1.00 41.15 C ATOM 694 CG GLU A 47 2.288 14.799 0.217 1.00 15.12 C ATOM 695 CD GLU A 47 2.640 16.282 0.296 1.00 35.40 C ATOM 696 OE1 GLU A 47 3.840 16.616 0.197 1.00 54.24 O ATOM 697 OE2 GLU A 47 1.721 17.130 0.351 1.00 3.10 O ATOM 0 H GLU A 47 0.764 12.443 1.487 1.00 2.22 H new ATOM 0 HA GLU A 47 3.264 12.418 0.171 1.00 15.24 H new ATOM 0 HB2 GLU A 47 1.955 14.175 2.262 1.00 41.15 H new ATOM 0 HB3 GLU A 47 3.643 14.416 1.860 1.00 41.15 H new ATOM 0 HG2 GLU A 47 2.780 14.358 -0.650 1.00 15.12 H new ATOM 0 HG3 GLU A 47 1.214 14.692 0.063 1.00 15.12 H new ATOM 704 N ASP A 48 3.396 11.199 3.184 1.00 55.13 N ATOM 705 CA ASP A 48 4.265 10.403 4.061 1.00 61.22 C ATOM 706 C ASP A 48 4.186 8.912 3.709 1.00 24.22 C ATOM 707 O ASP A 48 5.152 8.167 3.877 1.00 32.54 O ATOM 708 CB ASP A 48 3.904 10.643 5.531 1.00 44.05 C ATOM 709 CG ASP A 48 4.930 10.016 6.473 1.00 11.51 C ATOM 710 OD1 ASP A 48 6.145 10.213 6.264 1.00 3.10 O ATOM 711 OD2 ASP A 48 4.532 9.366 7.464 1.00 72.05 O ATOM 0 H ASP A 48 2.419 11.214 3.477 1.00 55.13 H new ATOM 0 HA ASP A 48 5.295 10.724 3.905 1.00 61.22 H new ATOM 0 HB2 ASP A 48 3.843 11.715 5.721 1.00 44.05 H new ATOM 0 HB3 ASP A 48 2.918 10.226 5.737 1.00 44.05 H new ATOM 716 N VAL A 49 3.067 8.475 3.125 1.00 13.34 N ATOM 717 CA VAL A 49 2.870 7.111 2.646 1.00 15.34 C ATOM 718 C VAL A 49 3.959 6.730 1.642 1.00 61.32 C ATOM 719 O VAL A 49 4.569 5.670 1.801 1.00 32.21 O ATOM 720 CB VAL A 49 1.451 6.948 2.065 1.00 13.00 C ATOM 721 CG1 VAL A 49 1.283 5.622 1.312 1.00 60.15 C ATOM 722 CG2 VAL A 49 0.393 7.029 3.177 1.00 41.04 C ATOM 0 H VAL A 49 2.257 9.076 2.970 1.00 13.34 H new ATOM 0 HA VAL A 49 2.957 6.421 3.485 1.00 15.34 H new ATOM 0 HB VAL A 49 1.309 7.766 1.359 1.00 13.00 H new ATOM 0 HG11 VAL A 49 0.268 5.552 0.921 1.00 60.15 H new ATOM 0 HG12 VAL A 49 1.994 5.580 0.487 1.00 60.15 H new ATOM 0 HG13 VAL A 49 1.468 4.791 1.993 1.00 60.15 H new ATOM 0 HG21 VAL A 49 -0.600 6.911 2.744 1.00 41.04 H new ATOM 0 HG22 VAL A 49 0.568 6.236 3.904 1.00 41.04 H new ATOM 0 HG23 VAL A 49 0.460 7.997 3.673 1.00 41.04 H new ATOM 732 N MET A 50 4.208 7.547 0.609 1.00 15.02 N ATOM 733 CA MET A 50 5.213 7.193 -0.388 1.00 43.02 C ATOM 734 C MET A 50 6.588 7.130 0.275 1.00 51.42 C ATOM 735 O MET A 50 7.302 6.145 0.123 1.00 0.04 O ATOM 736 CB MET A 50 5.207 8.148 -1.596 1.00 63.53 C ATOM 737 CG MET A 50 3.842 8.307 -2.276 1.00 32.34 C ATOM 738 SD MET A 50 2.787 6.838 -2.440 1.00 23.12 S ATOM 739 CE MET A 50 3.887 5.735 -3.357 1.00 73.52 C ATOM 0 H MET A 50 3.736 8.437 0.448 1.00 15.02 H new ATOM 0 HA MET A 50 4.965 6.209 -0.786 1.00 43.02 H new ATOM 0 HB2 MET A 50 5.552 9.129 -1.269 1.00 63.53 H new ATOM 0 HB3 MET A 50 5.925 7.787 -2.332 1.00 63.53 H new ATOM 0 HG2 MET A 50 3.280 9.060 -1.723 1.00 32.34 H new ATOM 0 HG3 MET A 50 4.013 8.707 -3.275 1.00 32.34 H new ATOM 0 HE1 MET A 50 3.294 5.066 -3.981 1.00 73.52 H new ATOM 0 HE2 MET A 50 4.551 6.326 -3.988 1.00 73.52 H new ATOM 0 HE3 MET A 50 4.480 5.147 -2.656 1.00 73.52 H new ATOM 749 N ARG A 51 6.933 8.144 1.070 1.00 35.12 N ATOM 750 CA ARG A 51 8.165 8.201 1.850 1.00 0.41 C ATOM 751 C ARG A 51 8.403 6.943 2.679 1.00 71.54 C ATOM 752 O ARG A 51 9.563 6.580 2.875 1.00 0.04 O ATOM 753 CB ARG A 51 8.128 9.421 2.780 1.00 2.41 C ATOM 754 CG ARG A 51 8.921 10.606 2.236 1.00 75.51 C ATOM 755 CD ARG A 51 10.423 10.316 2.181 1.00 74.24 C ATOM 756 NE ARG A 51 11.182 11.558 1.988 1.00 13.04 N ATOM 757 CZ ARG A 51 12.181 12.005 2.757 1.00 61.51 C ATOM 758 NH1 ARG A 51 12.556 11.357 3.856 1.00 43.02 N ATOM 759 NH2 ARG A 51 12.803 13.126 2.414 1.00 41.02 N ATOM 0 H ARG A 51 6.346 8.969 1.191 1.00 35.12 H new ATOM 0 HA ARG A 51 8.988 8.280 1.140 1.00 0.41 H new ATOM 0 HB2 ARG A 51 7.092 9.723 2.934 1.00 2.41 H new ATOM 0 HB3 ARG A 51 8.526 9.141 3.755 1.00 2.41 H new ATOM 0 HG2 ARG A 51 8.563 10.853 1.237 1.00 75.51 H new ATOM 0 HG3 ARG A 51 8.743 11.479 2.863 1.00 75.51 H new ATOM 0 HD2 ARG A 51 10.739 9.830 3.104 1.00 74.24 H new ATOM 0 HD3 ARG A 51 10.636 9.623 1.367 1.00 74.24 H new ATOM 0 HE ARG A 51 10.922 12.137 1.189 1.00 13.04 H new ATOM 0 HH11 ARG A 51 12.079 10.498 4.130 1.00 43.02 H new ATOM 0 HH12 ARG A 51 13.321 11.719 4.425 1.00 43.02 H new ATOM 0 HH21 ARG A 51 12.517 13.632 1.576 1.00 41.02 H new ATOM 0 HH22 ARG A 51 13.567 