USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 719 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 70 ASN : amide:sc= -0.89 K(o=-1.3,f=-4.1) USER MOD Set 1.2: A 82 TYR OH : rot 76:sc= -0.363 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0306 (180deg=-0.377) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 37:sc= 0.402 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 23 SER OG : rot -26:sc= 0.0195 USER MOD Single : A 26 SER OG : rot -114:sc= 0.636 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 55 SER OG : rot 180:sc= -0.136 USER MOD Single : A 58 SER OG : rot 92:sc= 0.655 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 33:sc= 0.171 USER MOD Single : A 73 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.4) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 77 ASN : amide:sc=-0.00158 X(o=-0.0016,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.987 -0.626 4.201 1.00 13.32 N ATOM 2 CA MET A 1 2.650 -0.821 2.796 1.00 73.41 C ATOM 3 C MET A 1 2.580 0.514 2.062 1.00 12.25 C ATOM 4 O MET A 1 1.587 1.236 2.161 1.00 25.01 O ATOM 5 CB MET A 1 1.315 -1.558 2.667 1.00 12.33 C ATOM 6 CG MET A 1 1.309 -2.926 3.329 1.00 63.21 C ATOM 7 SD MET A 1 -0.282 -3.761 3.184 1.00 71.40 S ATOM 8 CE MET A 1 0.089 -5.333 3.958 1.00 33.25 C ATOM 0 H1 MET A 1 3.293 -1.530 4.613 1.00 13.32 H new ATOM 0 H2 MET A 1 3.757 0.069 4.280 1.00 13.32 H new ATOM 0 H3 MET A 1 2.152 -0.277 4.713 1.00 13.32 H new ATOM 0 HA MET A 1 3.436 -1.424 2.341 1.00 73.41 H new ATOM 0 HB2 MET A 1 0.528 -0.947 3.108 1.00 12.33 H new ATOM 0 HB3 MET A 1 1.074 -1.674 1.610 1.00 12.33 H new ATOM 0 HG2 MET A 1 2.083 -3.547 2.878 1.00 63.21 H new ATOM 0 HG3 MET A 1 1.562 -2.816 4.383 1.00 63.21 H new ATOM 0 HE1 MET A 1 -0.800 -5.963 3.946 1.00 33.25 H new ATOM 0 HE2 MET A 1 0.892 -5.827 3.411 1.00 33.25 H new ATOM 0 HE3 MET A 1 0.401 -5.166 4.989 1.00 33.25 H new ATOM 18 N SER A 2 3.639 0.837 1.328 1.00 62.05 N ATOM 19 CA SER A 2 3.699 2.088 0.581 1.00 42.11 C ATOM 20 C SER A 2 4.509 1.917 -0.701 1.00 55.41 C ATOM 21 O SER A 2 5.739 1.913 -0.674 1.00 52.43 O ATOM 22 CB SER A 2 4.315 3.192 1.443 1.00 53.01 C ATOM 23 OG SER A 2 3.726 4.449 1.158 1.00 44.31 O ATOM 0 H SER A 2 4.468 0.250 1.234 1.00 62.05 H new ATOM 0 HA SER A 2 2.681 2.371 0.312 1.00 42.11 H new ATOM 0 HB2 SER A 2 4.178 2.953 2.498 1.00 53.01 H new ATOM 0 HB3 SER A 2 5.389 3.241 1.264 1.00 53.01 H new ATOM 0 HG SER A 2 4.135 5.138 1.723 1.00 44.31 H new ATOM 29 N GLN A 3 3.808 1.777 -1.822 1.00 34.34 N ATOM 30 CA GLN A 3 4.461 1.605 -3.114 1.00 35.21 C ATOM 31 C GLN A 3 4.148 2.774 -4.042 1.00 12.23 C ATOM 32 O GLN A 3 2.995 3.183 -4.174 1.00 60.20 O ATOM 33 CB GLN A 3 4.018 0.292 -3.762 1.00 70.20 C ATOM 34 CG GLN A 3 2.509 0.138 -3.856 1.00 55.20 C ATOM 35 CD GLN A 3 1.986 -1.014 -3.020 1.00 51.35 C ATOM 36 OE1 GLN A 3 1.473 -0.814 -1.919 1.00 21.11 O ATOM 37 NE2 GLN A 3 2.113 -2.229 -3.541 1.00 42.42 N ATOM 0 H GLN A 3 2.789 1.779 -1.861 1.00 34.34 H new ATOM 0 HA GLN A 3 5.538 1.575 -2.947 1.00 35.21 H new ATOM 0 HB2 GLN A 3 4.444 0.229 -4.763 1.00 70.20 H new ATOM 0 HB3 GLN A 3 4.425 -0.541 -3.189 1.00 70.20 H new ATOM 0 HG2 GLN A 3 2.032 1.063 -3.531 1.00 55.20 H new ATOM 0 HG3 GLN A 3 2.228 -0.017 -4.898 1.00 55.20 H new ATOM 0 HE21 GLN A 3 2.545 -2.348 -4.457 1.00 42.42 H new ATOM 0 HE22 GLN A 3 1.779 -3.043 -3.025 1.00 42.42 H new ATOM 46 N ASN A 4 5.183 3.309 -4.682 1.00 31.34 N ATOM 47 CA ASN A 4 5.018 4.432 -5.597 1.00 3.44 C ATOM 48 C ASN A 4 4.504 3.959 -6.953 1.00 31.14 C ATOM 49 O ASN A 4 5.256 3.406 -7.754 1.00 24.54 O ATOM 50 CB ASN A 4 6.346 5.173 -5.772 1.00 71.53 C ATOM 51 CG ASN A 4 6.482 6.348 -4.824 1.00 42.33 C ATOM 52 OD1 ASN A 4 6.604 7.495 -5.254 1.00 44.50 O ATOM 53 ND2 ASN A 4 6.462 6.067 -3.527 1.00 0.24 N ATOM 0 H ASN A 4 6.144 2.983 -4.584 1.00 31.34 H new ATOM 0 HA ASN A 4 4.283 5.113 -5.168 1.00 3.44 H new ATOM 0 HB2 ASN A 4 7.170 4.479 -5.607 1.00 71.53 H new ATOM 0 HB3 ASN A 4 6.428 5.527 -6.799 1.00 71.53 H new ATOM 0 HD21 ASN A 4 6.550 6.817 -2.841 1.00 0.24 H new ATOM 0 HD22 ASN A 4 6.359 5.101 -3.216 1.00 0.24 H new ATOM 60 N GLU A 5 3.217 4.181 -7.202 1.00 2.31 N ATOM 61 CA GLU A 5 2.603 3.777 -8.461 1.00 33.11 C ATOM 62 C GLU A 5 1.287 4.517 -8.687 1.00 5.01 C ATOM 63 O GLU A 5 0.355 4.403 -7.892 1.00 4.02 O ATOM 64 CB GLU A 5 2.359 2.266 -8.473 1.00 41.32 C ATOM 65 CG GLU A 5 3.198 1.523 -9.499 1.00 73.13 C ATOM 66 CD GLU A 5 2.882 0.040 -9.547 1.00 4.42 C ATOM 67 OE1 GLU A 5 3.811 -0.755 -9.804 1.00 15.15 O ATOM 68 OE2 GLU A 5 1.709 -0.324 -9.328 1.00 35.43 O ATOM 0 H GLU A 5 2.580 4.638 -6.549 1.00 2.31 H new ATOM 0 HA GLU A 5 3.288 4.034 -9.269 1.00 33.11 H new ATOM 0 HB2 GLU A 5 2.572 1.864 -7.482 1.00 41.32 H new ATOM 0 HB3 GLU A 5 1.304 2.078 -8.674 1.00 41.32 H new ATOM 0 HG2 GLU A 5 3.030 1.959 -10.484 1.00 73.13 H new ATOM 0 HG3 GLU A 5 4.254 1.658 -9.266 1.00 73.13 H new ATOM 75 N GLU A 6 1.222 5.276 -9.777 1.00 33.34 N ATOM 76 CA GLU A 6 0.022 6.036 -10.106 1.00 73.42 C ATOM 77 C GLU A 6 -0.964 5.180 -10.898 1.00 5.31 C ATOM 78 O GLU A 6 -0.567 4.391 -11.755 1.00 33.24 O ATOM 79 CB GLU A 6 0.387 7.286 -10.908 1.00 43.23 C ATOM 80 CG GLU A 6 1.161 6.988 -12.182 1.00 11.13 C ATOM 81 CD GLU A 6 0.966 8.052 -13.245 1.00 24.40 C ATOM 82 OE1 GLU A 6 0.097 7.861 -14.121 1.00 41.33 O ATOM 83 OE2 GLU A 6 1.683 9.073 -13.201 1.00 51.22 O ATOM 0 H GLU A 6 1.985 5.381 -10.446 1.00 33.34 H new ATOM 0 HA GLU A 6 -0.453 6.338 -9.173 1.00 73.42 H new ATOM 0 HB2 GLU A 6 -0.527 7.822 -11.165 1.00 43.23 H new ATOM 0 HB3 GLU A 6 0.980 7.950 -10.280 1.00 43.23 H new ATOM 0 HG2 GLU A 6 2.222 6.905 -11.947 1.00 11.13 H new ATOM 0 HG3 GLU A 6 0.845 6.023 -12.577 1.00 11.13 H new ATOM 90 N ALA A 7 -2.249 5.344 -10.604 1.00 32.34 N ATOM 91 CA ALA A 7 -3.291 4.589 -11.288 1.00 34.41 C ATOM 92 C ALA A 7 -3.385 4.989 -12.756 1.00 61.24 C ATOM 93 O ALA A 7 -2.924 6.055 -13.165 1.00 31.02 O ATOM 94 CB ALA A 7 -4.631 4.793 -10.597 1.00 14.12 C ATOM 0 H ALA A 7 -2.594 5.993 -9.897 1.00 32.34 H new ATOM 0 HA ALA A 7 -3.028 3.532 -11.242 1.00 34.41 H new ATOM 0 HB1 ALA A 7 -5.400 4.223 -11.119 1.00 14.12 H new ATOM 0 HB2 ALA A 7 -4.564 4.451 -9.564 1.00 14.12 H new ATOM 0 HB3 ALA A 7 -4.891 5.851 -10.612 1.00 14.12 H new ATOM 100 N PRO A 8 -3.995 4.115 -13.571 1.00 64.11 N ATOM 101 CA PRO A 8 -4.162 4.356 -15.007 1.00 74.33 C ATOM 102 C PRO A 8 -5.162 5.471 -15.295 1.00 63.02 C ATOM 103 O PRO A 8 -4.941 6.303 -16.175 1.00 32.13 O ATOM 104 CB PRO A 8 -4.689 3.018 -15.532 1.00 64.43 C ATOM 105 CG PRO A 8 -5.351 2.384 -14.358 1.00 55.20 C ATOM 106 CD PRO A 8 -4.568 2.824 -13.153 1.00 4.53 C ATOM 0 HA PRO A 8 -3.233 4.678 -15.477 1.00 74.33 H new ATOM 0 HB2 PRO A 8 -5.392 3.164 -16.352 1.00 64.43 H new ATOM 0 HB3 PRO A 8 -3.879 2.396 -15.913 1.00 64.43 H new ATOM 0 HG2 PRO A 8 -6.393 2.696 -14.282 1.00 55.20 H new ATOM 0 HG3 PRO A 8 -5.350 1.298 -14.449 1.00 55.20 H new ATOM 0 HD2 PRO A 8 -5.207 2.933 -12.277 1.00 4.53 H new ATOM 0 HD3 PRO A 8 -3.791 2.105 -12.894 1.00 4.53 H new ATOM 114 N ALA A 9 -6.261 5.482 -14.548 1.00 4.02 N ATOM 115 CA ALA A 9 -7.292 6.497 -14.722 1.00 34.15 C ATOM 116 C ALA A 9 -7.729 6.592 -16.180 1.00 2.15 C ATOM 117 O ALA A 9 -8.119 7.660 -16.652 1.00 61.10 O ATOM 118 CB ALA A 9 -6.793 7.847 -14.229 1.00 21.02 C ATOM 0 H ALA A 9 -6.460 4.799 -13.817 1.00 4.02 H new ATOM 0 HA ALA A 9 -8.158 6.204 -14.129 1.00 34.15 H new ATOM 0 HB1 ALA A 9 -7.574 8.595 -14.365 1.00 21.02 H new ATOM 0 HB2 ALA A 9 -6.538 7.777 -13.172 1.00 21.02 H new ATOM 0 HB3 ALA A 9 -5.909 8.138 -14.797 1.00 21.02 H new ATOM 124 N ARG A 10 -7.660 5.470 -16.888 1.00 24.54 N ATOM 125 CA ARG A 10 -8.046 5.428 -18.293 1.00 20.52 C ATOM 126 C ARG A 10 -9.438 4.825 -18.456 1.00 54.20 C ATOM 127 O ARG A 10 -10.173 5.177 -19.379 1.00 34.23 O ATOM 128 CB ARG A 10 -7.030 4.616 -19.099 1.00 0.40 C ATOM 129 CG ARG A 10 -5.820 5.423 -19.541 1.00 62.20 C ATOM 130 CD ARG A 10 -4.754 4.533 -20.162 1.00 10.23 C ATOM 131 NE ARG A 10 -3.544 4.478 -19.346 1.00 0.02 N ATOM 132 CZ ARG A 10 -2.647 5.457 -19.294 1.00 34.21 C ATOM 133 NH1 ARG A 10 -2.824 6.561 -20.007 1.00 31.25 N ATOM 134 NH2 ARG A 10 -1.571 5.332 -18.527 1.00 53.45 N ATOM 0 H ARG A 10 -7.340 4.578 -16.512 1.00 24.54 H new ATOM 0 HA ARG A 10 -8.065 6.451 -18.670 1.00 20.52 H new ATOM 0 HB2 ARG A 10 -6.693 3.771 -18.498 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -7.523 4.204 -19.980 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -6.129 6.180 -20.262 1.00 62.20 H new ATOM 0 HG3 ARG A 10 -5.401 5.951 -18.685 1.00 62.20 H new ATOM 0 HD2 ARG A 10 -5.151 3.526 -20.289 1.00 10.23 H new ATOM 0 HD3 ARG A 10 -4.505 4.905 -21.156 1.00 10.23 H new ATOM 0 HE ARG A 10 -3.378 3.642 -18.785 1.00 0.02 H new ATOM 0 HH11 ARG A 10 -3.650 6.660 -20.597 1.00 31.25 H new ATOM 0 HH12 ARG A 10 -2.134 7.311 -19.965 1.00 31.25 H new ATOM 0 HH21 ARG A 10 -1.432 4.484 -17.977 1.00 53.45 H new ATOM 0 HH22 ARG A 10 -0.883 6.084 -18.487 1.00 53.45 H new ATOM 148 N SER A 11 -9.793 3.916 -17.554 1.00 75.52 N ATOM 149 CA SER A 11 -11.096 3.261 -17.601 1.00 23.13 C ATOM 150 C SER A 11 -11.994 3.758 -16.472 1.00 51.03 C ATOM 151 O SER A 11 -11.572 3.844 -15.320 1.00 35.43 O ATOM 152 CB SER A 11 -10.931 1.743 -17.505 1.00 64.14 C ATOM 153 OG SER A 11 -11.119 1.129 -18.769 1.00 4.23 O ATOM 0 H SER A 11 -9.198 3.616 -16.782 1.00 75.52 H new ATOM 0 HA SER A 11 -11.566 3.509 -18.553 1.00 23.13 H new ATOM 0 HB2 SER A 11 -9.937 1.505 -17.126 1.00 64.14 H new ATOM 0 HB3 SER A 11 -11.649 1.340 -16.791 1.00 64.14 H new ATOM 0 HG SER A 11 -11.007 0.159 -18.682 1.00 4.23 H new ATOM 159 N GLY A 12 -13.237 4.085 -16.814 1.00 1.00 N ATOM 160 CA GLY A 12 -14.176 4.570 -15.820 1.00 33.12 C ATOM 161 C GLY A 12 -14.265 6.083 -15.795 1.00 22.10 C ATOM 162 O GLY A 12 -13.874 6.750 -16.752 1.00 0.44 O ATOM 0 H GLY A 12 -13.610 4.023 -17.761 1.00 1.00 H new ATOM 0 HA2 GLY A 12 -15.163 4.155 -16.024 1.00 33.12 H new ATOM 0 HA3 GLY A 12 -13.876 4.211 -14.836 1.00 33.12 H new ATOM 166 N GLY A 13 -14.782 6.626 -14.697 1.00 53.22 N ATOM 167 CA GLY A 13 -14.913 8.066 -14.573 1.00 54.11 C ATOM 168 C GLY A 13 -13.738 8.695 -13.852 1.00 43.44 C ATOM 169 O GLY A 13 -12.794 8.005 -13.467 