USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.179 (180deg=0) USER MOD Single : A 3 MET CE :methyl -177:sc= 0 (180deg=-0.0155) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0.297 (180deg=0.167) USER MOD Single : A 9 SER OG : rot 84:sc=0.000171 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.0158 (180deg=0.0096) USER MOD Single : A 16 CYS SG : rot 83:sc= 0.0301 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.4) USER MOD Single : A 40 SER OG : rot 180:sc= 0.18 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.14) USER MOD Single : A 66 SER OG : rot 71:sc= 1.2 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00575 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 1:sc= -0.0934 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.0465! C(o=-0.047!,f=-4.5!) USER MOD Single : A 88 GLN : amide:sc= -0.058 X(o=-0.058,f=-0.082) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc=-0.00943 (180deg=-0.0541) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.104 10.467 -20.661 1.00 52.44 N ATOM 2 CA GLY A 1 9.621 11.564 -19.806 1.00 45.10 C ATOM 3 C GLY A 1 10.071 11.385 -18.388 1.00 51.21 C ATOM 4 O GLY A 1 10.847 10.491 -18.137 1.00 31.43 O ATOM 0 H1 GLY A 1 10.528 10.861 -21.525 1.00 52.44 H new ATOM 0 H2 GLY A 1 10.818 9.914 -20.146 1.00 52.44 H new ATOM 0 H3 GLY A 1 9.307 9.850 -20.917 1.00 52.44 H new ATOM 0 HA2 GLY A 1 9.988 12.516 -20.189 1.00 45.10 H new ATOM 0 HA3 GLY A 1 8.532 11.604 -19.842 1.00 45.10 H new ATOM 8 N ALA A 2 9.582 12.207 -17.465 1.00 52.35 N ATOM 9 CA ALA A 2 9.925 12.047 -16.054 1.00 14.51 C ATOM 10 C ALA A 2 9.169 10.839 -15.487 1.00 14.11 C ATOM 11 O ALA A 2 9.645 10.156 -14.591 1.00 0.20 O ATOM 12 CB ALA A 2 9.557 13.318 -15.277 1.00 52.33 C ATOM 0 H ALA A 2 8.952 12.984 -17.665 1.00 52.35 H new ATOM 0 HA ALA A 2 10.998 11.880 -15.954 1.00 14.51 H new ATOM 0 HB1 ALA A 2 9.816 13.190 -14.226 1.00 52.33 H new ATOM 0 HB2 ALA A 2 10.107 14.166 -15.685 1.00 52.33 H new ATOM 0 HB3 ALA A 2 8.486 13.502 -15.367 1.00 52.33 H new ATOM 18 N MET A 3 7.994 10.584 -16.042 1.00 31.34 N ATOM 19 CA MET A 3 7.176 9.449 -15.628 1.00 1.23 C ATOM 20 C MET A 3 7.681 8.179 -16.294 1.00 20.45 C ATOM 21 O MET A 3 8.192 8.208 -17.420 1.00 43.43 O ATOM 22 CB MET A 3 5.712 9.677 -16.032 1.00 34.32 C ATOM 23 CG MET A 3 5.097 10.956 -15.460 1.00 64.10 C ATOM 24 SD MET A 3 5.223 11.057 -13.656 1.00 61.15 S ATOM 25 CE MET A 3 4.065 9.770 -13.128 1.00 1.15 C ATOM 0 H MET A 3 7.582 11.150 -16.784 1.00 31.34 H new ATOM 0 HA MET A 3 7.243 9.349 -14.545 1.00 1.23 H new ATOM 0 HB2 MET A 3 5.648 9.711 -17.120 1.00 34.32 H new ATOM 0 HB3 MET A 3 5.119 8.823 -15.704 1.00 34.32 H new ATOM 0 HG2 MET A 3 5.593 11.820 -15.902 1.00 64.10 H new ATOM 0 HG3 MET A 3 4.047 11.008 -15.749 1.00 64.10 H new ATOM 0 HE1 MET A 3 4.004 9.760 -12.040 1.00 1.15 H new ATOM 0 HE2 MET A 3 3.079 9.974 -13.545 1.00 1.15 H new ATOM 0 HE3 MET A 3 4.414 8.800 -13.481 1.00 1.15 H