USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 18 THR OG1 : rot 180:sc= -0.0313 USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.108 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0319 (180deg=-0.282) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= 0.932 (180deg=-0.378!) USER MOD Single : A 29 SER OG : rot 68:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0388 (180deg=-0.211) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0538 (180deg=-0.322) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -11:sc= -4.42! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.03! C(o=-2!,f=-7.9!) USER MOD Single : A 50 SER OG : rot 120:sc= 0.376 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 52:sc= 0.762 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.18) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.681) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -81:sc= 0.19 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.06) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 90 HIS : no HE2:sc= 0.389 K(o=0.39,f=-4.6!) USER MOD Single : A 91 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.330 -2.243 -20.561 1.00 74.13 N ATOM 2 CA ALA A 1 2.574 -1.665 -20.020 1.00 42.21 C ATOM 3 C ALA A 1 3.319 -2.690 -19.182 1.00 12.41 C ATOM 4 O ALA A 1 2.754 -3.711 -18.784 1.00 42.12 O ATOM 5 CB ALA A 1 2.257 -0.435 -19.189 1.00 1.12 C ATOM 0 H1 ALA A 1 1.418 -2.353 -21.591 1.00 74.13 H new ATOM 0 H2 ALA A 1 1.161 -3.173 -20.126 1.00 74.13 H new ATOM 0 H3 ALA A 1 0.532 -1.611 -20.347 1.00 74.13 H new ATOM 0 HA ALA A 1 3.214 -1.373 -20.853 1.00 42.21 H new ATOM 0 HB1 ALA A 1 3.182 -0.015 -18.794 1.00 1.12 H new ATOM 0 HB2 ALA A 1 1.759 0.307 -19.813 1.00 1.12 H new ATOM 0 HB3 ALA A 1 1.602 -0.713 -18.363 1.00 1.12 H new ATOM 13 N GLY A 2 4.590 -2.424 -18.931 1.00 41.45 N ATOM 14 CA GLY A 2 5.390 -3.301 -18.103 1.00 41.13 C ATOM 15 C GLY A 2 5.585 -2.743 -16.708 1.00 2.30 C ATOM 16 O GLY A 2 5.317 -1.564 -16.460 1.00 2.22 O ATOM 0 H GLY A 2 5.086 -1.608 -19.290 1.00 41.45 H new ATOM 0 HA2 GLY A 2 4.909 -4.277 -18.039 1.00 41.13 H new ATOM 0 HA3 GLY A 2 6.362 -3.454 -18.571 1.00 41.13 H new ATOM 20 N GLU A 3 6.056 -3.587 -15.804 1.00 70.52 N ATOM 21 CA GLU A 3 6.279 -3.193 -14.423 1.00 72.35 C ATOM 22 C GLU A 3 7.745 -2.793 -14.236 1.00 5.25 C ATOM 23 O GLU A 3 8.597 -3.139 -15.058 1.00 2.04 O ATOM 24 CB GLU A 3 5.909 -4.354 -13.490 1.00 62.04 C ATOM 25 CG GLU A 3 5.089 -3.946 -12.273 1.00 41.41 C ATOM 26 CD GLU A 3 5.841 -3.021 -11.351 1.00 21.22 C ATOM 27 OE1 GLU A 3 6.769 -3.495 -10.669 1.00 73.53 O ATOM 28 OE2 GLU A 3 5.528 -1.815 -11.331 1.00 1.24 O ATOM 0 H GLU A 3 6.293 -4.558 -16.005 1.00 70.52 H new ATOM 0 HA GLU A 3 5.650 -2.337 -14.177 1.00 72.35 H new ATOM 0 HB2 GLU A 3 5.349 -5.096 -14.058 1.00 62.04 H new ATOM 0 HB3 GLU A 3 6.825 -4.837 -13.150 1.00 62.04 H new ATOM 0 HG2 GLU A 3 4.173 -3.457 -12.604 1.00 41.41 H new ATOM 0 HG3 GLU A 3 4.793 -4.839 -11.723 1.00 41.41 H new ATOM 35 N ILE A 4 8.030 -2.067 -13.164 1.00 32.14 N ATOM 36 CA ILE A 4 9.387 -1.612 -12.875 1.00 42.30 C ATOM 37 C ILE A 4 10.219 -2.781 -12.332 1.00 32.14 C ATOM 38 O ILE A 4 9.671 -3.807 -11.936 1.00 21.42 O ATOM 39 CB ILE A 4 9.382 -0.447 -11.850 1.00 51.31 C ATOM 40 CG1 ILE A 4 8.247 0.543 -12.155 1.00 72.42 C ATOM 41 CG2 ILE A 4 10.721 0.287 -11.847 1.00 34.15 C ATOM 42 CD1 ILE A 4 8.367 1.222 -13.505 1.00 64.21 C ATOM 0 H ILE A 4 7.336 -1.778 -12.475 1.00 32.14 H new ATOM 0 HA ILE A 4 9.830 -1.246 -13.801 1.00 42.30 H new ATOM 0 HB ILE A 4 9.219 -0.878 -10.862 1.00 51.31 H new ATOM 0 HG12 ILE A 4 7.295 0.014 -12.109 1.00 72.42 H new ATOM 0 HG13 ILE A 4 8.225 1.306 -11.377 1.00 72.42 H new ATOM 0 HG21 ILE A 4 10.690 1.098 -11.120 1.00 34.15 H new ATOM 0 HG22 ILE A 4 11.517 -0.409 -11.580 1.00 34.15 H new ATOM 0 HG23 ILE A 4 10.914 0.696 -12.839 1.00 34.15 H new ATOM 0 HD11 ILE A 4 7.529 1.905 -13.645 1.00 64.21 H new ATOM 0 HD12 ILE A 4 9.302 1.781 -13.549 1.00 64.21 H new ATOM 0 HD13 ILE A 4 8.357 0.469 -14.293 1.00 64.21 H new ATOM 54 N GLY A 5 11.534 -2.631 -12.325 1.00 43.44 N ATOM 55 CA GLY A 5 12.400 -3.704 -11.874 1.00 24.12 C ATOM 56 C GLY A 5 12.474 -3.801 -10.366 1.00 25.53 C ATOM 57 O GLY A 5 12.154 -4.845 -9.790 1.00 64.22 O ATOM 0 H GLY A 5 12.019 -1.785 -12.624 1.00 43.44 H new ATOM 0 HA2 GLY A 5 12.039 -4.650 -12.277 1.00 24.12 H new ATOM 0 HA3 GLY A 5 13.402 -3.549 -12.273 1.00 24.12 H new ATOM 61 N PHE A 6 12.887 -2.704 -9.740 1.00 34.22 N ATOM 62 CA PHE A 6 13.057 -2.614 -8.299 1.00 72.42 C ATOM 63 C PHE A 6 13.951 -3.718 -7.733 1.00 52.33 C ATOM 64 O PHE A 6 14.608 -4.458 -8.469 1.00 50.34 O ATOM 65 CB PHE A 6 11.695 -2.611 -7.623 1.00 31.42 C ATOM 66 CG PHE A 6 11.089 -1.241 -7.520 1.00 2.11 C ATOM 67 CD1 PHE A 6 11.481 -0.376 -6.511 1.00 45.15 C ATOM 68 CD2 PHE A 6 10.139 -0.813 -8.433 1.00 61.43 C ATOM 69 CE1 PHE A 6 10.936 0.890 -6.414 1.00 15.43 C ATOM 70 CE2 PHE A 6 9.593 0.454 -8.340 1.00 23.34 C ATOM 71 CZ PHE A 6 9.992 1.306 -7.330 1.00 65.42 C ATOM 0 H PHE A 6 13.116 -1.839 -10.230 1.00 34.22 H new ATOM 0 HA PHE A 6 13.570 -1.676 -8.087 1.00 72.42 H new ATOM 0 HB2 PHE A 6 11.019 -3.259 -8.180 1.00 31.42 H new ATOM 0 HB3 PHE A 6 11.792 -3.035 -6.623 1.00 31.42 H new ATOM 0 HD1 PHE A 6 12.221 -0.695 -5.792 1.00 45.15 H new ATOM 0 HD2 PHE A 6 9.822 -1.475 -9.225 1.00 61.43 H new ATOM 0 HE1 PHE A 6 11.249 1.554 -5.621 1.00 15.43 H new ATOM 0 HE2 PHE A 6 8.854 0.777 -9.058 1.00 23.34 H new ATOM 0 HZ PHE A 6 9.566 2.296 -7.257 1.00 65.42 H new ATOM 81 N ILE A 7 13.998 -3.791 -6.412 1.00 73.24 N ATOM 82 CA ILE A 7 14.830 -4.768 -5.724 1.00 74.22 C ATOM 83 C ILE A 7 14.161 -6.140 -5.720 1.00 43.20 C ATOM 84 O ILE A 7 14.710 -7.114 -6.239 1.00 75.21 O ATOM 85 CB ILE A 7 15.121 -4.326 -4.275 1.00 32.53 C ATOM 86 CG1 ILE A 7 15.726 -2.919 -4.267 1.00 51.14 C ATOM 87 CG2 ILE A 7 16.059 -5.312 -3.591 1.00 40.11 C ATOM 88 CD1 ILE A 7 15.958 -2.359 -2.881 1.00 73.00 C ATOM 0 H ILE A 7 13.466 -3.181 -5.791 1.00 73.24 H new ATOM 0 HA ILE A 7 15.774 -4.836 -6.264 1.00 74.22 H new ATOM 0 HB ILE A 7 14.182 -4.309 -3.721 1.00 32.53 H new ATOM 0 HG12 ILE A 7 16.675 -2.939 -4.803 1.00 51.14 H new ATOM 0 HG13 ILE A 7 15.065 -2.247 -4.814 1.00 51.14 H new ATOM 0 HG21 ILE A 7 16.252 -4.982 -2.570 1.00 40.11 H new ATOM 0 HG22 ILE A 7 15.598 -6.300 -3.573 1.00 40.11 H new ATOM 0 HG23 ILE A 7 16.999 -5.361 -4.140 1.00 40.11 H new ATOM 0 HD11 ILE A 7 16.388 -1.360 -2.959 1.00 73.00 H new ATOM 0 HD12 ILE A 7 15.009 -2.305 -2.347 1.00 73.00 H new ATOM 0 HD13 ILE A 7 16.644 -3.008 -2.337 1.00 73.00 H new ATOM 100 N ILE A 8 12.973 -6.214 -5.137 1.00 20.23 N ATOM 101 CA ILE A 8 12.216 -7.456 -5.107 1.00 0.35 C ATOM 102 C ILE A 8 11.319 -7.561 -6.337 1.00 3.23 C ATOM 103 O ILE A 8 10.600 -6.621 -6.677 1.00 43.35 O ATOM 104 CB ILE A 8 11.377 -7.570 -3.815 1.00 53.35 C ATOM 105 CG1 ILE A 8 12.308 -7.582 -2.600 1.00 62.21 C ATOM 106 CG2 ILE A 8 10.505 -8.820 -3.841 1.00 64.23 C ATOM 107 CD1 ILE A 8 11.587 -7.599 -1.270 1.00 33.03 C ATOM 0 H ILE A 8 12.513 -5.428 -4.678 1.00 20.23 H new ATOM 0 HA ILE A 8 12.926 -8.283 -5.118 1.00 0.35 H new ATOM 0 HB ILE A 8 10.714 -6.707 -3.747 1.00 53.35 H new ATOM 0 HG12 ILE A 8 12.956 -8.456 -2.661 1.00 62.21 H new ATOM 0 HG13 ILE A 8 12.952 -6.704 -2.641 1.00 62.21 H new ATOM 0 HG21 ILE A 8 9.924 -8.878 -2.921 1.00 64.23 H new ATOM 0 HG22 ILE A 8 9.829 -8.774 -4.695 1.00 64.23 H new ATOM 0 HG23 ILE A 8 11.138 -9.703 -3.926 1.00 64.23 H new ATOM 0 HD11 ILE A 8 12.317 -7.607 -0.461 1.00 33.03 H new ATOM 0 HD12 ILE A 8 10.960 -6.712 -1.185 1.00 33.03 H new ATOM 0 HD13 ILE A 8 10.964 -8.491 -1.205 1.00 33.03 H new ATOM 119 N LYS A 9 11.377 -8.708 -6.998 1.00 70.34 N ATOM 120 CA LYS A 9 10.679 -8.913 -8.255 1.00 24.30 C ATOM 121 C LYS A 9 9.232 -9.329 -8.023 1.00 71.34 C ATOM 122 O LYS A 9 8.853 -9.695 -6.910 1.00 74.15 O ATOM 123 CB LYS A 9 11.415 -9.974 -9.075 1.00 32.10 C ATOM 124 CG LYS A 9 12.847 -9.590 -9.401 1.00 51.14 C ATOM 125 CD LYS A 9 13.571 -10.690 -10.156 1.00 52.20 C ATOM 126 CE LYS A 9 14.995 -10.278 -10.497 1.00 15.20 C ATOM 127 NZ LYS A 9 15.032 -9.087 -11.383 1.00 50.44 N ATOM 0 H LYS A 9 11.907 -9.519 -6.678 1.00 70.34 H new ATOM 0 HA LYS A 9 10.665 -7.972 -8.804 1.00 24.30 H new ATOM 0 HB2 LYS A 9 11.414 -10.915 -8.524 1.00 32.10 H new ATOM 0 HB3 LYS A 9 10.872 -10.148 -10.004 1.00 32.10 H new ATOM 0 HG2 LYS A 9 12.851 -8.677 -9.997 1.00 51.14 H new ATOM 0 HG3 LYS A 9 13.383 -9.370 -8.478 1.00 51.14 H new ATOM 0 HD2 LYS A 9 13.587 -11.598 -9.554 1.00 52.20 H new ATOM 0 HD3 LYS A 9 13.028 -10.924 -11.072 1.00 52.20 H new ATOM 0 HE2 LYS A 9 15.540 -10.063 -9.578 1.00 15.20 H new ATOM 0 HE3 LYS A 9 15.506 -11.108 -10.984 1.00 15.20 H new ATOM 0 HZ1 LYS A 9 15.987 -8.980 -11.781 1.00 50.44 H new ATOM 0 HZ2 LYS A 9 14.346 -9.207 -12.155 1.00 50.44 H new ATOM 0 HZ3 LYS A 9 14.789 -8.238 -10.834 1.00 50.44 H new ATOM 141 N GLU A 10 8.436 -9.277 -9.083 1.00 44.04 N ATOM 142 CA GLU A 10 7.025 -9.617 -9.018 1.00 54.24 C ATOM 143 C GLU A 10 6.808 -11.115 -8.832 1.00 14.02 C ATOM 144 O GLU A 10 7.749 -11.906 -8.886 1.00 13.52 O ATOM 145 CB GLU A 10 6.334 -9.148 -10.292 1.00 32.54 C ATOM 146 CG GLU A 10 5.904 -7.697 -10.243 1.00 30.14 C ATOM 147 CD GLU A 10 4.794 -7.466 -9.243 1.00 71.21 C ATOM 148 OE1 GLU A 10 5.089 -7.244 -8.055 1.00 32.12 O ATOM 149 OE2 GLU A 10 3.614 -7.512 -9.651 1.00 75.43 O ATOM 0 H GLU A 10 8.753 -8.998 -10.011 1.00 44.04 H new ATOM 0 HA GLU A 10 6.596 -9.114 -8.151 1.00 54.24 H new ATOM 0 HB2 GLU A 10 7.008 -9.291 -11.136 1.00 32.54 H new ATOM 0 HB3 GLU A 10 5.459 -9.773 -10.473 1.00 32.54 H new ATOM 0 HG2 GLU A 10 6.760 -7.074 -9.984 1.00 30.14 H new ATOM 0 HG3 GLU A 10 5.571 -7.385 -11.233 1.00 30.14 H new ATOM 156 N GLY A 11 5.558 -11.491 -8.613 1.00 42.15 N ATOM 157 CA GLY A 11 5.215 -12.883 -8.440 1.00 54.23 C ATOM 158 C GLY A 11 3.786 -13.048 -7.980 1.00 43.44 C ATOM 159 O GLY A 11 2.913 -12.273 -8.371 1.00 63.53 O ATOM 0 H GLY A 11 4.769 -10.848 -8.552 1.00 42.15 H new ATOM 0 HA2 GLY A 11 5.359 -13.414 -9.381 1.00 54.23 H new ATOM 0 HA3 GLY A 11 5.887 -13.337 -7.712 1.00 54.23 H new ATOM 163 N ASP A 12 3.542 -14.052 -7.156 1.00 15.12 N