1.00 11.04 O ATOM 0 H GLY A 13 -15.112 6.095 -13.891 1.00 53.22 H new ATOM 0 HA2 GLY A 13 -15.004 8.506 -15.566 1.00 54.11 H new ATOM 0 HA3 GLY A 13 -15.832 8.299 -14.036 1.00 54.11 H new ATOM 173 N LYS A 14 -13.792 10.011 -13.671 1.00 31.41 N ATOM 174 CA LYS A 14 -12.724 10.735 -12.992 1.00 61.42 C ATOM 175 C LYS A 14 -13.290 11.862 -12.135 1.00 32.12 C ATOM 176 O LYS A 14 -14.434 12.278 -12.316 1.00 14.51 O ATOM 177 CB LYS A 14 -11.736 11.303 -14.014 1.00 13.34 C ATOM 178 CG LYS A 14 -10.779 10.267 -14.576 1.00 4.02 C ATOM 179 CD LYS A 14 -9.336 10.593 -14.227 1.00 12.33 C ATOM 180 CE LYS A 14 -8.882 11.886 -14.887 1.00 64.10 C ATOM 181 NZ LYS A 14 -7.856 11.641 -15.938 1.00 63.22 N ATOM 0 H LYS A 14 -14.565 10.598 -13.986 1.00 31.41 H new ATOM 0 HA LYS A 14 -12.201 10.035 -12.340 1.00 61.42 H new ATOM 0 HB2 LYS A 14 -12.294 11.753 -14.835 1.00 13.34 H new ATOM 0 HB3 LYS A 14 -11.160 12.101 -13.545 1.00 13.34 H new ATOM 0 HG2 LYS A 14 -11.036 9.283 -14.184 1.00 4.02 H new ATOM 0 HG3 LYS A 14 -10.890 10.218 -15.659 1.00 4.02 H new ATOM 0 HD2 LYS A 14 -9.233 10.679 -13.145 1.00 12.33 H new ATOM 0 HD3 LYS A 14 -8.690 9.775 -14.545 1.00 12.33 H new ATOM 0 HE2 LYS A 14 -9.742 12.390 -15.329 1.00 64.10 H new ATOM 0 HE3 LYS A 14 -8.474 12.556 -14.130 1.00 64.10 H new ATOM 0 HZ1 LYS A 14 -7.572 12.546 -16.364 1.00 63.22 H new ATOM 0 HZ2 LYS A 14 -7.025 11.183 -15.512 1.00 63.22 H new ATOM 0 HZ3 LYS A 14 -8.253 11.022 -16.673 1.00 63.22 H new ATOM 195 N VAL A 15 -12.481 12.353 -11.201 1.00 72.12 N ATOM 196 CA VAL A 15 -12.901 13.434 -10.317 1.00 61.15 C ATOM 197 C VAL A 15 -11.715 14.299 -9.906 1.00 51.55 C ATOM 198 O VAL A 15 -10.620 13.795 -9.657 1.00 62.32 O ATOM 199 CB VAL A 15 -13.588 12.889 -9.051 1.00 51.13 C ATOM 200 CG1 VAL A 15 -14.758 11.991 -9.423 1.00 13.31 C ATOM 201 CG2 VAL A 15 -12.588 12.142 -8.182 1.00 44.41 C ATOM 0 H VAL A 15 -11.531 12.019 -11.037 1.00 72.12 H new ATOM 0 HA VAL A 15 -13.614 14.041 -10.875 1.00 61.15 H new ATOM 0 HB VAL A 15 -13.975 13.731 -8.478 1.00 51.13 H new ATOM 0 HG11 VAL A 15 -15.231 11.615 -8.516 1.00 13.31 H new ATOM 0 HG12 VAL A 15 -15.485 12.561 -10.002 1.00 13.31 H new ATOM 0 HG13 VAL A 15 -14.398 11.152 -10.018 1.00 13.31 H new ATOM 0 HG21 VAL A 15 -13.091 11.764 -7.292 1.00 44.41 H new ATOM 0 HG22 VAL A 15 -12.169 11.307 -8.744 1.00 44.41 H new ATOM 0 HG23 VAL A 15 -11.786 12.819 -7.886 1.00 44.41 H new ATOM 211 N THR A 16 -11.940 15.608 -9.837 1.00 34.13 N ATOM 212 CA THR A 16 -10.891 16.545 -9.456 1.00 61.15 C ATOM 213 C THR A 16 -11.267 17.309 -8.192 1.00 73.40 C ATOM 214 O THR A 16 -12.309 17.963 -8.137 1.00 4.31 O ATOM 215 CB THR A 16 -10.602 17.553 -10.585 1.00 11.14 C ATOM 216 OG1 THR A 16 -11.777 18.322 -10.867 1.00 61.55 O ATOM 217 CG2 THR A 16 -10.143 16.837 -11.846 1.00 4.23 C ATOM 0 H THR A 16 -12.840 16.043 -10.040 1.00 34.13 H new ATOM 0 HA THR A 16 -9.994 15.955 -9.266 1.00 61.15 H new ATOM 0 HB THR A 16 -9.804 18.217 -10.254 1.00 11.14 H new ATOM 0 HG1 THR A 16 -12.261 18.497 -10.033 1.00 61.55 H new ATOM 0 HG21 THR A 16 -9.945 17.569 -12.629 1.00 4.23 H new ATOM 0 HG22 THR A 16 -9.232 16.276 -11.635 1.00 4.23 H new ATOM 0 HG23 THR A 16 -10.922 16.151 -12.179 1.00 4.23 H new ATOM 225 N PHE A 17 -10.414 17.221 -7.177 1.00 44.34 N ATOM 226 CA PHE A 17 -10.657 17.904 -5.912 1.00 52.43 C ATOM 227 C PHE A 17 -9.655 19.036 -5.704 1.00 14.43 C ATOM 228 O PHE A 17 -8.489 18.925 -6.082 1.00 12.00 O ATOM 229 CB PHE A 17 -10.574 16.914 -4.749 1.00 60.21 C ATOM 230 CG PHE A 17 -11.548 15.776 -4.860 1.00 62.21 C ATOM 231 CD1 PHE A 17 -11.116 14.510 -5.222 1.00 52.03 C ATOM 232 CD2 PHE A 17 -12.895 15.972 -4.603 1.00 31.03 C ATOM 233 CE1 PHE A 17 -12.010 13.460 -5.325 1.00 43.41 C ATOM 234 CE2 PHE A 17 -13.793 14.926 -4.703 1.00 51.24 C ATOM 235 CZ PHE A 17 -13.350 13.669 -5.066 1.00 51.22 C ATOM 0 H PHE A 17 -9.548 16.683 -7.206 1.00 44.34 H new ATOM 0 HA PHE A 17 -11.659 18.331 -5.945 1.00 52.43 H new ATOM 0 HB2 PHE A 17 -9.562 16.512 -4.696 1.00 60.21 H new ATOM 0 HB3 PHE A 17 -10.755 17.447 -3.815 1.00 60.21 H new ATOM 0 HD1 PHE A 17 -10.069 14.341 -5.426 1.00 52.03 H new ATOM 0 HD2 PHE A 17 -13.248 16.953 -4.321 1.00 31.03 H new ATOM 0 HE1 PHE A 17 -11.661 12.478 -5.608 1.00 43.41 H new ATOM 0 HE2 PHE A 17 -14.840 15.091 -4.497 1.00 51.24 H new ATOM 0 HZ PHE A 17 -14.051 12.851 -5.147 1.00 51.22 H new ATOM 245 N ARG A 18 -10.120 20.125 -5.100 1.00 4.51 N ATOM 246 CA ARG A 18 -9.266 21.279 -4.842 1.00 61.13 C ATOM 247 C ARG A 18 -8.756 21.267 -3.404 1.00 42.43 C ATOM 248 O ARG A 18 -9.538 21.159 -2.459 1.00 45.40 O ATOM 249 CB ARG A 18 -10.030 22.576 -5.113 1.00 42.35 C ATOM 250 CG ARG A 18 -9.925 23.055 -6.552 1.00 52.31 C ATOM 251 CD ARG A 18 -11.215 23.715 -7.015 1.00 21.12 C ATOM 252 NE ARG A 18 -10.970 24.998 -7.669 1.00 22.44 N ATOM 253 CZ ARG A 18 -11.932 25.857 -7.985 1.00 11.01 C ATOM 254 NH1 ARG A 18 -13.197 25.572 -7.708 1.00 51.14 N ATOM 255 NH2 ARG A 18 -11.630 27.004 -8.579 1.00 4.54 N ATOM 0 H ARG A 18 -11.083 20.233 -4.780 1.00 4.51 H new ATOM 0 HA ARG A 18 -8.409 21.223 -5.513 1.00 61.13 H new ATOM 0 HB2 ARG A 18 -11.081 22.428 -4.864 1.00 42.35 H new ATOM 0 HB3 ARG A 18 -9.652 23.355 -4.451 1.00 42.35 H new ATOM 0 HG2 ARG A 18 -9.101 23.762 -6.642 1.00 52.31 H new ATOM 0 HG3 ARG A 18 -9.693 22.211 -7.202 1.00 52.31 H new ATOM 0 HD2 ARG A 18 -11.735 23.050 -7.705 1.00 21.12 H new ATOM 0 HD3 ARG A 18 -11.873 23.864 -6.159 1.00 21.12 H new ATOM 0 HE ARG A 18 -10.007 25.248 -7.895 1.00 22.44 H new ATOM 0 HH11 ARG A 18 -13.433 24.691 -7.251 1.00 51.14 H new ATOM 0 HH12 ARG A 18 -13.934 26.234 -7.952 1.00 51.14 H new ATOM 0 HH21 ARG A 18 -10.658 27.227 -8.793 1.00 4.54 H new ATOM 0 HH22 ARG A 18 -12.370 27.663 -8.821 1.00 4.54 H new ATOM 269 N ILE A 19 -7.441 21.379 -3.247 1.00 71.25 N ATOM 270 CA ILE A 19 -6.827 21.382 -1.925 1.00 75.23 C ATOM 271 C ILE A 19 -6.398 22.788 -1.522 1.00 4.10 C ATOM 272 O ILE A 19 -5.747 23.494 -2.293 1.00 2.21 O ATOM 273 CB ILE A 19 -5.604 20.448 -1.870 1.00 73.43 C ATOM 274 CG1 ILE A 19 -5.940 19.094 -2.500 1.00 12.12 C ATOM 275 CG2 ILE A 19 -5.139 20.268 -0.433 1.00 1.51 C ATOM 276 CD1 ILE A 19 -7.104 18.392 -1.837 1.00 75.31 C ATOM 0 H ILE A 19 -6.780 21.469 -4.019 1.00 71.25 H new ATOM 0 HA ILE A 19 -7.581 21.020 -1.226 1.00 75.23 H new ATOM 0 HB ILE A 19 -4.793 20.902 -2.440 1.00 73.43 H new ATOM 0 HG12 ILE A 19 -6.168 19.240 -3.556 1.00 12.12 H new ATOM 0 HG13 ILE A 19 -5.062 18.451 -2.449 1.00 12.12 H new ATOM 0 HG21 ILE A 19 -4.274 19.605 -0.411 1.00 1.51 H new ATOM 0 HG22 ILE A 19 -4.865 21.237 -0.015 1.00 1.51 H new ATOM 0 HG23 ILE A 19 -5.945 19.833 0.158 1.00 1.51 H new ATOM 0 HD11 ILE A 19 -7.286 17.439 -2.335 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -6.871 18.214 -0.787 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -7.995 19.016 -1.911 1.00 75.31 H new ATOM 288 N ILE A 20 -6.764 23.188 -0.309 1.00 31.21 N ATOM 289 CA ILE A 20 -6.414 24.509 0.198 1.00 63.30 C ATOM 290 C ILE A 20 -5.349 24.415 1.286 1.00 14.41 C ATOM 291 O ILE A 20 -5.639 24.036 2.422 1.00 45.41 O ATOM 292 CB ILE A 20 -7.646 25.240 0.762 1.00 1.32 C ATOM 293 CG1 ILE A 20 -8.550 25.716 -0.377 1.00 62.21 C ATOM 294 CG2 ILE A 20 -7.214 26.414 1.628 1.00 13.24 C ATOM 295 CD1 ILE A 20 -9.319 24.598 -1.045 1.00 31.40 C ATOM 0 H ILE A 20 -7.303 22.616 0.341 1.00 31.21 H new ATOM 0 HA ILE A 20 -6.020 25.077 -0.645 1.00 63.30 H new ATOM 0 HB ILE A 20 -8.211 24.544 1.382 1.00 1.32 H new ATOM 0 HG12 ILE A 20 -9.256 26.450 0.013 1.00 62.21 H new ATOM 0 HG13 ILE A 20 -7.942 26.225 -1.125 1.00 62.21 H new ATOM 0 HG21 ILE A 20 -8.096 26.921 2.020 1.00 13.24 H new ATOM 0 HG22 ILE A 20 -6.606 26.051 2.457 1.00 13.24 H new ATOM 0 HG23 ILE A 20 -6.630 27.113 1.029 1.00 13.24 H new ATOM 0 HD11 ILE A 20 -9.939 25.008 -1.842 1.00 31.40 H new ATOM 0 HD12 ILE A 20 -8.619 23.875 -1.465 1.00 31.40 H new ATOM 0 HD13 ILE A 20 -9.954 24.103 -0.310 1.00 31.40 H new ATOM 307 N LEU A 21 -4.118 24.765 0.932 1.00 4.05 N ATOM 308 CA LEU A 21 -3.009 24.723 1.879 1.00 23.04 C ATOM 309 C LEU A 21 -2.729 26.109 2.452 1.00 31.33 C ATOM 310 O LEU A 21 -2.507 27.067 1.711 1.00 74.53 O ATOM 311 CB LEU A 21 -1.752 24.177 1.200 1.00 71.54 C ATOM 312 CG LEU A 21 -1.922 22.868 0.428 1.00 61.53 C ATOM 313 CD1 LEU A 21 -2.847 21.922 1.178 1.00 72.25 C ATOM 314 CD2 LEU A 21 -2.454 23.139 -0.972 1.00 21.10 C ATOM 0 H LEU A 21 -3.862 25.081 -0.003 1.00 4.05 H new ATOM 0 HA LEU A 21 -3.289 24.061 2.698 1.00 23.04 H new ATOM 0 HB2 LEU A 21 -1.376 24.935 0.513 1.00 71.54 H new ATOM 0 HB3 LEU A 21 -0.986 24.030 1.962 1.00 71.54 H new ATOM 0 HG LEU A 21 -0.945 22.393 0.338 1.00 61.53 H new ATOM 0 HD11 LEU A 21 -2.956 20.996 0.613 1.00 72.25 H new ATOM 0 HD12 LEU A 21 -2.425 21.702 2.158 1.00 72.25 H new ATOM 0 HD13 LEU A 21 -3.824 22.389 1.300 1.00 72.25 H new ATOM 0 HD21 LEU A 21 -2.569 22.196 -1.507 1.00 21.10 H new ATOM 0 HD22 LEU A 21 -3.421 23.637 -0.904 1.00 21.10 H new ATOM 0 HD23 LEU A 21 -1.754 23.778 -1.510 1.00 21.10 H new ATOM 326 N THR A 22 -2.739 26.208 3.778 1.00 3.41 N ATOM 327 CA THR A 22 -2.485 27.476 4.451 1.00 52.10 C ATOM 328 C THR A 22 -1.022 27.599 4.859 1.00 23.45 C ATOM 329 O THR A 22 -0.523 28.699 5.095 1.00 12.22 O ATOM 330 CB THR A 22 -3.370 27.635 5.701 1.00 15.24 C ATOM 331 OG1 THR A 22 -3.801 26.350 6.164 1.00 41.13 O ATOM 332 CG2 THR A 22 -4.583 28.503 5.399 1.00 3.24 C ATOM 0 H THR A 22 -2.920 25.425 4.407 1.00 3.41 H new ATOM 0 HA THR A 22 -2.728 28.265 3.740 1.00 52.10 H new ATOM 0 HB THR A 22 -2.779 28.121 6.477 1.00 15.24 H new ATOM 0 HG1 THR A 22 -4.362 26.460 6.960 1.00 41.13 H new ATOM 0 HG21 THR A 22 -5.193 28.601 6.297 1.00 3.24 H new ATOM 0 HG22 THR A 22 -4.253 29.490 5.075 1.00 3.24 H new ATOM 0 HG23 THR A 22 -5.173 28.041 4.608 1.00 3.24 H new ATOM 340 N SER A 23 -0.338 26.462 4.941 1.00 64.11 N ATOM 341 CA SER A 23 1.069 26.442 5.324 1.00 2.22 C ATOM 342 C SER A 23 1.968 26.463 4.092 1.00 44.32 C ATOM 343 O SER A 23 3.162 26.748 4.187 1.00 72.34 O ATOM 344 CB SER A 23 1.372 25.203 6.169 1.00 1.43 C ATOM 345 OG SER A 23 2.603 25.344 6.857 1.00 63.53 O ATOM 0 H SER A 23 -0.735 25.543 4.747 1.00 64.11 H new ATOM 0 HA SER A 23 1.271 27.335 5.915 1.00 2.22 H new ATOM 0 HB2 