new ATOM 35 N ALA A 4 7.504 7.061 -15.609 1.00 52.34 N ATOM 36 CA ALA A 4 7.817 5.756 -16.175 1.00 61.41 C ATOM 37 C ALA A 4 6.776 5.471 -17.262 1.00 55.43 C ATOM 38 O ALA A 4 5.624 5.898 -17.145 1.00 72.24 O ATOM 39 CB ALA A 4 7.771 4.676 -15.085 1.00 51.33 C ATOM 0 H ALA A 4 7.143 7.030 -14.655 1.00 52.34 H new ATOM 0 HA ALA A 4 8.822 5.749 -16.598 1.00 61.41 H new ATOM 0 HB1 ALA A 4 8.007 3.706 -15.523 1.00 51.33 H new ATOM 0 HB2 ALA A 4 8.500 4.911 -14.309 1.00 51.33 H new ATOM 0 HB3 ALA A 4 6.773 4.643 -14.647 1.00 51.33 H new ATOM 45 N LYS A 5 7.162 4.741 -18.300 1.00 54.21 N ATOM 46 CA LYS A 5 6.231 4.426 -19.387 1.00 62.23 C ATOM 47 C LYS A 5 5.103 3.521 -18.879 1.00 50.34 C ATOM 48 O LYS A 5 5.346 2.383 -18.483 1.00 51.01 O ATOM 49 CB LYS A 5 6.959 3.735 -20.539 1.00 55.11 C ATOM 50 CG LYS A 5 6.089 3.600 -21.794 1.00 33.33 C ATOM 51 CD LYS A 5 6.667 2.611 -22.817 1.00 22.42 C ATOM 52 CE LYS A 5 6.518 1.144 -22.357 1.00 3.41 C ATOM 53 NZ LYS A 5 5.068 0.735 -22.194 1.00 55.23 N ATOM 0 H LYS A 5 8.100 4.358 -18.417 1.00 54.21 H new ATOM 0 HA LYS A 5 5.806 5.362 -19.748 1.00 62.23 H new ATOM 0 HB2 LYS A 5 7.859 4.299 -20.785 1.00 55.11 H new ATOM 0 HB3 LYS A 5 7.281 2.745 -20.217 1.00 55.11 H new ATOM 0 HG2 LYS A 5 5.090 3.273 -21.504 1.00 33.33 H new ATOM 0 HG3 LYS A 5 5.981 4.578 -22.262 1.00 33.33 H new ATOM 0 HD2 LYS A 5 6.162 2.743 -23.774 1.00 22.42 H new ATOM 0 HD3 LYS A 5 7.721 2.834 -22.980 1.00 22.42 H new ATOM 0 HE2 LYS A 5 6.999 0.488 -23.083 1.00 3.41 H new ATOM 0 HE3 LYS A 5 7.040 1.008 -21.410 1.00 3.41 H new ATOM 0 HZ1 LYS A 5 5.009 -0.298 -22.085 1.00 55.23 H new ATOM 0 HZ2 LYS A 5 4.670 1.196 -21.351 1.00 55.23 H new ATOM 0 HZ3 LYS A 5 4.529 1.026 -23.034 1.00 55.23 H new ATOM 67 N ALA A 6 3.885 4.028 -18.921 1.00 5.21 N ATOM 68 CA ALA A 6 2.708 3.286 -18.486 1.00 51.52 C ATOM 69 C ALA A 6 2.487 2.026 -19.345 1.00 22.13 C ATOM 70 O ALA A 6 2.935 1.963 -20.512 1.00 54.45 O ATOM 71 CB ALA A 6 1.471 4.214 -18.574 1.00 24.01 C ATOM 0 H ALA A 6 3.680 4.968 -19.258 1.00 5.21 H new ATOM 0 HA ALA A 6 2.860 2.959 -17.457 1.00 51.52 H new ATOM 0 HB1 ALA A 6 0.584 3.669 -18.251 1.00 24.01 H new ATOM 0 HB2 ALA A 6 1.620 5.081 -17.930 1.00 24.01 H new ATOM 0 HB3 ALA A 6 1.338 4.546 -19.604 1.00 24.01 H new ATOM 77 N PRO A 7 1.785 1.014 -18.795 1.00 70.44 N ATOM 78 CA PRO A 7 1.427 -0.128 -19.650 1.00 45.34 C ATOM 79 C PRO A 7 0.330 0.266 -20.647 1.00 44.11 C ATOM 80 O PRO A 7 -0.382 1.233 -20.428 1.00 13.00 O ATOM 81 CB PRO A 7 0.915 -1.159 -18.641 1.00 43.11 C ATOM 82 CG PRO A 7 0.313 -0.340 -17.569 1.00 13.11 C ATOM 83 CD PRO A 7 1.227 0.856 -17.433 1.00 63.31 C ATOM 0 HA PRO A 7 2.254 -0.497 -20.256 1.00 45.34 H new ATOM 0 HB2 PRO A 7 0.182 -1.829 -19.091 1.00 43.11 H new ATOM 0 HB3 PRO A 7 1.725 -1.782 -18.261 1.00 43.11 H new ATOM 0 HG2 PRO A 7 -0.701 -0.035 -17.827 1.00 13.11 H new ATOM 0 HG3 PRO A 7 0.250 -0.897 -16.634 1.00 13.11 H new ATOM 0 HD2 PRO A 7 