ATOM 164 CA ASP A 12 2.216 -14.277 -6.602 1.00 24.23 C ATOM 165 C ASP A 12 2.259 -14.163 -5.091 1.00 53.33 C ATOM 166 O ASP A 12 1.230 -14.168 -4.420 1.00 12.44 O ATOM 167 CB ASP A 12 1.672 -15.641 -7.018 1.00 21.13 C ATOM 168 CG ASP A 12 1.382 -15.708 -8.502 1.00 43.32 C ATOM 169 OD1 ASP A 12 0.455 -15.009 -8.966 1.00 72.43 O ATOM 170 OD2 ASP A 12 2.091 -16.444 -9.218 1.00 3.13 O ATOM 0 H ASP A 12 4.245 -14.726 -6.855 1.00 15.12 H new ATOM 0 HA ASP A 12 1.545 -13.514 -6.997 1.00 24.23 H new ATOM 0 HB2 ASP A 12 2.393 -16.415 -6.754 1.00 21.13 H new ATOM 0 HB3 ASP A 12 0.760 -15.853 -6.461 1.00 21.13 H new ATOM 175 N GLU A 13 3.467 -14.069 -4.567 1.00 73.53 N ATOM 176 CA GLU A 13 3.678 -13.824 -3.152 1.00 34.24 C ATOM 177 C GLU A 13 4.153 -12.392 -2.956 1.00 51.51 C ATOM 178 O GLU A 13 4.381 -11.943 -1.841 1.00 4.20 O ATOM 179 CB GLU A 13 4.707 -14.803 -2.566 1.00 11.53 C ATOM 180 CG GLU A 13 6.092 -14.716 -3.200 1.00 51.02 C ATOM 181 CD GLU A 13 6.149 -15.327 -4.584 1.00 41.23 C ATOM 182 OE1 GLU A 13 5.851 -14.618 -5.570 1.00 64.42 O ATOM 183 OE2 GLU A 13 6.480 -16.525 -4.694 1.00 63.24 O ATOM 0 H GLU A 13 4.327 -14.160 -5.108 1.00 73.53 H new ATOM 0 HA GLU A 13 2.734 -13.977 -2.628 1.00 34.24 H new ATOM 0 HB2 GLU A 13 4.798 -14.617 -1.496 1.00 11.53 H new ATOM 0 HB3 GLU A 13 4.331 -15.819 -2.682 1.00 11.53 H new ATOM 0 HG2 GLU A 13 6.394 -13.670 -3.258 1.00 51.02 H new ATOM 0 HG3 GLU A 13 6.812 -15.221 -2.556 1.00 51.02 H new ATOM 190 N VAL A 14 4.297 -11.682 -4.062 1.00 1.02 N ATOM 191 CA VAL A 14 4.760 -10.306 -4.035 1.00 41.11 C ATOM 192 C VAL A 14 3.665 -9.371 -4.537 1.00 61.33 C ATOM 193 O VAL A 14 2.998 -9.662 -5.531 1.00 42.13 O ATOM 194 CB VAL A 14 6.025 -10.121 -4.900 1.00 63.43 C ATOM 195 CG1 VAL A 14 6.536 -8.691 -4.815 1.00 15.14 C ATOM 196 CG2 VAL A 14 7.109 -11.100 -4.479 1.00 43.52 C ATOM 0 H VAL A 14 4.098 -12.040 -4.996 1.00 1.02 H new ATOM 0 HA VAL A 14 5.007 -10.062 -3.002 1.00 41.11 H new ATOM 0 HB VAL A 14 5.759 -10.326 -5.937 1.00 63.43 H new ATOM 0 HG11 VAL A 14 7.428 -8.586 -5.433 1.00 15.14 H new ATOM 0 HG12 VAL A 14 5.765 -8.007 -5.171 1.00 15.14 H new ATOM 0 HG13 VAL A 14 6.782 -8.453 -3.780 1.00 15.14 H new ATOM 0 HG21 VAL A 14 7.993 -10.954 -5.100 1.00 43.52 H new ATOM 0 HG22 VAL A 14 7.368 -10.929 -3.434 1.00 43.52 H new ATOM 0 HG23 VAL A 14 6.745 -12.120 -4.600 1.00 43.52 H new ATOM 206 N ALA A 15 3.469 -8.266 -3.832 1.00 43.51 N ATOM 207 CA ALA A 15 2.497 -7.260 -4.228 1.00 14.23 C ATOM 208 C ALA A 15 3.117 -5.877 -4.122 1.00 2.33 C ATOM 209 O ALA A 15 3.790 -5.562 -3.138 1.00 72.44 O ATOM 210 CB ALA A 15 1.243 -7.345 -3.367 1.00 11.52 C ATOM 0 H ALA A 15 3.976 -8.043 -2.975 1.00 43.51 H new ATOM 0 HA ALA A 15 2.208 -7.445 -5.262 1.00 14.23 H new ATOM 0 HB1 ALA A 15 0.532 -6.582 -3.684 1.00 11.52 H new ATOM 0 HB2 ALA A 15 0.791 -8.331 -3.479 1.00 11.52 H new ATOM 0 HB3 ALA A 15 1.507 -7.183 -2.322 1.00 11.52 H new ATOM 216 N ASP A 16 2.909 -5.063 -5.138 1.00 1.43 N ATOM 217 CA ASP A 16 3.453 -3.715 -5.150 1.00 43.21 C ATOM 218 C ASP A 16 2.358 -2.694 -4.920 1.00 52.43 C ATOM 219 O ASP A 16 1.234 -2.848 -5.405 1.00 24.15 O ATOM 220 CB ASP A 16 4.153 -3.429 -6.473 1.00 62.41 C ATOM 221 CG ASP A 16 4.774 -2.047 -6.522 1.00 70.14 C ATOM 222 OD1 ASP A 16 5.909 -1.892 -6.024 1.00 71.40 O ATOM 223 OD2 ASP A 16 4.138 -1.123 -7.076 1.00 5.24 O ATOM 0 H ASP A 16 2.368 -5.309 -5.967 1.00 1.43 H new ATOM 0 HA ASP A 16 4.181 -3.640 -4.342 1.00 43.21 H new ATOM 0 HB2 ASP A 16 4.929 -4.177 -6.638 1.00 62.41 H new ATOM 0 HB3 ASP A 16 3.436 -3.529 -7.288 1.00 62.41 H new ATOM 228 N VAL A 17 2.686 -1.665 -4.167 1.00 23.21 N ATOM 229 CA VAL A 17 1.747 -0.592 -3.886 1.00 41.44 C ATOM 230 C VAL A 17 2.434 0.751 -4.032 1.00 53.40 C ATOM 231 O VAL A 17 3.461 1.016 -3.409 1.00 71.33 O ATOM 232 CB VAL A 17 1.153 -0.673 -2.466 1.00 20.50 C ATOM 233 CG1 VAL A 17 -0.033 0.269 -2.322 1.00 0.32 C ATOM 234 CG2 VAL A 17 0.756 -2.099 -2.102 1.00 3.12 C ATOM 0 H VAL A 17 3.602 -1.546 -3.734 1.00 23.21 H new ATOM 0 HA VAL A 17 0.935 -0.700 -4.605 1.00 41.44 H new ATOM 0 HB VAL A 17 1.930 -0.360 -1.768 1.00 20.50 H new ATOM 0 HG11 VAL A 17 -0.436 0.195 -1.312 1.00 0.32 H new ATOM 0 HG12 VAL A 17 0.291 1.293 -2.509 1.00 0.32 H new ATOM 0 HG13 VAL A 17 -0.805 -0.005 -3.041 1.00 0.32 H new ATOM 0 HG21 VAL A 17 0.342 -2.115 -1.094 1.00 3.12 H new ATOM 0 HG22 VAL A 17 0.008 -2.460 -2.808 1.00 3.12 H new ATOM 0 HG23 VAL A 17 1.634 -2.743 -2.144 1.00 3.12 H new ATOM 244 N THR A 18 1.856 1.591 -4.851 1.00 23.25 N ATOM 245 CA THR A 18 2.354 2.932 -5.052 1.00 12.23 C ATOM 246 C THR A 18 1.399 3.932 -4.415 1.00 52.53 C ATOM 247 O THR A 18 0.268 4.113 -4.872 1.00 35.42 O ATOM 248 CB THR A 18 2.524 3.234 -6.550 1.00 33.14 C ATOM 249 OG1 THR A 18 3.414 2.278 -7.141 1.00 31.41 O ATOM 250 CG2 THR A 18 3.071 4.635 -6.770 1.00 52.12 C ATOM 0 H THR A 18 1.026 1.367 -5.399 1.00 23.25 H new ATOM 0 HA THR A 18 3.332 3.017 -4.579 1.00 12.23 H new ATOM 0 HB THR A 18 1.543 3.168 -7.020 1.00 33.14 H new ATOM 0 HG1 THR A 18 3.517 2.474 -8.096 1.00 31.41 H new ATOM 0 HG21 THR A 18 3.180 4.819 -7.839 1.00 52.12 H new ATOM 0 HG22 THR A 18 2.383 5.365 -6.344 1.00 52.12 H new ATOM 0 HG23 THR A 18 4.043 4.727 -6.285 1.00 52.12 H new ATOM 258 N ILE A 19 1.848 4.564 -3.346 1.00 14.11 N ATOM 259 CA ILE A 19 0.992 5.441 -2.571 1.00 24.33 C ATOM 260 C ILE A 19 1.231 6.895 -2.946 1.00 15.25 C ATOM 261 O ILE A 19 2.361 7.298 -3.229 1.00 54.01 O ATOM 262 CB ILE A 19 1.236 5.268 -1.057 1.00 65.13 C ATOM 263 CG1 ILE A 19 1.294 3.782 -0.690 1.00 55.10 C ATOM 264 CG2 ILE A 19 0.149 5.969 -0.250 1.00 42.13 C ATOM 265 CD1 ILE A 19 1.693 3.524 0.748 1.00 44.25 C ATOM 0 H ILE A 19 2.802 4.486 -2.995 1.00 14.11 H new ATOM 0 HA ILE A 19 -0.039 5.169 -2.799 1.00 24.33 H new ATOM 0 HB ILE A 19 2.195 5.726 -0.813 1.00 65.13 H new ATOM 0 HG12 ILE A 19 0.317 3.334 -0.873 1.00 55.10 H new ATOM 0 HG13 ILE A 19 2.003 3.282 -1.350 1.00 55.10 H new ATOM 0 HG21 ILE A 19 0.342 5.834 0.814 1.00 42.13 H new ATOM 0 HG22 ILE A 19 0.149 7.033 -0.486 1.00 42.13 H new ATOM 0 HG23 ILE A 19 -0.822 5.542 -0.500 1.00 42.13 H new ATOM 0 HD11 ILE A 19 1.712 2.450 0.933 1.00 44.25 H new ATOM 0 HD12 ILE A 19 2.683 3.942 0.931 1.00 44.25 H new ATOM 0 HD13 ILE A 19 0.971 3.994 1.416 1.00 44.25 H new ATOM 277 N PHE A 20 0.158 7.661 -2.964 1.00 65.24 N ATOM 278 CA PHE A 20 0.232 9.094 -3.182 1.00 64.05 C ATOM 279 C PHE A 20 -0.434 9.806 -2.019 1.00 12.24 C ATOM 280 O PHE A 20 -1.477 9.367 -1.532 1.00 31.13 O ATOM 281 CB PHE A 20 -0.469 9.503 -4.476 1.00 35.31 C ATOM 282 CG PHE A 20 0.133 8.926 -5.728 1.00 73.34 C ATOM 283 CD1 PHE A 20 -0.173 7.639 -6.136 1.00 72.12 C ATOM 284 CD2 PHE A 20 1.002 9.680 -6.496 1.00 75.30 C ATOM 285 CE1 PHE A 20 0.377 7.114 -7.288 1.00 43.51 C ATOM 286 CE2 PHE A 20 1.556 9.160 -7.652 1.00 12.32 C ATOM 287 CZ PHE A 20 1.242 7.874 -8.047 1.00 14.42 C ATOM 0 H PHE A 20 -0.790 7.309 -2.828 1.00 65.24 H new ATOM 0 HA PHE A 20 1.283 9.371 -3.259 1.00 64.05 H new ATOM 0 HB2 PHE A 20 -1.514 9.199 -4.418 1.00 35.31 H new ATOM 0 HB3 PHE A 20 -0.457 10.590 -4.551 1.00 35.31 H new ATOM 0 HD1 PHE A 20 -0.850 7.039 -5.546 1.00 72.12 H new ATOM 0 HD2 PHE A 20 1.251 10.685 -6.190 1.00 75.30 H new ATOM 0 HE1 PHE A 20 0.130 6.108 -7.595 1.00 43.51 H new ATOM 0 HE2 PHE A 20 2.233 9.758 -8.244 1.00 12.32 H new ATOM 0 HZ PHE A 20 1.673 7.465 -8.949 1.00 14.42 H new ATOM 297 N ALA A 21 0.166 10.887 -1.570 1.00 14.20 N ATOM 298 CA ALA A 21 -0.400 11.667 -0.482 1.00 62.32 C ATOM 299 C ALA A 21 -0.229 13.157 -0.729 1.00 43.31 C ATOM 300 O ALA A 21 0.437 13.567 -1.679 1.00 15.24 O ATOM 301 CB ALA A 21 0.228 11.275 0.843 1.00 41.21 C ATOM 0 H ALA A 21 1.045 11.249 -1.939 1.00 14.20 H new ATOM 0 HA ALA A 21 -1.467 11.451 -0.438 1.00 62.32 H new ATOM 0 HB1 ALA A 21 -0.210 11.871 1.644 1.00 41.21 H new ATOM 0 HB2 ALA A 21 0.043 10.218 1.035 1.00 41.21 H new ATOM 0 HB3 ALA A 21 1.302 11.454 0.804 1.00 41.21 H new ATOM 307 N GLU A 22 -0.836 13.957 0.134 1.00 52.24 N ATOM 308 CA GLU A 22 -0.794 15.404 0.002 1.00 35.52 C ATOM 309 C GLU A 22 0.595 15.932 0.342 1.00 3.22 C ATOM 310 O GLU A 22 1.124 16.809 -0.341 1.00 72.02 O ATOM 311 CB GLU A 22 -1.838 16.037 0.924 1.00 65.44 C ATOM 312 CG GLU A 22 -3.212 15.387 0.833 1.00 45.15 C ATOM 313 CD GLU A 22 -3.865 15.547 -0.525 1.00 31.32 C ATOM 314 OE1 GLU A 22 -3.387 14.938 -1.502 1.00 2.33 O ATOM 315 OE2 GLU A 22 -4.872 16.279 -0.616 1.00 21.43 O ATOM 0 H GLU A 22 -1.367 13.625 0.939 1.00 52.24 H new ATOM 0 HA GLU A 22 -1.019 15.669 -1.031 1.00 35.52 H new ATOM 0 HB2 GLU A 22 -1.485 15.976 1.953 1.00 65.44 H new ATOM 0 HB3 GLU A 22 -1.930 17.096 0.681 1.00 65.44 H new ATOM 0 HG2 GLU A 22 -3.119 14.325 1.060 1.00 45.15 H new ATOM 0 HG3 GLU A 22 -3.862 15.820 1.594 1.00 45.15 H new ATOM 322 N THR A 23 1.184 15.387 1.398 1.00 32.53 N ATOM 323 CA THR A 23 2.507 15.808 1.829 1.00 34.24 C ATOM 324 C THR A 23 3.407 14.604 2.079 1.00 40.11 C ATOM 325 O THR A 23 2.933 13.470 2.172 1.00 61.42 O ATOM 326 CB THR A 23 2.442 16.664 3.112 1.00 4.11 C ATOM 327 OG1 THR A 23 1.723 15.968 4.137 1.00 30.34 O ATOM 328 CG2 THR A 23 1.780 18.008 2.844 1.00 14.21 C ATOM 0 H THR A 23 0.766 14.653 1.970 1.00 32.53 H new ATOM 0 HA THR A 23 2.924 16.413 1.024 1.00 34.24 H new ATOM 0 HB THR A 23 3.464 16.844 3.445 1.00 4.11 H new ATOM 0 HG1 THR A 23 1.690 16.520 4.946 1.00 30.34 H new ATOM 0 HG21 THR A 23 1.749 18.588 3.766 1.00 14.21 H new ATOM 0 HG22 THR A 23 2.352 18.552 2.092 1.00 14.21 H new ATOM 0 HG23 THR A 23 0.765 17.848 2.482 1.00 14.21 H new ATOM 336 N LYS A 24 4.704 14.869 2.185 1.00 61.43 N ATOM 337 CA LYS A 24 5.701 13.843 2.461 1.00 52.22 C ATOM 338 C LYS A 24 5.387 13.120 3.769 1.00 13.22 C ATOM 339 O LYS A 24 5.432 11.893 3.844 1.00 63.00 O ATOM 340 CB LYS A 24 7.086 14.504 2.519 1.00 42.42 C ATOM 341 CG LYS A 24 8.242 13.558 2.814 1.00 71.24 C ATOM 342 CD LYS A 24 8.537 13.475 4.302 1.00 50.44 C ATOM 343 CE LYS A 24 9.776 12.645 4.577 1.00 42.13 C ATOM 344 NZ LYS A 24 10.058 12.546 6.031 1.00 51.55 N ATOM 0 H LYS A 24 5.095 15.806 2.081 1.00 61.43 H new ATOM 0 HA LYS A 24 5.688 13.097 1.666 1.00 52.22 H new ATOM 0 HB2 LYS A 24 7.276 14.998 1.566 1.00 42.42 H new ATOM 0 HB3 LYS