SER A 23 0.567 25.042 6.886 1.00 1.43 H new ATOM 0 HB3 SER A 23 1.409 24.322 5.528 1.00 1.43 H new ATOM 0 HG SER A 23 3.184 25.961 6.365 1.00 63.53 H new ATOM 351 N GLU A 24 1.385 26.160 2.936 1.00 23.02 N ATOM 352 CA GLU A 24 2.134 26.143 1.685 1.00 52.21 C ATOM 353 C GLU A 24 2.458 27.562 1.226 1.00 71.12 C ATOM 354 O GLU A 24 1.560 28.374 1.004 1.00 52.23 O ATOM 355 CB GLU A 24 1.340 25.413 0.600 1.00 52.13 C ATOM 356 CG GLU A 24 2.156 25.096 -0.642 1.00 71.31 C ATOM 357 CD GLU A 24 1.642 23.876 -1.382 1.00 50.00 C ATOM 358 OE1 GLU A 24 2.468 23.150 -1.973 1.00 63.32 O ATOM 359 OE2 GLU A 24 0.414 23.648 -1.370 1.00 64.13 O ATOM 0 H GLU A 24 0.397 25.923 2.840 1.00 23.02 H new ATOM 0 HA GLU A 24 3.071 25.613 1.859 1.00 52.21 H new ATOM 0 HB2 GLU A 24 0.946 24.484 1.013 1.00 52.13 H new ATOM 0 HB3 GLU A 24 0.483 26.024 0.315 1.00 52.13 H new ATOM 0 HG2 GLU A 24 2.140 25.956 -1.312 1.00 71.31 H new ATOM 0 HG3 GLU A 24 3.195 24.933 -0.357 1.00 71.31 H new ATOM 366 N ARG A 25 3.747 27.852 1.086 1.00 3.34 N ATOM 367 CA ARG A 25 4.191 29.173 0.656 1.00 72.33 C ATOM 368 C ARG A 25 3.701 29.477 -0.757 1.00 70.21 C ATOM 369 O ARG A 25 3.701 30.629 -1.190 1.00 52.02 O ATOM 370 CB ARG A 25 5.717 29.264 0.709 1.00 70.25 C ATOM 371 CG ARG A 25 6.418 28.299 -0.234 1.00 33.55 C ATOM 372 CD ARG A 25 6.707 28.945 -1.579 1.00 73.44 C ATOM 373 NE ARG A 25 7.850 28.329 -2.248 1.00 31.11 N ATOM 374 CZ ARG A 25 7.787 27.170 -2.894 1.00 53.23 C ATOM 375 NH1 ARG A 25 6.641 26.505 -2.959 1.00 45.35 N ATOM 376 NH2 ARG A 25 8.871 26.675 -3.478 1.00 35.53 N ATOM 0 H ARG A 25 4.503 27.190 1.264 1.00 3.34 H new ATOM 0 HA ARG A 25 3.766 29.911 1.336 1.00 72.33 H new ATOM 0 HB2 ARG A 25 6.020 30.282 0.465 1.00 70.25 H new ATOM 0 HB3 ARG A 25 6.049 29.068 1.729 1.00 70.25 H new ATOM 0 HG2 ARG A 25 7.351 27.962 0.217 1.00 33.55 H new ATOM 0 HG3 ARG A 25 5.797 27.415 -0.380 1.00 33.55 H new ATOM 0 HD2 ARG A 25 5.827 28.864 -2.217 1.00 73.44 H new ATOM 0 HD3 ARG A 25 6.900 30.008 -1.436 1.00 73.44 H new ATOM 0 HE ARG A 25 8.746 28.816 -2.217 1.00 31.11 H new ATOM 0 HH11 ARG A 25 5.806 26.883 -2.512 1.00 45.35 H new ATOM 0 HH12 ARG A 25 6.595 25.615 -3.456 1.00 45.35 H new ATOM 0 HH21 ARG A 25 9.753 27.185 -3.431 1.00 35.53 H new ATOM 0 HH22 ARG A 25 8.822 25.785 -3.974 1.00 35.53 H new ATOM 390 N SER A 26 3.285 28.435 -1.471 1.00 10.44 N ATOM 391 CA SER A 26 2.797 28.590 -2.836 1.00 12.21 C ATOM 392 C SER A 26 1.301 28.889 -2.847 1.00 74.43 C ATOM 393 O SER A 26 0.669 28.908 -3.904 1.00 24.25 O ATOM 394 CB SER A 26 3.082 27.326 -3.649 1.00 23.14 C ATOM 395 OG SER A 26 3.227 27.627 -5.026 1.00 24.22 O ATOM 0 H SER A 26 3.276 27.475 -1.126 1.00 10.44 H new ATOM 0 HA SER A 26 3.322 29.431 -3.290 1.00 12.21 H new ATOM 0 HB2 SER A 26 3.990 26.850 -3.280 1.00 23.14 H new ATOM 0 HB3 SER A 26 2.270 26.612 -3.513 1.00 23.14 H new ATOM 0 HG SER A 26 2.493 27.217 -5.530 1.00 24.22 H new ATOM 401 N GLN A 27 0.741 29.121 -1.664 1.00 71.43 N ATOM 402 CA GLN A 27 -0.681 29.417 -1.538 1.00 11.35 C ATOM 403 C GLN A 27 -1.527 28.219 -1.957 1.00 4.31 C ATOM 404 O GLN A 27 -1.066 27.319 -2.659 1.00 53.14 O ATOM 405 CB GLN A 27 -1.047 30.637 -2.386 1.00 23.43 C ATOM 406 CG GLN A 27 -1.311 31.890 -1.567 1.00 44.11 C ATOM 407 CD GLN A 27 -0.292 32.982 -1.827 1.00 40.34 C ATOM 408 OE1 GLN A 27 0.576 33.249 -0.995 1.00 55.22 O ATOM 409 NE2 GLN A 27 -0.392 33.621 -2.987 1.00 62.03 N ATOM 0 H GLN A 27 1.250 29.110 -0.780 1.00 71.43 H new ATOM 0 HA GLN A 27 -0.889 29.636 -0.491 1.00 11.35 H new ATOM 0 HB2 GLN A 27 -0.238 30.836 -3.089 1.00 23.43 H new ATOM 0 HB3 GLN A 27 -1.933 30.406 -2.977 1.00 23.43 H new ATOM 0 HG2 GLN A 27 -2.308 32.266 -1.797 1.00 44.11 H new ATOM 0 HG3 GLN A 27 -1.303 31.635 -0.507 1.00 44.11 H new ATOM 0 HE21 GLN A 27 -1.127 33.367 -3.647 1.00 62.03 H new ATOM 0 HE22 GLN A 27 0.266 34.365 -3.218 1.00 62.03 H new ATOM 418 N PRO A 28 -2.794 28.206 -1.517 1.00 24.42 N ATOM 419 CA PRO A 28 -3.730 27.124 -1.835 1.00 33.44 C ATOM 420 C PRO A 28 -4.137 27.122 -3.304 1.00 54.21 C ATOM 421 O PRO A 28 -4.986 27.909 -3.724 1.00 44.54 O ATOM 422 CB PRO A 28 -4.938 27.428 -0.945 1.00 75.23 C ATOM 423 CG PRO A 28 -4.872 28.897 -0.705 1.00 61.42 C ATOM 424 CD PRO A 28 -3.409 29.245 -0.676 1.00 15.54 C ATOM 0 HA PRO A 28 -3.292 26.141 -1.661 1.00 33.44 H new ATOM 0 HB2 PRO A 28 -5.871 27.148 -1.435 1.00 75.23 H new ATOM 0 HB3 PRO A 28 -4.890 26.871 -0.009 1.00 75.23 H new ATOM 0 HG2 PRO A 28 -5.388 29.445 -1.493 1.00 61.42 H new ATOM 0 HG3 PRO A 28 -5.355 29.161 0.236 1.00 61.42 H new ATOM 0 HD2 PRO A 28 -3.226 30.244 -1.073 1.00 15.54 H new ATOM 0 HD3 PRO A 28 -3.012 29.227 0.339 1.00 15.54 H new ATOM 432 N PHE A 29 -3.528 26.233 -4.081 1.00 40.13 N ATOM 433 CA PHE A 29 -3.827 26.130 -5.505 1.00 30.32 C ATOM 434 C PHE A 29 -3.438 24.756 -6.044 1.00 42.40 C ATOM 435 O PHE A 29 -3.235 24.584 -7.246 1.00 50.41 O ATOM 436 CB PHE A 29 -3.091 27.223 -6.283 1.00 34.22 C ATOM 437 CG PHE A 29 -1.671 26.868 -6.617 1.00 61.24 C ATOM 438 CD1 PHE A 29 -1.182 27.047 -7.901 1.00 51.24 C ATOM 439 CD2 PHE A 29 -0.825 26.354 -5.648 1.00 45.01 C ATOM 440 CE1 PHE A 29 0.125 26.722 -8.213 1.00 32.13 C ATOM 441 CE2 PHE A 29 0.483 26.027 -5.953 1.00 42.34 C ATOM 442 CZ PHE A 29 0.958 26.210 -7.237 1.00 41.34 C ATOM 0 H PHE A 29 -2.824 25.573 -3.749 1.00 40.13 H new ATOM 0 HA PHE A 29 -4.901 26.262 -5.636 1.00 30.32 H new ATOM 0 HB2 PHE A 29 -3.633 27.428 -7.206 1.00 34.22 H new ATOM 0 HB3 PHE A 29 -3.099 28.143 -5.698 1.00 34.22 H new ATOM 0 HD1 PHE A 29 -1.830 27.445 -8.668 1.00 51.24 H new ATOM 0 HD2 PHE A 29 -1.192 26.207 -4.643 1.00 45.01 H new ATOM 0 HE1 PHE A 29 0.494 26.868 -9.217 1.00 32.13 H new ATOM 0 HE2 PHE A 29 1.133 25.629 -5.188 1.00 42.34 H new ATOM 0 HZ PHE A 29 1.979 25.953 -7.478 1.00 41.34 H new ATOM 452 N ARG A 30 -3.335 23.782 -5.146 1.00 1.20 N ATOM 453 CA ARG A 30 -2.968 22.424 -5.530 1.00 53.43 C ATOM 454 C ARG A 30 -4.211 21.570 -5.759 1.00 34.44 C ATOM 455 O ARG A 30 -4.984 21.319 -4.833 1.00 61.14 O ATOM 456 CB ARG A 30 -2.089 21.787 -4.453 1.00 65.24 C ATOM 457 CG ARG A 30 -0.605 22.064 -4.636 1.00 13.55 C ATOM 458 CD ARG A 30 -0.081 21.466 -5.932 1.00 34.25 C ATOM 459 NE ARG A 30 1.378 21.442 -5.973 1.00 2.12 N ATOM 460 CZ ARG A 30 2.080 21.350 -7.097 1.00 2.02 C ATOM 461 NH1 ARG A 30 1.459 21.274 -8.266 1.00 22.22 N ATOM 462 NH2 ARG A 30 3.406 21.335 -7.053 1.00 23.41 N ATOM 0 H ARG A 30 -3.500 23.908 -4.147 1.00 1.20 H new ATOM 0 HA ARG A 30 -2.407 22.476 -6.463 1.00 53.43 H new ATOM 0 HB2 ARG A 30 -2.401 22.156 -3.476 1.00 65.24 H new ATOM 0 HB3 ARG A 30 -2.252 20.709 -4.454 1.00 65.24 H new ATOM 0 HG2 ARG A 30 -0.432 23.140 -4.635 1.00 13.55 H new ATOM 0 HG3 ARG A 30 -0.050 21.651 -3.793 1.00 13.55 H new ATOM 0 HD2 ARG A 30 -0.463 20.451 -6.044 1.00 34.25 H new ATOM 0 HD3 ARG A 30 -0.458 22.044 -6.776 1.00 34.25 H new ATOM 0 HE ARG A 30 1.886 21.499 -5.090 1.00 2.12 H new ATOM 0 HH11 ARG A 30 0.440 21.286 -8.304 1.00 22.22 H new ATOM 0 HH12 ARG A 30 2.001 21.203 -9.128 1.00 22.22 H new ATOM 0 HH21 ARG A 30 3.887 21.394 -6.156 1.00 23.41 H new ATOM 0 HH22 ARG A 30 3.944 21.264 -7.917 1.00 23.41 H new ATOM 476 N VAL A 31 -4.398 21.125 -6.997 1.00 55.23 N ATOM 477 CA VAL A 31 -5.547 20.298 -7.348 1.00 10.14 C ATOM 478 C VAL A 31 -5.123 18.861 -7.632 1.00 15.51 C ATOM 479 O VAL A 31 -4.119 18.621 -8.302 1.00 4.12 O ATOM 480 CB VAL A 31 -6.287 20.857 -8.578 1.00 25.32 C ATOM 481 CG1 VAL A 31 -5.339 20.976 -9.762 1.00 11.32 C ATOM 482 CG2 VAL A 31 -7.480 19.979 -8.926 1.00 5.34 C ATOM 0 H VAL A 31 -3.768 21.323 -7.775 1.00 55.23 H new ATOM 0 HA VAL A 31 -6.221 20.312 -6.491 1.00 10.14 H new ATOM 0 HB VAL A 31 -6.656 21.854 -8.337 1.00 25.32 H new ATOM 0 HG11 VAL A 31 -5.879 21.372 -10.622 1.00 11.32 H new ATOM 0 HG12 VAL A 31 -4.520 21.648 -9.506 1.00 11.32 H new ATOM 0 HG13 VAL A 31 -4.938 19.993 -10.007 1.00 11.32 H new ATOM 0 HG21 VAL A 31 -7.991 20.388 -9.797 1.00 5.34 H new ATOM 0 HG22 VAL A 31 -7.136 18.969 -9.149 1.00 5.34 H new ATOM 0 HG23 VAL A 31 -8.169 19.950 -8.082 1.00 5.34 H new ATOM 492 N ILE A 32 -5.896 17.910 -7.119 1.00 13.21 N ATOM 493 CA ILE A 32 -5.602 16.497 -7.319 1.00 61.32 C ATOM 494 C ILE A 32 -6.633 15.845 -8.234 1.00 32.42 C ATOM 495 O ILE A 32 -7.832 15.880 -7.959 1.00 35.13 O ATOM 496 CB ILE A 32 -5.564 15.735 -5.981 1.00 62.55 C ATOM 497 CG1 ILE A 32 -6.788 16.087 -5.134 1.00 22.03 C ATOM 498 CG2 ILE A 32 -4.281 16.052 -5.227 1.00 72.14 C ATOM 499 CD1 ILE A 32 -6.826 15.372 -3.801 1.00 50.02 C ATOM 0 H ILE A 32 -6.731 18.093 -6.562 1.00 13.21 H new ATOM 0 HA ILE A 32 -4.619 16.442 -7.787 1.00 61.32 H new ATOM 0 HB ILE A 32 -5.585 14.665 -6.188 1.00 62.55 H new ATOM 0 HG12 ILE A 32 -6.803 17.163 -4.961 1.00 22.03 H new ATOM 0 HG13 ILE A 32 -7.690 15.842 -5.694 1.00 22.03 H new ATOM 0 HG21 ILE A 32 -4.269 15.506 -4.284 1.00 72.14 H new ATOM 0 HG22 ILE A 32 -3.422 15.755 -5.829 1.00 72.14 H new ATOM 0 HG23 ILE A 32 -4.231 17.122 -5.027 1.00 72.14 H new ATOM 0 HD11 ILE A 32 -7.721 15.669 -3.254 1.00 50.02 H new ATOM 0 HD12 ILE A 32 -6.843 14.295 -3.966 1.00 50.02 H new ATOM 0 HD13 ILE A 32 -5.942 15.636 -3.221 1.00 50.02 H new ATOM 511 N SER A 33 -6.158 15.248 -9.322 1.00 43.13 N ATOM 512 CA SER A 33 -7.039 14.589 -10.279 1.00 65.13 C ATOM 513 C SER A 33 -6.803 13.082 -10.285 1.00 72.55 C ATOM 514 O SER A 33 -5.690 12.617 -10.533 1.00 3.33 O ATOM 515 CB SER A 33 -6.818 15.157 -11.683 1.00 22.33 C ATOM 516 OG SER A 33 -6.484 16.533 -11.629 1.00 64.24 O ATOM 0 H SER A 33 -5.168 15.207 -9.563 1.00 43.13 H new ATOM 0 HA SER A 33 -8.069 14.777 -9.977 1.00 65.13 H new ATOM 0 HB2 SER A 33 -6.021 14.605 -12.181 1.00 22.33 H new ATOM 0 HB3 SER A 33 -7.720 15.022 -12.280 1.00 22.33 H new ATOM 0 HG SER A 33 -6.346 16.872 -12.538 1.00 64.24 H new ATOM 522 N ILE A 34 -7.859 12.323 -10.012 1.00 12.24 N ATOM 523 CA ILE A 34 -7.769 10.869 -9.986 1.00 63.44 C ATOM 524 C ILE A 34 -9.076 10.228 -10.442 1.00 4.42 C ATOM 525 O ILE A 34 -10.146 10.822 -10.315 1.00 34.41 O ATOM 526 CB ILE A 34 -7.420 10.351 -8.579 1.00 25.53 C ATOM 527 CG1 ILE A 34 -8.584 10.597 -7.617 1.00 72.15 C ATOM 528 CG2 ILE A 34 -6.153 11.020 -8.067 1.00 63.11 C ATOM 529 CD1 ILE A 34 -8.316 10.117 -6.208 1.00 75.23 