0.682 1.745 -17.116 1.00 63.31 H new ATOM 0 HD3 PRO A 7 2.010 0.682 -16.695 1.00 63.31 H new ATOM 91 N GLU A 8 0.215 -0.471 -21.744 1.00 64.32 N ATOM 92 CA GLU A 8 -0.771 -0.160 -22.778 1.00 51.41 C ATOM 93 C GLU A 8 -2.186 -0.570 -22.364 1.00 33.51 C ATOM 94 O GLU A 8 -2.448 -1.746 -22.103 1.00 25.25 O ATOM 95 CB GLU A 8 -0.407 -0.910 -24.073 1.00 75.22 C ATOM 96 CG GLU A 8 -1.379 -0.674 -25.236 1.00 3.42 C ATOM 97 CD GLU A 8 -1.119 -1.595 -26.418 1.00 3.21 C ATOM 98 OE1 GLU A 8 -0.250 -1.255 -27.247 1.00 60.32 O ATOM 99 OE2 GLU A 8 -1.840 -2.617 -26.568 1.00 64.52 O ATOM 0 H GLU A 8 0.791 -1.289 -21.943 1.00 64.32 H new ATOM 0 HA GLU A 8 -0.755 0.919 -22.931 1.00 51.41 H new ATOM 0 HB2 GLU A 8 0.593 -0.608 -24.384 1.00 75.22 H new ATOM 0 HB3 GLU A 8 -0.366 -1.978 -23.861 1.00 75.22 H new ATOM 0 HG2 GLU A 8 -2.401 -0.820 -24.885 1.00 3.42 H new ATOM 0 HG3 GLU A 8 -1.300 0.362 -25.565 1.00 3.42 H new ATOM 106 N SER A 9 -3.116 0.374 -22.402 1.00 31.12 N ATOM 107 CA SER A 9 -4.533 0.047 -22.268 1.00 35.32 C ATOM 108 C SER A 9 -5.128 -0.091 -23.670 1.00 74.45 C ATOM 109 O SER A 9 -4.691 0.576 -24.610 1.00 4.41 O ATOM 110 CB SER A 9 -5.260 1.142 -21.494 1.00 24.22 C ATOM 111 OG SER A 9 -4.641 1.360 -20.243 1.00 50.22 O ATOM 0 H SER A 9 -2.919 1.367 -22.524 1.00 31.12 H new ATOM 0 HA SER A 9 -4.648 -0.887 -21.718 1.00 35.32 H new ATOM 0 HB2 SER A 9 -5.259 2.066 -22.072 1.00 24.22 H new ATOM 0 HB3 SER A 9 -6.302 0.860 -21.346 1.00 24.22 H new ATOM 0 HG SER A 9 -3.882 1.970 -20.355 1.00 50.22 H new ATOM 117 N ALA A 10 -6.143 -0.933 -23.815 1.00 73.30 N ATOM 118 CA ALA A 10 -6.747 -1.187 -25.127 1.00 0.43 C ATOM 119 C ALA A 10 -7.291 0.093 -25.784 1.00 62.24 C ATOM 120 O ALA A 10 -7.193 0.272 -26.986 1.00 23.02 O ATOM 121 CB ALA A 10 -7.865 -2.224 -24.991 1.00 70.10 C ATOM 0 H ALA A 10 -6.568 -1.452 -23.047 1.00 73.30 H new ATOM 0 HA ALA A 10 -5.961 -1.571 -25.778 1.00 0.43 H new ATOM 0 HB1 ALA A 10 -8.310 -2.409 -25.968 1.00 70.10 H new ATOM 0 HB2 ALA A 10 -7.453 -3.154 -24.598 1.00 70.10 H new ATOM 0 HB3 ALA A 10 -8.628 -1.849 -24.310 1.00 70.10 H new ATOM 127 N THR A 11 -7.846 0.985 -24.982 1.00 12.05 N ATOM 128 CA THR A 11 -8.400 2.238 -25.494 1.00 71.03 C ATOM 129 C THR A 11 -7.285 3.203 -25.902 1.00 21.42 C ATOM 130 O THR A 11 -7.411 3.936 -26.887 1.00 65.44 O ATOM 131 CB THR A 11 -9.273 2.912 -24.412 1.00 72.41 C ATOM 132 OG1 THR A 11 -10.033 1.904 -23.750 1.00 14.45 O ATOM 133 CG2 THR A 11 -10.239 3.925 -25.017 1.00 11.21 C ATOM 0 H THR A 11 -7.928 0.870 -23.972 1.00 12.05 H new ATOM 0 HA THR A 11 -9.006 2.003 -26.369 1.00 71.03 H new ATOM 0 HB THR A 11 -8.615 3.436 -23.720 1.00 72.41 H new ATOM 0 HG1 THR A 11 -10.591 2.317 -23.058 1.00 14.45 H new ATOM 0 HG21 THR A 11 -10.835 4.377 -24.225 1.00 11.21 H new ATOM 0 HG22 THR A 11 -9.675 4.701 -25.535 1.00 11.21 H new ATOM 0 HG23 THR A 11 -10.898 3.422 -25.725 1.00 11.21 H new ATOM 141 N GLU A 12 -6.216 3.228 -25.113 1.00 51.41 