A 24 7.069 15.281 3.283 1.00 42.42 H new ATOM 0 HG2 LYS A 24 8.004 12.564 2.435 1.00 71.24 H new ATOM 0 HG3 LYS A 24 9.133 13.897 2.285 1.00 71.24 H new ATOM 0 HD2 LYS A 24 8.674 14.479 4.704 1.00 50.44 H new ATOM 0 HD3 LYS A 24 7.683 13.038 4.820 1.00 50.44 H new ATOM 0 HE2 LYS A 24 9.644 11.645 4.163 1.00 42.13 H new ATOM 0 HE3 LYS A 24 10.632 13.090 4.070 1.00 42.13 H new ATOM 0 HZ1 LYS A 24 10.647 11.709 6.214 1.00 51.55 H new ATOM 0 HZ2 LYS A 24 10.562 13.400 6.346 1.00 51.55 H new ATOM 0 HZ3 LYS A 24 9.163 12.460 6.553 1.00 51.55 H new ATOM 358 N ASP A 25 5.056 13.895 4.790 1.00 44.32 N ATOM 359 CA ASP A 25 4.728 13.341 6.103 1.00 20.24 C ATOM 360 C ASP A 25 3.449 12.511 6.041 1.00 42.30 C ATOM 361 O ASP A 25 3.346 11.453 6.667 1.00 50.55 O ATOM 362 CB ASP A 25 4.564 14.474 7.114 1.00 65.32 C ATOM 363 CG ASP A 25 4.280 13.983 8.520 1.00 2.41 C ATOM 364 OD1 ASP A 25 5.240 13.768 9.285 1.00 4.40 O ATOM 365 OD2 ASP A 25 3.091 13.845 8.876 1.00 71.14 O ATOM 0 H ASP A 25 5.006 14.912 4.739 1.00 44.32 H new ATOM 0 HA ASP A 25 5.544 12.689 6.416 1.00 20.24 H new ATOM 0 HB2 ASP A 25 5.471 15.078 7.123 1.00 65.32 H new ATOM 0 HB3 ASP A 25 3.751 15.125 6.792 1.00 65.32 H new ATOM 370 N ALA A 26 2.478 12.996 5.278 1.00 61.35 N ATOM 371 CA ALA A 26 1.227 12.272 5.085 1.00 20.14 C ATOM 372 C ALA A 26 1.480 10.956 4.360 1.00 31.24 C ATOM 373 O ALA A 26 0.864 9.937 4.665 1.00 63.31 O ATOM 374 CB ALA A 26 0.228 13.121 4.316 1.00 3.35 C ATOM 0 H ALA A 26 2.532 13.886 4.783 1.00 61.35 H new ATOM 0 HA ALA A 26 0.804 12.051 6.065 1.00 20.14 H new ATOM 0 HB1 ALA A 26 -0.698 12.562 4.183 1.00 3.35 H new ATOM 0 HB2 ALA A 26 0.023 14.036 4.873 1.00 3.35 H new ATOM 0 HB3 ALA A 26 0.642 13.375 3.340 1.00 3.35 H new ATOM 380 N LEU A 27 2.407 10.993 3.409 1.00 13.12 N ATOM 381 CA LEU A 27 2.821 9.823 2.669 1.00 62.12 C ATOM 382 C LEU A 27 3.328 8.760 3.633 1.00 23.55 C ATOM 383 O LEU A 27 2.914 7.601 3.585 1.00 60.13 O ATOM 384 CB LEU A 27 3.936 10.228 1.712 1.00 22.45 C ATOM 385 CG LEU A 27 4.110 9.327 0.507 1.00 43.30 C ATOM 386 CD1 LEU A 27 3.000 9.550 -0.503 1.00 64.14 C ATOM 387 CD2 LEU A 27 5.476 9.537 -0.124 1.00 2.01 C ATOM 0 H LEU A 27 2.892 11.847 3.133 1.00 13.12 H new ATOM 0 HA LEU A 27 1.979 9.415 2.109 1.00 62.12 H new ATOM 0 HB2 LEU A 27 3.743 11.242 1.363 1.00 22.45 H new ATOM 0 HB3 LEU A 27 4.875 10.255 2.264 1.00 22.45 H new ATOM 0 HG LEU A 27 4.048 8.292 0.843 1.00 43.30 H new ATOM 0 HD11 LEU A 27 3.149 8.891 -1.358 1.00 64.14 H new ATOM 0 HD12 LEU A 27 2.038 9.332 -0.040 1.00 64.14 H new ATOM 0 HD13 LEU A 27 3.015 10.587 -0.837 1.00 64.14 H new ATOM 0 HD21 LEU A 27 5.582 8.881 -0.988 1.00 2.01 H new ATOM 0 HD22 LEU A 27 5.574 10.575 -0.442 1.00 2.01 H new ATOM 0 HD23 LEU A 27 6.253 9.306 0.605 1.00 2.01 H new ATOM 399 N GLU A 28 4.223 9.188 4.514 1.00 73.00 N ATOM 400 CA GLU A 28 4.777 8.331 5.548 1.00 43.05 C ATOM 401 C GLU A 28 3.683 7.770 6.454 1.00 62.22 C ATOM 402 O GLU A 28 3.718 6.596 6.831 1.00 51.32 O ATOM 403 CB GLU A 28 5.774 9.126 6.382 1.00 51.52 C ATOM 404 CG GLU A 28 7.016 9.540 5.619 1.00 44.02 C ATOM 405 CD GLU A 28 8.002 10.278 6.495 1.00 34.43 C ATOM 406 OE1 GLU A 28 7.723 11.434 6.869 1.00 12.04 O ATOM 407 OE2 GLU A 28 9.064 9.711 6.819 1.00 63.25 O ATOM 0 H GLU A 28 4.584 10.142 4.530 1.00 73.00 H new ATOM 0 HA GLU A 28 5.277 7.492 5.064 1.00 43.05 H new ATOM 0 HB2 GLU A 28 5.281 10.019 6.767 1.00 51.52 H new ATOM 0 HB3 GLU A 28 6.071 8.528 7.244 1.00 51.52 H new ATOM 0 HG2 GLU A 28 7.495 8.655 5.200 1.00 44.02 H new ATOM 0 HG3 GLU A 28 6.731 10.175 4.780 1.00 44.02 H new ATOM 414 N SER A 29 2.713 8.614 6.789 1.00 43.53 N ATOM 415 CA SER A 29 1.622 8.226 7.672 1.00 71.23 C ATOM 416 C SER A 29 0.784 7.110 7.055 1.00 50.35 C ATOM 417 O SER A 29 0.492 6.105 7.710 1.00 55.43 O ATOM 418 CB SER A 29 0.743 9.441 7.974 1.00 12.23 C ATOM 419 OG SER A 29 1.515 10.498 8.522 1.00 1.24 O ATOM 0 H SER A 29 2.662 9.578 6.459 1.00 43.53 H new ATOM 0 HA SER A 29 2.050 7.850 8.601 1.00 71.23 H new ATOM 0 HB2 SER A 29 0.254 9.778 7.060 1.00 12.23 H new ATOM 0 HB3 SER A 29 -0.045 9.160 8.672 1.00 12.23 H new ATOM 0 HG SER A 29 2.121 10.850 7.837 1.00 1.24 H new ATOM 425 N GLU A 30 0.415 7.280 5.793 1.00 30.31 N ATOM 426 CA GLU A 30 -0.386 6.292 5.095 1.00 41.34 C ATOM 427 C GLU A 30 0.427 5.027 4.826 1.00 43.21 C ATOM 428 O GLU A 30 -0.101 3.917 4.880 1.00 74.41 O ATOM 429 CB GLU A 30 -0.924 6.878 3.792 1.00 4.35 C ATOM 430 CG GLU A 30 -2.441 7.006 3.765 1.00 14.42 C ATOM 431 CD GLU A 30 -2.983 7.848 4.906 1.00 33.04 C ATOM 432 OE1 GLU A 30 -3.090 9.084 4.746 1.00 3.12 O ATOM 433 OE2 GLU A 30 -3.317 7.277 5.969 1.00 31.23 O ATOM 0 H GLU A 30 0.660 8.096 5.233 1.00 30.31 H new ATOM 0 HA GLU A 30 -1.230 6.019 5.728 1.00 41.34 H new ATOM 0 HB2 GLU A 30 -0.481 7.862 3.635 1.00 4.35 H new ATOM 0 HB3 GLU A 30 -0.605 6.249 2.961 1.00 4.35 H new ATOM 0 HG2 GLU A 30 -2.746 7.448 2.817 1.00 14.42 H new ATOM 0 HG3 GLU A 30 -2.885 6.012 3.811 1.00 14.42 H new ATOM 440 N LEU A 31 1.716 5.202 4.552 1.00 44.05 N ATOM 441 CA LEU A 31 2.628 4.074 4.375 1.00 42.02 C ATOM 442 C LEU A 31 2.600 3.176 5.598 1.00 23.24 C ATOM 443 O LEU A 31 2.434 1.960 5.491 1.00 62.01 O ATOM 444 CB LEU A 31 4.056 4.571 4.164 1.00 33.13 C ATOM 445 CG LEU A 31 5.093 3.471 3.925 1.00 55.04 C ATOM 446 CD1 LEU A 31 4.816 2.737 2.621 1.00 74.23 C ATOM 447 CD2 LEU A 31 6.501 4.052 3.931 1.00 44.30 C ATOM 0 H LEU A 31 2.155 6.117 4.447 1.00 44.05 H new ATOM 0 HA LEU A 31 2.303 3.513 3.499 1.00 42.02 H new ATOM 0 HB2 LEU A 31 4.066 5.251 3.312 1.00 33.13 H new ATOM 0 HB3 LEU A 31 4.356 5.150 5.037 1.00 33.13 H new ATOM 0 HG LEU A 31 5.017 2.750 4.739 1.00 55.04 H new ATOM 0 HD11 LEU A 31 5.567 1.960 2.474 1.00 74.23 H new ATOM 0 HD12 LEU A 31 3.826 2.282 2.663 1.00 74.23 H new ATOM 0 HD13 LEU A 31 4.856 3.442 1.791 1.00 74.23 H new ATOM 0 HD21 LEU A 31 7.224 3.255 3.760 1.00 44.30 H new ATOM 0 HD22 LEU A 31 6.590 4.799 3.142 1.00 44.30 H new ATOM 0 HD23 LEU A 31 6.698 4.519 4.896 1.00 44.30 H new ATOM 459 N ALA A 32 2.762 3.798 6.757 1.00 22.55 N ATOM 460 CA ALA A 32 2.765 3.088 8.032 1.00 71.45 C ATOM 461 C ALA A 32 1.481 2.281 8.228 1.00 64.44 C ATOM 462 O ALA A 32 1.493 1.226 8.863 1.00 31.41 O ATOM 463 CB ALA A 32 2.956 4.069 9.179 1.00 61.00 C ATOM 0 H ALA A 32 2.895 4.806 6.842 1.00 22.55 H new ATOM 0 HA ALA A 32 3.598 2.386 8.022 1.00 71.45 H new ATOM 0 HB1 ALA A 32 2.956 3.527 10.125 1.00 61.00 H new ATOM 0 HB2 ALA A 32 3.906 4.589 9.058 1.00 61.00 H new ATOM 0 HB3 ALA A 32 2.142 4.794 9.177 1.00 61.00 H new ATOM 469 N LYS A 33 0.375 2.772 7.672 1.00 63.20 N ATOM 470 CA LYS A 33 -0.893 2.069 7.747 1.00 32.21 C ATOM 471 C LYS A 33 -0.845 0.785 6.925 1.00 15.12 C ATOM 472 O LYS A 33 -1.338 -0.257 7.359 1.00 0.13 O ATOM 473 CB LYS A 33 -2.024 2.966 7.247 1.00 54.22 C ATOM 474 CG LYS A 33 -2.232 4.224 8.073 1.00 65.33 C ATOM 475 CD LYS A 33 -2.579 3.894 9.515 1.00 72.15 C ATOM 476 CE LYS A 33 -2.872 5.145 10.327 1.00 43.22 C ATOM 477 NZ LYS A 33 -1.743 6.110 10.295 1.00 14.03 N ATOM 0 H LYS A 33 0.337 3.656 7.165 1.00 63.20 H new ATOM 0 HA LYS A 33 -1.080 1.808 8.789 1.00 32.21 H new ATOM 0 HB2 LYS A 33 -1.817 3.252 6.216 1.00 54.22 H new ATOM 0 HB3 LYS A 33 -2.951 2.393 7.239 1.00 54.22 H new ATOM 0 HG2 LYS A 33 -1.328 4.832 8.046 1.00 65.33 H new ATOM 0 HG3 LYS A 33 -3.031 4.821 7.633 1.00 65.33 H new ATOM 0 HD2 LYS A 33 -3.447 3.235 9.538 1.00 72.15 H new ATOM 0 HD3 LYS A 33 -1.753 3.350 9.972 1.00 72.15 H new ATOM 0 HE2 LYS A 33 -3.770 5.626 9.940 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -3.080 4.866 11.360 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -1.911 6.864 10.991 1.00 14.03 H new ATOM 0 HZ2 LYS A 33 -0.858 5.616 10.527 1.00 14.03 H new ATOM 0 HZ3 LYS A 33 -1.669 6.526 9.345 1.00 14.03 H new ATOM 491 N TYR A 34 -0.246 0.871 5.744 1.00 44.34 N ATOM 492 CA TYR A 34 -0.086 -0.290 4.876 1.00 62.33 C ATOM 493 C TYR A 34 0.900 -1.284 5.479 1.00 71.33 C ATOM 494 O TYR A 34 0.697 -2.496 5.398 1.00 4.13 O ATOM 495 CB TYR A 34 0.379 0.132 3.479 1.00 10.11 C ATOM 496 CG TYR A 34 -0.725 0.695 2.609 1.00 2.14 C ATOM 497 CD1 TYR A 34 -1.486 -0.140 1.801 1.00 40.54 C ATOM 498 CD2 TYR A 34 -1.003 2.056 2.588 1.00 31.11 C ATOM 499 CE1 TYR A 34 -2.493 0.362 1.000 1.00 24.00 C ATOM 500 CE2 TYR A 34 -2.010 2.567 1.789 1.00 24.21 C ATOM 501 CZ TYR A 34 -2.750 1.714 0.996 1.00 20.02 C ATOM 502 OH TYR A 34 -3.753 2.214 0.198 1.00 62.22 O ATOM 0 H TYR A 34 0.139 1.736 5.364 1.00 44.34 H new ATOM 0 HA TYR A 34 -1.058 -0.775 4.785 1.00 62.33 H new ATOM 0 HB2 TYR A 34 1.166 0.879 3.579 1.00 10.11 H new ATOM 0 HB3 TYR A 34 0.820 -0.730 2.978 1.00 10.11 H new ATOM 0 HD1 TYR A 34 -1.287 -1.201 1.799 1.00 40.54 H new ATOM 0 HD2 TYR A 34 -0.423 2.726 3.206 1.00 31.11 H new ATOM 0 HE1 TYR A 34 -3.076 -0.303 0.380 1.00 24.00 H new ATOM 0 HE2 TYR A 34 -2.216 3.627 1.786 1.00 24.21 H new ATOM 0 HH TYR A 34 -3.807 3.186 0.311 1.00 62.22 H new ATOM 512 N ILE A 35 1.963 -0.770 6.090 1.00 35.23 N ATOM 513 CA ILE A 35 2.941 -1.615 6.767 1.00 31.23 C ATOM 514 C ILE A 35 2.275 -2.388 7.903 1.00 12.12 C ATOM 515 O ILE A 35 2.505 -3.588 8.080 1.00 75.54 O ATOM 516 CB ILE A 35 4.119 -0.784 7.329 1.00 14.05 C ATOM 517 CG1 ILE A 35 4.834 -0.036 6.199 1.00 72.32 C ATOM 518 CG2 ILE A 35 5.098 -1.679 8.080 1.00 72.41 C ATOM 519 CD1 ILE A 35 5.948 0.871 6.678 1.00 31.52 C ATOM 0 H ILE A 35 2.169 0.228 6.130 1.00 35.23 H new ATOM 0 HA ILE A 35 3.336 -2.314 6.030 1.00 31.23 H new ATOM 0 HB ILE A 35 3.719 -0.051 8.030 1.00 14.05 H new ATOM 0 HG12 ILE A 35 5.245 -0.762 5.498 1.00 72.32 H new ATOM 0 HG13 ILE A 35 4.104 0.559 5.650 1.00 72.32 H new ATOM 0 HG21 ILE A 35 5.919 -1.076 8.467 1.00 72.41 H new ATOM 0 HG22 ILE A 35 4.584 -2.166 8.908 1.00 72.41 H new ATOM 0 HG23 ILE A 35 5.492 -2.436 7.402 1.00 72.41 H new ATOM 0 HD11 ILE A 35 6.407 1.366 5.822 1.00 31.52 H new ATOM 0 HD12 ILE A 35 5.540 1.621 7.356 1.00 31.52 H new ATOM 0 HD13 ILE A 35 6.699 0.279 7.201 1.00 31.52 H new ATOM 531 N GLU A 36 1.434 -1.690 8.658 1.00 73.11 N ATOM 532 CA GLU A 36 0.682 -2.298 9.744 1.00 64.13 C ATOM 533 C GLU A 36 -0.234 -3.399 9.221 1.00 71.03 C ATOM 534 O GLU A 36 -0.320 -4.484 9.805 1.00 31.54 O ATOM 