C ATOM 0 H ILE A 34 -8.787 12.692 -9.806 1.00 12.24 H new ATOM 0 HA ILE A 34 -6.971 10.591 -10.675 1.00 63.44 H new ATOM 0 HB ILE A 34 -7.243 9.277 -8.638 1.00 25.53 H new ATOM 0 HG12 ILE A 34 -8.805 11.664 -7.593 1.00 72.15 H new ATOM 0 HG13 ILE A 34 -9.473 10.096 -8.000 1.00 72.15 H new ATOM 0 HG21 ILE A 34 -5.920 10.643 -7.071 1.00 63.11 H new ATOM 0 HG22 ILE A 34 -5.326 10.798 -8.742 1.00 63.11 H new ATOM 0 HG23 ILE A 34 -6.304 12.098 -8.021 1.00 63.11 H new ATOM 0 HD11 ILE A 34 -9.184 10.324 -5.582 1.00 75.23 H new ATOM 0 HD12 ILE A 34 -8.124 9.044 -6.219 1.00 75.23 H new ATOM 0 HD13 ILE A 34 -7.446 10.637 -5.806 1.00 75.23 H new ATOM 541 N ALA A 35 -8.980 9.013 -10.971 1.00 40.22 N ATOM 542 CA ALA A 35 -10.155 8.290 -11.442 1.00 1.31 C ATOM 543 C ALA A 35 -11.180 8.123 -10.326 1.00 13.23 C ATOM 544 O ALA A 35 -10.822 7.998 -9.155 1.00 64.44 O ATOM 545 CB ALA A 35 -9.752 6.933 -11.998 1.00 64.13 C ATOM 0 H ALA A 35 -8.101 8.509 -11.084 1.00 40.22 H new ATOM 0 HA ALA A 35 -10.615 8.874 -12.239 1.00 1.31 H new ATOM 0 HB1 ALA A 35 -10.639 6.404 -12.346 1.00 64.13 H new ATOM 0 HB2 ALA A 35 -9.062 7.071 -12.831 1.00 64.13 H new ATOM 0 HB3 ALA A 35 -9.265 6.350 -11.216 1.00 64.13 H new ATOM 551 N GLU A 36 -12.457 8.123 -10.696 1.00 50.42 N ATOM 552 CA GLU A 36 -13.534 7.973 -9.724 1.00 42.23 C ATOM 553 C GLU A 36 -13.430 6.634 -8.999 1.00 44.45 C ATOM 554 O GLU A 36 -13.948 6.473 -7.895 1.00 53.44 O ATOM 555 CB GLU A 36 -14.894 8.087 -10.416 1.00 31.05 C ATOM 556 CG GLU A 36 -16.068 8.092 -9.451 1.00 73.52 C ATOM 557 CD GLU A 36 -17.316 8.706 -10.055 1.00 35.33 C ATOM 558 OE1 GLU A 36 -17.193 9.732 -10.755 1.00 44.31 O ATOM 559 OE2 GLU A 36 -18.416 8.161 -9.827 1.00 35.53 O ATOM 0 H GLU A 36 -12.771 8.225 -11.661 1.00 50.42 H new ATOM 0 HA GLU A 36 -13.440 8.772 -8.989 1.00 42.23 H new ATOM 0 HB2 GLU A 36 -14.916 9.003 -11.007 1.00 31.05 H new ATOM 0 HB3 GLU A 36 -15.009 7.256 -11.112 1.00 31.05 H new ATOM 0 HG2 GLU A 36 -16.284 7.069 -9.142 1.00 73.52 H new ATOM 0 HG3 GLU A 36 -15.793 8.645 -8.553 1.00 73.52 H new ATOM 566 N GLU A 37 -12.756 5.678 -9.630 1.00 61.51 N ATOM 567 CA GLU A 37 -12.585 4.352 -9.046 1.00 11.52 C ATOM 568 C GLU A 37 -11.114 4.074 -8.749 1.00 14.33 C ATOM 569 O GLU A 37 -10.742 2.955 -8.396 1.00 53.44 O ATOM 570 CB GLU A 37 -13.138 3.280 -9.987 1.00 52.52 C ATOM 571 CG GLU A 37 -14.234 2.431 -9.365 1.00 63.23 C ATOM 572 CD GLU A 37 -13.819 0.983 -9.188 1.00 73.02 C ATOM 573 OE1 GLU A 37 -13.920 0.214 -10.167 1.00 62.21 O ATOM 574 OE2 GLU A 37 -13.395 0.619 -8.072 1.00 31.13 O ATOM 0 H GLU A 37 -12.320 5.796 -10.544 1.00 61.51 H new ATOM 0 HA GLU A 37 -13.139 4.322 -8.108 1.00 11.52 H new ATOM 0 HB2 GLU A 37 -13.528 3.762 -10.884 1.00 52.52 H new ATOM 0 HB3 GLU A 37 -12.322 2.630 -10.303 1.00 52.52 H new ATOM 0 HG2 GLU A 37 -14.506 2.848 -8.396 1.00 63.23 H new ATOM 0 HG3 GLU A 37 -15.124 2.476 -9.993 1.00 63.23 H new ATOM 581 N ALA A 38 -10.283 5.101 -8.894 1.00 60.23 N ATOM 582 CA ALA A 38 -8.854 4.968 -8.641 1.00 2.24 C ATOM 583 C ALA A 38 -8.542 5.136 -7.157 1.00 63.24 C ATOM 584 O ALA A 38 -9.294 5.757 -6.406 1.00 42.24 O ATOM 585 CB ALA A 38 -8.075 5.984 -9.464 1.00 32.32 C ATOM 0 H ALA A 38 -10.575 6.034 -9.185 1.00 60.23 H new ATOM 0 HA ALA A 38 -8.549 3.965 -8.939 1.00 2.24 H new ATOM 0 HB1 ALA A 38 -7.009 5.873 -9.265 1.00 32.32 H new ATOM 0 HB2 ALA A 38 -8.266 5.816 -10.524 1.00 32.32 H new ATOM 0 HB3 ALA A 38 -8.392 6.991 -9.193 1.00 32.32 H new ATOM 591 N PRO A 39 -7.406 4.569 -6.723 1.00 74.40 N ATOM 592 CA PRO A 39 -6.969 4.642 -5.326 1.00 33.23 C ATOM 593 C PRO A 39 -6.535 6.048 -4.927 1.00 64.01 C ATOM 594 O PRO A 39 -6.192 6.868 -5.780 1.00 24.01 O ATOM 595 CB PRO A 39 -5.780 3.680 -5.275 1.00 64.15 C ATOM 596 CG PRO A 39 -5.262 3.644 -6.672 1.00 51.20 C ATOM 597 CD PRO A 39 -6.462 3.813 -7.563 1.00 21.24 C ATOM 0 HA PRO A 39 -7.771 4.386 -4.634 1.00 33.23 H new ATOM 0 HB2 PRO A 39 -5.018 4.029 -4.579 1.00 64.15 H new ATOM 0 HB3 PRO A 39 -6.087 2.689 -4.941 1.00 64.15 H new ATOM 0 HG2 PRO A 39 -4.536 4.440 -6.840 1.00 51.20 H new ATOM 0 HG3 PRO A 39 -4.754 2.701 -6.876 1.00 51.20 H new ATOM 0 HD2 PRO A 39 -6.212 4.355 -8.475 1.00 21.24 H new ATOM 0 HD3 PRO A 39 -6.876 2.851 -7.867 1.00 21.24 H new ATOM 605 N LEU A 40 -6.551 6.321 -3.627 1.00 64.12 N ATOM 606 CA LEU A 40 -6.157 7.629 -3.115 1.00 72.01 C ATOM 607 C LEU A 40 -4.674 7.886 -3.359 1.00 65.50 C ATOM 608 O LEU A 40 -4.233 9.034 -3.424 1.00 23.45 O ATOM 609 CB LEU A 40 -6.464 7.727 -1.620 1.00 32.43 C ATOM 610 CG LEU A 40 -5.419 7.125 -0.679 1.00 74.23 C ATOM 611 CD1 LEU A 40 -4.541 8.217 -0.088 1.00 71.35 C ATOM 612 CD2 LEU A 40 -6.094 6.324 0.425 1.00 10.31 C ATOM 0 H LEU A 40 -6.833 5.654 -2.908 1.00 64.12 H new ATOM 0 HA LEU A 40 -6.730 8.388 -3.648 1.00 72.01 H new ATOM 0 HB2 LEU A 40 -6.591 8.779 -1.364 1.00 32.43 H new ATOM 0 HB3 LEU A 40 -7.419 7.235 -1.433 1.00 32.43 H new ATOM 0 HG LEU A 40 -4.785 6.450 -1.254 1.00 74.23 H new ATOM 0 HD11 LEU A 40 -3.804 7.770 0.579 1.00 71.35 H new ATOM 0 HD12 LEU A 40 -4.030 8.747 -0.891 1.00 71.35 H new ATOM 0 HD13 LEU A 40 -5.160 8.918 0.473 1.00 71.35 H new ATOM 0 HD21 LEU A 40 -5.335 5.903 1.085 1.00 10.31 H new ATOM 0 HD22 LEU A 40 -6.752 6.977 0.998 1.00 10.31 H new ATOM 0 HD23 LEU A 40 -6.679 5.517 -0.016 1.00 10.31 H new ATOM 624 N THR A 41 -3.907 6.808 -3.496 1.00 44.33 N ATOM 625 CA THR A 41 -2.473 6.916 -3.734 1.00 42.14 C ATOM 626 C THR A 41 -2.178 7.848 -4.905 1.00 33.53 C ATOM 627 O THR A 41 -1.138 8.504 -4.941 1.00 14.41 O ATOM 628 CB THR A 41 -1.845 5.538 -4.019 1.00 54.40 C ATOM 629 OG1 THR A 41 -2.833 4.511 -3.875 1.00 4.33 O ATOM 630 CG2 THR A 41 -0.683 5.268 -3.076 1.00 30.13 C ATOM 0 H THR A 41 -4.255 5.851 -3.446 1.00 44.33 H new ATOM 0 HA THR A 41 -2.032 7.327 -2.826 1.00 42.14 H new ATOM 0 HB THR A 41 -1.469 5.538 -5.042 1.00 54.40 H new ATOM 0 HG1 THR A 41 -2.427 3.638 -4.059 1.00 4.33 H new ATOM 0 HG21 THR A 41 -0.256 4.290 -3.296 1.00 30.13 H new ATOM 0 HG22 THR A 41 0.080 6.035 -3.209 1.00 30.13 H new ATOM 0 HG23 THR A 41 -1.039 5.285 -2.046 1.00 30.13 H new ATOM 638 N ALA A 42 -3.101 7.900 -5.860 1.00 0.02 N ATOM 639 CA ALA A 42 -2.941 8.754 -7.030 1.00 61.44 C ATOM 640 C ALA A 42 -2.811 10.219 -6.628 1.00 23.31 C ATOM 641 O ALA A 42 -2.045 10.972 -7.229 1.00 74.33 O ATOM 642 CB ALA A 42 -4.113 8.568 -7.983 1.00 43.10 C ATOM 0 H ALA A 42 -3.967 7.361 -5.846 1.00 0.02 H new ATOM 0 HA ALA A 42 -2.022 8.462 -7.539 1.00 61.44 H new ATOM 0 HB1 ALA A 42 -3.981 9.212 -8.853 1.00 43.10 H new ATOM 0 HB2 ALA A 42 -4.158 7.528 -8.305 1.00 43.10 H new ATOM 0 HB3 ALA A 42 -5.041 8.831 -7.475 1.00 43.10 H new ATOM 648 N ALA A 43 -3.564 10.616 -5.607 1.00 44.35 N ATOM 649 CA ALA A 43 -3.531 11.991 -5.124 1.00 40.12 C ATOM 650 C ALA A 43 -2.278 12.252 -4.295 1.00 31.10 C ATOM 651 O ALA A 43 -1.742 13.361 -4.293 1.00 13.03 O ATOM 652 CB ALA A 43 -4.779 12.293 -4.308 1.00 1.31 C ATOM 0 H ALA A 43 -4.204 10.005 -5.099 1.00 44.35 H new ATOM 0 HA ALA A 43 -3.506 12.654 -5.989 1.00 40.12 H new ATOM 0 HB1 ALA A 43 -4.741 13.323 -3.953 1.00 1.31 H new ATOM 0 HB2 ALA A 43 -5.663 12.156 -4.931 1.00 1.31 H new ATOM 0 HB3 ALA A 43 -4.828 11.617 -3.454 1.00 1.31 H new ATOM 658 N LEU A 44 -1.816 11.224 -3.591 1.00 43.43 N ATOM 659 CA LEU A 44 -0.625 11.343 -2.757 1.00 31.34 C ATOM 660 C LEU A 44 0.535 11.941 -3.545 1.00 44.30 C ATOM 661 O LEU A 44 1.376 12.649 -2.990 1.00 62.12 O ATOM 662 CB LEU A 44 -0.228 9.973 -2.203 1.00 61.14 C ATOM 663 CG LEU A 44 0.712 9.983 -0.997 1.00 54.01 C ATOM 664 CD1 LEU A 44 -0.065 9.736 0.287 1.00 53.42 C ATOM 665 CD2 LEU A 44 1.809 8.942 -1.167 1.00 11.41 C ATOM 0 H LEU A 44 -2.248 10.300 -3.581 1.00 43.43 H new ATOM 0 HA LEU A 44 -0.858 12.011 -1.927 1.00 31.34 H new ATOM 0 HB2 LEU A 44 -1.137 9.438 -1.926 1.00 61.14 H new ATOM 0 HB3 LEU A 44 0.246 9.403 -3.003 1.00 61.14 H new ATOM 0 HG LEU A 44 1.178 10.966 -0.932 1.00 54.01 H new ATOM 0 HD11 LEU A 44 0.620 9.747 1.135 1.00 53.42 H new ATOM 0 HD12 LEU A 44 -0.813 10.518 0.416 1.00 53.42 H new ATOM 0 HD13 LEU A 44 -0.559 8.766 0.232 1.00 53.42 H new ATOM 0 HD21 LEU A 44 2.468 8.963 -0.299 1.00 11.41 H new ATOM 0 HD22 LEU A 44 1.361 7.953 -1.258 1.00 11.41 H new ATOM 0 HD23 LEU A 44 2.385 9.163 -2.066 1.00 11.41 H new ATOM 677 N ARG A 45 0.573 11.654 -4.842 1.00 43.11 N ATOM 678 CA ARG A 45 1.630 12.165 -5.707 1.00 71.21 C ATOM 679 C ARG A 45 1.767 13.678 -5.563 1.00 31.32 C ATOM 680 O ARG A 45 2.857 14.192 -5.313 1.00 63.20 O ATOM 681 CB ARG A 45 1.343 11.805 -7.166 1.00 34.21 C ATOM 682 CG ARG A 45 2.547 11.961 -8.080 1.00 73.52 C ATOM 683 CD ARG A 45 2.217 11.560 -9.509 1.00 74.45 C ATOM 684 NE ARG A 45 3.401 11.122 -10.243 1.00 3.02 N ATOM 685 CZ ARG A 45 4.004 9.956 -10.037 1.00 2.42 C ATOM 686 NH1 ARG A 45 3.535 9.116 -9.125 1.00 24.12 N ATOM 687 NH2 ARG A 45 5.078 9.629 -10.744 1.00 40.33 N ATOM 0 H ARG A 45 -0.116 11.071 -5.317 1.00 43.11 H new ATOM 0 HA ARG A 45 2.569 11.702 -5.403 1.00 71.21 H new ATOM 0 HB2 ARG A 45 0.992 10.774 -7.215 1.00 34.21 H new ATOM 0 HB3 ARG A 45 0.534 12.435 -7.534 1.00 34.21 H new ATOM 0 HG2 ARG A 45 2.888 12.996 -8.061 1.00 73.52 H new ATOM 0 HG3 ARG A 45 3.368 11.348 -7.709 1.00 73.52 H new ATOM 0 HD2 ARG A 45 1.480 10.757 -9.499 1.00 74.45 H new ATOM 0 HD3 ARG A 45 1.762 12.405 -10.026 1.00 74.45 H new ATOM 0 HE ARG A 45 3.786 11.745 -10.953 1.00 3.02 H new ATOM 0 HH11 ARG A 45 2.710 9.364 -8.580 1.00 24.12 H new ATOM 0 HH12 ARG A 45 4.000 8.221 -8.969 1.00 24.12 H new ATOM 0 HH21 ARG A 45 5.442 10.273 -11.447 1.00 40.33 H new ATOM 0 HH22 ARG A 45 5.540 8.734 -10.585 1.00 40.33 H new ATOM 701 N PHE A 46 0.653 14.385 -5.722 1.00 44.34 N ATOM 702 CA PHE A 46 0.649 15.839 -5.612 1.00 1.34 C ATOM 703 C PHE A 46 0.465 16.274 -4.160 1.00 72.44 C ATOM 704 O PHE A 46 0.891 17.359 -3.767 1.00 63.22 O ATOM 705 CB PHE A 46 -0.462 16.435 -6.479 1.00 63.10 C ATOM 706 CG PHE A 46 -0.021 16.762 -7.877 1.00 64.51 C ATOM 707 CD1 PHE A 46 0.586 15.800 -8.669 1.00 30.22 C ATOM 708 CD2 PHE A 46 -0.212 18.031 -8.399 1.00 60.43 C ATOM 709 CE1 PHE A 46 0.993 16.097 -9.956 1.00 32.00 C ATOM 710 CE2 PHE A 46 0.192 18.333 -9.686 1.00 4.42 C ATOM 711 CZ PHE A 46 0.797 17.366 -10.465 1.00 34.14 C ATOM 