13.482 2.989 1.00 41.02 H new ATOM 773 N LYS A 52 7.348 6.292 3.166 1.00 33.14 N ATOM 774 CA LYS A 52 7.459 5.108 3.999 1.00 13.32 C ATOM 775 C LYS A 52 8.011 3.966 3.165 1.00 41.00 C ATOM 776 O LYS A 52 9.039 3.393 3.517 1.00 62.31 O ATOM 777 CB LYS A 52 6.089 4.817 4.636 1.00 73.43 C ATOM 778 CG LYS A 52 6.137 3.815 5.793 1.00 21.05 C ATOM 779 CD LYS A 52 6.073 2.353 5.331 1.00 71.22 C ATOM 780 CE LYS A 52 6.080 1.425 6.542 1.00 34.22 C ATOM 781 NZ LYS A 52 7.400 1.400 7.198 1.00 55.41 N ATOM 0 H LYS A 52 6.385 6.579 2.989 1.00 33.14 H new ATOM 0 HA LYS A 52 8.159 5.254 4.822 1.00 13.32 H new ATOM 0 HB2 LYS A 52 5.662 5.753 4.997 1.00 73.43 H new ATOM 0 HB3 LYS A 52 5.417 4.436 3.867 1.00 73.43 H new ATOM 0 HG2 LYS A 52 7.054 3.970 6.361 1.00 21.05 H new ATOM 0 HG3 LYS A 52 5.306 4.012 6.470 1.00 21.05 H new ATOM 0 HD2 LYS A 52 5.172 2.188 4.741 1.00 71.22 H new ATOM 0 HD3 LYS A 52 6.922 2.129 4.685 1.00 71.22 H new ATOM 0 HE2 LYS A 52 5.324 1.752 7.256 1.00 34.22 H new ATOM 0 HE3 LYS A 52 5.809 0.416 6.230 1.00 34.22 H new ATOM 0 HZ1 LYS A 52 7.346 0.827 8.064 1.00 55.41 H new ATOM 0 HZ2 LYS A 52 8.101 0.985 6.551 1.00 55.41 H new ATOM 0 HZ3 LYS A 52 7.685 2.370 7.442 1.00 55.41 H new ATOM 795 N VAL A 53 7.343 3.622 2.065 1.00 42.20 N ATOM 796 CA VAL A 53 7.748 2.502 1.230 1.00 60.43 C ATOM 797 C VAL A 53 9.080 2.803 0.541 1.00 0.44 C ATOM 798 O VAL A 53 9.911 1.907 0.421 1.00 15.44 O ATOM 799 CB VAL A 53 6.630 2.143 0.230 1.00 44.30 C ATOM 800 CG1 VAL A 53 5.421 1.553 0.974 1.00 33.11 C ATOM 801 CG2 VAL A 53 6.162 3.331 -0.628 1.00 54.12 C ATOM 0 H VAL A 53 6.512 4.111 1.733 1.00 42.20 H new ATOM 0 HA VAL A 53 7.906 1.625 1.857 1.00 60.43 H new ATOM 0 HB VAL A 53 7.062 1.408 -0.449 1.00 44.30 H new ATOM 0 HG11 VAL A 53 4.639 1.304 0.257 1.00 33.11 H new ATOM 0 HG12 VAL A 53 5.726 0.652 1.506 1.00 33.11 H new ATOM 0 HG13 VAL A 53 5.040 2.284 1.687 1.00 33.11 H new ATOM 0 HG21 VAL A 53 5.375 3.002 -1.307 1.00 54.12 H new ATOM 0 HG22 VAL A 53 5.777 4.118 0.020 1.00 54.12 H new ATOM 0 HG23 VAL A 53 7.002 3.716 -1.206 1.00 54.12 H new ATOM 811 N LEU A 54 9.299 4.053 0.114 1.00 53.30 N ATOM 812 CA LEU A 54 10.515 4.453 -0.579 1.00 31.11 C ATOM 813 C LEU A 54 11.725 4.426 0.362 1.00 75.24 C ATOM 814 O LEU A 54 12.836 4.155 -0.093 1.00 0.24 O ATOM 815 CB LEU A 54 10.356 5.850 -1.208 1.00 71.41 C ATOM 816 CG LEU A 54 9.830 5.909 -2.656 1.00 41.14 C ATOM 817 CD1 LEU A 54 10.687 5.115 -3.633 1.00 4.33 C ATOM 818 CD2 LEU A 54 8.375 5.502 -2.882 1.00 23.51 C ATOM 0 H LEU A 54 8.631 4.813 0.243 1.00 53.30 H new ATOM 0 HA LEU A 54 10.690 3.733 -1.378 1.00 31.11 H new ATOM 0 HB2 LEU A 54 9.681 6.430 -0.578 1.00 71.41 H new ATOM 0 HB3 LEU A 54 11.326 6.347 -1.179 1.00 71.41 H new ATOM 0 HG LEU A 54 9.893 6.980 -2.850 1.00 41.14 H new ATOM 0 HD11 LEU A 54 10.266 5.195 -4.635 1.00 4.33 H new ATOM 0 HD12 LEU A 54 11.702 5.513 -3.633 1.00 4.33 H new ATOM 0 HD13 LEU A 54 10.708 4.068 -3.331 1.00 4.33 H new ATOM 0 HD21 LEU A 54 8.133 5.589 -3.941 1.00 23.51 H new ATOM 0 HD22 LEU A 54 8.232 4.471 -2.560 1.00 23.51 H new ATOM 0 HD23 LEU A 54 7.721 6.156 -2.306 1.00 23.51 H new ATOM 830 N GLY A 55 11.529 4.698 1.655 1.00 33.34 N ATOM 831 CA GLY A 55 12.561 4.546 2.668 1.00 63.30 C ATOM 832 C GLY A 55 12.826 3.064 2.902 1.00 71.21 C ATOM 833 O GLY A 55 13.962 2.604 2.781 1.00 1.44 O ATOM 0 H GLY A 55 10.639 5.033 2.025 1.00 33.34 H new ATOM 0 HA2 GLY A 55 13.476 5.044 2.348 1.00 63.30 H new ATOM 0 HA3 GLY A 55 12.247 5.022 3.597 1.00 63.30 H new ATOM 837 N ASP A 56 11.774 2.298 3.202 1.00 44.34 N ATOM 838 CA ASP A 56 11.850 0.878 3.551 1.00 52.11 C ATOM 839 C ASP A 56 12.571 0.072 2.478 1.00 2.15 C ATOM 840 O ASP A 56 13.449 -0.727 2.810 1.00 0.13 O ATOM 841 CB ASP A 56 10.450 0.282 3.724 1.00 31.33 C ATOM 842 CG ASP A 56 9.799 0.522 5.077 1.00 21.31 C ATOM 843 OD1 ASP A 56 10.318 1.261 5.950 1.00 43.22 O ATOM 844 OD2 ASP A 56 8.693 -0.025 5.262 1.00 3.31 O ATOM 0 H ASP A 56 10.820 2.659 3.209 1.00 44.34 H new ATOM 0 HA ASP A 56 12.406 0.820 4.487 1.00 52.11 H new ATOM 0 HB2 ASP A 56 9.801 0.692 2.950 1.00 31.33 H new ATOM 0 HB3 ASP A 56 10.508 -0.793 3.554 1.00 31.33 H new ATOM 849 N LEU A 57 12.219 0.294 1.206 1.00 33.54 N ATOM 850 CA LEU A 57 12.739 -0.456 0.067 1.00 4.32 C ATOM 851 C LEU A 57 