535 CB GLU A 36 -0.140 -1.227 10.468 1.00 63.34 C ATOM 536 CG GLU A 36 0.275 -1.014 11.910 1.00 1.33 C ATOM 537 CD GLU A 36 0.152 -2.273 12.742 1.00 3.34 C ATOM 538 OE1 GLU A 36 -0.983 -2.644 13.102 1.00 4.21 O ATOM 539 OE2 GLU A 36 1.188 -2.904 13.028 1.00 42.33 O ATOM 0 H GLU A 36 1.257 -0.693 8.534 1.00 73.11 H new ATOM 0 HA GLU A 36 1.386 -2.747 10.445 1.00 64.13 H new ATOM 0 HB2 GLU A 36 -0.047 -0.284 9.929 1.00 63.34 H new ATOM 0 HB3 GLU A 36 -1.193 -1.508 10.440 1.00 63.34 H new ATOM 0 HG2 GLU A 36 1.306 -0.662 11.939 1.00 1.33 H new ATOM 0 HG3 GLU A 36 -0.342 -0.230 12.350 1.00 1.33 H new ATOM 546 N LEU A 37 -0.907 -3.112 8.115 1.00 51.31 N ATOM 547 CA LEU A 37 -1.790 -4.071 7.476 1.00 0.42 C ATOM 548 C LEU A 37 -1.001 -5.307 7.037 1.00 63.41 C ATOM 549 O LEU A 37 -1.468 -6.439 7.167 1.00 72.40 O ATOM 550 CB LEU A 37 -2.465 -3.407 6.270 1.00 61.14 C ATOM 551 CG LEU A 37 -3.900 -3.854 5.979 1.00 50.02 C ATOM 552 CD1 LEU A 37 -4.537 -2.947 4.938 1.00 75.22 C ATOM 553 CD2 LEU A 37 -3.938 -5.299 5.508 1.00 25.21 C ATOM 0 H LEU A 37 -0.855 -2.211 7.639 1.00 51.31 H new ATOM 0 HA LEU A 37 -2.554 -4.391 8.184 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -2.465 -2.328 6.426 1.00 61.14 H new ATOM 0 HB3 LEU A 37 -1.858 -3.601 5.386 1.00 61.14 H new ATOM 0 HG LEU A 37 -4.469 -3.783 6.906 1.00 50.02 H new ATOM 0 HD11 LEU A 37 -5.557 -3.278 4.742 1.00 75.22 H new ATOM 0 HD12 LEU A 37 -4.553 -1.922 5.309 1.00 75.22 H new ATOM 0 HD13 LEU A 37 -3.958 -2.990 4.015 1.00 75.22 H new ATOM 0 HD21 LEU A 37 -4.969 -5.590 5.309 1.00 25.21 H new ATOM 0 HD22 LEU A 37 -3.350 -5.400 4.596 1.00 25.21 H new ATOM 0 HD23 LEU A 37 -3.522 -5.945 6.281 1.00 25.21 H new ATOM 565 N ALA A 38 0.215 -5.077 6.558 1.00 3.21 N ATOM 566 CA ALA A 38 1.051 -6.149 6.033 1.00 63.43 C ATOM 567 C ALA A 38 1.554 -7.053 7.151 1.00 55.55 C ATOM 568 O ALA A 38 1.519 -8.277 7.035 1.00 32.44 O ATOM 569 CB ALA A 38 2.222 -5.573 5.254 1.00 73.34 C ATOM 0 H ALA A 38 0.646 -4.153 6.522 1.00 3.21 H new ATOM 0 HA ALA A 38 0.441 -6.752 5.360 1.00 63.43 H new ATOM 0 HB1 ALA A 38 2.837 -6.386 4.868 1.00 73.34 H new ATOM 0 HB2 ALA A 38 1.847 -4.975 4.423 1.00 73.34 H new ATOM 0 HB3 ALA A 38 2.822 -4.944 5.911 1.00 73.34 H new ATOM 575 N LYS A 39 2.013 -6.441 8.238 1.00 32.35 N ATOM 576 CA LYS A 39 2.529 -7.187 9.381 1.00 62.42 C ATOM 577 C LYS A 39 1.413 -7.918 10.115 1.00 21.11 C ATOM 578 O LYS A 39 1.658 -8.896 10.824 1.00 2.13 O ATOM 579 CB LYS A 39 3.268 -6.256 10.342 1.00 62.34 C ATOM 580 CG LYS A 39 4.655 -5.879 9.864 1.00 52.34 C ATOM 581 CD LYS A 39 5.332 -4.913 10.818 1.00 50.32 C ATOM 582 CE LYS A 39 6.809 -4.778 10.496 1.00 63.33 C ATOM 583 NZ LYS A 39 7.561 -6.024 10.797 1.00 52.21 N ATOM 0 H LYS A 39 2.038 -5.428 8.352 1.00 32.35 H new ATOM 0 HA LYS A 39 3.229 -7.931 9.001 1.00 62.42 H new ATOM 0 HB2 LYS A 39 2.680 -5.349 10.482 1.00 62.34 H new ATOM 0 HB3 LYS A 39 3.346 -6.738 11.316 1.00 62.34 H new ATOM 0 HG2 LYS A 39 5.263 -6.778 9.764 1.00 52.34 H new ATOM 0 HG3 LYS A 39 4.589 -5.427 8.874 1.00 52.34 H new ATOM 0 HD2 LYS A 39 4.851 -3.937 10.755 1.00 50.32 H new ATOM 0 HD3 LYS A 39 5.210 -5.263 11.843 1.00 50.32 H new ATOM 0 HE2 LYS A 39 6.929 -4.528 9.442 1.00 63.33 H new ATOM 0 HE3 LYS A 39 7.231 -3.953 11.069 1.00 63.33 H new ATOM 0 HZ1 LYS A 39 8.577 -5.810 10.859 1.00 52.21 H new ATOM 0 HZ2 LYS A 39 7.234 -6.417 11.703 1.00 52.21 H new ATOM 0 HZ3 LYS A 39 7.399 -6.719 10.040 1.00 52.21 H new ATOM 597 N SER A 40 0.191 -7.437 9.946 1.00 31.52 N ATOM 598 CA SER A 40 -0.967 -8.076 10.542 1.00 40.12 C ATOM 599 C SER A 40 -1.291 -9.367 9.791 1.00 44.23 C ATOM 600 O SER A 40 -1.886 -10.288 10.349 1.00 3.14 O ATOM 601 CB SER A 40 -2.168 -7.121 10.524 1.00 40.01 C ATOM 602 OG SER A 40 -3.260 -7.637 11.269 1.00 41.03 O ATOM 0 H SER A 40 -0.023 -6.603 9.399 1.00 31.52 H new ATOM 0 HA SER A 40 -0.744 -8.324 11.580 1.00 40.12 H new ATOM 0 HB2 SER A 40 -1.871 -6.156 10.934 1.00 40.01 H new ATOM 0 HB3 SER A 40 -2.480 -6.948 9.494 1.00 40.01 H new ATOM 0 HG SER A 40 -4.006 -7.003 11.237 1.00 41.03 H new ATOM 608 N VAL A 41 -0.874 -9.436 8.533 1.00 24.31 N ATOM 609 CA VAL A 41 -1.107 -10.617 7.715 1.00 14.53 C ATOM 610 C VAL A 41 0.100 -11.553 7.751 1.00 13.14 C ATOM 611 O VAL A 41 -0.047 -12.757 7.957 1.00 11.11 O ATOM 612 CB VAL A 41 -1.420 -10.237 6.251 1.00 23.23 C ATOM 613 CG1 VAL A 41 -1.641 -11.482 5.402 1.00 21.25 C ATOM 614 CG2 VAL A 41 -2.634 -9.322 6.185 1.00 31.55 C ATOM 0 H VAL A 41 -0.372 -8.686 8.057 1.00 24.31 H new ATOM 0 HA VAL A 41 -1.972 -11.132 8.134 1.00 14.53 H new ATOM 0 HB VAL A 41 -0.561 -9.701 5.848 1.00 23.23 H new ATOM 0 HG11 VAL A 41 -1.860 -11.188 4.375 1.00 21.25 H new ATOM 0 HG12 VAL A 41 -0.742 -12.098 5.419 1.00 21.25 H new ATOM 0 HG13 VAL A 41 -2.479 -12.052 5.803 1.00 21.25 H new ATOM 0 HG21 VAL A 41 -2.840 -9.065 5.146 1.00 31.55 H new ATOM 0 HG22 VAL A 41 -3.498 -9.833 6.610 1.00 31.55 H new ATOM 0 HG23 VAL A 41 -2.435 -8.412 6.752 1.00 31.55 H new ATOM 624 N CYS A 42 1.289 -10.994 7.570 1.00 30.35 N ATOM 625 CA CYS A 42 2.498 -11.780 7.503 1.00 43.45 C ATOM 626 C CYS A 42 3.600 -11.159 8.351 1.00 1.55 C ATOM 627 O CYS A 42 3.824 -9.949 8.315 1.00 31.45 O ATOM 628 CB CYS A 42 2.956 -11.887 6.051 1.00 73.34 C ATOM 629 SG CYS A 42 2.989 -10.302 5.187 1.00 60.41 S ATOM 0 H CYS A 42 1.435 -9.990 7.467 1.00 30.35 H new ATOM 0 HA CYS A 42 2.288 -12.775 7.896 1.00 43.45 H new ATOM 0 HB2 CYS A 42 3.953 -12.327 6.024 1.00 73.34 H new ATOM 0 HB3 CYS A 42 2.292 -12.568 5.518 1.00 73.34 H new ATOM 0 HG CYS A 42 2.386 -9.403 5.907 1.00 60.41 H new ATOM 635 N ALA A 43 4.266 -11.995 9.124 1.00 63.25 N ATOM 636 CA ALA A 43 5.412 -11.568 9.911 1.00 50.15 C ATOM 637 C ALA A 43 6.696 -11.722 9.102 1.00 0.21 C ATOM 638 O ALA A 43 7.687 -11.031 9.345 1.00 73.33 O ATOM 639 CB ALA A 43 5.498 -12.368 11.203 1.00 33.23 C ATOM 0 H ALA A 43 4.032 -12.983 9.226 1.00 63.25 H new ATOM 0 HA ALA A 43 5.286 -10.516 10.166 1.00 50.15 H new ATOM 0 HB1 ALA A 43 6.361 -12.036 11.780 1.00 33.23 H new ATOM 0 HB2 ALA A 43 4.590 -12.215 11.787 1.00 33.23 H new ATOM 0 HB3 ALA A 43 5.604 -13.427 10.969 1.00 33.23 H new ATOM 645 N GLY A 44 6.663 -12.621 8.125 1.00 70.31 N ATOM 646 CA GLY A 44 7.826 -12.869 7.294 1.00 11.13 C ATOM 647 C GLY A 44 7.756 -12.113 5.988 1.00 44.03 C ATOM 648 O GLY A 44 7.927 -12.688 4.912 1.00 4.03 O ATOM 0 H GLY A 44 5.846 -13.186 7.893 1.00 70.31 H new ATOM 0 HA2 GLY A 44 8.727 -12.578 7.834 1.00 11.13 H new ATOM 0 HA3 GLY A 44 7.907 -13.937 7.092 1.00 11.13 H new ATOM 652 N VAL A 45 7.481 -10.823 6.088 1.00 52.02 N ATOM 653 CA VAL A 45 7.362 -9.967 4.923 1.00 34.22 C ATOM 654 C VAL A 45 8.594 -9.073 4.757 1.00 12.00 C ATOM 655 O VAL A 45 9.075 -8.470 5.721 1.00 42.54 O ATOM 656 CB VAL A 45 6.086 -9.094 5.026 1.00 21.34 C ATOM 657 CG1 VAL A 45 6.145 -8.164 6.233 1.00 65.22 C ATOM 658 CG2 VAL A 45 5.855 -8.303 3.746 1.00 41.54 C ATOM 0 H VAL A 45 7.335 -10.343 6.976 1.00 52.02 H new ATOM 0 HA VAL A 45 7.289 -10.609 4.045 1.00 34.22 H new ATOM 0 HB VAL A 45 5.240 -9.768 5.164 1.00 21.34 H new ATOM 0 HG11 VAL A 45 5.235 -7.566 6.276 1.00 65.22 H new ATOM 0 HG12 VAL A 45 6.234 -8.756 7.144 1.00 65.22 H new ATOM 0 HG13 VAL A 45 7.009 -7.505 6.143 1.00 65.22 H new ATOM 0 HG21 VAL A 45 4.953 -7.700 3.849 1.00 41.54 H new ATOM 0 HG22 VAL A 45 6.709 -7.650 3.563 1.00 41.54 H new ATOM 0 HG23 VAL A 45 5.738 -8.991 2.909 1.00 41.54 H new ATOM 668 N GLU A 46 9.122 -9.015 3.543 1.00 42.41 N ATOM 669 CA GLU A 46 10.170 -8.058 3.216 1.00 12.54 C ATOM 670 C GLU A 46 9.569 -6.934 2.390 1.00 2.43 C ATOM 671 O GLU A 46 8.811 -7.187 1.459 1.00 74.45 O ATOM 672 CB GLU A 46 11.316 -8.704 2.426 1.00 55.44 C ATOM 673 CG GLU A 46 12.026 -9.842 3.142 1.00 13.34 C ATOM 674 CD GLU A 46 11.408 -11.193 2.855 1.00 55.03 C ATOM 675 OE1 GLU A 46 11.398 -11.606 1.679 1.00 53.52 O ATOM 676 OE2 GLU A 46 10.948 -11.859 3.802 1.00 70.14 O ATOM 0 H GLU A 46 8.843 -9.618 2.769 1.00 42.41 H new ATOM 0 HA GLU A 46 10.583 -7.679 4.151 1.00 12.54 H new ATOM 0 HB2 GLU A 46 10.921 -9.079 1.482 1.00 55.44 H new ATOM 0 HB3 GLU A 46 12.048 -7.935 2.182 1.00 55.44 H new ATOM 0 HG2 GLU A 46 13.074 -9.856 2.842 1.00 13.34 H new ATOM 0 HG3 GLU A 46 12.004 -9.659 4.216 1.00 13.34 H new ATOM 683 N TYR A 47 9.888 -5.698 2.720 1.00 14.04 N ATOM 684 CA TYR A 47 9.343 -4.579 1.974 1.00 30.20 C ATOM 685 C TYR A 47 10.418 -3.593 1.555 1.00 23.32 C ATOM 686 O TYR A 47 11.340 -3.283 2.314 1.00 64.43 O ATOM 687 CB TYR A 47 8.236 -3.864 2.763 1.00 14.24 C ATOM 688 CG TYR A 47 8.578 -3.567 4.209 1.00 2.11 C ATOM 689 CD1 TYR A 47 9.261 -2.409 4.561 1.00 31.22 C ATOM 690 CD2 TYR A 47 8.214 -4.446 5.223 1.00 3.41 C ATOM 691 CE1 TYR A 47 9.570 -2.133 5.878 1.00 25.23 C ATOM 692 CE2 TYR A 47 8.518 -4.178 6.544 1.00 23.12 C ATOM 693 CZ TYR A 47 9.198 -3.020 6.867 1.00 55.34 C ATOM 694 OH TYR A 47 9.505 -2.747 8.183 1.00 12.32 O ATOM 0 H TYR A 47 10.511 -5.444 3.487 1.00 14.04 H new ATOM 0 HA TYR A 47 8.905 -4.994 1.067 1.00 30.20 H new ATOM 0 HB2 TYR A 47 7.998 -2.926 2.260 1.00 14.24 H new ATOM 0 HB3 TYR A 47 7.335 -4.477 2.736 1.00 14.24 H new ATOM 0 HD1 TYR A 47 9.555 -1.712 3.790 1.00 31.22 H new ATOM 0 HD2 TYR A 47 7.685 -5.354 4.974 1.00 3.41 H new ATOM 0 HE1 TYR A 47 10.100 -1.227 6.133 1.00 25.23 H new ATOM 0 HE2 TYR A 47 8.225 -4.870 7.320 1.00 23.12 H new ATOM 0 HH TYR A 47 9.172 -3.471 8.754 1.00 12.32 H new ATOM 704 N ASN A 48 10.294 -3.117 0.329 1.00 31.03 N ATOM 705 CA ASN A 48 11.172 -2.078 -0.185 1.00 61.13 C ATOM 706 C ASN A 48 10.394 -0.786 -0.286 1.00 74.22 C ATOM 707 O ASN A 48 9.173 -0.798 -0.437 1.00 42.34 O ATOM 708 CB ASN A 48 11.732 -2.400 -1.572 1.00 61.44 C ATOM 709 CG ASN A 48 12.361 -3.776 -1.694 1.00 74.54 C ATOM 710 OD1 ASN A 48 12.283 -4.406 -2.748 1.00 74.35 O ATOM 711 ND2 ASN A 48 13.005 -4.244 -0.635 1.00 63.43 N ATOM 0 H ASN A 48 9.588 -3.436 -0.335 1.00 31.03 H new ATOM 0 HA ASN A 48 12.011 -2.000 0.506 1.00 61.13 H new ATOM 0 HB2 ASN A 48 10.928 -2.316 -2.303 1.00 61.44 H new ATOM 0 HB3 ASN A 48 12.478 -1.649 -1.832 1.00 61.44 H new ATOM 0 HD21 ASN A 48 13.458 -5.157 -0.676 1.00 63.43 H new ATOM 0 HD22 ASN A 48 13.048 -3.691 0.221 1.00 63.43 H new ATOM 718 N VAL A 49 11.110 