0 H PHE A 46 -0.258 13.975 -5.927 1.00 44.34 H new ATOM 0 HA PHE A 46 1.612 16.207 -5.965 1.00 1.34 H new ATOM 0 HB2 PHE A 46 -1.294 15.732 -6.524 1.00 63.10 H new ATOM 0 HB3 PHE A 46 -0.836 17.341 -6.003 1.00 63.10 H new ATOM 0 HD1 PHE A 46 0.743 14.806 -8.276 1.00 30.22 H new ATOM 0 HD2 PHE A 46 -0.682 18.792 -7.794 1.00 60.43 H new ATOM 0 HE1 PHE A 46 1.464 15.338 -10.563 1.00 32.00 H new ATOM 0 HE2 PHE A 46 0.035 19.325 -10.083 1.00 4.42 H new ATOM 0 HZ PHE A 46 1.116 17.602 -11.470 1.00 34.14 H new ATOM 721 N ALA A 47 -0.174 15.418 -3.370 1.00 34.24 N ATOM 722 CA ALA A 47 -0.414 15.711 -1.962 1.00 55.32 C ATOM 723 C ALA A 47 0.894 15.975 -1.226 1.00 3.55 C ATOM 724 O ALA A 47 0.956 16.822 -0.335 1.00 0.23 O ATOM 725 CB ALA A 47 -1.170 14.566 -1.306 1.00 31.54 C ATOM 0 H ALA A 47 -0.535 14.516 -3.681 1.00 34.24 H new ATOM 0 HA ALA A 47 -1.022 16.614 -1.903 1.00 55.32 H new ATOM 0 HB1 ALA A 47 -1.342 14.798 -0.255 1.00 31.54 H new ATOM 0 HB2 ALA A 47 -2.127 14.427 -1.808 1.00 31.54 H new ATOM 0 HB3 ALA A 47 -0.583 13.651 -1.384 1.00 31.54 H new ATOM 731 N ALA A 48 1.938 15.245 -1.603 1.00 22.32 N ATOM 732 CA ALA A 48 3.246 15.401 -0.979 1.00 0.45 C ATOM 733 C ALA A 48 3.752 16.833 -1.116 1.00 11.42 C ATOM 734 O ALA A 48 4.534 17.306 -0.292 1.00 0.11 O ATOM 735 CB ALA A 48 4.242 14.427 -1.589 1.00 24.21 C ATOM 0 H ALA A 48 1.903 14.539 -2.338 1.00 22.32 H new ATOM 0 HA ALA A 48 3.143 15.180 0.083 1.00 0.45 H new ATOM 0 HB1 ALA A 48 5.214 14.555 -1.113 1.00 24.21 H new ATOM 0 HB2 ALA A 48 3.894 13.406 -1.434 1.00 24.21 H new ATOM 0 HB3 ALA A 48 4.333 14.621 -2.658 1.00 24.21 H new ATOM 741 N GLU A 49 3.300 17.518 -2.162 1.00 65.13 N ATOM 742 CA GLU A 49 3.710 18.896 -2.407 1.00 72.10 C ATOM 743 C GLU A 49 2.907 19.864 -1.542 1.00 24.41 C ATOM 744 O GLU A 49 3.428 20.881 -1.086 1.00 14.03 O ATOM 745 CB GLU A 49 3.533 19.249 -3.885 1.00 53.03 C ATOM 746 CG GLU A 49 4.009 18.160 -4.832 1.00 53.44 C ATOM 747 CD GLU A 49 4.546 18.716 -6.137 1.00 1.11 C ATOM 748 OE1 GLU A 49 5.543 19.467 -6.095 1.00 41.21 O ATOM 749 OE2 GLU A 49 3.970 18.401 -7.199 1.00 22.41 O ATOM 0 H GLU A 49 2.651 17.142 -2.853 1.00 65.13 H new ATOM 0 HA GLU A 49 4.764 18.987 -2.143 1.00 72.10 H new ATOM 0 HB2 GLU A 49 2.479 19.452 -4.078 1.00 53.03 H new ATOM 0 HB3 GLU A 49 4.079 20.168 -4.098 1.00 53.03 H new ATOM 0 HG2 GLU A 49 4.787 17.574 -4.344 1.00 53.44 H new ATOM 0 HG3 GLU A 49 3.183 17.481 -5.043 1.00 53.44 H new ATOM 756 N GLU A 50 1.637 19.538 -1.322 1.00 24.10 N ATOM 757 CA GLU A 50 0.763 20.379 -0.513 1.00 71.02 C ATOM 758 C GLU A 50 1.325 20.552 0.895 1.00 34.01 C ATOM 759 O GLU A 50 1.329 21.655 1.443 1.00 74.41 O ATOM 760 CB GLU A 50 -0.641 19.775 -0.443 1.00 71.34 C ATOM 761 CG GLU A 50 -1.525 20.150 -1.621 1.00 45.22 C ATOM 762 CD GLU A 50 -1.843 18.965 -2.513 1.00 11.55 C ATOM 763 OE1 GLU A 50 -1.225 18.853 -3.592 1.00 22.32 O ATOM 764 OE2 GLU A 50 -2.710 18.152 -2.131 1.00 72.25 O ATOM 0 H GLU A 50 1.191 18.699 -1.692 1.00 24.10 H new ATOM 0 HA GLU A 50 0.706 21.360 -0.986 1.00 71.02 H new ATOM 0 HB2 GLU A 50 -0.558 18.689 -0.393 1.00 71.34 H new ATOM 0 HB3 GLU A 50 -1.122 20.101 0.479 1.00 71.34 H new ATOM 0 HG2 GLU A 50 -2.455 20.580 -1.250 1.00 45.22 H new ATOM 0 HG3 GLU A 50 -1.030 20.921 -2.211 1.00 45.22 H new ATOM 771 N PHE A 51 1.798 19.454 1.476 1.00 52.40 N ATOM 772 CA PHE A 51 2.361 19.483 2.821 1.00 54.11 C ATOM 773 C PHE A 51 3.880 19.611 2.772 1.00 64.41 C ATOM 774 O PHE A 51 4.510 20.037 3.739 1.00 21.41 O ATOM 775 CB PHE A 51 1.968 18.219 3.588 1.00 21.21 C ATOM 776 CG PHE A 51 1.067 18.484 4.760 1.00 0.31 C ATOM 777 CD1 PHE A 51 1.546 19.136 5.885 1.00 14.40 C ATOM 778 CD2 PHE A 51 -0.258 18.081 4.737 1.00 14.21 C ATOM 779 CE1 PHE A 51 0.719 19.383 6.965 1.00 20.42 C ATOM 780 CE2 PHE A 51 -1.090 18.325 5.814 1.00 43.01 C ATOM 781 CZ PHE A 51 -0.600 18.975 6.930 1.00 52.42 C ATOM 0 H PHE A 51 1.803 18.534 1.037 1.00 52.40 H new ATOM 0 HA PHE A 51 1.958 20.354 3.338 1.00 54.11 H new ATOM 0 HB2 PHE A 51 1.470 17.530 2.906 1.00 21.21 H new ATOM 0 HB3 PHE A 51 2.872 17.722 3.940 1.00 21.21 H new ATOM 0 HD1 PHE A 51 2.577 19.455 5.919 1.00 14.40 H new ATOM 0 HD2 PHE A 51 -0.646 17.570 3.868 1.00 14.21 H new ATOM 0 HE1 PHE A 51 1.104 19.894 7.835 1.00 20.42 H new ATOM 0 HE2 PHE A 51 -2.122 18.008 5.783 1.00 43.01 H new ATOM 0 HZ PHE A 51 -1.247 19.164 7.774 1.00 52.42 H new ATOM 791 N GLY A 52 4.463 19.237 1.637 1.00 45.02 N ATOM 792 CA GLY A 52 5.904 19.316 1.482 1.00 62.01 C ATOM 793 C GLY A 52 6.619 18.128 2.094 1.00 61.30 C ATOM 794 O GLY A 52 7.843 18.018 2.006 1.00 15.51 O ATOM 0 H GLY A 52 3.963 18.881 0.822 1.00 45.02 H new ATOM 0 HA2 GLY A 52 6.149 19.377 0.422 1.00 62.01 H new ATOM 0 HA3 GLY A 52 6.267 20.233 1.946 1.00 62.01 H new ATOM 798 N ILE A 53 5.856 17.236 2.717 1.00 55.51 N ATOM 799 CA ILE A 53 6.424 16.051 3.346 1.00 1.14 C ATOM 800 C ILE A 53 5.582 14.815 3.051 1.00 20.54 C ATOM 801 O ILE A 53 4.642 14.866 2.260 1.00 55.05 O ATOM 802 CB ILE A 53 6.543 16.226 4.872 1.00 74.11 C ATOM 803 CG1 ILE A 53 5.153 16.290 5.509 1.00 0.13 C ATOM 804 CG2 ILE A 53 7.341 17.478 5.201 1.00 13.52 C ATOM 805 CD1 ILE A 53 5.185 16.451 7.013 1.00 52.00 C ATOM 0 H ILE A 53 4.842 17.312 2.799 1.00 55.51 H new ATOM 0 HA ILE A 53 7.421 15.917 2.925 1.00 1.14 H new ATOM 0 HB ILE A 53 7.071 15.365 5.282 1.00 74.11 H new ATOM 0 HG12 ILE A 53 4.601 17.123 5.074 1.00 0.13 H new ATOM 0 HG13 ILE A 53 4.606 15.381 5.260 1.00 0.13 H new ATOM 0 HG21 ILE A 53 7.416 17.588 6.283 1.00 13.52 H new ATOM 0 HG22 ILE A 53 8.341 17.395 4.774 1.00 13.52 H new ATOM 0 HG23 ILE A 53 6.839 18.350 4.782 1.00 13.52 H new ATOM 0 HD11 ILE A 53 4.165 16.489 7.397 1.00 52.00 H new ATOM 0 HD12 ILE A 53 5.709 15.605 7.458 1.00 52.00 H new ATOM 0 HD13 ILE A 53 5.704 17.375 7.269 1.00 52.00 H new ATOM 817 N ALA A 54 5.926 13.704 3.696 1.00 54.04 N ATOM 818 CA ALA A 54 5.199 12.455 3.506 1.00 70.24 C ATOM 819 C ALA A 54 5.083 11.682 4.815 1.00 1.43 C ATOM 820 O ALA A 54 5.912 10.823 5.115 1.00 34.14 O ATOM 821 CB ALA A 54 5.882 11.603 2.447 1.00 65.54 C ATOM 0 H ALA A 54 6.703 13.644 4.354 1.00 54.04 H new ATOM 0 HA ALA A 54 4.192 12.698 3.168 1.00 70.24 H new ATOM 0 HB1 ALA A 54 5.328 10.673 2.315 1.00 65.54 H new ATOM 0 HB2 ALA A 54 5.907 12.147 1.503 1.00 65.54 H new ATOM 0 HB3 ALA A 54 6.900 11.377 2.763 1.00 65.54 H new ATOM 827 N SER A 55 4.051 11.995 5.592 1.00 74.21 N ATOM 828 CA SER A 55 3.829 11.333 6.872 1.00 22.22 C ATOM 829 C SER A 55 2.572 11.868 7.550 1.00 12.23 C ATOM 830 O SER A 55 1.537 11.201 7.582 1.00 44.34 O ATOM 831 CB SER A 55 5.039 11.529 7.788 1.00 41.22 C ATOM 832 OG SER A 55 5.718 12.735 7.484 1.00 42.31 O ATOM 0 H SER A 55 3.355 12.703 5.357 1.00 74.21 H new ATOM 0 HA SER A 55 3.693 10.268 6.683 1.00 22.22 H new ATOM 0 HB2 SER A 55 4.713 11.544 8.828 1.00 41.22 H new ATOM 0 HB3 SER A 55 5.722 10.686 7.680 1.00 41.22 H new ATOM 0 HG SER A 55 6.486 12.838 8.084 1.00 42.31 H new ATOM 838 N VAL A 56 2.669 13.078 8.093 1.00 71.21 N ATOM 839 CA VAL A 56 1.540 13.705 8.770 1.00 62.10 C ATOM 840 C VAL A 56 0.435 14.061 7.782 1.00 61.42 C ATOM 841 O VAL A 56 -0.735 14.155 8.151 1.00 14.44 O ATOM 842 CB VAL A 56 1.973 14.979 9.520 1.00 72.12 C ATOM 843 CG1 VAL A 56 3.095 14.668 10.498 1.00 31.44 C ATOM 844 CG2 VAL A 56 2.397 16.058 8.535 1.00 0.02 C ATOM 0 H VAL A 56 3.518 13.643 8.077 1.00 71.21 H new ATOM 0 HA VAL A 56 1.160 12.980 9.489 1.00 62.10 H new ATOM 0 HB VAL A 56 1.121 15.352 10.089 1.00 72.12 H new ATOM 0 HG11 VAL A 56 3.387 15.580 11.018 1.00 31.44 H new ATOM 0 HG12 VAL A 56 2.751 13.931 11.223 1.00 31.44 H new ATOM 0 HG13 VAL A 56 3.952 14.270 9.954 1.00 31.44 H new ATOM 0 HG21 VAL A 56 2.700 16.951 9.082 1.00 0.02 H new ATOM 0 HG22 VAL A 56 3.234 15.697 7.938 1.00 0.02 H new ATOM 0 HG23 VAL A 56 1.561 16.300 7.879 1.00 0.02 H new ATOM 854 N ASP A 57 0.815 14.256 6.524 1.00 75.22 N ATOM 855 CA ASP A 57 -0.145 14.600 5.481 1.00 63.35 C ATOM 856 C ASP A 57 -1.148 13.470 5.272 1.00 55.25 C ATOM 857 O ASP A 57 -2.203 13.667 4.669 1.00 53.55 O ATOM 858 CB ASP A 57 0.582 14.902 4.169 1.00 23.22 C ATOM 859 CG ASP A 57 1.672 13.892 3.865 1.00 14.22 C ATOM 860 OD1 ASP A 57 1.381 12.897 3.168 1.00 44.52 O ATOM 861 OD2 ASP A 57 2.815 14.097 4.324 1.00 53.20 O ATOM 0 H ASP A 57 1.780 14.182 6.202 1.00 75.22 H new ATOM 0 HA ASP A 57 -0.688 15.490 5.800 1.00 63.35 H new ATOM 0 HB2 ASP A 57 -0.139 14.911 3.351 1.00 23.22 H new ATOM 0 HB3 ASP A 57 1.019 15.899 4.220 1.00 23.22 H new ATOM 866 N SER A 58 -0.812 12.286 5.773 1.00 12.11 N ATOM 867 CA SER A 58 -1.682 11.123 5.637 1.00 2.42 C ATOM 868 C SER A 58 -3.033 11.376 6.299 1.00 72.43 C ATOM 869 O SER A 58 -4.053 10.830 5.879 1.00 53.01 O ATOM 870 CB SER A 58 -1.020 9.890 6.256 1.00 55.41 C ATOM 871 OG SER A 58 0.219 9.608 5.630 1.00 41.32 O ATOM 0 H SER A 58 0.056 12.106 6.277 1.00 12.11 H new ATOM 0 HA SER A 58 -1.846 10.944 4.574 1.00 2.42 H new ATOM 0 HB2 SER A 58 -0.863 10.054 7.322 1.00 55.41 H new ATOM 0 HB3 SER A 58 -1.683 9.030 6.160 1.00 55.41 H new ATOM 0 HG SER A 58 0.941 10.060 6.115 1.00 41.32 H new ATOM 877 N MET A 59 -3.031 12.206 7.336 1.00 13.31 N ATOM 878 CA MET A 59 -4.257 12.532 8.056 1.00 51.42 C ATOM 879 C MET A 59 -4.141 13.891 8.740 1.00 23.42 C ATOM 880 O MET A 59 -3.979 13.971 9.957 1.00 20.34 O ATOM 881 CB MET A 59 -4.568 11.451 9.092 1.00 33.12 C ATOM 882 CG MET A 59 -5.958 11.570 9.696 1.00 73.21 C ATOM 883 SD MET A 59 -7.001 10.146 9.324 1.00 0.51 S ATOM 884 CE MET A 59 -6.453 8.989 10.576 1.00 24.11 C ATOM 0 H MET A 59 -2.195 12.665 7.697 1.00 13.31 H new ATOM 0 HA MET A 59 -5.072 12.577 7.334 1.00 51.42 H new ATOM 0 HB2 MET A 59 -4.466 10.472 8.625 1.00 33.12 H new ATOM 0 HB3 MET A 59 -3.828 11.501 9.891 1.00 33.12 H new ATOM 0 HG2 MET A 59 -5.872 11.680 10.777 1.00 73.21 H new ATOM 0 HG3 MET A 59 -6.437 12.474 9.321 1.00 73.21 H new ATOM 0 HE1 MET A 59 -7.007 8.056 10.476 1.00 24.11 H new ATOM 0 HE2 MET A 59 -5.388 8.794 10.450 1.00 24.11 H new ATOM 0 HE3 MET A 59 -6.630 9.412 11.565 1.00 24.11 H new ATOM 894 N ALA A 60 -4.224 14.956 7.950 1.00 61.34 N ATOM 895 CA ALA A 60 -4.130 16.310 8.480 1.00 4.01 C ATOM 896 C ALA A 60 -4.968 17.282 7.657 1.00 62.24 C ATOM 897 O ALA A 60 -4.432 