N ATOM 142 CA GLU A 12 -5.110 4.161 -25.306 1.00 50.30 C ATOM 143 C GLU A 12 -4.457 4.029 -26.655 1.00 42.51 C ATOM 144 O GLU A 12 -4.175 5.019 -27.302 1.00 34.22 O ATOM 145 CB GLU A 12 -4.033 3.972 -24.252 1.00 62.02 C ATOM 146 CG GLU A 12 -4.378 4.584 -22.913 1.00 3.50 C ATOM 147 CD GLU A 12 -3.351 4.227 -21.846 1.00 71.00 C ATOM 148 OE1 GLU A 12 -2.652 3.202 -22.005 1.00 33.13 O ATOM 149 OE2 GLU A 12 -3.283 4.945 -20.830 1.00 52.23 O ATOM 0 H GLU A 12 -6.091 2.600 -24.319 1.00 51.41 H new ATOM 0 HA GLU A 12 -5.558 5.151 -25.224 1.00 50.30 H new ATOM 0 HB2 GLU A 12 -3.852 2.906 -24.118 1.00 62.02 H new ATOM 0 HB3 GLU A 12 -3.103 4.411 -24.613 1.00 62.02 H new ATOM 0 HG2 GLU A 12 -4.436 5.668 -23.013 1.00 3.50 H new ATOM 0 HG3 GLU A 12 -5.363 4.239 -22.599 1.00 3.50 H new ATOM 156 N LYS A 13 -4.201 2.815 -27.099 1.00 34.52 N ATOM 157 CA LYS A 13 -3.485 2.644 -28.370 1.00 44.11 C ATOM 158 C LYS A 13 -4.262 3.207 -29.557 1.00 61.22 C ATOM 159 O LYS A 13 -3.655 3.708 -30.502 1.00 54.12 O ATOM 160 CB LYS A 13 -3.113 1.187 -28.626 1.00 34.51 C ATOM 161 CG LYS A 13 -4.278 0.210 -28.595 1.00 51.01 C ATOM 162 CD LYS A 13 -3.762 -1.146 -28.947 1.00 4.45 C ATOM 163 CE LYS A 13 -4.793 -2.229 -28.736 1.00 33.03 C ATOM 164 NZ LYS A 13 -4.098 -3.561 -28.790 1.00 44.24 N ATOM 0 H LYS A 13 -4.463 1.951 -26.625 1.00 34.52 H new ATOM 0 HA LYS A 13 -2.564 3.219 -28.272 1.00 44.11 H new ATOM 0 HB2 LYS A 13 -2.626 1.118 -29.599 1.00 34.51 H new ATOM 0 HB3 LYS A 13 -2.380 0.879 -27.880 1.00 34.51 H new ATOM 0 HG2 LYS A 13 -4.736 0.197 -27.606 1.00 51.01 H new ATOM 0 HG3 LYS A 13 -5.050 0.517 -29.300 1.00 51.01 H new ATOM 0 HD2 LYS A 13 -3.443 -1.151 -29.989 1.00 4.45 H new ATOM 0 HD3 LYS A 13 -2.881 -1.364 -28.343 1.00 4.45 H new ATOM 0 HE2 LYS A 13 -5.289 -2.099 -27.774 1.00 33.03 H new ATOM 0 HE3 LYS A 13 -5.565 -2.172 -29.503 1.00 33.03 H new ATOM 0 HZ1 LYS A 13 -4.763 -4.311 -28.513 1.00 44.24 H new ATOM 0 HZ2 LYS A 13 -3.760 -3.737 -29.758 1.00 44.24 H new ATOM 0 HZ3 LYS A 13 -3.289 -3.557 -28.136 1.00 44.24 H new ATOM 178 N VAL A 14 -5.589 3.140 -29.511 1.00 2.00 N ATOM 179 CA VAL A 14 -6.398 3.645 -30.598 1.00 1.20 C ATOM 180 C VAL A 14 -6.332 5.158 -30.630 1.00 10.42 C ATOM 181 O VAL A 14 -6.050 5.751 -31.665 1.00 22.43 O ATOM 182 CB VAL A 14 -7.890 3.182 -30.438 1.00 14.12 C ATOM 183 CG1 VAL A 14 -8.732 3.656 -31.628 1.00 61.02 C ATOM 184 CG2 VAL A 14 -7.988 1.659 -30.311 1.00 51.05 C ATOM 0 H VAL A 14 -6.118 2.742 -28.735 1.00 2.00 H new ATOM 0 HA VAL A 14 -6.008 3.246 -31.534 1.00 1.20 H new ATOM 0 HB VAL A 14 -8.277 3.631 -29.523 1.00 14.12 H new ATOM 0 HG11 VAL A 14 -9.763 3.326 -31.499 1.00 61.02 H new ATOM 0 HG12 VAL A 14 -8.704 4.744 -31.683 1.00 61.02 H new ATOM 0 HG13 VAL A 14 -8.329 3.236 -32.549 1.00 61.02 H new ATOM 0 HG21 VAL A 14 -9.033 1.370 -30.202 1.00 51.05 H new ATOM 0 HG22 VAL A 14 -7.574 1.192 -31.205 1.00 51.05 H new ATOM 0 HG23 VAL A 14 -7.427 1.330 -29.436 1.00 