0.314 -0.228 1.00 21.34 N ATOM 719 CA VAL A 49 10.520 1.640 -0.298 1.00 0.21 C ATOM 720 C VAL A 49 11.464 2.548 -1.068 1.00 62.30 C ATOM 721 O VAL A 49 12.679 2.484 -0.874 1.00 34.54 O ATOM 722 CB VAL A 49 10.266 2.248 1.109 1.00 60.31 C ATOM 723 CG1 VAL A 49 9.610 3.617 1.002 1.00 3.42 C ATOM 724 CG2 VAL A 49 9.414 1.324 1.973 1.00 11.13 C ATOM 0 H VAL A 49 12.125 0.318 -0.130 1.00 21.34 H new ATOM 0 HA VAL A 49 9.555 1.555 -0.797 1.00 0.21 H new ATOM 0 HB VAL A 49 11.237 2.363 1.590 1.00 60.31 H new ATOM 0 HG11 VAL A 49 9.443 4.020 2.001 1.00 3.42 H new ATOM 0 HG12 VAL A 49 10.261 4.290 0.443 1.00 3.42 H new ATOM 0 HG13 VAL A 49 8.655 3.523 0.485 1.00 3.42 H new ATOM 0 HG21 VAL A 49 9.257 1.782 2.950 1.00 11.13 H new ATOM 0 HG22 VAL A 49 8.451 1.160 1.490 1.00 11.13 H new ATOM 0 HG23 VAL A 49 9.925 0.369 2.098 1.00 11.13 H new ATOM 734 N SER A 50 10.919 3.362 -1.957 1.00 4.32 N ATOM 735 CA SER A 50 11.723 4.314 -2.704 1.00 53.20 C ATOM 736 C SER A 50 12.308 5.378 -1.782 1.00 11.11 C ATOM 737 O SER A 50 12.025 5.405 -0.580 1.00 61.42 O ATOM 738 CB SER A 50 10.881 4.966 -3.798 1.00 55.43 C ATOM 739 OG SER A 50 9.560 5.225 -3.341 1.00 11.40 O ATOM 0 H SER A 50 9.924 3.382 -2.179 1.00 4.32 H new ATOM 0 HA SER A 50 12.550 3.775 -3.166 1.00 53.20 H new ATOM 0 HB2 SER A 50 11.349 5.898 -4.114 1.00 55.43 H new ATOM 0 HB3 SER A 50 10.846 4.314 -4.671 1.00 55.43 H new ATOM 0 HG SER A 50 9.379 6.187 -3.392 1.00 11.40 H new ATOM 745 N GLU A 51 13.119 6.250 -2.349 1.00 62.33 N ATOM 746 CA GLU A 51 13.750 7.306 -1.573 1.00 40.12 C ATOM 747 C GLU A 51 12.769 8.449 -1.342 1.00 24.15 C ATOM 748 O GLU A 51 11.994 8.807 -2.230 1.00 13.43 O ATOM 749 CB GLU A 51 15.021 7.816 -2.267 1.00 61.03 C ATOM 750 CG GLU A 51 14.785 8.399 -3.651 1.00 52.24 C ATOM 751 CD GLU A 51 16.043 8.985 -4.256 1.00 23.42 C ATOM 752 OE1 GLU A 51 16.518 10.026 -3.755 1.00 22.14 O ATOM 753 OE2 GLU A 51 16.555 8.416 -5.244 1.00 5.21 O ATOM 0 H GLU A 51 13.357 6.251 -3.341 1.00 62.33 H new ATOM 0 HA GLU A 51 14.039 6.893 -0.607 1.00 40.12 H new ATOM 0 HB2 GLU A 51 15.484 8.577 -1.639 1.00 61.03 H new ATOM 0 HB3 GLU A 51 15.732 6.994 -2.348 1.00 61.03 H new ATOM 0 HG2 GLU A 51 14.398 7.620 -4.308 1.00 52.24 H new ATOM 0 HG3 GLU A 51 14.020 9.173 -3.590 1.00 52.24 H new ATOM 760 N LEU A 52 12.787 8.997 -0.141 1.00 44.11 N ATOM 761 CA LEU A 52 11.907 10.092 0.206 1.00 73.15 C ATOM 762 C LEU A 52 12.642 11.416 0.064 1.00 44.03 C ATOM 763 O LEU A 52 13.843 11.497 0.319 1.00 42.31 O ATOM 764 CB LEU A 52 11.393 9.919 1.635 1.00 61.42 C ATOM 765 CG LEU A 52 10.554 8.661 1.876 1.00 73.31 C ATOM 766 CD1 LEU A 52 10.139 8.570 3.336 1.00 14.20 C ATOM 767 CD2 LEU A 52 9.327 8.653 0.976 1.00 40.34 C ATOM 0 H LEU A 52 13.406 8.698 0.613 1.00 44.11 H new ATOM 0 HA LEU A 52 11.055 10.091 -0.473 1.00 73.15 H new ATOM 0 HB2 LEU A 52 12.247 9.903 2.312 1.00 61.42 H new ATOM 0 HB3 LEU A 52 10.795 10.792 1.898 1.00 61.42 H new ATOM 0 HG LEU A 52 11.165 7.791 1.633 1.00 73.31 H new ATOM 0 HD11 LEU A 52 9.543 7.670 3.490 1.00 14.20 H new ATOM 0 HD12 LEU A 52 11.028 8.528 3.965 1.00 14.20 H new ATOM 0 HD13 LEU A 52 9.547 9.446 3.601 1.00 14.20 H new ATOM 0 HD21 LEU A 52 8.745 7.751 1.163 1.00 40.34 H new ATOM 0 HD22 LEU A 52 8.715 9.530 1.187 1.00 40.34 H new ATOM 0 HD23 LEU A 52 9.641 8.672 -0.068 1.00 40.34 H new ATOM 779 N THR A 53 11.928 12.443 -0.356 1.00 44.54 N ATOM 780 CA THR A 53 12.517 13.754 -0.529 1.00 73.11 C ATOM 781 C THR A 53 11.661 14.806 0.160 1.00 15.02 C ATOM 782 O THR A 53 10.751 14.474 0.917 1.00 54.54 O ATOM 783 CB THR A 53 12.688 14.105 -2.023 1.00 31.13 C ATOM 784 OG1 THR A 53 11.458 13.901 -2.731 1.00 72.23 O ATOM 785 CG2 THR A 53 13.789 13.267 -2.660 1.00 63.51 C ATOM 0 H THR A 53 10.935 12.392 -0.584 1.00 44.54 H new ATOM 0 HA THR A 53 13.507 13.739 -0.074 1.00 73.11 H new ATOM 0 HB THR A 53 12.969 15.156 -2.086 1.00 31.13 H new ATOM 0 HG1 THR A 53 11.583 14.129 -3.676 1.00 72.23 H new ATOM 0 HG21 THR A 53 13.888 13.535 -3.712 1.00 63.51 H new ATOM 0 HG22 THR A 53 14.732 13.455 -2.147 1.00 63.51 H new ATOM 0 HG23 THR A 53 13.536 12.210 -2.577 1.00 63.51 H new ATOM 793 N GLU A 54 11.952 16.067 -0.102 1.00 54.41 N ATOM 794 CA GLU A 54 11.226 17.162 0.510 1.00 13.25 C ATOM 795 C GLU A 54 9.770 17.182 0.055 1.00 13.34 C ATOM 796 O GLU A 54 8.866 17.466 0.838 1.00 10.13 O ATOM 797 CB GLU A 54 11.907 18.474 0.144 1.00 55.30 C ATOM 798 CG GLU A 54 13.347 18.555 0.614 1.00 51.23 C ATOM 799 CD GLU A 54 14.080 19.733 0.022 1.00 55.25 C ATOM 800 OE1 GLU A 54 13.798 20.878 0.432 1.00 54.40 O ATOM 801 OE2 GLU A 54 14.941 19.521 -0.854 1.00 31.21 O ATOM 0 H GLU A 54 12.692 16.359 -0.740 1.00 54.41 H new ATOM 0 HA GLU A 54 11.233 17.028 1.592 1.00 13.25 H new ATOM 0 HB2 GLU A 54 11.878 18.601 -0.938 1.00 55.30 H new ATOM 0 HB3 GLU A 54 11.344 19.301 0.577 1.00 55.30 H new ATOM 0 HG2 GLU A 54 13.368 18.627 1.701 1.00 51.23 H new ATOM 0 HG3 GLU A 54 13.866 17.635 0.345 1.00 51.23 H new ATOM 808 N GLU A 55 9.544 16.879 -1.213 1.00 51.14 N ATOM 809 CA GLU A 55 8.211 16.950 -1.780 1.00 3.23 C ATOM 810 C GLU A 55 7.765 15.610 -2.345 1.00 5.53 C ATOM 811 O GLU A 55 6.976 15.567 -3.288 1.00 10.40 O ATOM 812 CB GLU A 55 8.176 18.004 -2.881 1.00 53.43 C ATOM 813 CG GLU A 55 8.401 19.418 -2.384 1.00 22.13 C ATOM 814 CD GLU A 55 8.334 20.431 -3.504 1.00 5.45 C ATOM 815 OE1 GLU A 55 7.221 20.894 -3.823 1.00 15.15 O ATOM 816 OE2 GLU A 55 9.395 20.761 -4.071 1.00 65.52 O ATOM 0 H GLU A 55 10.268 16.582 -1.868 1.00 51.14 H new ATOM 0 HA GLU A 55 7.524 17.222 -0.979 1.00 3.23 H new ATOM 0 HB2 GLU A 55 8.937 17.765 -3.624 1.00 53.43 H new ATOM 0 HB3 GLU A 55 7.211 17.956 -3.386 1.00 53.43 H new ATOM 0 HG2 GLU A 55 7.651 19.661 -1.631 1.00 22.13 H new ATOM 0 HG3 GLU A 55 9.374 19.480 -1.897 1.00 22.13 H new ATOM 823 N SER A 56 8.255 14.514 -1.773 1.00 13.40 N ATOM 824 CA SER A 56 7.828 13.195 -2.214 1.00 41.42 C ATOM 825 C SER A 56 6.358 12.975 -1.901 1.00 74.42 C ATOM 826 O SER A 56 5.987 12.660 -0.771 1.00 62.11 O ATOM 827 CB SER A 56 8.678 12.093 -1.587 1.00 25.14 C ATOM 828 OG SER A 56 9.071 12.433 -0.270 1.00 31.14 O ATOM 0 H SER A 56 8.937 14.514 -1.015 1.00 13.40 H new ATOM 0 HA SER A 56 7.966 13.148 -3.294 1.00 41.42 H new ATOM 0 HB2 SER A 56 8.114 11.160 -1.571 1.00 25.14 H new ATOM 0 HB3 SER A 56 9.563 11.920 -2.200 1.00 25.14 H new ATOM 0 HG SER A 56 8.281 12.684 0.253 1.00 31.14 H new ATOM 834 N LYS A 57 5.531 13.183 -2.909 1.00 12.51 N ATOM 835 CA LYS A 57 4.101 12.987 -2.785 1.00 34.40 C ATOM 836 C LYS A 57 3.720 11.613 -3.315 1.00 71.11 C ATOM 837 O LYS A 57 2.543 11.265 -3.385 1.00 74.04 O ATOM 838 CB LYS A 57 3.354 14.090 -3.540 1.00 52.43 C ATOM 839 CG LYS A 57 3.637 15.481 -2.994 1.00 1.21 C ATOM 840 CD LYS A 57 3.066 16.573 -3.885 1.00 50.55 C ATOM 841 CE LYS A 57 3.347 17.952 -3.310 1.00 52.30 C ATOM 842 NZ LYS A 57 2.830 19.039 -4.181 1.00 43.55 N ATOM 0 H LYS A 57 5.832 13.492 -3.833 1.00 12.51 H new ATOM 0 HA LYS A 57 3.819 13.041 -1.734 1.00 34.40 H new ATOM 0 HB2 LYS A 57 3.634 14.055 -4.593 1.00 52.43 H new ATOM 0 HB3 LYS A 57 2.283 13.896 -3.488 1.00 52.43 H new ATOM 0 HG2 LYS A 57 3.212 15.571 -1.994 1.00 1.21 H new ATOM 0 HG3 LYS A 57 4.714 15.619 -2.897 1.00 1.21 H new ATOM 0 HD2 LYS A 57 3.499 16.496 -4.882 1.00 50.55 H new ATOM 0 HD3 LYS A 57 1.990 16.433 -3.993 1.00 50.55 H new ATOM 0 HE2 LYS A 57 2.892 18.032 -2.323 1.00 52.30 H new ATOM 0 HE3 LYS A 57 4.422 18.076 -3.176 1.00 52.30 H new ATOM 0 HZ1 LYS A 57 3.044 19.961 -3.750 1.00 43.55 H new ATOM 0 HZ2 LYS A 57 3.283 18.980 -5.115 1.00 43.55 H new ATOM 0 HZ3 LYS A 57 1.801 18.938 -4.288 1.00 43.55 H new ATOM 856 N GLU A 58 4.733 10.832 -3.680 1.00 40.30 N ATOM 857 CA GLU A 58 4.514 9.473 -4.149 1.00 54.15 C ATOM 858 C GLU A 58 5.668 8.579 -3.725 1.00 12.12 C ATOM 859 O GLU A 58 6.800 9.042 -3.570 1.00 63.41 O ATOM 860 CB GLU A 58 4.364 9.420 -5.674 1.00 3.24 C ATOM 861 CG GLU A 58 5.626 9.789 -6.434 1.00 15.50 C ATOM 862 CD GLU A 58 5.601 9.306 -7.871 1.00 61.22 C ATOM 863 OE1 GLU A 58 6.009 8.148 -8.119 1.00 4.52 O ATOM 864 OE2 GLU A 58 5.186 10.078 -8.758 1.00 64.44 O ATOM 0 H GLU A 58 5.711 11.119 -3.659 1.00 40.30 H new ATOM 0 HA GLU A 58 3.587 9.117 -3.700 1.00 54.15 H new ATOM 0 HB2 GLU A 58 4.059 8.414 -5.964 1.00 3.24 H new ATOM 0 HB3 GLU A 58 3.562 10.095 -5.973 1.00 3.24 H new ATOM 0 HG2 GLU A 58 5.751 10.872 -6.420 1.00 15.50 H new ATOM 0 HG3 GLU A 58 6.490 9.362 -5.926 1.00 15.50 H new ATOM 871 N LEU A 59 5.376 7.309 -3.522 1.00 73.24 N ATOM 872 CA LEU A 59 6.411 6.328 -3.242 1.00 63.23 C ATOM 873 C LEU A 59 5.923 4.951 -3.645 1.00 23.34 C ATOM 874 O LEU A 59 4.717 4.697 -3.681 1.00 75.20 O ATOM 875 CB LEU A 59 6.821 6.339 -1.759 1.00 4.52 C ATOM 876 CG LEU A 59 5.904 5.587 -0.783 1.00 73.43 C ATOM 877 CD1 LEU A 59 6.498 5.620 0.612 1.00 35.41 C ATOM 878 CD2 LEU A 59 4.502 6.173 -0.765 1.00 63.10 C ATOM 0 H LEU A 59 4.429 6.930 -3.545 1.00 73.24 H new ATOM 0 HA LEU A 59 7.295 6.589 -3.824 1.00 63.23 H new ATOM 0 HB2 LEU A 59 7.822 5.915 -1.680 1.00 4.52 H new ATOM 0 HB3 LEU A 59 6.887 7.377 -1.432 1.00 4.52 H new ATOM 0 HG LEU A 59 5.828 4.555 -1.124 1.00 73.43 H new ATOM 0 HD11 LEU A 59 5.843 5.085 1.299 1.00 35.41 H new ATOM 0 HD12 LEU A 59 7.479 5.144 0.601 1.00 35.41 H new ATOM 0 HD13 LEU A 59 6.600 6.655 0.940 1.00 35.41 H new ATOM 0 HD21 LEU A 59 3.883 5.614 -0.063 1.00 63.10 H new ATOM 0 HD22 LEU A 59 4.548 7.217 -0.457 1.00 63.10 H new ATOM 0 HD23 LEU A 59 4.068 6.108 -1.763 1.00 63.10 H new ATOM 890 N THR A 60 6.850 4.071 -3.953 1.00 23.02 N ATOM 891 CA THR A 60 6.504 2.732 -4.376 1.00 51.03 C ATOM 892 C THR A 60 7.013 1.709 -3.366 1.00 3.03 C ATOM 893 O THR A 60 8.219 1.596 -3.132 1.00 74.11 O ATOM 894 CB THR A 60 7.079 2.444 -5.774 1.00 22.42 C ATOM 895 OG1 THR A 60 6.678 3.483 -6.683 1.00 53.02 O ATOM 896 CG2 THR A 60 6.592 1.105 -6.296 1.00 62.11 C ATOM 0 H THR A 60 7.852 4.259 -3.918 1.00 23.02 H new ATOM 0 HA THR A 60 5.418 2.654 -4.429 1.00 51.03 H new ATOM 0 HB THR A 60 8.166 2.413 -5.698 1.00 22.42 H new ATOM 0 HG1 THR A 60 7.046 3.299 -7.572 1.00 53.02 H new ATOM 0 HG21 THR A 60 7.013 0.925 -7.285 1.00 62.11 H new ATOM 0 HG22 THR A 60 6.909 0.313 -5.618 1.00 62.11 H new ATOM 0 HG23 