14.251 -0.366 -0.068 1.00 12.01 C ATOM 852 O LEU A 57 14.833 -1.256 -0.682 1.00 1.05 O ATOM 853 CB LEU A 57 12.104 0.034 -1.246 1.00 14.11 C ATOM 854 CG LEU A 57 10.824 -0.711 -1.649 1.00 52.10 C ATOM 855 CD1 LEU A 57 10.196 0.020 -2.838 1.00 35.55 C ATOM 856 CD2 LEU A 57 11.091 -2.155 -2.096 1.00 74.32 C ATOM 0 H LEU A 57 11.550 1.016 0.939 1.00 33.54 H new ATOM 0 HA LEU A 57 12.476 -1.497 0.256 1.00 4.32 H new ATOM 0 HB2 LEU A 57 11.877 1.096 -1.151 1.00 14.11 H new ATOM 0 HB3 LEU A 57 12.835 -0.065 -2.048 1.00 14.11 H new ATOM 0 HG LEU A 57 10.175 -0.735 -0.774 1.00 52.10 H new ATOM 0 HD11 LEU A 57 9.284 -0.494 -3.141 1.00 35.55 H new ATOM 0 HD12 LEU A 57 9.957 1.044 -2.551 1.00 35.55 H new ATOM 0 HD13 LEU A 57 10.899 0.031 -3.671 1.00 35.55 H new ATOM 0 HD21 LEU A 57 10.149 -2.631 -2.369 1.00 74.32 H new ATOM 0 HD22 LEU A 57 11.759 -2.152 -2.957 1.00 74.32 H new ATOM 0 HD23 LEU A 57 11.555 -2.709 -1.280 1.00 74.32 H new ATOM 868 N ASP A 58 14.894 0.673 0.466 1.00 55.13 N ATOM 869 CA ASP A 58 16.345 0.854 0.399 1.00 4.43 C ATOM 870 C ASP A 58 16.843 0.933 -1.053 1.00 4.14 C ATOM 871 O ASP A 58 18.014 0.665 -1.331 1.00 60.41 O ATOM 872 CB ASP A 58 17.048 -0.258 1.198 1.00 22.25 C ATOM 873 CG ASP A 58 18.513 0.028 1.531 1.00 51.22 C ATOM 874 OD1 ASP A 58 18.926 1.207 1.609 1.00 41.44 O ATOM 875 OD2 ASP A 58 19.248 -0.955 1.794 1.00 73.50 O ATOM 0 H ASP A 58 14.415 1.423 0.964 1.00 55.13 H new ATOM 0 HA ASP A 58 16.598 1.811 0.856 1.00 4.43 H new ATOM 0 HB2 ASP A 58 16.502 -0.420 2.128 1.00 22.25 H new ATOM 0 HB3 ASP A 58 16.993 -1.187 0.630 1.00 22.25 H new ATOM 880 N GLY A 59 15.978 1.320 -1.995 1.00 72.13 N ATOM 881 CA GLY A 59 16.322 1.398 -3.405 1.00 55.03 C ATOM 882 C GLY A 59 16.173 0.055 -4.115 1.00 74.11 C ATOM 883 O GLY A 59 16.706 -0.083 -5.215 1.00 74.22 O ATOM 0 H GLY A 59 15.015 1.588 -1.792 1.00 72.13 H new ATOM 0 HA2 GLY A 59 15.684 2.136 -3.892 1.00 55.03 H new ATOM 0 HA3 GLY A 59 17.349 1.748 -3.507 1.00 55.03 H new ATOM 887 N LYS A 60 15.476 -0.938 -3.538 1.00 32.13 N ATOM 888 CA LYS A 60 15.234 -2.233 -4.181 1.00 75.50 C ATOM 889 C LYS A 60 14.479 -2.134 -5.509 1.00 33.24 C ATOM 890 O LYS A 60 14.488 -3.091 -6.289 1.00 13.15 O ATOM 891 CB LYS A 60 14.440 -3.143 -3.247 1.00 52.21 C ATOM 892 CG LYS A 60 15.275 -4.169 -2.476 1.00 23.23 C ATOM 893 CD LYS A 60 14.390 -5.356 -2.076 1.00 31.55 C ATOM 894 CE LYS A 60 15.163 -6.477 -1.376 1.00 55.22 C ATOM 895 NZ LYS A 60 15.788 -6.035 -0.117 1.00 40.13 N ATOM 0 H LYS A 60 15.064 -0.861 -2.608 1.00 32.13 H new ATOM 0 HA LYS A 60 16.221 -2.643 -4.394 1.00 75.50 H new ATOM 0 HB2 LYS A 60 13.903 -2.522 -2.530 1.00 52.21 H new ATOM 0 HB3 LYS A 60 13.690 -3.674 -3.833 1.00 52.21 H new ATOM 0 HG2 LYS A 60 16.106 -4.513 -3.092 1.00 23.23 H new ATOM 0 HG3 LYS A 60 15.706 -3.708 -1.587 1.00 23.23 H new ATOM 0 HD2 LYS A 60 13.597 -5.003 -1.416 1.00 31.55 H new ATOM 0 HD3 LYS A 60 13.908 -5.758 -2.967 1.00 31.55 H new ATOM 0 HE2 LYS A 60 14.486 -7.306 -1.170 1.00 55.22 H new ATOM 0 HE3 LYS A 60 15.934 -6.855 -2.047 1.00 55.22 H new ATOM 0 HZ1 LYS A 60 16.284 -6.836 0.324 1.00 40.13 H new ATOM 0 HZ2 LYS A 60 16.468 -5.274 -0.316 1.00 40.13 H new ATOM 0 HZ3 LYS A 60 15.054 -5.683 0.530 1.00 40.13 H new ATOM 909 N ARG A 61 13.739 -1.049 -5.728 1.00 20.11 N ATOM 910 CA ARG A 61 12.967 -0.805 -6.936 1.00 34.42 C ATOM 911 C ARG A 61 13.121 0.665 -7.301 1.00 20.22 C ATOM 912 O ARG A 61 13.428 1.466 -6.415 1.00 15.11 O ATOM 913 CB ARG A 61 11.486 -1.170 -6.707 1.00 21.15 C ATOM 914 CG ARG A 61 11.188 -2.676 -6.690 1.00 20.35 C ATOM 915 CD ARG A 61 11.472 -3.294 -8.061 1.00 0.34 C ATOM 916 NE ARG A 61 10.873 -4.627 -8.226 1.00 11.42 N ATOM 917 CZ ARG A 61 10.758 -5.248 -9.407 1.00 60.22 C ATOM 918 NH1 ARG A 61 11.055 -4.619 -10.539 1.00 44.23 N ATOM 919 NH2 ARG A 61 10.345 -6.508 -9.456 1.00 75.12 N ATOM 0 H ARG A 61 13.660 -0.295 -5.046 1.00 20.11 H new ATOM 0 HA ARG A 61 13.330 -1.426 -7.755 1.00 34.42 H new ATOM 0 HB2 ARG A 61 11.163 -0.740 -5.759 1.00 21.15 H new ATOM 0 HB3 ARG A 61 10.887 -0.704 -7.489 1.00 21.15 H new ATOM 0 HG2 ARG A 61 11.798 -3.165 -5.931 1.00 20.35 H new ATOM 0 HG3 ARG A 61 10.146 -2.843 -6.418 1.00 20.35 H new ATOM 0 HD2 ARG A 61 11.090 -2.632 -8.838 1.00 0.34 H new ATOM 0 HD3 ARG A 61 12.550 -3.366 -8.205 