18.105 6.916 1.00 45.32 O ATOM 898 CB ALA A 60 -2.677 16.763 8.517 1.00 74.51 C ATOM 0 H ALA A 60 -4.356 14.907 6.940 1.00 61.34 H new ATOM 0 HA ALA A 60 -4.523 16.303 9.497 1.00 4.01 H new ATOM 0 HB1 ALA A 60 -2.622 17.776 8.915 1.00 74.51 H new ATOM 0 HB2 ALA A 60 -2.102 16.091 9.154 1.00 74.51 H new ATOM 0 HB3 ALA A 60 -2.265 16.747 7.508 1.00 74.51 H new ATOM 904 N ALA A 61 -6.286 17.180 7.791 1.00 71.44 N ATOM 905 CA ALA A 61 -7.198 18.051 7.060 1.00 71.44 C ATOM 906 C ALA A 61 -8.601 18.000 7.655 1.00 71.43 C ATOM 907 O ALA A 61 -8.990 17.008 8.273 1.00 64.32 O ATOM 908 CB ALA A 61 -7.232 17.664 5.589 1.00 72.54 C ATOM 0 H ALA A 61 -6.746 16.503 8.399 1.00 71.44 H new ATOM 0 HA ALA A 61 -6.832 19.074 7.147 1.00 71.44 H new ATOM 0 HB1 ALA A 61 -7.917 18.323 5.055 1.00 72.54 H new ATOM 0 HB2 ALA A 61 -6.233 17.759 5.165 1.00 72.54 H new ATOM 0 HB3 ALA A 61 -7.571 16.633 5.492 1.00 72.54 H new ATOM 914 N THR A 62 -9.359 19.075 7.465 1.00 1.53 N ATOM 915 CA THR A 62 -10.718 19.154 7.985 1.00 53.01 C ATOM 916 C THR A 62 -11.678 19.699 6.934 1.00 51.33 C ATOM 917 O THR A 62 -11.274 20.425 6.025 1.00 45.32 O ATOM 918 CB THR A 62 -10.789 20.044 9.240 1.00 54.52 C ATOM 919 OG1 THR A 62 -9.912 21.166 9.095 1.00 44.42 O ATOM 920 CG2 THR A 62 -10.412 19.256 10.485 1.00 42.21 C ATOM 0 H THR A 62 -9.054 19.904 6.954 1.00 1.53 H new ATOM 0 HA THR A 62 -11.014 18.139 8.252 1.00 53.01 H new ATOM 0 HB THR A 62 -11.814 20.397 9.350 1.00 54.52 H new ATOM 0 HG1 THR A 62 -9.964 21.728 9.896 1.00 44.42 H new ATOM 0 HG21 THR A 62 -10.470 19.906 11.358 1.00 42.21 H new ATOM 0 HG22 THR A 62 -11.100 18.420 10.609 1.00 42.21 H new ATOM 0 HG23 THR A 62 -9.395 18.877 10.382 1.00 42.21 H new ATOM 928 N THR A 63 -12.953 19.346 7.063 1.00 72.11 N ATOM 929 CA THR A 63 -13.971 19.800 6.124 1.00 70.43 C ATOM 930 C THR A 63 -14.562 21.136 6.557 1.00 51.32 C ATOM 931 O THR A 63 -14.412 21.550 7.707 1.00 52.14 O ATOM 932 CB THR A 63 -15.108 18.769 5.986 1.00 44.21 C ATOM 933 OG1 THR A 63 -15.964 19.127 4.895 1.00 1.14 O ATOM 934 CG2 THR A 63 -15.920 18.685 7.269 1.00 13.11 C ATOM 0 H THR A 63 -13.305 18.747 7.809 1.00 72.11 H new ATOM 0 HA THR A 63 -13.479 19.919 5.159 1.00 70.43 H new ATOM 0 HB THR A 63 -14.663 17.793 5.792 1.00 44.21 H new ATOM 0 HG1 THR A 63 -16.683 18.466 4.813 1.00 1.14 H new ATOM 0 HG21 THR A 63 -16.717 17.951 7.148 1.00 13.11 H new ATOM 0 HG22 THR A 63 -15.271 18.384 8.091 1.00 13.11 H new ATOM 0 HG23 THR A 63 -16.355 19.660 7.489 1.00 13.11 H new ATOM 942 N LYS A 64 -15.235 21.809 5.629 1.00 34.52 N ATOM 943 CA LYS A 64 -15.852 23.099 5.915 1.00 62.41 C ATOM 944 C LYS A 64 -16.950 22.956 6.963 1.00 15.53 C ATOM 945 O LYS A 64 -17.230 23.892 7.714 1.00 72.52 O ATOM 946 CB LYS A 64 -16.430 23.706 4.634 1.00 25.34 C ATOM 947 CG LYS A 64 -15.457 23.704 3.468 1.00 60.33 C ATOM 948 CD LYS A 64 -15.128 25.116 3.014 1.00 65.11 C ATOM 949 CE LYS A 64 -14.370 25.884 4.087 1.00 75.34 C ATOM 950 NZ LYS A 64 -14.906 27.262 4.265 1.00 72.32 N ATOM 0 H LYS A 64 -15.367 21.482 4.672 1.00 34.52 H new ATOM 0 HA LYS A 64 -15.082 23.763 6.309 1.00 62.41 H new ATOM 0 HB2 LYS A 64 -17.325 23.152 4.351 1.00 25.34 H new ATOM 0 HB3 LYS A 64 -16.741 24.731 4.836 1.00 25.34 H new ATOM 0 HG2 LYS A 64 -14.540 23.191 3.759 1.00 60.33 H new ATOM 0 HG3 LYS A 64 -15.885 23.144 2.637 1.00 60.33 H new ATOM 0 HD2 LYS A 64 -14.531 25.077 2.103 1.00 65.11 H new ATOM 0 HD3 LYS A 64 -16.049 25.645 2.769 1.00 65.11 H new ATOM 0 HE2 LYS A 64 -14.433 25.345 5.032 1.00 75.34 H new ATOM 0 HE3 LYS A 64 -13.315 25.936 3.819 1.00 75.34 H new ATOM 0 HZ1 LYS A 64 -14.363 27.753 5.004 1.00 72.32 H new ATOM 0 HZ2 LYS A 64 -14.823 27.785 3.370 1.00 72.32 H new ATOM 0 HZ3 LYS A 64 -15.906 27.212 4.545 1.00 72.32 H new ATOM 964 N ASP A 65 -17.569 21.782 7.010 1.00 24.42 N ATOM 965 CA ASP A 65 -18.635 21.516 7.969 1.00 51.42 C ATOM 966 C ASP A 65 -18.065 21.279 9.364 1.00 72.22 C ATOM 967 O ASP A 65 -18.769 21.412 10.364 1.00 71.51 O ATOM 968 CB ASP A 65 -19.457 20.305 7.527 1.00 33.21 C ATOM 969 CG ASP A 65 -20.949 20.539 7.658 1.00 34.45 C ATOM 970 OD1 ASP A 65 -21.561 19.964 8.583 1.00 34.32 O ATOM 971 OD2 ASP A 65 -21.505 21.297 6.837 1.00 12.31 O ATOM 0 H ASP A 65 -17.351 20.998 6.395 1.00 24.42 H new ATOM 0 HA ASP A 65 -19.284 22.391 8.006 1.00 51.42 H new ATOM 0 HB2 ASP A 65 -19.219 20.067 6.490 1.00 33.21 H new ATOM 0 HB3 ASP A 65 -19.174 19.439 8.126 1.00 33.21 H new ATOM 976 N GLY A 66 -16.785 20.925 9.422 1.00 4.23 N ATOM 977 CA GLY A 66 -16.142 20.673 10.699 1.00 52.40 C ATOM 978 C GLY A 66 -15.029 19.650 10.596 1.00 62.02 C ATOM 979 O GLY A 66 -14.002 19.899 9.963 1.00 1.23 O ATOM 0 H GLY A 66 -16.182 20.808 8.608 1.00 4.23 H new ATOM 0 HA2 GLY A 66 -15.738 21.607 11.089 1.00 52.40 H new ATOM 0 HA3 GLY A 66 -16.887 20.324 11.415 1.00 52.40 H new ATOM 983 N THR A 67 -15.230 18.494 11.221 1.00 61.24 N ATOM 984 CA THR A 67 -14.234 17.430 11.199 1.00 60.01 C ATOM 985 C THR A 67 -14.170 16.765 9.829 1.00 63.32 C ATOM 986 O THR A 67 -15.170 16.250 9.330 1.00 2.04 O ATOM 987 CB THR A 67 -14.534 16.358 12.264 1.00 44.21 C ATOM 988 OG1 THR A 67 -15.897 15.932 12.160 1.00 2.33 O ATOM 989 CG2 THR A 67 -14.270 16.896 13.662 1.00 2.12 C ATOM 0 H THR A 67 -16.074 18.271 11.749 1.00 61.24 H new ATOM 0 HA THR A 67 -13.272 17.893 11.420 1.00 60.01 H new ATOM 0 HB THR A 67 -13.874 15.508 12.089 1.00 44.21 H new ATOM 0 HG1 THR A 67 -16.178 15.959 11.221 1.00 2.33 H new ATOM 0 HG21 THR A 67 -14.489 16.122 14.397 1.00 2.12 H new ATOM 0 HG22 THR A 67 -13.224 17.192 13.747 1.00 2.12 H new ATOM 0 HG23 THR A 67 -14.908 17.761 13.845 1.00 2.12 H new ATOM 997 N GLY A 68 -12.986 16.778 9.224 1.00 5.32 N ATOM 998 CA GLY A 68 -12.813 16.172 7.917 1.00 52.41 C ATOM 999 C GLY A 68 -11.800 15.045 7.929 1.00 4.43 C ATOM 1000 O GLY A 68 -10.670 15.212 7.467 1.00 14.32 O ATOM 0 H GLY A 68 -12.143 17.198 9.616 1.00 5.32 H new ATOM 0 HA2 GLY A 68 -13.772 15.790 7.567 1.00 52.41 H new ATOM 0 HA3 GLY A 68 -12.495 16.934 7.206 1.00 52.41 H new ATOM 1004 N ILE A 69 -12.202 13.896 8.460 1.00 22.25 N ATOM 1005 CA ILE A 69 -11.320 12.738 8.532 1.00 63.45 C ATOM 1006 C ILE A 69 -11.263 12.007 7.194 1.00 34.34 C ATOM 1007 O ILE A 69 -12.284 11.821 6.534 1.00 73.22 O ATOM 1008 CB ILE A 69 -11.773 11.751 9.624 1.00 5.33 C ATOM 1009 CG1 ILE A 69 -11.771 12.436 10.993 1.00 42.25 C ATOM 1010 CG2 ILE A 69 -10.871 10.526 9.638 1.00 32.21 C ATOM 1011 CD1 ILE A 69 -12.700 11.787 11.994 1.00 12.42 C ATOM 0 H ILE A 69 -13.133 13.742 8.847 1.00 22.25 H new ATOM 0 HA ILE A 69 -10.327 13.113 8.782 1.00 63.45 H new ATOM 0 HB ILE A 69 -12.790 11.427 9.401 1.00 5.33 H new ATOM 0 HG12 ILE A 69 -10.757 12.429 11.393 1.00 42.25 H new ATOM 0 HG13 ILE A 69 -12.057 13.480 10.868 1.00 42.25 H new ATOM 0 HG21 ILE A 69 -11.204 9.838 10.415 1.00 32.21 H new ATOM 0 HG22 ILE A 69 -10.917 10.029 8.669 1.00 32.21 H new ATOM 0 HG23 ILE A 69 -9.845 10.832 9.840 1.00 32.21 H new ATOM 0 HD11 ILE A 69 -12.647 12.324 12.941 1.00 12.42 H new ATOM 0 HD12 ILE A 69 -13.722 11.818 11.616 1.00 12.42 H new ATOM 0 HD13 ILE A 69 -12.402 10.750 12.148 1.00 12.42 H new ATOM 1023 N ASN A 70 -10.063 11.593 6.803 1.00 63.43 N ATOM 1024 CA ASN A 70 -9.873 10.880 5.544 1.00 2.15 C ATOM 1025 C ASN A 70 -9.535 9.414 5.795 1.00 21.33 C ATOM 1026 O ASN A 70 -8.373 9.006 5.775 1.00 12.44 O ATOM 1027 CB ASN A 70 -8.761 11.538 4.724 1.00 13.24 C ATOM 1028 CG ASN A 70 -8.700 13.039 4.934 1.00 63.14 C ATOM 1029 OD1 ASN A 70 -9.268 13.809 4.159 1.00 64.34 O ATOM 1030 ND2 ASN A 70 -8.007 13.462 5.985 1.00 34.30 N ATOM 0 H ASN A 70 -9.207 11.738 7.339 1.00 63.43 H new ATOM 0 HA ASN A 70 -10.806 10.929 4.983 1.00 2.15 H new ATOM 0 HB2 ASN A 70 -7.802 11.096 4.996 1.00 13.24 H new ATOM 0 HB3 ASN A 70 -8.920 11.328 3.666 1.00 13.24 H new ATOM 0 HD21 ASN A 70 -7.929 14.461 6.176 1.00 34.30 H new ATOM 0 HD22 ASN A 70 -7.552 12.788 6.601 1.00 34.30 H new ATOM 1037 N PRO A 71 -10.574 8.600 6.037 1.00 45.12 N ATOM 1038 CA PRO A 71 -10.413 7.166 6.295 1.00 5.10 C ATOM 1039 C PRO A 71 -9.974 6.399 5.052 1.00 35.12 C ATOM 1040 O PRO A 71 -9.030 5.612 5.098 1.00 24.21 O ATOM 1041 CB PRO A 71 -11.812 6.725 6.730 1.00 31.33 C ATOM 1042 CG PRO A 71 -12.733 7.713 6.103 1.00 53.22 C ATOM 1043 CD PRO A 71 -11.985 9.017 6.076 1.00 52.31 C ATOM 0 HA PRO A 71 -9.639 6.969 7.037 1.00 5.10 H new ATOM 0 HB2 PRO A 71 -12.030 5.712 6.393 1.00 31.33 H new ATOM 0 HB3 PRO A 71 -11.908 6.728 7.816 1.00 31.33 H new ATOM 0 HG2 PRO A 71 -13.012 7.402 5.096 1.00 53.22 H new ATOM 0 HG3 PRO A 71 -13.656 7.804 6.676 1.00 53.22 H new ATOM 0 HD2 PRO A 71 -12.251 9.615 5.205 1.00 52.31 H new ATOM 0 HD3 PRO A 71 -12.201 9.622 6.956 1.00 52.31 H new ATOM 1051 N ALA A 72 -10.667 6.634 3.943 1.00 71.04 N ATOM 1052 CA ALA A 72 -10.348 5.967 2.687 1.00 65.33 C ATOM 1053 C ALA A 72 -9.733 6.941 1.688 1.00 5.32 C ATOM 1054 O ALA A 72 -8.951 6.546 0.823 1.00 11.44 O ATOM 1055 CB ALA A 72 -11.594 5.323 2.099 1.00 35.41 C ATOM 0 H ALA A 72 -11.453 7.282 3.889 1.00 71.04 H new ATOM 0 HA ALA A 72 -9.614 5.189 2.895 1.00 65.33 H new ATOM 0 HB1 ALA A 72 -11.340 4.829 1.161 1.00 35.41 H new ATOM 0 HB2 ALA A 72 -11.990 4.589 2.801 1.00 35.41 H new ATOM 0 HB3 ALA A 72 -12.346 6.089 1.913 1.00 35.41 H new ATOM 1061 N GLN A 73 -10.091 8.215 1.814 1.00 72.13 N ATOM 1062 CA GLN A 73 -9.575 9.245 0.920 1.00 2.13 C ATOM 1063 C GLN A 73 -9.872 8.902 -0.536 1.00 21.14 C ATOM 1064 O GLN A 73 -9.209 9.395 -1.449 1.00 54.02 O ATOM 1065 CB GLN A 73 -8.068 9.414 1.120 1.00 64.14 C ATOM 1066 CG GLN A 73 -7.629 9.297 2.570 1.00 22.33 C ATOM 1067 CD GLN A 73 -6.558 10.305 2.939 1.00 34.25 C ATOM 1068 OE1 GLN A 73 -6.694 11.498 2.669 1.00 2.51 O ATOM 1069 NE2 GLN A 73 -5.486 9.829 3.561 1.00 21.02 N ATOM 0 H GLN A 73 -10.736 8.558 2.526 1.00 72.13 H new ATOM 0 HA GLN A 73 -10.074 10.183 1.161 1.00 2.13 H new ATOM 0 HB2 GLN A 73 -7.545 8.662 0.529 1.00 64.14 H new ATOM 0 HB3 GLN A 73 -7.766 10.388 0.735 1.00 64.14 H new ATOM 0 HG2 GLN A 73 -8.493 9.437 3.220 1.00 22.33 H new ATOM 0 HG3 GLN A 73 -7.253 8.290 2.752 1.00 22.33 H new ATOM 0 HE21 GLN A 73 -5.415 8.832 3.765 1.00 21.02 H new ATOM 0 HE22 GLN A 73 -4.733 10.460 3.835 1.00 21.02 H new ATOM 1078 N THR A 74 -10.873 8.052 -0.746 1.00 42.40 N ATOM 1079 CA THR A 74 -11.257 7.642 -2.091 1.00 21.24 C ATOM 1080 C THR A 74 -12.103 8.711 -2.771 1.00 54.34 C ATOM 1081 O THR A 74 -12.656 9.591 -2.112 1.00 52.33 O ATOM 1082 CB THR A 74 -12.043 6.317 -2.070 1.00 43.15 C ATOM 1083 OG1 THR A 74 -11.506 5.444 -1.071 1.00 4.04 O ATOM 1084 CG2 THR A 74 -11.988 5.635 -3.429 1.00 70.21 C ATOM 0 H THR A 74 -11.432 7.635 -0.002 1.00 42.40 H new ATOM 0 HA THR A 74 -10.335 7.501 -2.654 1.00 21.24 H new ATOM 0 HB THR A 74 -13.083 6.541 -1.834 1.00 43.15 H new ATOM 0 HG1 THR A 74 -12.012 4.605 -1.063 1.00 4.04 H new ATOM 0 HG21 THR A 74 -12.550 4.702 -3.391 1.00 70.21 H new ATOM 0 HG22 THR A 74 -12.424 6.290 -4.183 1.00 70.21 H new ATOM 0 HG23 THR A 74 -10.951 5.424 -3.688 1.00 70.21 H new ATOM 1092 N ALA A 75 -12.201 8.629 -4.094 1.00 70.32 N ATOM 1093 CA ALA A 75 -12.983 9.588 -4.864 1.00 1.42 C ATOM 1094 C ALA A 75 -14.455 9.540 -4.468 1.00 41.23 C ATOM 1095 O ALA A 75 -15.087 10.576 -4.263 1.00 22.51 O ATOM 1096 CB ALA A 75 -12.826 9.323 -6.354 1.00 2.22 C ATOM 0 H ALA A 75 -11.748 7.908 -4.655 1.00 70.32 H new ATOM 0 HA ALA A 75 -12.607 10.587 -4.643 1.00 1.42 H new ATOM 0 HB1 ALA A 75 -13.416 10.047 -6.916 1.00 2.22 H new ATOM 0 HB2 ALA A 75 -11.776 9.416 -6.631 1.00 2.22 H new ATOM 0 HB3 ALA A 75 -13.174 8.316 -6.583 1.00 2.22 H new ATOM 1102 N GLY A 76 -14.996 8.330 -4.364 1.00 23.11 N ATOM 1103 CA GLY A 76 -16.390 8.170 -3.994 1.00 61.22 C ATOM 1104 C GLY A 76 -16.667 8.611 -2.571 1.00 4.42 C ATOM 1105 O GLY A 76 -17.710 9.199 -2.288 1.00 22.21 O ATOM 0 H GLY A 76 -14.494 7.458 -4.529 1.00 23.11 H new ATOM 0 HA2 GLY A 76 -17.013 8.747 -4.678 1.00 61.22 H new ATOM 0 HA3 GLY A 76 -16.675 7.124 -4.109 1.00 61.22 H new ATOM 1109 N ASN A 77 -15.730 8.327 -1.672 1.00 20.42 N ATOM 1110 CA ASN A 77 -15.879 8.697 -0.269 1.00 73.40 C ATOM 1111 C ASN A 77 -15.721 10.203 -0.084 1.00 23.32 C ATOM 1112 O ASN A 77 -16.608 10.871 0.448 1.00 63.40 O ATOM 1113 CB ASN A 77 -14.851 7.955 0.588 1.00 53.02 C ATOM 1114 CG ASN A 77 -15.316 6.564 0.973 1.00 24.22 C ATOM 1115 OD1 ASN A 77 -15.586 6.289 2.143 1.00 43.25 O ATOM 1116 ND2 ASN A 77 -15.410 5.678 -0.011 1.00 71.25 N ATOM 0 H ASN A 77 -14.860 7.842 -1.890 1.00 20.42 H new ATOM 0 HA ASN A 77 -16.881 8.413 0.052 1.00 73.40 H new ATOM 0 HB2 ASN A 77 -13.911 7.883 0.041 1.00 53.02 H new ATOM 0 HB3 ASN A 77 -14.651 8.531 1.491 1.00 53.02 H new ATOM 0 HD21 ASN A 77 -15.716 4.726 0.188 1.00 71.25 H new ATOM 0 HD22 ASN A 77 -15.176 5.950 -0.966 1.00 71.25 H new ATOM 1123 N VAL A 78 -14.585 10.732 -0.527 1.00 25.51 N ATOM 1124 CA VAL A 78 -14.310 12.159 -0.412 1.00 64.21 C ATOM 1125 C VAL A 78 -15.383 12.983 -1.113 1.00 52.42 C ATOM 1126 O VAL A 78 -15.714 14.088 -0.681 1.00 33.41 O ATOM 1127 CB VAL A 78 -12.934 12.515 -1.007 1.00 12.14 C ATOM 1128 CG1 VAL A 78 -12.679 14.011 -0.903 1.00 24.13 C ATOM 1129 CG2 VAL A 78 -11.834 11.728 -0.311 1.00 44.22 C ATOM 0 H VAL A 78 -13.840 10.193 -0.969 1.00 25.51 H new ATOM 0 HA VAL A 78 -14.310 12.397 0.652 1.00 64.21 H new ATOM 0 HB VAL A 78 -12.931 12.243 -2.063 1.00 12.14 H new ATOM 0 HG11 VAL A 78 -11.703 14.244 -1.328 1.00 24.13 H new ATOM 0 HG12 VAL A 78 -13.452 14.551 -1.451 1.00 24.13 H new ATOM 0 HG13 VAL A 78 -12.700 14.312 0.145 1.00 24.13 H new ATOM 0 HG21 VAL A 78 -10.869 11.991 -0.743 1.00 44.22 H new ATOM 0 HG22 VAL A 78 -11.833 11.967 0.752 1.00 44.22 H new ATOM 0 HG23 VAL A 78 -12.011 10.661 -0.443 1.00 44.22 H new ATOM 1139 N PHE A 79 -15.925 12.440 -2.198 1.00 63.32 N ATOM 1140 CA PHE A 79 -16.962 13.125 -2.961 1.00 4.24 C ATOM 1141 C PHE A 79 -18.129 13.518 -2.060 1.00 72.31 C ATOM 1142 O PHE A 79 -18.682 14.610 -2.184 1.00 75.11 O ATOM 1143 CB PHE A 79 -17.459 12.234 -4.101 1.00 11.42 C ATOM 1144 CG PHE A 79 -18.673 12.777 -4.799 1.00 35.51 C ATOM 1145 CD1 PHE A 79 -18.581 13.897 -5.609 1.00 22.20 C ATOM 1146 CD2 PHE A 79 -19.908 12.166 -4.645 1.00 2.23 C ATOM 1147 CE1 PHE A 79 -19.696 14.398 -6.253 1.00 52.12 C ATOM 1148 CE2 PHE A 79 -21.026 12.663 -5.287 1.00 35.33 C ATOM 1149 CZ PHE A 79 -20.921 13.781 -6.091 1.00 21.31 C ATOM 0 H PHE A 79 -15.663 11.527 -2.569 1.00 63.32 H new ATOM 0 HA PHE A 79 -16.529 14.033 -3.382 1.00 4.24 H new ATOM 0 HB2 PHE A 79 -16.657 12.107 -4.829 1.00 11.42 H new ATOM 0 HB3 PHE A 79 -17.689 11.245 -3.705 1.00 11.42 H new ATOM 0 HD1 PHE A 79 -17.626 14.385 -5.739 1.00 22.20 H new ATOM 0 HD2 PHE A 79 -19.997 11.292 -4.017 1.00 2.23 H new ATOM 0 HE1 PHE A 79 -19.610 15.271 -6.883 1.00 52.12 H new ATOM 0 HE2 PHE A 79 -21.982 12.177 -5.160 1.00 35.33 H new ATOM 0 HZ PHE A 79 -21.794 14.172 -6.592 1.00 21.31 H new ATOM 1159 N MET A 80 -18.498 12.618 -1.154 1.00 74.03 N ATOM 1160 CA MET A 80 -19.600 12.870 -0.232 1.00 63.02 C ATOM 1161 C MET A 80 -19.082 13.400 1.101 1.00 30.12 C ATOM 1162 O MET A 80 -19.825 14.011 1.869 1.00 15.10 O ATOM 1163 CB MET A 80 -20.407 11.590 -0.007 1.00 13.32 C ATOM 1164 CG MET A 80 -21.869 11.716 -0.404 1.00 50.24 C ATOM 1165 SD MET A 80 -22.454 10.302 -1.357 1.00 61.43 S ATOM 1166 CE MET A 80 -24.220 10.412 -1.078 1.00 43.11 C ATOM 0 H MET A 80 -18.051 11.709 -1.039 1.00 74.03 H new ATOM 0 HA MET A 80 -20.248 13.626 -0.676 1.00 63.02 H new ATOM 0 HB2 MET A 80 -19.953 10.779 -0.576 1.00 13.32 H new ATOM 0 HB3 MET A 80 -20.347 11.313 1.045 1.00 13.32 H new ATOM 0 HG2 MET A 80 -22.478 11.821 0.494 1.00 50.24 H new ATOM 0 HG3 MET A 80 -22.005 12.625 -0.989 1.00 50.24 H new ATOM 0 HE1 MET A 80 -24.723 9.601 -1.605 1.00 43.11 H new ATOM 0 HE2 MET A 80 -24.425 10.333 -0.010 1.00 43.11 H new ATOM 0 HE3 MET A 80 -24.588 11.369 -1.448 1.00 43.11 H new ATOM 1176 N LYS A 81 -17.803 13.162 1.371 1.00 60.21 N ATOM 1177 CA LYS A 81 -17.185 13.616 2.611 1.00 23.40 C ATOM 1178 C LYS A 81 -16.945 15.122 2.580 1.00 34.33 C ATOM 1179 O LYS A 81 -17.417 15.853 3.452 1.00 62.23 O ATOM 1180 CB LYS A 81 -15.861 12.883 2.843 1.00 34.11 C ATOM 1181 CG LYS A 81 -15.528 12.680 4.311 1.00 43.10 C ATOM 1182 CD LYS A 81 -15.619 11.216 4.707 1.00 74.15 C ATOM 1183 CE LYS A 81 -17.046 10.698 4.602 1.00 42.51 C ATOM 1184 NZ LYS A 81 -17.109 9.216 4.731 1.00 12.32 N ATOM 0 H LYS A 81 -17.174 12.657 0.747 1.00 60.21 H new ATOM 0 HA LYS A 81 -17.867 13.391 3.431 1.00 23.40 H new ATOM 0 HB2 LYS A 81 -15.902 11.911 2.351 1.00 34.11 H new ATOM 0 HB3 LYS A 81 -15.056 13.446 2.371 1.00 34.11 H new ATOM 0 HG2 LYS A 81 -14.522 13.050 4.511 1.00 43.10 H new ATOM 0 HG3 LYS A 81 -16.212 13.267 4.924 1.00 43.10 H new ATOM 0 HD2 LYS A 81 -14.967 10.623 4.065 1.00 74.15 H new ATOM 0 HD3 LYS A 81 -15.260 11.091 5.728 1.00 74.15 H new ATOM 0 HE2 LYS A 81 -17.657 11.156 5.380 1.00 42.51 H new ATOM 0 HE3 LYS A 81 -17.472 10.998 3.644 1.00 42.51 H new ATOM 0 HZ1 LYS A 81 -18.098 8.903 4.654 1.00 12.32 H new ATOM 0 HZ2 LYS A 81 -16.547 8.777 3.974 1.00 12.32 H new ATOM 0 HZ3 LYS A 81 -16.727 8.931 5.655 1.00 12.32 H new ATOM 1198 N TYR A 82 -16.212 15.579 1.572 1.00 50.04 N ATOM 1199 CA TYR A 82 -15.910 16.998 1.428 1.00 2.23 C ATOM 1200 C TYR A 82 -16.503 17.554 0.137 1.00 21.21 C ATOM 1201 O TYR A 82 -16.812 18.741 0.043 1.00 62.12 O ATOM 1202 CB TYR A 82 -14.397 17.223 1.446 1.00 41.31 C ATOM 1203 CG TYR A 82 -13.666 16.347 2.438 1.00 0.43 C ATOM 1204 CD1 TYR A 82 -14.133 16.198 3.738 1.00 0.15 C ATOM 1205 CD2 TYR A 82 -12.508 15.670 2.076 1.00 12.14 C ATOM 1206 CE1 TYR A 82 -13.468 15.400 4.649 1.00 72.51 C ATOM 1207 CE2 TYR A 82 -11.838 14.868 2.980 1.00 42.33 C ATOM 1208 CZ TYR A 82 -12.321 14.736 4.265 1.00 55.34 C ATOM 1209 OH TYR A 82 -11.656 13.940 5.168 1.00 63.32 O ATOM 0 H TYR A 82 -15.816 14.987 0.842 1.00 50.04 H new ATOM 0 HA TYR A 82 -16.360 17.526 2.269 1.00 2.23 H new ATOM 0 HB2 TYR A 82 -13.999 17.038 0.448 1.00 41.31 H new ATOM 0 HB3 TYR A 82 -14.196 18.268 1.680 1.00 41.31 H new ATOM 0 HD1 TYR A 82 -15.031 16.715 4.042 1.00 0.15 H new ATOM 0 HD2 TYR A 82 -12.125 15.772 1.071 1.00 12.14 H new ATOM 0 HE1 TYR A 82 -13.844 15.296 5.656 1.00 72.51 H new ATOM 0 HE2 TYR A 82 -10.940 14.347 2.682 1.00 42.33 H new ATOM 0 HH TYR A 82 -12.146 13.100 5.287 1.00 63.32 H new ATOM 1219 N GLY A 83 -16.660 16.684 -0.857 1.00 4.53 N ATOM 1220 CA GLY A 83 -17.215 17.105 -2.130 1.00 15.15 C ATOM 1221 C GLY A 83 -16.506 18.317 -2.700 1.00 62.00 C ATOM 1222 O GLY A 83 -17.082 19.402 -2.776 1.00 24.11 O ATOM 0 H GLY A 83 -16.413 15.696 -0.803 1.00 4.53 H new ATOM 0 HA2 GLY A 83 -17.149 16.282 -2.841 1.00 15.15 H new ATOM 0 HA3 GLY A 83 -18.273 17.333 -2.004 1.00 15.15 H new ATOM 1226 N GLN A 84 -15.252 18.132 -3.100 1.00 41.53 N ATOM 1227 CA GLN A 84 -14.463 19.221 -3.664 1.00 45.03 C ATOM 1228 C GLN A 84 -14.494 20.445 -2.754 1.00 70.54 C ATOM 1229 O GLN A 84 -14.888 21.532 -3.175 1.00 24.21 O ATOM 1230 CB GLN A 84 -14.984 19.591 -5.054 1.00 33.41 C ATOM 1231 CG GLN A 84 -14.495 18.662 -6.154 1.00 54.41 C ATOM 1232 CD GLN A 84 -15.366 18.717 -7.394 1.00 13.32 C ATOM 1233 OE1 GLN A 84 -14.991 19.313 -8.404 1.00 71.32 O ATOM 1234 NE2 GLN A 84 -16.537 18.095 -7.323 1.00 70.31 N ATOM 0 H GLN A 84 -14.761 17.240 -3.044 1.00 41.53 H new ATOM 0 HA GLN A 84 -13.431 18.881 -3.749 1.00 45.03 H new ATOM 0 HB2 GLN A 84 -16.074 19.581 -5.039 1.00 33.41 H new ATOM 0 HB3 GLN A 84 -14.678 20.611 -5.288 1.00 33.41 H new ATOM 0 HG2 GLN A 84 -13.472 18.928 -6.421 1.00 54.41 H new ATOM 0 HG3 GLN A 84 -14.471 17.640 -5.777 1.00 54.41 H new ATOM 0 HE21 GLN A 84 -16.807 17.613 -6.466 1.00 70.31 H new ATOM 0 HE22 GLN A 84 -17.166 18.099 -8.126 1.00 70.31 H new ATOM 1243 N GLU A 85 -14.077 20.258 -1.506 1.00 11.32 N ATOM 1244 CA GLU A 85 -14.059 21.348 -0.537 1.00 33.33 C ATOM 1245 C GLU A 85 -13.450 20.890 0.785 1.00 21.13 C ATOM 1246 O GLU A 85 -14.167 20.547 1.725 1.00 32.55 O ATOM 1247 CB GLU A 85 -15.477 21.875 -0.302 1.00 64.52 C ATOM 1248 CG GLU A 85 -15.524 23.344 0.081 1.00 50.22 C ATOM 1249 CD GLU A 85 -16.922 23.809 0.439 1.00 32.35 C ATOM 1250 OE1 GLU A 85 -17.665 23.024 1.067 1.00 44.24 O ATOM 1251 OE2 GLU A 85 -17.274 24.956 0.093 1.00 30.34 O ATOM 0 H GLU A 85 -13.748 19.364 -1.142 1.00 11.32 H new ATOM 0 HA GLU A 85 -13.443 22.151 -0.943 1.00 33.33 H new ATOM 0 HB2 GLU A 85 -16.066 21.725 -1.207 1.00 64.52 H new ATOM 0 HB3 GLU A 85 -15.948 21.287 0.486 1.00 64.52 H new ATOM 0 HG2 GLU A 85 -14.860 23.516 