THR A 60 5.504 1.114 -6.361 1.00 62.11 H new ATOM 904 N ALA A 61 6.085 0.990 -2.756 1.00 10.42 N ATOM 905 CA ALA A 61 6.418 0.013 -1.737 1.00 31.20 C ATOM 906 C ALA A 61 6.251 -1.401 -2.276 1.00 63.52 C ATOM 907 O ALA A 61 5.165 -1.789 -2.709 1.00 21.42 O ATOM 908 CB ALA A 61 5.554 0.223 -0.503 1.00 70.53 C ATOM 0 H ALA A 61 5.087 1.067 -2.953 1.00 10.42 H new ATOM 0 HA ALA A 61 7.462 0.148 -1.455 1.00 31.20 H new ATOM 0 HB1 ALA A 61 5.814 -0.517 0.254 1.00 70.53 H new ATOM 0 HB2 ALA A 61 5.724 1.224 -0.106 1.00 70.53 H new ATOM 0 HB3 ALA A 61 4.503 0.113 -0.771 1.00 70.53 H new ATOM 914 N ARG A 62 7.333 -2.159 -2.250 1.00 30.44 N ATOM 915 CA ARG A 62 7.331 -3.522 -2.753 1.00 64.51 C ATOM 916 C ARG A 62 7.221 -4.503 -1.588 1.00 31.04 C ATOM 917 O ARG A 62 8.119 -4.574 -0.751 1.00 70.44 O ATOM 918 CB ARG A 62 8.624 -3.763 -3.542 1.00 64.33 C ATOM 919 CG ARG A 62 8.721 -5.124 -4.215 1.00 24.44 C ATOM 920 CD ARG A 62 7.593 -5.346 -5.208 1.00 4.42 C ATOM 921 NE ARG A 62 7.413 -4.213 -6.108 1.00 44.13 N ATOM 922 CZ ARG A 62 7.555 -4.275 -7.426 1.00 25.25 C ATOM 923 NH1 ARG A 62 7.995 -5.387 -8.004 1.00 33.11 N ATOM 924 NH2 ARG A 62 7.267 -3.211 -8.155 1.00 14.23 N ATOM 0 H ARG A 62 8.233 -1.850 -1.882 1.00 30.44 H new ATOM 0 HA ARG A 62 6.476 -3.675 -3.411 1.00 64.51 H new ATOM 0 HB2 ARG A 62 8.716 -2.990 -4.305 1.00 64.33 H new ATOM 0 HB3 ARG A 62 9.471 -3.647 -2.866 1.00 64.33 H new ATOM 0 HG2 ARG A 62 9.679 -5.208 -4.729 1.00 24.44 H new ATOM 0 HG3 ARG A 62 8.697 -5.907 -3.457 1.00 24.44 H new ATOM 0 HD2 ARG A 62 7.799 -6.242 -5.793 1.00 4.42 H new ATOM 0 HD3 ARG A 62 6.665 -5.526 -4.665 1.00 4.42 H new ATOM 0 HE ARG A 62 7.161 -3.314 -5.698 1.00 44.13 H new ATOM 0 HH11 ARG A 62 8.226 -6.201 -7.434 1.00 33.11 H new ATOM 0 HH12 ARG A 62 8.102 -5.427 -9.018 1.00 33.11 H new ATOM 0 HH21 ARG A 62 6.940 -2.357 -7.704 1.00 14.23 H new ATOM 0 HH22 ARG A 62 7.371 -3.244 -9.169 1.00 14.23 H new ATOM 938 N PHE A 63 6.122 -5.248 -1.533 1.00 30.40 N ATOM 939 CA PHE A 63 5.882 -6.167 -0.427 1.00 4.31 C ATOM 940 C PHE A 63 6.096 -7.616 -0.850 1.00 25.43 C ATOM 941 O PHE A 63 5.419 -8.125 -1.744 1.00 45.33 O ATOM 942 CB PHE A 63 4.461 -5.993 0.121 1.00 55.45 C ATOM 943 CG PHE A 63 4.217 -4.665 0.778 1.00 1.13 C ATOM 944 CD1 PHE A 63 4.592 -4.453 2.095 1.00 61.14 C ATOM 945 CD2 PHE A 63 3.612 -3.630 0.084 1.00 13.14 C ATOM 946 CE1 PHE A 63 4.366 -3.236 2.709 1.00 12.22 C ATOM 947 CE2 PHE A 63 3.383 -2.411 0.692 1.00 61.10 C ATOM 948 CZ PHE A 63 3.762 -2.213 2.006 1.00 32.30 C ATOM 0 H PHE A 63 5.386 -5.234 -2.239 1.00 30.40 H new ATOM 0 HA PHE A 63 6.601 -5.928 0.357 1.00 4.31 H new ATOM 0 HB2 PHE A 63 3.750 -6.119 -0.696 1.00 55.45 H new ATOM 0 HB3 PHE A 63 4.261 -6.786 0.842 1.00 55.45 H new ATOM 0 HD1 PHE A 63 5.067 -5.249 2.649 1.00 61.14 H new ATOM 0 HD2 PHE A 63 3.316 -3.778 -0.944 1.00 13.14 H new ATOM 0 HE1 PHE A 63 4.661 -3.085 3.737 1.00 12.22 H new ATOM 0 HE2 PHE A 63 2.908 -1.613 0.141 1.00 61.10 H new ATOM 0 HZ PHE A 63 3.586 -1.260 2.482 1.00 32.30 H new ATOM 958 N LYS A 64 7.045 -8.265 -0.200 1.00 33.14 N ATOM 959 CA LYS A 64 7.331 -9.670 -0.430 1.00 11.44 C ATOM 960 C LYS A 64 6.719 -10.488 0.705 1.00 4.13 C ATOM 961 O LYS A 64 7.250 -10.512 1.814 1.00 21.42 O ATOM 962 CB LYS A 64 8.851 -9.882 -0.474 1.00 73.24 C ATOM 963 CG LYS A 64 9.329 -11.133 -1.210 1.00 74.24 C ATOM 964 CD LYS A 64 8.635 -12.393 -0.727 1.00 53.41 C ATOM 965 CE LYS A 64 9.508 -13.620 -0.899 1.00 13.04 C ATOM 966 NZ LYS A 64 10.548 -13.706 0.162 1.00 10.32 N ATOM 0 H LYS A 64 7.641 -7.831 0.505 1.00 33.14 H new ATOM 0 HA LYS A 64 6.904 -9.990 -1.380 1.00 11.44 H new ATOM 0 HB2 LYS A 64 9.306 -9.011 -0.945 1.00 73.24 H new ATOM 0 HB3 LYS A 64 9.223 -9.922 0.550 1.00 73.24 H new ATOM 0 HG2 LYS A 64 9.152 -11.012 -2.279 1.00 74.24 H new ATOM 0 HG3 LYS A 64 10.405 -11.241 -1.075 1.00 74.24 H new ATOM 0 HD2 LYS A 64 8.369 -12.281 0.324 1.00 53.41 H new ATOM 0 HD3 LYS A 64 7.705 -12.529 -1.278 1.00 53.41 H new ATOM 0 HE2 LYS A 64 8.887 -14.515 -0.874 1.00 13.04 H new ATOM 0 HE3 LYS A 64 9.987 -13.592 -1.878 1.00 13.04 H new ATOM 0 HZ1 LYS A 64 11.402 -14.157 -0.224 1.00 10.32 H new ATOM 0 HZ2 LYS A 64 10.783 -12.750 0.496 1.00 10.32 H new ATOM 0 HZ3 LYS A 64 10.187 -14.272 0.957 1.00 10.32 H new ATOM 980 N PHE A 65 5.599 -11.138 0.430 1.00 44.53 N ATOM 981 CA PHE A 65 4.932 -11.963 1.423 1.00 33.42 C ATOM 982 C PHE A 65 5.550 -13.354 1.431 1.00 74.45 C ATOM 983 O PHE A 65 6.192 -13.762 0.464 1.00 62.33 O ATOM 984 CB PHE A 65 3.429 -12.053 1.133 1.00 12.34 C ATOM 985 CG PHE A 65 2.740 -10.718 1.071 1.00 52.12 C ATOM 986 CD1 PHE A 65 2.847 -9.914 -0.052 1.00 43.23 C ATOM 987 CD2 PHE A 65 1.984 -10.266 2.137 1.00 1.23 C ATOM 988 CE1 PHE A 65 2.217 -8.687 -0.109 1.00 21.05 C ATOM 989 CE2 PHE A 65 1.352 -9.039 2.087 1.00 44.21 C ATOM 990 CZ PHE A 65 1.468 -8.247 0.961 1.00 5.30 C ATOM 0 H PHE A 65 5.132 -11.109 -0.476 1.00 44.53 H new ATOM 0 HA PHE A 65 5.062 -11.505 2.404 1.00 33.42 H new ATOM 0 HB2 PHE A 65 3.282 -12.571 0.185 1.00 12.34 H new ATOM 0 HB3 PHE A 65 2.956 -12.660 1.905 1.00 12.34 H new ATOM 0 HD1 PHE A 65 3.432 -10.252 -0.895 1.00 43.23 H new ATOM 0 HD2 PHE A 65 1.887 -10.880 3.020 1.00 1.23 H new ATOM 0 HE1 PHE A 65 2.311 -8.072 -0.992 1.00 21.05 H new ATOM 0 HE2 PHE A 65 0.767 -8.699 2.928 1.00 44.21 H new ATOM 0 HZ PHE A 65 0.974 -7.287 0.919 1.00 5.30 H new ATOM 1000 N GLU A 66 5.349 -14.082 2.516 1.00 43.41 N ATOM 1001 CA GLU A 66 5.963 -15.386 2.676 1.00 22.12 C ATOM 1002 C GLU A 66 5.335 -16.391 1.705 1.00 53.31 C ATOM 1003 O GLU A 66 6.037 -17.021 0.911 1.00 12.13 O ATOM 1004 CB GLU A 66 5.815 -15.842 4.126 1.00 45.43 C ATOM 1005 CG GLU A 66 7.023 -16.570 4.681 1.00 4.23 C ATOM 1006 CD GLU A 66 7.195 -17.957 4.104 1.00 24.44 C ATOM 1007 OE1 GLU A 66 6.443 -18.866 4.512 1.00 53.12 O ATOM 1008 OE2 GLU A 66 8.091 -18.152 3.259 1.00 12.30 O ATOM 0 H GLU A 66 4.764 -13.790 3.299 1.00 43.41 H new ATOM 0 HA GLU A 66 7.026 -15.323 2.441 1.00 22.12 H new ATOM 0 HB2 GLU A 66 5.613 -14.971 4.749 1.00 45.43 H new ATOM 0 HB3 GLU A 66 4.946 -16.496 4.201 1.00 45.43 H new ATOM 0 HG2 GLU A 66 7.919 -15.984 4.476 1.00 4.23 H new ATOM 0 HG3 GLU A 66 6.930 -16.642 5.765 1.00 4.23 H new ATOM 1015 N VAL A 67 4.014 -16.528 1.764 1.00 24.05 N ATOM 1016 CA VAL A 67 3.294 -17.374 0.815 1.00 41.23 C ATOM 1017 C VAL A 67 2.306 -16.550 -0.008 1.00 52.33 C ATOM 1018 O VAL A 67 1.925 -15.444 0.386 1.00 30.53 O ATOM 1019 CB VAL A 67 2.543 -18.533 1.512 1.00 13.03 C ATOM 1020 CG1 VAL A 67 3.519 -19.455 2.224 1.00 11.20 C ATOM 1021 CG2 VAL A 67 1.496 -18.011 2.487 1.00 2.22 C ATOM 0 H VAL A 67 3.422 -16.067 2.455 1.00 24.05 H new ATOM 0 HA VAL A 67 4.046 -17.808 0.156 1.00 41.23 H new ATOM 0 HB VAL A 67 2.026 -19.103 0.740 1.00 13.03 H new ATOM 0 HG11 VAL A 67 2.970 -20.263 2.707 1.00 11.20 H new ATOM 0 HG12 VAL A 67 4.218 -19.874 1.500 1.00 11.20 H new ATOM 0 HG13 VAL A 67 4.070 -18.890 2.976 1.00 11.20 H new ATOM 0 HG21 VAL A 67 0.987 -18.852 2.959 1.00 2.22 H new ATOM 0 HG22 VAL A 67 1.981 -17.405 3.252 1.00 2.22 H new ATOM 0 HG23 VAL A 67 0.769 -17.403 1.949 1.00 2.22 H new ATOM 1031 N SER A 68 1.886 -17.103 -1.140 1.00 24.05 N ATOM 1032 CA SER A 68 1.001 -16.406 -2.067 1.00 45.32 C ATOM 1033 C SER A 68 -0.348 -16.079 -1.422 1.00 33.41 C ATOM 1034 O SER A 68 -0.988 -15.080 -1.754 1.00 40.35 O ATOM 1035 CB SER A 68 0.802 -17.267 -3.314 1.00 21.10 C ATOM 1036 OG SER A 68 2.049 -17.734 -3.809 1.00 71.34 O ATOM 0 H SER A 68 2.147 -18.042 -1.440 1.00 24.05 H new ATOM 0 HA SER A 68 1.465 -15.459 -2.343 1.00 45.32 H new ATOM 0 HB2 SER A 68 0.159 -18.115 -3.077 1.00 21.10 H new ATOM 0 HB3 SER A 68 0.294 -16.687 -4.085 1.00 21.10 H new ATOM 0 HG SER A 68 1.899 -18.284 -4.606 1.00 71.34 H new ATOM 1042 N ALA A 69 -0.755 -16.917 -0.485 1.00 54.41 N ATOM 1043 CA ALA A 69 -2.021 -16.738 0.218 1.00 22.01 C ATOM 1044 C ALA A 69 -2.037 -15.430 1.002 1.00 52.55 C ATOM 1045 O ALA A 69 -3.026 -14.694 0.979 1.00 12.40 O ATOM 1046 CB ALA A 69 -2.282 -17.913 1.147 1.00 15.24 C ATOM 0 H ALA A 69 -0.224 -17.736 -0.189 1.00 54.41 H new ATOM 0 HA ALA A 69 -2.815 -16.694 -0.527 1.00 22.01 H new ATOM 0 HB1 ALA A 69 -3.230 -17.764 1.664 1.00 15.24 H new ATOM 0 HB2 ALA A 69 -2.326 -18.834 0.565 1.00 15.24 H new ATOM 0 HB3 ALA A 69 -1.477 -17.984 1.878 1.00 15.24 H new ATOM 1052 N GLU A 70 -0.930 -15.138 1.675 1.00 43.24 N ATOM 1053 CA GLU A 70 -0.812 -13.933 2.486 1.00 33.32 C ATOM 1054 C GLU A 70 -0.863 -12.688 1.607 1.00 33.42 C ATOM 1055 O GLU A 70 -1.389 -11.649 2.006 1.00 35.44 O ATOM 1056 CB GLU A 70 0.491 -13.982 3.289 1.00 41.44 C ATOM 1057 CG GLU A 70 0.530 -15.137 4.275 1.00 22.11 C ATOM 1058 CD GLU A 70 1.855 -15.262 4.996 1.00 1.45 C ATOM 1059 OE1 GLU A 70 2.855 -15.610 4.342 1.00 70.32 O ATOM 1060 OE2 GLU A 70 1.891 -15.035 6.227 1.00 1.13 O ATOM 0 H GLU A 70 -0.096 -15.725 1.674 1.00 43.24 H new ATOM 0 HA GLU A 70 -1.651 -13.885 3.180 1.00 33.32 H new ATOM 0 HB2 GLU A 70 1.333 -14.068 2.602 1.00 41.44 H new ATOM 0 HB3 GLU A 70 0.615 -13.044 3.830 1.00 41.44 H new ATOM 0 HG2 GLU A 70 -0.265 -15.006 5.009 1.00 22.11 H new ATOM 0 HG3 GLU A 70 0.324 -16.066 3.744 1.00 22.11 H new ATOM 1067 N LYS A 71 -0.323 -12.817 0.401 1.00 74.43 N ATOM 1068 CA LYS A 71 -0.354 -11.748 -0.586 1.00 64.31 C ATOM 1069 C LYS A 71 -1.796 -11.407 -0.924 1.00 34.43 C ATOM 1070 O LYS A 71 -2.219 -10.252 -0.850 1.00 72.12 O ATOM 1071 CB LYS A 71 0.381 -12.203 -1.847 1.00 32.14 C ATOM 1072 CG LYS A 71 0.873 -11.071 -2.742 1.00 53.12 C ATOM 1073 CD LYS A 71 -0.195 -10.581 -3.710 1.00 13.43 C ATOM 1074 CE LYS A 71 -0.572 -11.648 -4.731 1.00 4.42 C ATOM 1075 NZ LYS A 71 -1.349 -11.081 -5.863 1.00 11.43 N ATOM 0 H LYS A 71 0.147 -13.664 0.082 1.00 74.43 H new ATOM 0 HA LYS A 71 0.136 -10.862 -0.181 1.00 64.31 H new ATOM 0 HB2 LYS A 71 1.235 -12.813 -1.553 1.00 32.14 H new ATOM 0 HB3 LYS A 71 -0.283 -12.844 -2.427 1.00 32.14 H new ATOM 0 HG2 LYS A 71 1.203 -10.239 -2.120 1.00 53.12 H new ATOM 0 HG3 LYS A 71 1.741 -11.411 -3.307 1.00 53.12 H new ATOM 0 HD2 LYS A 71 -1.082 -10.284 -3.151 1.00 13.43 H new ATOM 0 HD3 LYS A 71 0.166 -9.693 -4.229 1.00 13.43 H new ATOM 0 HE2 LYS A 71 0.333 -12.121 -5.113 1.00 4.42 H new ATOM 