1.00 0.34 H new ATOM 0 HE ARG A 61 10.526 -5.105 -7.395 1.00 11.42 H new ATOM 0 HH11 ARG A 61 11.375 -3.651 -10.516 1.00 44.23 H new ATOM 0 HH12 ARG A 61 10.963 -5.104 -11.431 1.00 44.23 H new ATOM 0 HH21 ARG A 61 10.115 -7.003 -8.594 1.00 75.12 H new ATOM 0 HH22 ARG A 61 10.257 -6.981 -10.355 1.00 75.12 H new ATOM 933 N PRO A 62 12.823 1.059 -8.545 1.00 74.42 N ATOM 934 CA PRO A 62 12.709 2.461 -8.899 1.00 74.10 C ATOM 935 C PRO A 62 11.450 3.066 -8.284 1.00 31.24 C ATOM 936 O PRO A 62 10.461 2.376 -8.018 1.00 51.24 O ATOM 937 CB PRO A 62 12.645 2.502 -10.422 1.00 22.13 C ATOM 938 CG PRO A 62 12.228 1.098 -10.846 1.00 60.31 C ATOM 939 CD PRO A 62 12.618 0.192 -9.691 1.00 43.42 C ATOM 0 HA PRO A 62 13.551 3.042 -8.523 1.00 74.10 H new ATOM 0 HB2 PRO A 62 11.926 3.246 -10.765 1.00 22.13 H new ATOM 0 HB3 PRO A 62 13.611 2.771 -10.849 1.00 22.13 H new ATOM 0 HG2 PRO A 62 11.156 1.048 -11.039 1.00 60.31 H new ATOM 0 HG3 PRO A 62 12.732 0.800 -11.766 1.00 60.31 H new ATOM 0 HD2 PRO A 62 11.836 -0.540 -9.490 1.00 43.42 H new ATOM 0 HD3 PRO A 62 13.525 -0.366 -9.924 1.00 43.42 H new ATOM 947 N GLU A 63 11.452 4.380 -8.091 1.00 61.20 N ATOM 948 CA GLU A 63 10.299 5.126 -7.626 1.00 75.23 C ATOM 949 C GLU A 63 9.161 5.048 -8.652 1.00 51.42 C ATOM 950 O GLU A 63 8.013 4.847 -8.261 1.00 21.24 O ATOM 951 CB GLU A 63 10.718 6.570 -7.310 1.00 12.11 C ATOM 952 CG GLU A 63 9.527 7.348 -6.736 1.00 44.44 C ATOM 953 CD GLU A 63 9.849 8.763 -6.256 1.00 12.24 C ATOM 954 OE1 GLU A 63 10.516 9.541 -6.975 1.00 14.40 O ATOM 955 OE2 GLU A 63 9.292 9.152 -5.202 1.00 12.24 O ATOM 0 H GLU A 63 12.272 4.963 -8.258 1.00 61.20 H new ATOM 0 HA GLU A 63 9.916 4.686 -6.705 1.00 75.23 H new ATOM 0 HB2 GLU A 63 11.541 6.570 -6.596 1.00 12.11 H new ATOM 0 HB3 GLU A 63 11.080 7.059 -8.215 1.00 12.11 H new ATOM 0 HG2 GLU A 63 8.750 7.407 -7.498 1.00 44.44 H new ATOM 0 HG3 GLU A 63 9.112 6.783 -5.901 1.00 44.44 H new ATOM 962 N ALA A 64 9.461 5.167 -9.953 1.00 43.44 N ATOM 963 CA ALA A 64 8.462 5.157 -11.023 1.00 12.14 C ATOM 964 C ALA A 64 7.584 3.906 -10.977 1.00 21.52 C ATOM 965 O ALA A 64 6.360 4.007 -11.104 1.00 13.13 O ATOM 966 CB ALA A 64 9.137 5.281 -12.389 1.00 60.31 C ATOM 0 H ALA A 64 10.417 5.274 -10.293 1.00 43.44 H new ATOM 0 HA ALA A 64 7.813 6.019 -10.867 1.00 12.14 H new ATOM 0 HB1 ALA A 64 8.379 5.272 -13.172 1.00 60.31 H new ATOM 0 HB2 ALA A 64 9.695 6.216 -12.436 1.00 60.31 H new ATOM 0 HB3 ALA A 64 9.819 4.444 -12.535 1.00 60.31 H new ATOM 972 N GLU A 65 8.199 2.737 -10.773 1.00 55.10 N ATOM 973 CA GLU A 65 7.494 1.483 -10.600 1.00 14.05 C ATOM 974 C GLU A 65 6.621 1.536 -9.344 1.00 71.44 C ATOM 975 O GLU A 65 5.419 1.295 -9.410 1.00 35.54 O ATOM 976 CB GLU A 65 8.517 0.342 -10.555 1.00 20.13 C ATOM 977 CG GLU A 65 7.806 -1.008 -10.497 1.00 2.33 C ATOM 978 CD GLU A 65 8.731 -2.218 -10.621 1.00 35.31 C ATOM 979 OE1 GLU A 65 9.953 -2.075 -10.843 1.00 72.42 O ATOM 980 OE2 GLU A 65 8.194 -3.344 -10.479 1.00 42.14 O ATOM 0 H GLU A 65 9.214 2.644 -10.724 1.00 55.10 H new ATOM 0 HA GLU A 65 6.823 1.304 -11.440 1.00 14.05 H new ATOM 0 HB2 GLU A 65 9.158 0.385 -11.435 1.00 20.13 H new ATOM 0 HB3 GLU A 65 9.163 0.458 -9.684 1.00 20.13 H new ATOM 0 HG2 GLU A 65 7.262 -1.078 -9.555 1.00 2.33 H new ATOM 0 HG3 GLU A 65 7.066 -1.049 -11.296 1.00 2.33 H new ATOM 987 N VAL A 66 7.222 1.836 -8.195 1.00 33.53 N ATOM 988 CA VAL A 66 6.593 1.712 -6.883 1.00 42.31 C ATOM 989 C VAL A 66 5.394 2.658 -6.769 1.00 72.42 C ATOM 990 O VAL A 66 4.313 2.238 -6.344 1.00 12.34 O ATOM 991 CB VAL A 66 7.676 1.936 -5.805 1.00 13.45 C ATOM 992 CG1 VAL A 66 7.125 1.981 -4.373 1.00 31.34 C ATOM 993 CG2 VAL A 66 8.697 0.792 -5.894 1.00 15.23 C ATOM 0 H VAL A 66 8.181 2.180 -8.150 1.00 33.53 H new ATOM 0 HA VAL A 66 6.182 0.714 -6.735 1.00 42.31 H new ATOM 0 HB VAL A 66 8.123 2.910 -6.005 1.00 13.45 H new ATOM 0 HG11 VAL A 66 7.945 2.141 -3.673 1.00 31.34 H new ATOM 0 HG12 VAL A 66 6.408 2.797 -4.285 1.00 31.34 H new ATOM 0 HG13 VAL A 66 6.631 1.037 -4.143 1.00 31.34 H new ATOM 0 HG21 VAL A 66 9.470 0.935 -5.139 1.00 15.23 H new ATOM 0 HG22 VAL A 66 8.193 -0.159 -5.723 1.00 15.23 H new ATOM 0 HG23 VAL A 66 9.153 0.788 -6.884 1.00 15.23 H new ATOM 1003 N ARG A 67 5.549 3.923 -7.167 1.00 42.31 N ATOM 1004 CA ARG A 67 4.473 4.905 -7.084 