51.05 H new ATOM 194 N LEU A 15 -6.553 5.784 -29.489 1.00 41.31 N ATOM 195 CA LEU A 15 -6.544 7.244 -29.430 1.00 24.54 C ATOM 196 C LEU A 15 -5.132 7.810 -29.626 1.00 33.05 C ATOM 197 O LEU A 15 -4.976 8.878 -30.204 1.00 2.12 O ATOM 198 CB LEU A 15 -7.198 7.747 -28.136 1.00 53.40 C ATOM 199 CG LEU A 15 -6.699 7.144 -26.812 1.00 33.34 C ATOM 200 CD1 LEU A 15 -5.598 7.999 -26.185 1.00 13.22 C ATOM 201 CD2 LEU A 15 -7.812 7.009 -25.841 1.00 21.03 C ATOM 0 H LEU A 15 -6.739 5.319 -28.601 1.00 41.31 H new ATOM 0 HA LEU A 15 -7.145 7.616 -30.260 1.00 24.54 H new ATOM 0 HB2 LEU A 15 -7.061 8.827 -28.087 1.00 53.40 H new ATOM 0 HB3 LEU A 15 -8.270 7.564 -28.207 1.00 53.40 H new ATOM 0 HG LEU A 15 -6.293 6.160 -27.045 1.00 33.34 H new ATOM 0 HD11 LEU A 15 -5.270 7.542 -25.251 1.00 13.22 H new ATOM 0 HD12 LEU A 15 -4.754 8.067 -26.872 1.00 13.22 H new ATOM 0 HD13 LEU A 15 -5.983 8.999 -25.984 1.00 13.22 H new ATOM 0 HD21 LEU A 15 -7.435 6.580 -24.912 1.00 21.03 H new ATOM 0 HD22 LEU A 15 -8.240 7.991 -25.640 1.00 21.03 H new ATOM 0 HD23 LEU A 15 -8.580 6.356 -26.256 1.00 21.03 H new ATOM 213 N CYS A 16 -4.110 7.081 -29.215 1.00 63.51 N ATOM 214 CA CYS A 16 -2.725 7.494 -29.466 1.00 1.03 C ATOM 215 C CYS A 16 -2.438 7.536 -30.962 1.00 53.21 C ATOM 216 O CYS A 16 -1.849 8.488 -31.448 1.00 33.14 O ATOM 217 CB CYS A 16 -1.750 6.538 -28.784 1.00 71.21 C ATOM 218 SG CYS A 16 -1.558 6.788 -27.011 1.00 13.32 S ATOM 0 H CYS A 16 -4.204 6.202 -28.707 1.00 63.51 H new ATOM 0 HA CYS A 16 -2.592 8.494 -29.053 1.00 1.03 H new ATOM 0 HB2 CYS A 16 -2.085 5.515 -28.958 1.00 71.21 H new ATOM 0 HB3 CYS A 16 -0.774 6.638 -29.258 1.00 71.21 H new ATOM 0 HG CYS A 16 -2.524 6.188 -26.381 1.00 13.32 H new ATOM 224 N ALA A 17 -2.854 6.523 -31.703 1.00 52.53 N ATOM 225 CA ALA A 17 -2.638 6.530 -33.147 1.00 50.33 C ATOM 226 C ALA A 17 -3.439 7.672 -33.787 1.00 41.34 C ATOM 227 O ALA A 17 -2.958 8.357 -34.682 1.00 54.54 O ATOM 228 CB ALA A 17 -3.038 5.184 -33.749 1.00 21.34 C ATOM 0 H ALA A 17 -3.334 5.699 -31.342 1.00 52.53 H new ATOM 0 HA ALA A 17 -1.579 6.691 -33.349 1.00 50.33 H new ATOM 0 HB1 ALA A 17 -2.872 5.203 -34.826 1.00 21.34 H new ATOM 0 HB2 ALA A 17 -2.436 4.393 -33.303 1.00 21.34 H new ATOM 0 HB3 ALA A 17 -4.092 4.994 -33.548 1.00 21.34 H new ATOM 234 N LEU A 18 -4.630 7.913 -33.258 1.00 70.44 N ATOM 235 CA LEU A 18 -5.499 8.997 -33.714 1.00 12.33 C ATOM 236 C LEU A 18 -4.838 10.361 -33.462 1.00 54.34 C ATOM 237 O LEU A 18 -4.950 11.249 -34.294 1.00 43.52 O ATOM 238 CB LEU A 18 -6.827 8.938 -33.012 1.00 11.01 C ATOM 239 CG LEU A 18 -7.982 8.336 -33.837 1.00 34.43 C ATOM 240 CD1 LEU A 18 -7.684 7.022 -34.525 1.00 41.41 C ATOM 241 CD2 LEU A 18 -9.149 8.097 -32.949 1.00 11.35 C ATOM 0 H LEU A 18 -5.026 7.362 -32.497 1.00 70.44 H new ATOM 0 HA LEU A 18 -5.659 8.875 -34.785 1.00 12.33 H new ATOM 0 HB2 LEU A 18 -6.711 8.354 -32.099 1.00 11.01 H new ATOM 0 HB3 LEU A 18 -7.105 9.948 -32.711 1.00 11.01 