0 HE3 LYS A 71 -1.158 -12.427 -4.243 1.00 4.42 H new ATOM 0 HZ1 LYS A 71 -1.312 -11.734 -6.671 1.00 11.43 H new ATOM 0 HZ2 LYS A 71 -2.338 -10.947 -5.572 1.00 11.43 H new ATOM 0 HZ3 LYS A 71 -0.942 -10.165 -6.139 1.00 11.43 H new ATOM 1089 N LEU A 72 -2.537 -12.441 -1.285 1.00 53.52 N ATOM 1090 CA LEU A 72 -3.943 -12.302 -1.648 1.00 63.04 C ATOM 1091 C LEU A 72 -4.758 -11.685 -0.514 1.00 43.44 C ATOM 1092 O LEU A 72 -5.645 -10.871 -0.765 1.00 51.23 O ATOM 1093 CB LEU A 72 -4.529 -13.664 -2.024 1.00 2.31 C ATOM 1094 CG LEU A 72 -3.848 -14.368 -3.199 1.00 22.35 C ATOM 1095 CD1 LEU A 72 -4.464 -15.740 -3.428 1.00 4.14 C ATOM 1096 CD2 LEU A 72 -3.948 -13.525 -4.460 1.00 71.33 C ATOM 0 H LEU A 72 -2.186 -13.397 -1.336 1.00 53.52 H new ATOM 0 HA LEU A 72 -3.997 -11.633 -2.507 1.00 63.04 H new ATOM 0 HB2 LEU A 72 -4.478 -14.316 -1.152 1.00 2.31 H new ATOM 0 HB3 LEU A 72 -5.585 -13.533 -2.263 1.00 2.31 H new ATOM 0 HG LEU A 72 -2.794 -14.498 -2.955 1.00 22.35 H new ATOM 0 HD11 LEU A 72 -3.967 -16.226 -4.268 1.00 4.14 H new ATOM 0 HD12 LEU A 72 -4.341 -16.348 -2.532 1.00 4.14 H new ATOM 0 HD13 LEU A 72 -5.526 -15.630 -3.649 1.00 4.14 H new ATOM 0 HD21 LEU A 72 -3.458 -14.043 -5.284 1.00 71.33 H new ATOM 0 HD22 LEU A 72 -4.997 -13.362 -4.707 1.00 71.33 H new ATOM 0 HD23 LEU A 72 -3.461 -12.564 -4.295 1.00 71.33 H new ATOM 1108 N ILE A 73 -4.455 -12.067 0.728 1.00 22.50 N ATOM 1109 CA ILE A 73 -5.177 -11.543 1.888 1.00 24.44 C ATOM 1110 C ILE A 73 -5.023 -10.028 1.989 1.00 2.15 C ATOM 1111 O ILE A 73 -6.003 -9.306 2.183 1.00 23.13 O ATOM 1112 CB ILE A 73 -4.698 -12.187 3.208 1.00 15.05 C ATOM 1113 CG1 ILE A 73 -4.948 -13.697 3.185 1.00 30.33 C ATOM 1114 CG2 ILE A 73 -5.404 -11.548 4.401 1.00 73.32 C ATOM 1115 CD1 ILE A 73 -4.414 -14.424 4.398 1.00 13.32 C ATOM 0 H ILE A 73 -3.718 -12.734 0.956 1.00 22.50 H new ATOM 0 HA ILE A 73 -6.227 -11.796 1.739 1.00 24.44 H new ATOM 0 HB ILE A 73 -3.627 -12.014 3.309 1.00 15.05 H new ATOM 0 HG12 ILE A 73 -6.020 -13.877 3.108 1.00 30.33 H new ATOM 0 HG13 ILE A 73 -4.490 -14.118 2.290 1.00 30.33 H new ATOM 0 HG21 ILE A 73 -5.055 -12.014 5.323 1.00 73.32 H new ATOM 0 HG22 ILE A 73 -5.182 -10.481 4.427 1.00 73.32 H new ATOM 0 HG23 ILE A 73 -6.480 -11.692 4.307 1.00 73.32 H new ATOM 0 HD11 ILE A 73 -4.630 -15.489 4.308 1.00 13.32 H new ATOM 0 HD12 ILE A 73 -3.336 -14.276 4.465 1.00 13.32 H new ATOM 0 HD13 ILE A 73 -4.891 -14.032 5.296 1.00 13.32 H new ATOM 1127 N PHE A 74 -3.793 -9.555 1.844 1.00 25.42 N ATOM 1128 CA PHE A 74 -3.506 -8.124 1.893 1.00 51.51 C ATOM 1129 C PHE A 74 -4.293 -7.388 0.812 1.00 72.13 C ATOM 1130 O PHE A 74 -4.844 -6.309 1.050 1.00 2.42 O ATOM 1131 CB PHE A 74 -2.000 -7.891 1.720 1.00 62.23 C ATOM 1132 CG PHE A 74 -1.577 -6.448 1.771 1.00 41.24 C ATOM 1133 CD1 PHE A 74 -1.365 -5.815 2.986 1.00 43.13 C ATOM 1134 CD2 PHE A 74 -1.378 -5.729 0.602 1.00 53.42 C ATOM 1135 CE1 PHE A 74 -0.969 -4.491 3.033 1.00 43.15 C ATOM 1136 CE2 PHE A 74 -0.980 -4.408 0.644 1.00 71.03 C ATOM 1137 CZ PHE A 74 -0.774 -3.788 1.861 1.00 53.54 C ATOM 0 H PHE A 74 -2.973 -10.142 1.691 1.00 25.42 H new ATOM 0 HA PHE A 74 -3.812 -7.732 2.863 1.00 51.51 H new ATOM 0 HB2 PHE A 74 -1.470 -8.439 2.499 1.00 62.23 H new ATOM 0 HB3 PHE A 74 -1.688 -8.313 0.765 1.00 62.23 H new ATOM 0 HD1 PHE A 74 -1.511 -6.362 3.906 1.00 43.13 H new ATOM 0 HD2 PHE A 74 -1.536 -6.208 -0.353 1.00 53.42 H new ATOM 0 HE1 PHE A 74 -0.812 -4.007 3.986 1.00 43.15 H new ATOM 0 HE2 PHE A 74 -0.830 -3.859 -0.274 1.00 71.03 H new ATOM 0 HZ PHE A 74 -0.461 -2.755 1.896 1.00 53.54 H new ATOM 1147 N GLU A 75 -4.355 -7.990 -0.368 1.00 23.34 N ATOM 1148 CA GLU A 75 -5.101 -7.421 -1.478 1.00 1.51 C ATOM 1149 C GLU A 75 -6.599 -7.427 -1.185 1.00 32.51 C ATOM 1150 O GLU A 75 -7.285 -6.443 -1.439 1.00 20.21 O ATOM 1151 CB GLU A 75 -4.806 -8.189 -2.762 1.00 33.54 C ATOM 1152 CG GLU A 75 -3.358 -8.104 -3.202 1.00 71.14 C ATOM 1153 CD GLU A 75 -3.145 -8.708 -4.569 1.00 31.41 C ATOM 1154 OE1 GLU A 75 -3.398 -9.920 -4.732 1.00 0.02 O ATOM 1155 OE2 GLU A 75 -2.734 -7.977 -5.491 1.00 30.15 O ATOM 0 H GLU A 75 -3.895 -8.876 -0.580 1.00 23.34 H new ATOM 0 HA GLU A 75 -4.785 -6.386 -1.609 1.00 1.51 H new ATOM 0 HB2 GLU A 75 -5.072 -9.236 -2.618 1.00 33.54 H new ATOM 0 HB3 GLU A 75 -5.442 -7.805 -3.559 1.00 33.54 H new ATOM 0 HG2 GLU A 75 -3.044 -7.060 -3.214 1.00 71.14 H new ATOM 0 HG3 GLU A 75 -2.728 -8.618 -2.476 1.00 71.14 H new ATOM 1162 N LEU A 76 -7.094 -8.528 -0.628 1.00 4.54 N ATOM 1163 CA LEU A 76 -8.493 -8.659 -0.281 1.00 43.11 C ATOM 1164 C LEU A 76 -8.917 -7.567 0.694 1.00 53.12 C ATOM 1165 O LEU A 76 -10.001 -6.996 0.573 1.00 2.43 O ATOM 1166 CB LEU A 76 -8.727 -10.033 0.336 1.00 34.11 C ATOM 1167 CG LEU A 76 -8.734 -11.202 -0.646 1.00 43.14 C ATOM 1168 CD1 LEU A 76 -8.862 -12.521 0.098 1.00 35.14 C ATOM 1169 CD2 LEU A 76 -9.867 -11.042 -1.645 1.00 61.40 C ATOM 0 H LEU A 76 -6.532 -9.350 -0.407 1.00 4.54 H new ATOM 0 HA LEU A 76 -9.093 -8.553 -1.184 1.00 43.11 H new ATOM 0 HB2 LEU A 76 -7.954 -10.213 1.083 1.00 34.11 H new ATOM 0 HB3 LEU A 76 -9.681 -10.018 0.863 1.00 34.11 H new ATOM 0 HG LEU A 76 -7.789 -11.206 -1.190 1.00 43.14 H new ATOM 0 HD11 LEU A 76 -8.865 -13.343 -0.617 1.00 35.14 H new ATOM 0 HD12 LEU A 76 -8.020 -12.637 0.780 1.00 35.14 H new ATOM 0 HD13 LEU A 76 -9.793 -12.530 0.665 1.00 35.14 H new ATOM 0 HD21 LEU A 76 -9.861 -11.882 -2.340 1.00 61.40 H new ATOM 0 HD22 LEU A 76 -10.819 -11.017 -1.115 1.00 61.40 H new ATOM 0 HD23 LEU A 76 -9.735 -10.112 -2.199 1.00 61.40 H new ATOM 1181 N LYS A 77 -8.046 -7.270 1.645 1.00 34.52 N ATOM 1182 CA LYS A 77 -8.330 -6.261 2.651 1.00 41.14 C ATOM 1183 C LYS A 77 -8.287 -4.855 2.055 1.00 55.23 C ATOM 1184 O LYS A 77 -9.083 -3.993 2.425 1.00 0.35 O ATOM 1185 CB LYS A 77 -7.340 -6.386 3.811 1.00 63.23 C ATOM 1186 CG LYS A 77 -7.420 -7.727 4.524 1.00 72.32 C ATOM 1187 CD LYS A 77 -6.591 -7.748 5.799 1.00 20.34 C ATOM 1188 CE LYS A 77 -7.130 -6.763 6.821 1.00 55.34 C ATOM 1189 NZ LYS A 77 -6.443 -6.878 8.135 1.00 74.24 N ATOM 0 H LYS A 77 -7.133 -7.716 1.741 1.00 34.52 H new ATOM 0 HA LYS A 77 -9.339 -6.428 3.027 1.00 41.14 H new ATOM 0 HB2 LYS A 77 -6.328 -6.242 3.433 1.00 63.23 H new ATOM 0 HB3 LYS A 77 -7.529 -5.588 4.529 1.00 63.23 H new ATOM 0 HG2 LYS A 77 -8.460 -7.947 4.765 1.00 72.32 H new ATOM 0 HG3 LYS A 77 -7.074 -8.514 3.854 1.00 72.32 H new ATOM 0 HD2 LYS A 77 -6.594 -8.753 6.222 1.00 20.34 H new ATOM 0 HD3 LYS A 77 -5.555 -7.504 5.566 1.00 20.34 H new ATOM 0 HE2 LYS A 77 -7.013 -5.748 6.440 1.00 55.34 H new ATOM 0 HE3 LYS A 77 -8.198 -6.932 6.956 1.00 55.34 H new ATOM 0 HZ1 LYS A 77 -6.845 -6.186 8.799 1.00 74.24 H new ATOM 0 HZ2 LYS A 77 -6.575 -7.838 8.513 1.00 74.24 H new ATOM 0 HZ3 LYS A 77 -5.427 -6.691 8.013 1.00 74.24 H new ATOM 1203 N THR A 78 -7.373 -4.631 1.120 1.00 13.30 N ATOM 1204 CA THR A 78 -7.232 -3.321 0.496 1.00 62.11 C ATOM 1205 C THR A 78 -8.341 -3.053 -0.528 1.00 62.00 C ATOM 1206 O THR A 78 -8.619 -1.897 -0.860 1.00 44.04 O ATOM 1207 CB THR A 78 -5.850 -3.154 -0.165 1.00 13.11 C ATOM 1208 OG1 THR A 78 -5.475 -4.355 -0.843 1.00 52.51 O ATOM 1209 CG2 THR A 78 -4.792 -2.799 0.868 1.00 64.34 C ATOM 0 H THR A 78 -6.720 -5.336 0.778 1.00 13.30 H new ATOM 0 HA THR A 78 -7.324 -2.586 1.295 1.00 62.11 H new ATOM 0 HB THR A 78 -5.920 -2.340 -0.886 1.00 13.11 H new ATOM 0 HG1 THR A 78 -5.114 -4.997 -0.196 1.00 52.51 H new ATOM 0 HG21 THR A 78 -3.826 -2.687 0.376 1.00 64.34 H new ATOM 0 HG22 THR A 78 -5.061 -1.863 1.357 1.00 64.34 H new ATOM 0 HG23 THR A 78 -4.730 -3.593 1.613 1.00 64.34 H new ATOM 1217 N ARG A 79 -8.981 -4.116 -1.017 1.00 45.30 N ATOM 1218 CA ARG A 79 -10.101 -3.983 -1.930 1.00 20.32 C ATOM 1219 C ARG A 79 -11.206 -3.138 -1.302 1.00 53.11 C ATOM 1220 O ARG A 79 -11.635 -2.133 -1.867 1.00 60.43 O ATOM 1221 CB ARG A 79 -10.656 -5.363 -2.278 1.00 1.34 C ATOM 1222 CG ARG A 79 -9.706 -6.269 -3.050 1.00 50.13 C ATOM 1223 CD ARG A 79 -9.450 -5.784 -4.472 1.00 3.22 C ATOM 1224 NE ARG A 79 -8.605 -4.590 -4.527 1.00 10.41 N ATOM 1225 CZ ARG A 79 -7.354 -4.580 -4.997 1.00 14.41 C ATOM 1226 NH1 ARG A 79 -6.770 -5.710 -5.376 1.00 14.44 N ATOM 1227 NH2 ARG A 79 -6.685 -3.436 -5.067 1.00 70.22 N ATOM 0 H ARG A 79 -8.736 -5.080 -0.791 1.00 45.30 H new ATOM 0 HA ARG A 79 -9.749 -3.491 -2.837 1.00 20.32 H new ATOM 0 HB2 ARG A 79 -10.941 -5.866 -1.354 1.00 1.34 H new ATOM 0 HB3 ARG A 79 -11.566 -5.234 -2.864 1.00 1.34 H new ATOM 0 HG2 ARG A 79 -8.758 -6.332 -2.516 1.00 50.13 H new ATOM 0 HG3 ARG A 79 -10.120 -7.277 -3.084 1.00 50.13 H new ATOM 0 HD2 ARG A 79 -8.977 -6.583 -5.043 1.00 3.22 H new ATOM 0 HD3 ARG A 79 -10.404 -5.570 -4.954 1.00 3.22 H new ATOM 0 HE ARG A 79 -8.995 -3.712 -4.186 1.00 10.41 H new ATOM 0 HH11 ARG A 79 -7.276 -6.593 -5.309 1.00 14.44 H new ATOM 0 HH12 ARG A 79 -5.815 -5.695 -5.734 1.00 14.44 H new ATOM 0 HH21 ARG A 79 -7.126 -2.568 -4.763 1.00 70.22 H new ATOM 0 HH22 ARG A 79 -5.730 -3.425 -5.425 1.00 70.22 H new ATOM 1241 N SER A 80 -11.642 -3.549 -0.117 1.00 2.10 N ATOM 1242 CA SER A 80 -12.706 -2.875 0.597 1.00 12.33 C ATOM 1243 C SER A 80 -12.224 -1.561 1.211 1.00 31.34 C ATOM 1244 O SER A 80 -13.026 -0.709 1.589 1.00 31.44 O ATOM 1245 CB SER A 80 -13.236 -3.812 1.678 1.00 1.31 C ATOM 1246 OG SER A 80 -13.621 -5.059 1.118 1.00 33.24 O ATOM 0 H SER A 80 -11.264 -4.360 0.372 1.00 2.10 H new ATOM 0 HA SER A 80 -13.503 -2.625 -0.103 1.00 12.33 H new ATOM 0 HB2 SER A 80 -12.470 -3.970 2.437 1.00 1.31 H new ATOM 0 HB3 SER A 80 -14.089 -3.353 2.177 1.00 1.31 H new ATOM 0 HG SER A 80 -13.956 -5.646 1.827 1.00 33.24 H new ATOM 1252 N LEU A 81 -10.914 -1.389 1.286 1.00 3.12 N ATOM 1253 CA LEU A 81 -10.335 -0.199 1.861 1.00 74.35 C ATOM 1254 C LEU A 81 -10.357 0.953 0.854 1.00 5.32 C ATOM 1255 O LEU A 81 -10.700 2.087 1.193 1.00 73.30 O ATOM 1256 CB LEU A 81 -8.907 -0.514 2.306 1.00 33.22 C ATOM 1257 CG LEU A 81 -8.003 0.693 2.488 1.00 73.42 C ATOM 1258 CD1 LEU A 81 -8.467 1.549 3.660 1.00 24.34 C ATOM 1259 CD2 LEU A 81 -6.561 0.250 2.676 1.00 14.33 C ATOM 0 H LEU A 81 -10.231 -2.069 0.951 1.00 3.12 H new ATOM 0 HA LEU A 81 -10.920 0.115 2.725 1.00 74.35 H new ATOM 0 HB2 LEU A 81 -8.950 -1.061 3.248 1.00 33.22 H new ATOM 0 HB3 LEU A 81 -8.454 -1.180 