0.928 1.00 50.22 H new ATOM 0 HG3 GLU A 85 -15.147 23.944 -0.747 1.00 50.22 H new ATOM 1258 N ILE A 86 -12.123 20.887 0.849 1.00 43.33 N ATOM 1259 CA ILE A 86 -11.417 20.472 2.055 1.00 42.54 C ATOM 1260 C ILE A 86 -10.219 21.375 2.328 1.00 4.22 C ATOM 1261 O ILE A 86 -9.549 21.833 1.402 1.00 54.30 O ATOM 1262 CB ILE A 86 -10.933 19.014 1.950 1.00 33.03 C ATOM 1263 CG1 ILE A 86 -10.167 18.616 3.214 1.00 52.24 C ATOM 1264 CG2 ILE A 86 -10.062 18.832 0.717 1.00 71.35 C ATOM 1265 CD1 ILE A 86 -9.655 17.193 3.187 1.00 50.13 C ATOM 0 H ILE A 86 -11.515 21.167 0.080 1.00 43.33 H new ATOM 0 HA ILE A 86 -12.125 20.553 2.879 1.00 42.54 H new ATOM 0 HB ILE A 86 -11.803 18.364 1.855 1.00 33.03 H new ATOM 0 HG12 ILE A 86 -9.324 19.294 3.347 1.00 52.24 H new ATOM 0 HG13 ILE A 86 -10.818 18.743 4.079 1.00 52.24 H new ATOM 0 HG21 ILE A 86 -9.728 17.796 0.657 1.00 71.35 H new ATOM 0 HG22 ILE A 86 -10.638 19.080 -0.175 1.00 71.35 H new ATOM 0 HG23 ILE A 86 -9.195 19.489 0.784 1.00 71.35 H new ATOM 0 HD11 ILE A 86 -9.122 16.980 4.114 1.00 50.13 H new ATOM 0 HD12 ILE A 86 -10.495 16.506 3.085 1.00 50.13 H new ATOM 0 HD13 ILE A 86 -8.978 17.066 2.342 1.00 50.13 H new ATOM 1277 N ARG A 87 -9.953 21.625 3.606 1.00 3.21 N ATOM 1278 CA ARG A 87 -8.834 22.473 4.002 1.00 34.41 C ATOM 1279 C ARG A 87 -7.740 21.649 4.675 1.00 11.32 C ATOM 1280 O ARG A 87 -8.022 20.668 5.365 1.00 42.22 O ATOM 1281 CB ARG A 87 -9.313 23.576 4.948 1.00 24.52 C ATOM 1282 CG ARG A 87 -9.672 23.073 6.337 1.00 55.02 C ATOM 1283 CD ARG A 87 -8.720 23.617 7.390 1.00 30.22 C ATOM 1284 NE ARG A 87 -9.174 24.895 7.931 1.00 34.03 N ATOM 1285 CZ ARG A 87 -8.386 25.734 8.594 1.00 14.21 C ATOM 1286 NH1 ARG A 87 -7.111 25.432 8.796 1.00 34.02 N ATOM 1287 NH2 ARG A 87 -8.873 26.879 9.056 1.00 75.20 N ATOM 0 H ARG A 87 -10.497 21.253 4.385 1.00 3.21 H new ATOM 0 HA ARG A 87 -8.420 22.930 3.103 1.00 34.41 H new ATOM 0 HB2 ARG A 87 -8.533 24.333 5.035 1.00 24.52 H new ATOM 0 HB3 ARG A 87 -10.184 24.065 4.511 1.00 24.52 H new ATOM 0 HG2 ARG A 87 -10.692 23.369 6.580 1.00 55.02 H new ATOM 0 HG3 ARG A 87 -9.645 21.983 6.349 1.00 55.02 H new ATOM 0 HD2 ARG A 87 -8.624 22.894 8.200 1.00 30.22 H new ATOM 0 HD3 ARG A 87 -7.729 23.740 6.954 1.00 30.22 H new ATOM 0 HE ARG A 87 -10.150 25.158 7.792 1.00 34.03 H new ATOM 0 HH11 ARG A 87 -6.733 24.553 8.442 1.00 34.02 H new ATOM 0 HH12 ARG A 87 -6.508 26.078 9.305 1.00 34.02 H new ATOM 0 HH21 ARG A 87 -9.853 27.115 8.902 1.00 75.20 H new ATOM 0 HH22 ARG A 87 -8.267 27.523 9.565 1.00 75.20 H new ATOM 1301 N LEU A 88 -6.492 22.054 4.470 1.00 3.32 N ATOM 1302 CA LEU A 88 -5.354 21.354 5.057 1.00 51.23 C ATOM 1303 C LEU A 88 -5.023 21.913 6.437 1.00 54.11 C ATOM 1304 O LEU A 88 -4.804 23.114 6.594 1.00 5.43 O ATOM 1305 CB LEU A 88 -4.133 21.468 4.142 1.00 74.31 C ATOM 1306 CG LEU A 88 -2.981 20.507 4.438 1.00 1.53 C ATOM 1307 CD1 LEU A 88 -2.854 19.469 3.335 1.00 73.14 C ATOM 1308 CD2 LEU A 88 -1.677 21.274 4.604 1.00 40.32 C ATOM 0 H LEU A 88 -6.242 22.863 3.902 1.00 3.32 H new ATOM 0 HA LEU A 88 -5.622 20.303 5.166 1.00 51.23 H new ATOM 0 HB2 LEU A 88 -4.458 21.308 3.114 1.00 74.31 H new ATOM 0 HB3 LEU A 88 -3.753 22.488 4.201 1.00 74.31 H new ATOM 0 HG LEU A 88 -3.197 19.989 5.372 1.00 1.53 H new ATOM 0 HD11 LEU A 88 -2.029 18.794 3.564 1.00 73.14 H new ATOM 0 HD12 LEU A 88 -3.780 18.899 3.264 1.00 73.14 H new ATOM 0 HD13 LEU A 88 -2.662 19.969 2.386 1.00 73.14 H new ATOM 0 HD21 LEU A 88 -0.868 20.575 4.814 1.00 40.32 H new ATOM 0 HD22 LEU A 88 -1.456 21.819 3.686 1.00 40.32 H new ATOM 0 HD23 LEU A 88 -1.772 21.978 5.431 1.00 40.32 H new ATOM 1320 N ILE A 89 -4.988 21.034 7.433 1.00 42.05 N ATOM 1321 CA ILE A 89 -4.680 21.440 8.798 1.00 34.44 C ATOM 1322 C ILE A 89 -3.782 20.417 9.486 1.00 11.24 C ATOM 1323 O ILE A 89 -4.031 19.212 9.451 1.00 63.13 O ATOM 1324 CB ILE A 89 -5.962 21.624 9.633 1.00 44.33 C ATOM 1325 CG1 ILE A 89 -5.618 22.164 11.023 1.00 62.43 C ATOM 1326 CG2 ILE A 89 -6.717 20.308 9.741 1.00 14.42 C ATOM 1327 CD1 ILE A 89 -6.824 22.338 11.918 1.00 12.35 C ATOM 0 H ILE A 89 -5.169 20.037 7.320 1.00 42.05 H new ATOM 0 HA ILE A 89 -4.157 22.394 8.733 1.00 34.44 H new ATOM 0 HB ILE A 89 -6.604 22.348 9.132 1.00 44.33 H new ATOM 0 HG12 ILE A 89 -4.914 21.485 11.504 1.00 62.43 H new ATOM 0 HG13 ILE A 89 -5.113 23.124 10.916 1.00 62.43 H new ATOM 0 HG21 ILE A 89 -7.620 20.454 10.334 1.00 14.42 H new ATOM 0 HG22 ILE A 89 -6.989 19.962 8.744 1.00 14.42 H new ATOM 0 HG23 ILE A 89 -6.083 19.563 10.223 1.00 14.42 H new ATOM 0 HD11 ILE A 89 -6.506 22.724 12.886 1.00 12.35 H new ATOM 0 HD12 ILE A 89 -7.520 23.040 11.459 1.00 12.35 H new ATOM 0 HD13 ILE A 89 -7.317 21.376 12.055 1.00 12.35 H new ATOM 1339 N PRO A 90 -2.713 20.908 10.130 1.00 24.32 N ATOM 1340 CA PRO A 90 -1.756 20.054 10.841 1.00 34.14 C ATOM 1341 C PRO A 90 -2.355 19.438 12.101 1.00 1.05 C ATOM 1342 O PRO A 90 -2.377 20.066 13.160 1.00 21.23 O ATOM 1343 CB PRO A 90 -0.622 21.016 11.203 1.00 14.33 C ATOM 1344 CG PRO A 90 -1.266 22.359 11.251 1.00 42.11 C ATOM 1345 CD PRO A 90 -2.355 22.334 10.214 1.00 65.41 C ATOM 0 HA PRO A 90 -1.436 19.207 10.234 1.00 34.14 H new ATOM 0 HB2 PRO A 90 -0.174 20.757 12.162 1.00 14.33 H new ATOM 0 HB3 PRO A 90 0.175 20.985 10.460 1.00 14.33 H new ATOM 0 HG2 PRO A 90 -1.675 22.561 12.241 1.00 42.11 H new ATOM 0 HG3 PRO A 90 -0.543 23.146 11.038 1.00 42.11 H new ATOM 0 HD2 PRO A 90 -3.207 22.945 10.511 1.00 65.41 H new ATOM 0 HD3 PRO A 90 -2.006 22.718 9.255 1.00 65.41 H new ATOM 1353 N ARG A 91 -2.839 18.206 11.980 1.00 2.21 N ATOM 1354 CA ARG A 91 -3.438 17.506 13.110 1.00 52.13 C ATOM 1355 C ARG A 91 -2.658 16.237 13.439 1.00 71.45 C ATOM 1356 O ARG A 91 -1.914 15.720 12.605 1.00 43.10 O ATOM 1357 CB ARG A 91 -4.896 17.157 12.805 1.00 12.13 C ATOM 1358 CG ARG A 91 -5.798 17.187 14.029 1.00 63.43 C ATOM 1359 CD ARG A 91 -6.202 15.785 14.457 1.00 73.44 C ATOM 1360 NE ARG A 91 -7.536 15.757 15.051 1.00 40.10 N ATOM 1361 CZ ARG A 91 -7.973 14.775 15.832 1.00 44.03 C ATOM 1362 NH1 ARG A 91 -7.185 13.746 16.111 1.00 61.31 N ATOM 1363 NH2 ARG A 91 -9.199 14.822 16.335 1.00 33.32 N ATOM 0 H ARG A 91 -2.828 17.672 11.111 1.00 2.21 H new ATOM 0 HA ARG A 91 -3.403 18.168 13.976 1.00 52.13 H new ATOM 0 HB2 ARG A 91 -5.281 17.857 12.063 1.00 12.13 H new ATOM 0 HB3 ARG A 91 -4.937 16.164 12.358 1.00 12.13 H new ATOM 0 HG2 ARG A 91 -5.283 17.685 14.850 1.00 63.43 H new ATOM 0 HG3 ARG A 91 -6.690 17.773 13.810 1.00 63.43 H new ATOM 0 HD2 ARG A 91 -6.176 15.121 13.593 1.00 73.44 H new ATOM 0 HD3 ARG A 91 -5.477 15.402 15.176 1.00 73.44 H new ATOM 0 HE ARG A 91 -8.167 16.534 14.855 1.00 40.10 H new ATOM 0 HH11 ARG A 91 -6.241 13.707 15.726 1.00 61.31 H new ATOM 0 HH12 ARG A 91 -7.522 12.993 16.711 1.00 61.31 H new ATOM 0 HH21 ARG A 91 -9.808 15.613 16.122 1.00 33.32 H new ATOM 0 HH22 ARG A 91 -9.534 14.068 16.934 1.00 33.32 H new ATOM 1377 N ASP A 92 -2.834 15.740 14.658 1.00 63.20 N ATOM 1378 CA ASP A 92 -2.147 14.531 15.097 1.00 21.32 C ATOM 1379 C ASP A 92 -0.636 14.741 15.118 1.00 71.24 C ATOM 1380 O ASP A 92 0.135 13.789 14.992 1.00 14.01 O ATOM 1381 CB ASP A 92 -2.499 13.357 14.181 1.00 2.43 C ATOM 1382 CG ASP A 92 -2.600 12.045 14.934 1.00 12.41 C ATOM 1383 OD1 ASP A 92 -3.291 12.009 15.974 1.00 10.51 O ATOM 1384 OD2 ASP A 92 -1.989 11.054 14.483 1.00 54.21 O ATOM 0 H ASP A 92 -3.447 16.156 15.360 1.00 63.20 H new ATOM 0 HA ASP A 92 -2.478 14.303 16.110 1.00 21.32 H new ATOM 0 HB2 ASP A 92 -3.447 13.560 13.683 1.00 2.43 H new ATOM 0 HB3 ASP A 92 -1.742 13.268 13.402 1.00 2.43 H new ATOM 1389 N ARG A 93 -0.220 15.993 15.275 1.00 10.13 N ATOM 1390 CA ARG A 93 1.198 16.328 15.310 1.00 44.44 C ATOM 1391 C ARG A 93 1.506 17.271 16.470 1.00 64.25 C ATOM 1392 O ARG A 93 2.265 16.928 17.377 1.00 51.53 O ATOM 1393 CB ARG A 93 1.624 16.972 13.989 1.00 62.03 C ATOM 1394 CG ARG A 93 3.102 16.802 13.677 1.00 61.00 C ATOM 1395 CD ARG A 93 3.438 17.301 12.280 1.00 11.45 C ATOM 1396 NE ARG A 93 4.002 18.648 12.302 1.00 54.53 N ATOM 1397 CZ ARG A 93 5.200 18.936 12.798 1.00 60.14 C ATOM 1398 NH1 ARG A 93 5.957 17.975 13.310 1.00 51.41 N ATOM 1399 NH2 ARG A 93 5.644 20.186 12.781 1.00 53.30 N ATOM 0 H ARG A 93 -0.845 16.792 15.380 1.00 10.13 H new ATOM 0 HA ARG A 93 1.760 15.405 15.455 1.00 44.44 H new ATOM 0 HB2 ARG A 93 1.038 16.539 13.178 1.00 62.03 H new ATOM 0 HB3 ARG A 93 1.388 18.036 14.020 1.00 62.03 H new ATOM 0 HG2 ARG A 93 3.695 17.347 14.412 1.00 61.00 H new ATOM 0 HG3 ARG A 93 3.375 15.750 13.764 1.00 61.00 H new ATOM 0 HD2 ARG A 93 4.147 16.618 11.812 1.00 11.45 H new ATOM 0 HD3 ARG A 93 2.537 17.295 11.666 1.00 11.45 H new ATOM 0 HE ARG A 93 3.445 19.410 11.915 1.00 54.53 H new ATOM 0 HH11 ARG A 93 5.620 17.013 13.323 1.00 51.41 H new ATOM 0 HH12 ARG A 93 6.877 18.198 13.690 1.00 51.41 H new ATOM 0 HH21 ARG A 93 5.065 20.928 12.387 1.00 53.30 H new ATOM 0 HH22 ARG A 93 6.564 20.406 13.162 1.00 53.30 H new ATOM 1413 N VAL A 94 0.913 18.460 16.433 1.00 70.31 N ATOM 1414 CA VAL A 94 1.123 19.452 17.481 1.00 61.43 C ATOM 1415 C VAL A 94 0.155 19.240 18.640 1.00 44.24 C ATOM 1416 O VAL A 94 0.497 19.475 19.798 1.00 53.51 O ATOM 1417 CB VAL A 94 0.954 20.884 16.940 1.00 61.22 C ATOM 1418 CG1 VAL A 94 1.145 21.902 18.054 1.00 71.50 C ATOM 1419 CG2 VAL A 94 1.928 21.141 15.799 1.00 33.45 C ATOM 0 H VAL A 94 0.283 18.760 15.689 1.00 70.31 H new ATOM 0 HA VAL A 94 2.145 19.325 17.837 1.00 61.43 H new ATOM 0 HB VAL A 94 -0.060 20.990 16.553 1.00 61.22 H new ATOM 0 HG11 VAL A 94 1.022 22.908 17.653 1.00 71.50 H new ATOM 0 HG12 VAL A 94 0.405 21.730 18.835 1.00 71.50 H new ATOM 0 HG13 VAL A 94 2.146 21.799 18.474 1.00 71.50 H new ATOM 0 HG21 VAL A 94 1.795 22.158 15.429 1.00 33.45 H new ATOM 0 HG22 VAL A 94 2.950 21.017 16.158 1.00 33.45 H new ATOM 0 HG23 VAL A 94 1.738 20.433 14.992 1.00 33.45 H new ATOM 1429 N GLY A 95 -1.055 18.794 18.319 1.00 73.32 N ATOM 1430 CA GLY A 95 -2.055 18.557 19.344 1.00 4.42 C ATOM 1431 C GLY A 95 -1.851 17.236 20.059 1.00 43.31 C ATOM 1432 O GLY A 95 -2.373 17.028 21.154 1.00 53.32 O ATOM 0 H GLY A 95 -1.361 18.592 17.367 1.00 73.32 H new ATOM 0 HA2 GLY A 95 -2.025 19.369 20.071 1.00 4.42 H new ATOM 0 HA3 GLY A 95 -3.046 18.572 18.891 1.00 4.42 H new TER 1436 GLY A 95