1.00 43.11 C ATOM 1005 C ARG A 67 3.321 4.513 -8.016 1.00 32.40 C ATOM 1006 O ARG A 67 2.158 4.659 -7.645 1.00 15.30 O ATOM 1007 CB ARG A 67 5.053 6.320 -7.309 1.00 53.35 C ATOM 1008 CG ARG A 67 5.222 6.719 -8.784 1.00 42.31 C ATOM 1009 CD ARG A 67 6.371 7.687 -9.103 1.00 3.43 C ATOM 1010 NE ARG A 67 6.477 8.867 -8.229 1.00 43.04 N ATOM 1011 CZ ARG A 67 7.429 9.801 -8.375 1.00 4.11 C ATOM 1012 NH1 ARG A 67 8.286 9.773 -9.397 1.00 75.22 N ATOM 1013 NH2 ARG A 67 7.532 10.761 -7.470 1.00 53.01 N ATOM 0 H ARG A 67 6.419 4.290 -7.553 1.00 42.31 H new ATOM 0 HA ARG A 67 4.029 4.921 -6.088 1.00 43.11 H new ATOM 0 HB2 ARG A 67 4.402 7.046 -6.823 1.00 53.35 H new ATOM 0 HB3 ARG A 67 6.023 6.382 -6.817 1.00 53.35 H new ATOM 0 HG2 ARG A 67 5.368 5.811 -9.369 1.00 42.31 H new ATOM 0 HG3 ARG A 67 4.290 7.171 -9.124 1.00 42.31 H new ATOM 0 HD2 ARG A 67 7.310 7.136 -9.052 1.00 3.43 H new ATOM 0 HD3 ARG A 67 6.257 8.029 -10.132 1.00 3.43 H new ATOM 0 HE ARG A 67 5.796 8.980 -7.478 1.00 43.04 H new ATOM 0 HH11 ARG A 67 8.227 9.029 -10.092 1.00 75.22 H new ATOM 0 HH12 ARG A 67 9.000 10.496 -9.484 1.00 75.22 H new ATOM 0 HH21 ARG A 67 6.893 10.784 -6.675 1.00 53.01 H new ATOM 0 HH22 ARG A 67 8.251 11.478 -7.567 1.00 53.01 H new ATOM 1027 N ALA A 68 3.624 3.945 -9.189 1.00 22.42 N ATOM 1028 CA ALA A 68 2.609 3.489 -10.123 1.00 53.20 C ATOM 1029 C ALA A 68 1.907 2.230 -9.613 1.00 23.12 C ATOM 1030 O ALA A 68 0.695 2.109 -9.800 1.00 75.12 O ATOM 1031 CB ALA A 68 3.243 3.222 -11.482 1.00 72.33 C ATOM 0 H ALA A 68 4.580 3.792 -9.510 1.00 22.42 H new ATOM 0 HA ALA A 68 1.858 4.273 -10.219 1.00 53.20 H new ATOM 0 HB1 ALA A 68 2.478 2.880 -12.179 1.00 72.33 H new ATOM 0 HB2 ALA A 68 3.694 4.140 -11.859 1.00 72.33 H new ATOM 0 HB3 ALA A 68 4.011 2.455 -11.381 1.00 72.33 H new ATOM 1037 N LYS A 69 2.632 1.301 -8.970 1.00 34.24 N ATOM 1038 CA LYS A 69 2.035 0.117 -8.351 1.00 74.20 C ATOM 1039 C LYS A 69 0.913 0.577 -7.426 1.00 23.34 C ATOM 1040 O LYS A 69 -0.207 0.076 -7.526 1.00 74.50 O ATOM 1041 CB LYS A 69 3.075 -0.718 -7.584 1.00 11.15 C ATOM 1042 CG LYS A 69 2.496 -2.098 -7.224 1.00 33.12 C ATOM 1043 CD LYS A 69 2.753 -3.126 -8.330 1.00 43.34 C ATOM 1044 CE LYS A 69 2.003 -4.435 -8.085 1.00 11.33 C ATOM 1045 NZ LYS A 69 0.717 -4.474 -8.809 1.00 11.33 N ATOM 0 H LYS A 69 3.645 1.353 -8.867 1.00 34.24 H new ATOM 0 HA LYS A 69 1.637 -0.532 -9.131 1.00 74.20 H new ATOM 0 HB2 LYS A 69 3.972 -0.840 -8.191 1.00 11.15 H new ATOM 0 HB3 LYS A 69 3.374 -0.194 -6.676 1.00 11.15 H new ATOM 0 HG2 LYS A 69 2.940 -2.447 -6.292 1.00 33.12 H new ATOM 0 HG3 LYS A 69 1.423 -2.009 -7.052 1.00 33.12 H new ATOM 0 HD2 LYS A 69 2.449 -2.709 -9.290 1.00 43.34 H new ATOM 0 HD3 LYS A 69 3.822 -3.328 -8.395 1.00 43.34 H new ATOM 0 HE2 LYS A 69 2.623 -5.274 -8.401 1.00 11.33 H new ATOM 0 HE3 LYS A 69 1.823 -4.556 -7.017 1.00 11.33 H new ATOM 0 HZ1 LYS A 69 0.238 -5.377 -8.618 1.00 11.33 H new ATOM 0 HZ2 LYS A 69 0.115 -3.688 -8.490 1.00 11.33 H new ATOM 0 HZ3 LYS A 69 0.891 -4.384 -9.830 1.00 11.33 H new ATOM 1059 N TYR A 70 1.223 1.535 -6.549 1.00 53.10 N ATOM 1060 CA TYR A 70 0.306 2.069 -5.558 1.00 31.21 C ATOM 1061 C TYR A 70 -0.969 2.591 -6.213 1.00 54.24 C ATOM 1062 O TYR A 70 -2.058 2.094 -5.927 1.00 33.54 O ATOM 1063 CB TYR A 70 1.007 3.170 -4.754 1.00 35.11 C ATOM 1064 CG TYR A 70 0.204 3.681 -3.580 1.00 24.41 C ATOM 1065 CD1 TYR A 70 -0.320 2.770 -2.644 1.00 22.22 C ATOM 1066 CD2 TYR A 70 0.013 5.065 -3.402 1.00 4.13 C ATOM 1067 CE1 TYR A 70 -1.006 3.245 -1.523 1.00 11.35 C ATOM 1068 CE2 TYR A 70 -0.680 5.545 -2.277 1.00 55.24 C ATOM 1069 CZ TYR A 70 -1.189 4.631 -1.330 1.00 15.00 C ATOM 1070 OH TYR A 70 -1.881 5.048 -0.242 1.00 52.05 O ATOM 0 H TYR A 70 2.146 1.968 -6.514 1.00 53.10 H new ATOM 0 HA TYR A 70 0.013 1.268 -4.879 1.00 31.21 H new ATOM 0 HB2 TYR A 70 1.961 2.788 -4.390 1.00 35.11 H new ATOM 0 HB3 TYR A 70 1.231 4.004 -5.419 1.00 35.11 H new ATOM 0 HD1 TYR A 70 -0.192 1.708 -2.792 1.00 22.22 H new ATOM 0 HD2 TYR A 70 0.400 5.760 -4.132 1.00 4.13 H new ATOM 0 HE1 TYR A 70 -1.399 2.546 -0.799 1.00 11.35 H new ATOM 0 HE2 TYR A 70 -0.822 6.607 -2.138 1.00 55.24 H new ATOM 0 HH TYR A 70 -2.501 4.344 0.041 1.00 52.05 H new ATOM 1080 N GLU A 71 -0.838 3.562 -7.120 1.00 12.22 N ATOM 1081 CA GLU A 71 -1.979 4.214 -7.750 1.00 12.24 C ATOM 1082 C GLU A 71 -2.854 3.209 -8.501 1.00 42.11 C ATOM 1083 O GLU A 71 -4.084 3.241 -8.382 1.00 63.34 O ATOM 1084 CB GLU A 71 -1.488 5.313 -8.707 1.00 73.13 C ATOM 1085 CG GLU A 71 -1.192 6.638 -7.994 1.00 23.54 C ATOM 1086 CD GLU A 71 -2.446 7.354 -7.473 1.00 24.54 C ATOM 1087 OE1 GLU A 71 -3.585 6.849 -7.656 1.00 73.12 O ATOM 1088 OE2 GLU A 71 -2.275 8.431 -6.861 1.00 44.02 O ATOM 0 H GLU A 71 0.065 3.916 -7.436 1.00 12.22 H new ATOM 0 HA GLU A 71 -2.589 4.663 -6.966 1.00 12.24 H new ATOM 0 HB2 GLU A 71 -0.586 4.970 -9.214 1.00 73.13 H new ATOM 0 HB3 GLU A 71 -2.242 5.481 -9.476 1.00 73.13 H new ATOM 0 HG2 GLU A 71 -0.520 6.448 -7.157 1.00 23.54 H new ATOM 0 HG3 GLU A 71 -0.666 7.300 -8.681 1.00 23.54 H new ATOM 1095 N GLY A 72 -2.243 2.304 -9.267 1.00 71.51 N ATOM 1096 CA GLY A 72 -2.966 1.316 -10.056 1.00 51.20 C ATOM 1097 C GLY A 72 -3.782 0.368 -9.184 1.00 51.24 C ATOM 1098 O GLY A 72 -4.810 -0.161 -9.619 1.00 55.11 O ATOM 0 H GLY A 72 -1.229 2.239 -9.355 1.00 71.51 H new ATOM 0 HA2 GLY A 72 -3.629 1.826 -10.755 1.00 51.20 H new ATOM 0 HA3 GLY A 72 -2.258 0.740 -10.652 1.00 51.20 H new ATOM 1102 N LEU A 73 -3.367 0.185 -7.931 1.00 75.51 N ATOM 1103 CA LEU A 73 -3.994 -0.732 -7.004 1.00 75.31 C ATOM 1104 C LEU A 73 -5.361 -0.251 -6.555 1.00 64.43 C ATOM 1105 O LEU A 73 -6.123 -1.080 -6.080 1.00 22.14 O ATOM 1106 CB LEU A 73 -3.111 -0.899 -5.766 1.00 40.21 C ATOM 1107 CG LEU A 73 -3.131 -2.273 -5.078 1.00 23.22 C ATOM 1108 CD1 LEU A 73 -2.781 -3.419 -6.034 1.00 35.45 C ATOM 1109 CD2 LEU A 73 -1.986 -2.193 -4.056 1.00 42.31 C ATOM 0 H LEU A 73 -2.571 0.683 -7.533 1.00 75.51 H new ATOM 0 HA LEU A 73 -4.117 -1.680 -7.527 1.00 75.31 H new ATOM 0 HB2 LEU A 73 -2.082 -0.677 -6.050 1.00 40.21 H new ATOM 0 HB3 LEU A 73 -3.408 -0.148 -5.034 1.00 40.21 H new ATOM 0 HG LEU A 73 -4.122 -2.472 -4.670 1.00 23.22 H new ATOM 0 HD11 LEU A 73 -2.811 -4.365 -5.494 1.00 35.45 H new ATOM 0 HD12 LEU A 73 -3.502 -3.445 -6.851 1.00 35.45 H new ATOM 0 HD13 LEU A 73 -1.781 -3.263 -6.438 1.00 35.45 H new ATOM 0 HD21 LEU A 73 -1.919 -3.134 -3.510 1.00 42.31 H new ATOM 0 HD22 LEU A 73 -1.046 -2.008 -4.576 1.00 42.31 H new ATOM 0 HD23 LEU A 73 -2.179 -1.380 -3.356 1.00 42.31 H new ATOM 1121 N MET A 74 -5.701 1.038 -6.679 1.00 60.40 N ATOM 1122 CA MET A 74 -6.992 1.547 -6.209 1.00 2.15 C ATOM 1123 C MET A 74 -8.150 0.789 -6.865 1.00 31.21 C ATOM 1124 O MET A 74 -9.089 0.368 -6.184 1.00 64.34 O ATOM 1125 CB MET A 74 -7.070 3.061 -6.451 1.00 43.34 C ATOM 1126 CG MET A 74 -8.435 3.631 -6.046 1.00 72.23 C ATOM 1127 SD MET A 74 -8.481 5.437 -5.944 1.00 32.13 S ATOM 1128 CE MET A 74 -7.818 5.655 -4.269 1.00 34.50 C ATOM 0 H MET A 74 -5.099 1.746 -7.101 1.00 60.40 H new ATOM 0 HA MET A 74 -7.080 1.377 -5.136 1.00 2.15 H new ATOM 0 HB2 MET A 74 -6.284 3.561 -5.884 1.00 43.34 H new ATOM 0 HB3 MET A 74 -6.886 3.271 -7.505 1.00 43.34 H new ATOM 0 HG2 MET A 74 -9.183 3.299 -6.766 1.00 72.23 H new ATOM 0 HG3 MET A 74 -8.717 3.216 -5.079 1.00 72.23 H new ATOM 0 HE1 MET A 74 -7.211 6.560 -4.233 1.00 34.50 H new ATOM 0 HE2 MET A 74 -8.641 5.742 -3.560 1.00 34.50 H new ATOM 0 HE3 MET A 74 -7.202 4.795 -4.006 1.00 34.50 H new ATOM 1138 N ALA A 75 -8.053 0.556 -8.177 1.00 1.24 N ATOM 1139 CA ALA A 75 -9.047 -0.214 -8.909 1.00 20.11 C ATOM 1140 C ALA A 75 -9.141 -1.644 -8.374 1.00 62.54 C ATOM 1141 O ALA A 75 -10.236 -2.194 -8.249 1.00 73.14 O ATOM 1142 CB ALA A 75 -8.643 -0.260 -10.378 1.00 11.22 C ATOM 0 H ALA A 75 -7.284 0.897 -8.754 1.00 1.24 H new ATOM 0 HA ALA A 75 -10.019 0.264 -8.787 1.00 20.11 H new ATOM 0 HB1 ALA A 75 -9.379 -0.834 -10.940 1.00 11.22 H new ATOM 0 HB2 ALA A 75 -8.595 0.754 -10.774 1.00 11.22 H new ATOM 0 HB3 ALA A 75 -7.665 -0.733 -10.472 1.00 11.22 H new ATOM 1148 N VAL A 76 -7.992 -2.255 -8.083 1.00 33.51 N ATOM 1149 CA VAL A 76 -7.892 -3.646 -7.658 1.00 61.41 C ATOM 1150 C VAL A 76 -8.435 -3.796 -6.243 1.00 33.45 C ATOM 1151 O VAL A 76 -9.187 -4.723 -5.951 1.00 0.41 O ATOM 1152 CB VAL A 76 -6.427 -4.127 -7.719 1.00 35.44 C ATOM 1153 CG1 VAL A 76 -6.425 -5.661 -7.672 1.00 11.05 C ATOM 1154 CG2 VAL A 76 -5.715 -3.638 -8.991 1.00 3.33 C ATOM 0 H VAL A 76 -7.089 -1.785 -8.138 1.00 33.51 H new ATOM 0 HA VAL A 76 -8.485 -4.261 -8.335 1.00 61.41 H new ATOM 0 HB VAL A 76 -5.883 -3.712 -6.870 1.00 35.44 H new ATOM 0 HG11 VAL A 76 -5.398 -6.025 -7.714 1.00 11.05 H new ATOM 0 HG12 VAL A 76 -6.892 -5.997 -6.746 1.00 11.05 H new ATOM 0 HG13 VAL A 76 -6.984 -6.052 -8.523 1.00 11.05 H new ATOM 0 HG21 VAL A 76 -4.686 -3.999 -8.994 1.00 3.33 H new ATOM 0 HG22 VAL A 76 -6.236 -4.020 -9.869 1.00 3.33 H new ATOM 0 HG23 VAL A 76 -5.717 -2.548 -9.013 1.00 3.33 H new ATOM 1164 N ALA A 77 -8.087 -2.852 -5.373 1.00 14.24 N ATOM 1165 CA ALA A 77 -8.525 -2.785 -4.001 1.00 73.44 C ATOM 1166 C ALA A 77 -10.058 -2.811 -3.983 1.00 52.40 C ATOM 1167 O ALA A 77 -10.691 -3.535 -3.211 1.00 60.12 O ATOM 1168 CB ALA A 77 -7.994 -1.499 -3.367 1.00 35.34 C ATOM 0 H ALA A 77 -7.465 -2.084 -5.626 1.00 14.24 H new ATOM 0 HA ALA A 77 -8.145 -3.632 -3.429 1.00 73.44 H new ATOM 0 HB1 ALA A 77 -8.322 -1.443 -2.329 1.00 35.34 H new ATOM 0 HB2 ALA A 77 -6.905 -1.498 -3.404 1.00 35.34 H new ATOM 0 HB3 ALA A 77 -8.376 -0.638 -3.916 1.00 35.34 H new ATOM 1174 N LYS A 78 -10.658 -1.977 -4.838 1.00 41.41 N ATOM 1175 CA LYS A 78 -12.096 -1.853 -4.992 1.00 41.11 C ATOM 1176 C LYS A 78 -12.708 -3.087 -5.612 1.00 54.21 C ATOM 1177 O LYS A 78 -13.810 -3.429 -5.183 1.00 71.52 O ATOM 1178 CB LYS A 78 -12.419 -0.637 -5.857 1.00 52.44 C ATOM 1179 CG LYS A 78 -12.483 0.655 -5.029 1.00 60.10 C ATOM 1180 CD LYS A 78 -12.856 1.830 -5.934 1.00 44.42 C ATOM 1181 CE LYS A 78 -14.286 1.698 -6.487 1.00 12.30 C ATOM 1182 NZ LYS A 78 -14.414 2.370 -7.793 1.00 31.22 N ATOM 0 H LYS A 78 -10.135 -1.356 -5.455 1.00 41.41 H new ATOM 0 HA LYS A 78 -12.523 -1.732 -3.997 1.00 41.11 H new ATOM 0 HB2 LYS A 78 -11.662 -0.533 -6.634 1.00 52.44 H new ATOM 0 HB3 LYS A 78 -13.373 -0.793 -6.361 1.00 52.44 H new ATOM 0 HG2 LYS A 78 -13.218 0.551 -4.231 1.00 60.10 H new ATOM 0 HG3 LYS A 78 -11.520 0.841 -4.553 1.00 60.10 H new ATOM 0 HD2 LYS A 78 -12.768 2.761 -5.374 1.00 44.42 H new ATOM 0 HD3 LYS A 78 -12.150 1.888 -6.763 1.00 44.42 H new ATOM 0 HE2 LYS A 78 -14.544 0.644 -6.590 1.00 12.30 H new ATOM 0 HE3 LYS A 78 -14.994 2.131 -5.781 1.00 12.30 H new ATOM 0 HZ1 LYS A 78 -15.388 2.266 -8.143 1.00 31.22 H new ATOM 0 HZ2 LYS A 78 -14.190 3.380 -7.687 1.00 31.22 H new ATOM 0 HZ3 LYS A 78 -13.754 1.939 -8.471 1.00 31.22 H new ATOM 1196 N ALA A 79 -12.041 -3.732 -6.573 1.00 3.44 N ATOM 1197 CA ALA A 79 -12.501 -5.001 -7.106 1.00 64.52 C ATOM 1198 C ALA A 79 -12.710 -5.948 -5.927 1.00 60.23 C ATOM 1199 O ALA A 79 -13.833 -6.397 -5.702 1.00 1.04 O ATOM 1200 CB ALA A 79 -11.539 -5.555 -8.165 1.00 2.23 C ATOM 0 H ALA A 79 -11.178 -3.388 -6.994 1.00 3.44 H new ATOM 0 HA ALA A 79 -13.447 -4.876 -7.633 1.00 64.52 H new ATOM 0 HB1 ALA A 79 -11.918 -6.506 -8.539 1.00 2.23 H new ATOM 0 HB2 ALA A 79 -11.458 -4.846 -8.989 1.00 2.23 H new ATOM 0 HB3 ALA A 79 -10.556 -5.707 -7.720 1.00 2.23 H new ATOM 1206 N GLN A 80 -11.659 -6.140 -5.122 1.00 73.54 N ATOM 1207 CA GLN A 80 -11.668 -7.080 -4.013 1.00 64.33 C ATOM 1208 C GLN A 80 -12.762 -6.787 -2.987 1.00 31.44 C ATOM 1209 O GLN A 80 -13.310 -7.728 -2.449 1.00 75.43 O ATOM 1210 CB GLN A 80 -10.312 -7.106 -3.308 1.00 44.01 C ATOM 1211 CG GLN A 80 -9.206 -7.775 -4.139 1.00 64.12 C ATOM 1212 CD GLN A 80 -7.896 -7.819 -3.358 1.00 32.25 C ATOM 1213 OE1 GLN A 80 -7.783 -7.233 -2.284 1.00 33.11 O ATOM 1214 NE2 GLN A 80 -6.877 -8.489 -3.866 1.00 40.43 N ATOM 0 H GLN A 80 -10.776 -5.641 -5.229 1.00 73.54 H new ATOM 0 HA GLN A 80 -11.879 -8.055 -4.452 1.00 64.33 H new ATOM 0 HB2 GLN A 80 -10.013 -6.084 -3.074 1.00 44.01 H new ATOM 0 HB3 GLN A 80 -10.414 -7.634 -2.360 1.00 44.01 H new ATOM 0 HG2 GLN A 80 -9.509 -8.787 -4.409 1.00 64.12 H new ATOM 0 HG3 GLN A 80 -9.062 -7.227 -5.070 1.00 64.12 H new ATOM 0 HE21 GLN A 80 -6.979 -8.973 -4.758 1.00 40.43 H new ATOM 0 HE22 GLN A 80 -5.989 -8.522 -3.366 1.00 40.43 H new ATOM 1223 N LEU A 81 -13.133 -5.538 -2.697 1.00 33.41 N ATOM 1224 CA LEU A 81 -14.162 -5.246 -1.697 1.00 75.53 C ATOM 1225 C LEU A 81 -15.482 -5.897 -2.071 1.00 52.00 C ATOM 1226 O LEU A 81 -16.163 -6.455 -1.208 1.00 72.34 O ATOM 1227 CB LEU A 81 -14.479 -3.744 -1.649 1.00 40.13 C ATOM 1228 CG LEU A 81 -13.563 -2.829 -0.848 1.00 20.42 C ATOM 1229 CD1 LEU A 81 -14.002 -1.394 -1.184 1.00 51.11 C ATOM 1230 CD2 LEU A 81 -13.667 -3.073 0.658 1.00 2.43 C ATOM 0 H LEU A 81 -12.735 -4.711 -3.142 1.00 