1.572 1.00 33.22 H new ATOM 0 HG LEU A 81 -8.060 1.304 1.587 1.00 73.42 H new ATOM 0 HD11 LEU A 81 -7.803 2.407 3.769 1.00 24.34 H new ATOM 0 HD12 LEU A 81 -9.483 1.898 3.476 1.00 24.34 H new ATOM 0 HD13 LEU A 81 -8.447 0.956 4.574 1.00 24.34 H new ATOM 0 HD21 LEU A 81 -5.925 1.126 2.805 1.00 14.33 H new ATOM 0 HD22 LEU A 81 -6.488 -0.385 3.559 1.00 14.33 H new ATOM 0 HD23 LEU A 81 -6.235 -0.309 1.799 1.00 14.33 H new ATOM 1271 N ALA A 82 -10.029 0.645 -0.394 1.00 2.25 N ATOM 1272 CA ALA A 82 -9.943 1.666 -1.434 1.00 74.22 C ATOM 1273 C ALA A 82 -11.302 1.942 -2.073 1.00 40.34 C ATOM 1274 O ALA A 82 -11.396 2.635 -3.090 1.00 75.03 O ATOM 1275 CB ALA A 82 -8.930 1.255 -2.492 1.00 3.21 C ATOM 0 H ALA A 82 -9.818 -0.301 -0.712 1.00 2.25 H new ATOM 0 HA ALA A 82 -9.611 2.591 -0.963 1.00 74.22 H new ATOM 0 HB1 ALA A 82 -8.875 2.025 -3.262 1.00 3.21 H new ATOM 0 HB2 ALA A 82 -7.950 1.134 -2.030 1.00 3.21 H new ATOM 0 HB3 ALA A 82 -9.238 0.312 -2.943 1.00 3.21 H new ATOM 1281 N ARG A 83 -12.353 1.427 -1.452 1.00 30.04 N ATOM 1282 CA ARG A 83 -13.704 1.604 -1.950 1.00 40.14 C ATOM 1283 C ARG A 83 -14.149 3.055 -1.809 1.00 3.15 C ATOM 1284 O ARG A 83 -14.810 3.602 -2.693 1.00 72.32 O ATOM 1285 CB ARG A 83 -14.665 0.690 -1.190 1.00 12.15 C ATOM 1286 CG ARG A 83 -14.513 -0.787 -1.517 1.00 30.42 C ATOM 1287 CD ARG A 83 -14.858 -1.089 -2.967 1.00 1.15 C ATOM 1288 NE ARG A 83 -14.703 -2.509 -3.275 1.00 31.24 N ATOM 1289 CZ ARG A 83 -14.752 -3.019 -4.506 1.00 32.42 C ATOM 1290 NH1 ARG A 83 -15.011 -2.242 -5.546 1.00 33.14 N ATOM 1291 NH2 ARG A 83 -14.555 -4.314 -4.699 1.00 11.11 N ATOM 0 H ARG A 83 -12.292 0.878 -0.594 1.00 30.04 H new ATOM 0 HA ARG A 83 -13.716 1.341 -3.008 1.00 40.14 H new ATOM 0 HB2 ARG A 83 -14.512 0.831 -0.120 1.00 12.15 H new ATOM 0 HB3 ARG A 83 -15.688 0.995 -1.409 1.00 12.15 H new ATOM 0 HG2 ARG A 83 -13.488 -1.099 -1.316 1.00 30.42 H new ATOM 0 HG3 ARG A 83 -15.159 -1.372 -0.862 1.00 30.42 H new ATOM 0 HD2 ARG A 83 -15.885 -0.783 -3.168 1.00 1.15 H new ATOM 0 HD3 ARG A 83 -14.216 -0.502 -3.624 1.00 1.15 H new ATOM 0 HE ARG A 83 -14.547 -3.151 -2.498 1.00 31.24 H new ATOM 0 HH11 ARG A 83 -15.175 -1.245 -5.409 1.00 33.14 H new ATOM 0 HH12 ARG A 83 -15.047 -2.641 -6.484 1.00 33.14 H new ATOM 0 HH21 ARG A 83 -14.365 -4.925 -3.905 1.00 11.11 H new ATOM 0 HH22 ARG A 83 -14.593 -4.701 -5.642 1.00 11.11 H new ATOM 1305 N LEU A 84 -13.763 3.679 -0.705 1.00 44.14 N ATOM 1306 CA LEU A 84 -14.183 5.045 -0.414 1.00 21.40 C ATOM 1307 C LEU A 84 -13.440 6.037 -1.279 1.00 74.54 C ATOM 1308 O LEU A 84 -13.969 7.083 -1.654 1.00 32.43 O ATOM 1309 CB LEU A 84 -13.973 5.373 1.067 1.00 62.42 C ATOM 1310 CG LEU A 84 -14.780 4.519 2.045 1.00 72.11 C ATOM 1311 CD1 LEU A 84 -14.356 4.812 3.475 1.00 74.52 C ATOM 1312 CD2 LEU A 84 -16.270 4.776 1.872 1.00 43.21 C ATOM 0 H LEU A 84 -13.160 3.262 0.004 1.00 44.14 H new ATOM 0 HA LEU A 84 -15.246 5.122 -0.641 1.00 21.40 H new ATOM 0 HB2 LEU A 84 -12.914 5.261 1.301 1.00 62.42 H new ATOM 0 HB3 LEU A 84 -14.227 6.421 1.230 1.00 62.42 H new ATOM 0 HG LEU A 84 -14.583 3.468 1.831 1.00 72.11 H new ATOM 0 HD11 LEU A 84 -14.939 4.197 4.161 1.00 74.52 H new ATOM 0 HD12 LEU A 84 -13.297 4.584 3.594 1.00 74.52 H new ATOM 0 HD13 LEU A 84 -14.528 5.865 3.697 1.00 74.52 H new ATOM 0 HD21 LEU A 84 -16.830 4.160 2.576 1.00 43.21 H new ATOM 0 HD22 LEU A 84 -16.482 5.828 2.062 1.00 43.21 H new ATOM 0 HD23 LEU A 84 -16.567 4.524 0.854 1.00 43.21 H new ATOM 1324 N GLU A 85 -12.229 5.672 -1.610 1.00 54.41 N ATOM 1325 CA GLU A 85 -11.348 6.516 -2.392 1.00 2.33 C ATOM 1326 C GLU A 85 -11.868 6.643 -3.811 1.00 12.34 C ATOM 1327 O GLU A 85 -12.014 7.741 -4.347 1.00 5.31 O ATOM 1328 CB GLU A 85 -9.945 5.923 -2.379 1.00 23.25 C ATOM 1329 CG GLU A 85 -8.840 6.956 -2.379 1.00 30.12 C ATOM 1330 CD GLU A 85 -8.787 7.773 -3.653 1.00 42.32 C ATOM 1331 OE1 GLU A 85 -8.239 7.275 -4.657 1.00 61.24 O ATOM 1332 OE2 GLU A 85 -9.293 8.914 -3.658 1.00 31.24 O ATOM 0 H GLU A 85 -11.819 4.776 -1.346 1.00 54.41 H new ATOM 0 HA GLU A 85 -11.315 7.515 -1.956 1.00 2.33 H new ATOM 0 HB2 GLU A 85 -9.837 5.291 -1.498 1.00 23.25 H new ATOM 0 HB3 GLU A 85 -9.826 5.279 -3.250 1.00 23.25 H new ATOM 0 HG2 GLU A 85 -8.978 7.626 -1.531 1.00 30.12 H new ATOM 0 HG3 GLU A 85 -7.883 6.455 -2.236 1.00 30.12 H new ATOM 1339 N HIS A 86 -12.188 5.509 -4.388 1.00 65.42 N ATOM 1340 CA HIS A 86 -12.725 5.451 -5.745 1.00 2.33 C ATOM 1341 C HIS A 86 -14.227 5.728 -5.739 1.00 22.23 C ATOM 1342 O HIS A 86 -15.013 5.054 -6.408 1.00 22.34 O ATOM 1343 CB HIS A 86 -12.414 4.097 -6.394 1.00 31.40 C ATOM 1344 CG HIS A 86 -11.007 3.993 -6.902 1.00 31.31 C ATOM 1345 ND1 HIS A 86 -10.693 3.543 -8.167 1.00 11.41 N ATOM 1346 CD2 HIS A 86 -9.824 4.291 -6.310 1.00 34.00 C ATOM 1347 CE1 HIS A 86 -9.383 3.569 -8.329 1.00 74.11 C ATOM 1348 NE2 HIS A 86 -8.832 4.020 -7.219 1.00 12.00 N ATOM 0 H HIS A 86 -12.087 4.598 -3.940 1.00 65.42 H new ATOM 0 HA HIS A 86 -12.242 6.225 -6.341 1.00 2.33 H new ATOM 0 HB2 HIS A 86 -12.590 3.304 -5.667 1.00 31.40 H new ATOM 0 HB3 HIS A 86 -13.105 3.931 -7.221 1.00 31.40 H new ATOM 0 HD2 HIS A 86 -9.688 4.671 -5.308 1.00 34.00 H new ATOM 0 HE1 HIS A 86 -8.852 3.271 -9.221 1.00 74.11 H new ATOM 0 HE2 HIS A 86 -7.832 4.147 -7.062 1.00 12.00 H new ATOM 1357 N HIS A 87 -14.599 6.729 -4.957 1.00 71.44 N ATOM 1358 CA HIS A 87 -15.967 7.224 -4.867 1.00 55.12 C ATOM 1359 C HIS A 87 -15.927 8.684 -4.442 1.00 70.33 C ATOM 1360 O HIS A 87 -16.527 9.549 -5.082 1.00 14.42 O ATOM 1361 CB HIS A 87 -16.798 6.418 -3.856 1.00 72.15 C ATOM 1362 CG HIS A 87 -17.606 5.307 -4.466 1.00 22.53 C ATOM 1363 ND1 HIS A 87 -17.856 4.114 -3.824 1.00 31.13 N ATOM 1364 CD2 HIS A 87 -18.253 5.233 -5.653 1.00 34.55 C ATOM 1365 CE1 HIS A 87 -18.616 3.354 -4.591 1.00 42.20 C ATOM 1366 NE2 HIS A 87 -18.875 4.009 -5.708 1.00 12.31 N ATOM 0 H HIS A 87 -13.947 7.231 -4.355 1.00 71.44 H new ATOM 0 HA HIS A 87 -16.440 7.117 -5.843 1.00 55.12 H new ATOM 0 HB2 HIS A 87 -16.128 5.995 -3.107 1.00 72.15 H new ATOM 0 HB3 HIS A 87 -17.472 7.097 -3.334 1.00 72.15 H new ATOM 0 HD2 HIS A 87 -18.276 5.996 -6.417 1.00 34.55 H new ATOM 0 HE1 HIS A 87 -18.967 2.363 -4.346 1.00 42.20 H new ATOM 0 HE2 HIS A 87 -19.442 3.664 -6.482 1.00 12.31 H new ATOM 1375 N HIS A 88 -15.184 8.930 -3.359 1.00 30.02 N ATOM 1376 CA HIS A 88 -14.978 10.265 -2.798 1.00 22.54 C ATOM 1377 C HIS A 88 -16.269 10.804 -2.192 1.00 61.13 C ATOM 1378 O HIS A 88 -16.393 10.887 -0.972 1.00 44.35 O ATOM 1379 CB HIS A 88 -14.403 11.229 -3.844 1.00 22.30 C ATOM 1380 CG HIS A 88 -13.202 11.984 -3.348 1.00 40.23 C ATOM 1381 ND1 HIS A 88 -11.903 11.552 -3.536 1.00 14.12 N ATOM 1382 CD2 HIS A 88 -13.111 13.143 -2.653 1.00 74.14 C ATOM 1383 CE1 HIS A 88 -11.070 12.414 -2.974 1.00 71.02 C ATOM 1384 NE2 HIS A 88 -11.779 13.384 -2.433 1.00 3.04 N ATOM 0 H HIS A 88 -14.702 8.195 -2.841 1.00 30.02 H new ATOM 0 HA HIS A 88 -14.243 10.182 -1.997 1.00 22.54 H new ATOM 0 HB2 HIS A 88 -14.129 10.667 -4.737 1.00 22.30 H new ATOM 0 HB3 HIS A 88 -15.175 11.939 -4.139 1.00 22.30 H new ATOM 0 HD2 HIS A 88 -13.935 13.763 -2.332 1.00 74.14 H new ATOM 0 HE1 HIS A 88 -9.993 12.336 -2.961 1.00 71.02 H new ATOM 0 HE2 HIS A 88 -11.398 14.186 -1.931 1.00 3.04 H new ATOM 1393 N HIS A 89 -17.233 11.154 -3.033 1.00 10.32 N ATOM 1394 CA HIS A 89 -18.551 11.542 -2.550 1.00 71.40 C ATOM 1395 C HIS A 89 -19.270 10.303 -2.035 1.00 35.24 C ATOM 1396 O HIS A 89 -19.493 9.351 -2.783 1.00 60.25 O ATOM 1397 CB HIS A 89 -19.370 12.211 -3.657 1.00 21.32 C ATOM 1398 CG HIS A 89 -18.858 13.561 -4.063 1.00 54.15 C ATOM 1399 ND1 HIS A 89 -18.180 13.780 -5.240 1.00 54.31 N ATOM 1400 CD2 HIS A 89 -18.943 14.766 -3.450 1.00 64.11 C ATOM 1401 CE1 HIS A 89 -17.870 15.059 -5.335 1.00 41.12 C ATOM 1402 NE2 HIS A 89 -18.321 15.681 -4.263 1.00 31.24 N ATOM 0 H HIS A 89 -17.128 11.177 -4.047 1.00 10.32 H new ATOM 0 HA HIS A 89 -18.436 12.266 -1.744 1.00 71.40 H new ATOM 0 HB2 HIS A 89 -19.381 11.560 -4.531 1.00 21.32 H new ATOM 0 HB3 HIS A 89 -20.402 12.311 -3.321 1.00 21.32 H new ATOM 0 HD2 HIS A 89 -19.413 14.969 -2.499 1.00 64.11 H new ATOM 0 HE1 HIS A 89 -17.336 15.519 -6.153 1.00 41.12 H new ATOM 0 HE2 HIS A 89 -18.224 16.678 -4.070 1.00 31.24 H new ATOM 1411 N HIS A 90 -19.613 10.307 -0.758 1.00 32.52 N ATOM 1412 CA HIS A 90 -20.143 9.114 -0.112 1.00 12.51 C ATOM 1413 C HIS A 90 -21.126 9.477 0.996 1.00 30.13 C ATOM 1414 O HIS A 90 -21.215 10.633 1.404 1.00 13.23 O ATOM 1415 CB HIS A 90 -18.989 8.276 0.465 1.00 65.53 C ATOM 1416 CG HIS A 90 -18.244 8.955 1.581 1.00 11.42 C ATOM 1417 ND1 HIS A 90 -17.246 9.883 1.375 1.00 62.41 N ATOM 1418 CD2 HIS A 90 -18.373 8.840 2.922 1.00 15.24 C ATOM 1419 CE1 HIS A 90 -16.797 10.308 2.542 1.00 43.54 C ATOM 1420 NE2 HIS A 90 -17.467 9.692 3.495 1.00 30.44 N ATOM 0 H HIS A 90 -19.535 11.120 -0.147 1.00 32.52 H new ATOM 0 HA HIS A 90 -20.678 8.530 -0.861 1.00 12.51 H new ATOM 0 HB2 HIS A 90 -19.387 7.329 0.830 1.00 65.53 H new ATOM 0 HB3 HIS A 90 -18.288 8.040 -0.336 1.00 65.53 H new ATOM 0 HD1 HIS A 90 -16.907 10.193 0.464 1.00 62.41 H new ATOM 0 HD2 HIS A 90 -19.063 8.195 3.445 1.00 15.24 H new ATOM 0 HE1 HIS A 90 -16.014 11.037 2.690 1.00 43.54 H new ATOM 1429 N HIS A 91 -21.849 8.480 1.483 1.00 43.13 N ATOM 1430 CA HIS A 91 -22.760 8.677 2.603 1.00 31.43 C ATOM 1431 C HIS A 91 -21.977 8.801 3.904 1.00 45.04 C ATOM 1432 O HIS A 91 -22.281 9.714 4.698 1.00 38.08 O ATOM 1433 CB HIS A 91 -23.787 7.535 2.698 1.00 23.44 C ATOM 1434 CG HIS A 91 -23.196 6.159 2.813 1.00 32.12 C ATOM 1435 ND1 HIS A 91 -23.105 5.293 1.746 1.00 71.43 N ATOM 1436 CD2 HIS A 91 -22.677 5.496 3.875 1.00 63.23 C ATOM 1437 CE1 HIS A 91 -22.557 4.159 2.144 1.00 22.22 C ATOM 1438 NE2 HIS A 91 -22.288 4.258 3.430 1.00 34.11 N ATOM 1439 OXT HIS A 91 -21.040 8.003 4.111 1.00 38.08 O ATOM 0 H HIS A 91 -21.824 7.527 1.121 1.00 43.13 H new ATOM 0 HA HIS A 91 -23.309 9.603 2.432 1.00 31.43 H new ATOM 0 HB2 HIS A 91 -24.427 7.713 3.562 1.00 23.44 H new ATOM 0 HB3 HIS A 91 -24.426 7.567 1.816 1.00 23.44 H new ATOM 0 HD2 HIS A 91 -22.587 5.872 4.883 1.00 63.23 H new ATOM 0 HE1 HIS A 91 -22.363 3.298 1.522 1.00 22.22 H new ATOM 0 HE2 HIS A 91 -21.859 3.531 4.003 1.00 34.11 H new TER 1448 HIS A 91