H new ATOM 0 HG LEU A 18 -8.167 9.073 -34.619 1.00 34.43 H new ATOM 0 HD11 LEU A 18 -8.565 6.691 -35.075 1.00 41.41 H new ATOM 0 HD12 LEU A 18 -6.852 7.154 -35.217 1.00 41.41 H new ATOM 0 HD13 LEU A 18 -7.420 6.272 -33.779 1.00 41.41 H new ATOM 0 HD21 LEU A 18 -9.967 7.671 -33.530 1.00 11.35 H new ATOM 0 HD22 LEU A 18 -8.867 7.403 -32.157 1.00 11.35 H new ATOM 0 HD23 LEU A 18 -9.470 9.041 -32.508 1.00 11.35 H new ATOM 253 N TYR A 19 -4.146 10.546 -32.344 1.00 23.11 N ATOM 254 CA TYR A 19 -3.455 11.787 -32.066 1.00 54.32 C ATOM 255 C TYR A 19 -2.489 12.028 -33.225 1.00 1.24 C ATOM 256 O TYR A 19 -2.421 13.133 -33.728 1.00 32.33 O ATOM 257 CB TYR A 19 -2.642 11.709 -30.782 1.00 33.45 C ATOM 258 CG TYR A 19 -3.273 12.285 -29.528 1.00 2.52 C ATOM 259 CD1 TYR A 19 -4.525 11.862 -29.087 1.00 22.12 C ATOM 260 CD2 TYR A 19 -2.527 13.160 -28.678 1.00 11.52 C ATOM 261 CE1 TYR A 19 -5.070 12.322 -27.857 1.00 40.21 C ATOM 262 CE2 TYR A 19 -3.076 13.619 -27.460 1.00 4.43 C ATOM 263 CZ TYR A 19 -4.358 13.223 -27.071 1.00 2.11 C ATOM 264 OH TYR A 19 -4.864 13.665 -25.866 1.00 72.42 O ATOM 0 H TYR A 19 -4.052 9.841 -31.613 1.00 23.11 H new ATOM 0 HA TYR A 19 -4.188 12.586 -31.952 1.00 54.32 H new ATOM 0 HB2 TYR A 19 -2.409 10.661 -30.593 1.00 33.45 H new ATOM 0 HB3 TYR A 19 -1.695 12.221 -30.950 1.00 33.45 H new ATOM 0 HD1 TYR A 19 -5.093 11.171 -29.692 1.00 22.12 H new ATOM 0 HD2 TYR A 19 -1.535 13.473 -28.970 1.00 11.52 H new ATOM 0 HE1 TYR A 19 -6.038 11.971 -27.532 1.00 40.21 H new ATOM 0 HE2 TYR A 19 -2.502 14.279 -26.827 1.00 4.43 H new ATOM 0 HH TYR A 19 -4.230 14.289 -25.454 1.00 72.42 H new ATOM 274 N ALA A 20 -1.753 10.980 -33.636 1.00 72.40 N ATOM 275 CA ALA A 20 -0.758 11.139 -34.675 1.00 12.34 C ATOM 276 C ALA A 20 -1.328 11.613 -36.016 1.00 23.01 C ATOM 277 O ALA A 20 -0.774 12.480 -36.675 1.00 34.10 O ATOM 278 CB ALA A 20 -0.040 9.776 -34.912 1.00 65.31 C ATOM 0 H ALA A 20 -1.836 10.034 -33.263 1.00 72.40 H new ATOM 0 HA ALA A 20 -0.074 11.910 -34.321 1.00 12.34 H new ATOM 0 HB1 ALA A 20 0.710 9.891 -35.694 1.00 65.31 H new ATOM 0 HB2 ALA A 20 0.444 9.454 -33.990 1.00 65.31 H new ATOM 0 HB3 ALA A 20 -0.771 9.028 -35.218 1.00 65.31 H new ATOM 284 N GLU A 21 -2.502 11.101 -36.381 1.00 4.05 N ATOM 285 CA GLU A 21 -3.172 11.523 -37.613 1.00 73.44 C ATOM 286 C GLU A 21 -3.654 12.971 -37.559 1.00 65.42 C ATOM 287 O GLU A 21 -3.591 13.703 -38.547 1.00 0.14 O ATOM 288 CB GLU A 21 -4.424 10.660 -37.849 1.00 40.04 C ATOM 289 CG GLU A 21 -4.143 9.216 -38.081 1.00 45.13 C ATOM 290 CD GLU A 21 -5.404 8.476 -38.424 1.00 44.31 C ATOM 291 OE1 GLU A 21 -6.316 8.421 -37.579 1.00 10.02 O ATOM 292 OE2 GLU A 21 -5.544 8.036 -39.590 1.00 71.31 O ATOM 0 H GLU A 21 -3.008 10.396 -35.845 1.00 4.05 H new ATOM 0 HA GLU A 21 -2.434 11.414 -38.408 1.00 73.44 H new ATOM 0 HB2 GLU A 21 -5.083 10.755 -36.986 1.00 40.04 H new ATOM 0 HB3 GLU A 21 -4.965 11.055 -38.709 1.00 40.04 H new ATOM 0 HG2 GLU A 21 -3.420 