33.41 H new ATOM 0 HA LEU A 81 -13.769 -5.615 -0.750 1.00 75.53 H new ATOM 0 HB2 LEU A 81 -14.498 -3.377 -2.675 1.00 40.13 H new ATOM 0 HB3 LEU A 81 -15.488 -3.632 -1.252 1.00 40.13 H new ATOM 0 HG LEU A 81 -12.522 -3.017 -1.110 1.00 20.42 H new ATOM 0 HD11 LEU A 81 -13.379 -0.686 -0.637 1.00 51.11 H new ATOM 0 HD12 LEU A 81 -13.893 -1.222 -2.255 1.00 51.11 H new ATOM 0 HD13 LEU A 81 -15.045 -1.256 -0.898 1.00 51.11 H new ATOM 0 HD21 LEU A 81 -12.994 -2.395 1.184 1.00 2.43 H new ATOM 0 HD22 LEU A 81 -14.691 -2.894 0.986 1.00 2.43 H new ATOM 0 HD23 LEU A 81 -13.390 -4.104 0.880 1.00 2.43 H new ATOM 1242 N MET A 82 -15.890 -5.691 -3.322 1.00 23.13 N ATOM 1243 CA MET A 82 -17.171 -6.166 -3.814 1.00 15.04 C ATOM 1244 C MET A 82 -17.105 -7.672 -4.080 1.00 55.13 C ATOM 1245 O MET A 82 -18.142 -8.331 -4.097 1.00 21.34 O ATOM 1246 CB MET A 82 -17.549 -5.404 -5.089 1.00 73.42 C ATOM 1247 CG MET A 82 -17.253 -3.897 -5.055 1.00 40.34 C ATOM 1248 SD MET A 82 -17.759 -2.965 -3.579 1.00 14.13 S ATOM 1249 CE MET A 82 -19.471 -2.609 -4.023 1.00 20.43 C ATOM 0 H MET A 82 -15.338 -5.190 -4.018 1.00 23.13 H new ATOM 0 HA MET A 82 -17.938 -5.986 -3.061 1.00 15.04 H new ATOM 0 HB2 MET A 82 -17.015 -5.845 -5.930 1.00 73.42 H new ATOM 0 HB3 MET A 82 -18.613 -5.546 -5.277 1.00 73.42 H new ATOM 0 HG2 MET A 82 -16.179 -3.764 -5.183 1.00 40.34 H new ATOM 0 HG3 MET A 82 -17.735 -3.442 -5.920 1.00 40.34 H new ATOM 0 HE1 MET A 82 -19.943 -2.037 -3.224 1.00 20.43 H new ATOM 0 HE2 MET A 82 -19.495 -2.030 -4.946 1.00 20.43 H new ATOM 0 HE3 MET A 82 -20.012 -3.544 -4.167 1.00 20.43 H new ATOM 1259 N ASP A 83 -15.895 -8.196 -4.277 1.00 43.14 N ATOM 1260 CA ASP A 83 -15.574 -9.611 -4.387 1.00 4.25 C ATOM 1261 C ASP A 83 -15.747 -10.282 -3.017 1.00 74.31 C ATOM 1262 O ASP A 83 -16.441 -11.289 -2.895 1.00 41.00 O ATOM 1263 CB ASP A 83 -14.126 -9.718 -4.893 1.00 31.21 C ATOM 1264 CG ASP A 83 -13.812 -11.045 -5.551 1.00 34.24 C ATOM 1265 OD1 ASP A 83 -13.669 -12.069 -4.853 1.00 71.13 O ATOM 1266 OD2 ASP A 83 -13.621 -11.051 -6.786 1.00 72.30 O ATOM 0 H ASP A 83 -15.068 -7.606 -4.369 1.00 43.14 H new ATOM 0 HA ASP A 83 -16.239 -10.120 -5.085 1.00 4.25 H new ATOM 0 HB2 ASP A 83 -13.938 -8.915 -5.606 1.00 31.21 H new ATOM 0 HB3 ASP A 83 -13.445 -9.567 -4.056 1.00 31.21 H new ATOM 1271 N GLU A 84 -15.188 -9.666 -1.969 1.00 21.45 N ATOM 1272 CA GLU A 84 -15.252 -10.088 -0.567 1.00 23.33 C ATOM 1273 C GLU A 84 -16.650 -9.908 0.055 1.00 52.30 C ATOM 1274 O GLU A 84 -16.818 -10.109 1.264 1.00 41.42 O ATOM 1275 CB GLU A 84 -14.253 -9.257 0.272 1.00 22.54 C ATOM 1276 CG GLU A 84 -12.756 -9.522 0.027 1.00 15.14 C ATOM 1277 CD GLU A 84 -11.914 -9.683 1.298 1.00 24.12 C ATOM 1278 OE1 GLU A 84 -12.303 -9.181 2.378 1.00 74.20 O ATOM 1279 OE2 GLU A 84 -10.751 -10.134 1.177 1.00 31.54 O ATOM 0 H GLU A 84 -14.647 -8.809 -2.085 1.00 21.45 H new ATOM 0 HA GLU A 84 -15.006 -11.150 -0.555 1.00 23.33 H new ATOM 0 HB2 GLU A 84 -14.447 -8.201 0.084 1.00 22.54 H new ATOM 0 HB3 GLU A 84 -14.462 -9.437 1.327 1.00 22.54 H new ATOM 0 HG2 GLU A 84 -12.655 -10.425 -0.575 1.00 15.14 H new ATOM 0 HG3 GLU A 84 -12.348 -8.700 -0.561 1.00 15.14 H new ATOM 1286 N LEU A 85 -17.626 -9.386 -0.690 1.00 74.33 N ATOM 1287 CA LEU A 85 -18.984 -9.162 -0.201 1.00 23.23 C ATOM 1288 C LEU A 85 -19.753 -10.441 -0.468 1.00 55.00 C ATOM 1289 O LEU A 85 -19.697 -10.926 -1.626 1.00 20.15 O ATOM 1290 CB LEU A 85 -19.614 -7.941 -0.895 1.00 44.04 C ATOM 1291 CG LEU A 85 -20.645 -7.166 -0.057 1.00 32.41 C ATOM 1292 CD1 LEU A 85 -21.333 -6.140 -0.963 1.00 63.14 C ATOM 1293 CD2 LEU A 85 -21.733 -8.017 0.595 1.00 13.41 C ATOM 0 H LEU A 85 -17.492 -9.104 -1.661 1.00 74.33 H new ATOM 0 HA LEU A 85 -18.999 -8.936 0.865 1.00 23.23 H new ATOM 0 HB2 LEU A 85 -18.816 -7.256 -1.183 1.00 44.04 H new ATOM 0 HB3 LEU A 85 -20.095 -8.275 -1.814 1.00 44.04 H new ATOM 0 HG LEU A 85 -20.080 -6.716 0.759 1.00 32.41 H new ATOM 0 HD11 LEU A 85 -22.069 -5.580 -0.386 1.00 63.14 H new ATOM 0 HD12 LEU A 85 -20.589 -5.453 -1.366 1.00 63.14 H new ATOM 0 HD13 LEU A 85 -21.832 -6.656 -1.783 1.00 63.14 H new ATOM 0 HD21 LEU A 85 -22.407 -7.374 1.162 1.00 13.41 H new ATOM 0 HD22 LEU A 85 -22.296 -8.542 -0.177 1.00 13.41 H new ATOM 0 HD23 LEU A 85 -21.274 -8.743 1.266 1.00 13.41 H new TER 1305 LEU A 85