9.107 -38.890 1.00 45.13 H new ATOM 0 HG3 GLU A 21 -3.692 8.781 -37.189 1.00 45.13 H new ATOM 299 N ILE A 22 -4.204 13.331 -36.413 1.00 23.34 N ATOM 300 CA ILE A 22 -4.836 14.609 -36.223 1.00 60.23 C ATOM 301 C ILE A 22 -3.802 15.736 -36.060 1.00 73.23 C ATOM 302 O ILE A 22 -3.977 16.851 -36.541 1.00 21.44 O ATOM 303 CB ILE A 22 -5.777 14.520 -34.953 1.00 63.32 C ATOM 304 CG1 ILE A 22 -6.962 13.583 -35.239 1.00 31.40 C ATOM 305 CG2 ILE A 22 -6.302 15.916 -34.525 1.00 63.53 C ATOM 306 CD1 ILE A 22 -7.929 13.999 -36.309 1.00 10.21 C ATOM 0 H ILE A 22 -4.221 12.734 -35.586 1.00 23.34 H new ATOM 0 HA ILE A 22 -5.425 14.851 -37.107 1.00 60.23 H new ATOM 0 HB ILE A 22 -5.183 14.120 -34.131 1.00 63.32 H new ATOM 0 HG12 ILE A 22 -6.561 12.606 -35.509 1.00 31.40 H new ATOM 0 HG13 ILE A 22 -7.521 13.454 -34.312 1.00 31.40 H new ATOM 0 HG21 ILE A 22 -6.944 15.811 -33.650 1.00 63.53 H new ATOM 0 HG22 ILE A 22 -5.459 16.563 -34.281 1.00 63.53 H new ATOM 0 HG23 ILE A 22 -6.872 16.357 -35.343 1.00 63.53 H new ATOM 0 HD11 ILE A 22 -8.712 13.247 -36.404 1.00 10.21 H new ATOM 0 HD12 ILE A 22 -8.376 14.957 -36.043 1.00 10.21 H new ATOM 0 HD13 ILE A 22 -7.402 14.096 -37.258 1.00 10.21 H new ATOM 318 N LEU A 23 -2.714 15.412 -35.389 1.00 41.10 N ATOM 319 CA LEU A 23 -1.651 16.382 -35.083 1.00 21.45 C ATOM 320 C LEU A 23 -0.556 16.404 -36.159 1.00 33.13 C ATOM 321 O LEU A 23 0.209 17.348 -36.227 1.00 50.12 O ATOM 322 CB LEU A 23 -1.059 16.082 -33.722 1.00 72.55 C ATOM 323 CG LEU A 23 -2.052 16.256 -32.570 1.00 22.51 C ATOM 324 CD1 LEU A 23 -1.675 15.391 -31.398 1.00 63.14 C ATOM 325 CD2 LEU A 23 -2.107 17.724 -32.126 1.00 62.04 C ATOM 0 H LEU A 23 -2.531 14.473 -35.036 1.00 41.10 H new ATOM 0 HA LEU A 23 -2.100 17.375 -35.071 1.00 21.45 H new ATOM 0 HB2 LEU A 23 -0.684 15.059 -33.716 1.00 72.55 H new ATOM 0 HB3 LEU A 23 -0.203 16.736 -33.555 1.00 72.55 H new ATOM 0 HG LEU A 23 -3.035 15.951 -32.929 1.00 22.51 H new ATOM 0 HD11 LEU A 23 -2.397 15.534 -30.594 1.00 63.14 H new ATOM 0 HD12 LEU A 23 -1.674 14.345 -31.703 1.00 63.14 H new ATOM 0 HD13 LEU A 23 -0.681 15.667 -31.047 1.00 63.14 H new ATOM 0 HD21 LEU A 23 -2.818 17.830 -31.306 1.00 62.04 H new ATOM 0 HD22 LEU A 23 -1.119 18.041 -31.792 1.00 62.04 H new ATOM 0 HD23 LEU A 23 -2.424 18.346 -32.963 1.00 62.04 H new ATOM 337 N GLY A 24 -0.476 15.351 -36.960 1.00 32.54 N ATOM 338 CA GLY A 24 0.535 15.283 -37.996 1.00 5.40 C ATOM 339 C GLY A 24 1.919 15.004 -37.455 1.00 22.54 C ATOM 340 O GLY A 24 2.908 15.521 -37.972 1.00 33.34 O ATOM 0 H GLY A 24 -1.094 14.541 -36.911 1.00 32.54 H new ATOM 0 HA2 GLY A 24 0.265 14.503 -38.708 1.00 5.40 H new ATOM 0 HA3 GLY A 24 0.549 16.225 -38.545 1.00 5.40 H new ATOM 344 N VAL A 25 1.994 14.203 -36.400 1.00 21.04 N ATOM 345 CA VAL A 25 3.275 13.901 -35.739 1.00 53.41 C ATOM 346 C VAL A 25 3.673 12.434 -35.949 1.00 5.13 C ATOM 347 O VAL A 25 2.830 11.579 -36.182 1.00 53.35 O ATOM 348 CB VAL A 25 3.242 14.248 -34.220 1.00 62.23 C ATOM 349 CG1 VAL A 25 3.019 15.756 -34.022 1.00 23.32 C ATOM 350 CG2 VAL A 25 2.139 13.458 -33.477 1.00 33.42 C ATOM 0 H VAL A 25 1.186 13.746 -35.977 1.00 21.04 H new ATOM 0 HA VAL A 25 4.031 14.533 -36.205 1.00 53.41 H new ATOM 0 HB VAL A 25 4.206 13.963 -33.799 1.00 62.23 H new ATOM 0 HG11 VAL A 25 2.998 15.984 -32.956 1.00 23.32 H new ATOM 0 HG12 VAL A 25 3.830 16.309 -34.496 1.00 23.32 H new ATOM 0 HG13 VAL A 25 2.070 16.046 -34.474 1.00 23.32 H new ATOM 0 HG21 VAL A 25 2.148 13.727 -32.421 1.00 33.42 H new ATOM 0 HG22 VAL A 25 1.166 13.700 -33.905 1.00 33.42 H new ATOM 0 HG23 VAL A 25 2.325 12.389 -33.581 1.00 33.42 H new ATOM 360 N GLU A 26 4.975 12.171 -35.907 1.00 2.11 N ATOM 361 CA GLU A 26 5.538 10.848 -36.192 1.00 33.11 C ATOM 362 C GLU A 26 5.184 9.803 -35.156 1.00 2.22 C ATOM 363 O GLU A 26 5.045 8.581 -35.491 1.00 43.54 O ATOM 364 CB GLU A 26 7.037 10.953 -36.179 1.00 42.53 C ATOM 365 CG GLU A 26 7.606 11.973 -37.160 1.00 54.45 C ATOM 366 CD GLU A 26 9.115 11.905 -37.256 1.00 3.43 C ATOM 367 OE1 GLU A 26 9.774 11.974 -36.171 1.00 12.41 O ATOM 368 OE2 GLU A 26 9.640 11.782 -38.362 1.00 11.20 O ATOM 0 H GLU A 26 5.678 12.872 -35.673 1.00 2.11 H new ATOM 0 HA GLU A 26 5.127 10.542 -37.154 1.00 33.11 H new ATOM 0 HB2 GLU A 26 7.362 11.215 -35.172 1.00 42.53 H new ATOM 0 HB3 GLU A 26 7.460 9.974 -36.406 1.00 42.53 H new ATOM 0 HG2 GLU A 26 7.174 11.804 -38.146 1.00 54.45 H new ATOM 0 HG3 GLU A 26 7.310 12.975 -36.850 1.00 54.45 H new ATOM 375 N ARG A 27 5.033 10.213 -33.897 1.00 71.24 N ATOM 376 CA ARG A 27 4.887 9.254 -32.864 1.00 55.15 C ATOM 377 C ARG A 27 4.079 9.951 -31.759 1.00 3.02 C ATOM 378 O ARG A 27 4.257 11.107 -31.501 1.00 43.05 O ATOM 379 CB ARG A 27 6.208 8.976 -32.144 1.00 72.34 C ATOM 380 CG ARG A 27 6.260 7.627 -31.356 1.00 45.52 C ATOM 381 CD ARG A 27 7.702 7.450 -30.867 1.00 32.44 C ATOM 382 NE ARG A 27 8.146 8.585 -30.036 1.00 43.40 N ATOM 383 CZ ARG A 27 9.383 8.806 -29.618 1.00 45.33 C ATOM 384 NH1 ARG A 27 10.373 7.998 -29.901 1.00 60.41 N ATOM 385 NH2 ARG A 27 9.624 9.872 -28.902 1.00 23.22 N ATOM 0 H ARG A 27 5.012 11.188 -33.597 1.00 71.24 H new ATOM 0 HA ARG A 27 4.467 8.349 -33.304 1.00 55.15 H new ATOM 0 HB2 ARG A 27 7.013 8.981 -32.879 1.00 72.34 H new ATOM 0 HB3 ARG A 27 6.405 9.793 -31.450 1.00 72.34 H new ATOM 0 HG2 ARG A 27 5.567 7.645 -30.515 1.00 45.52 H new ATOM 0 HG3 ARG A 27 5.965 6.795 -31.995 1.00 45.52 H new ATOM 0 HD2 ARG A 27 7.779 6.527 -30.292 1.00 32.44 H new ATOM 0 HD3 ARG A 27 8.366 7.347 -31.725 1.00 32.44 H new ATOM 0 HE ARG A 27 7.435 9.262 -29.758 1.00 43.40 H new ATOM 0 HH11 ARG A 27 10.205 7.163 -30.462 1.00 60.41 H new ATOM 0 HH12 ARG A 27 11.312 8.203 -29.560 1.00 60.41 H new ATOM 0 HH21 ARG A 27 8.866 10.516 -28.675 1.00 23.22 H new ATOM 0 HH22 ARG A 27 10.570 10.060 -28.570 1.00 23.22 H new ATOM 399 N VAL A 28 3.447 9.167 -30.937 1.00 64.23 N ATOM 400 CA VAL A 28 2.776 9.646 -29.765 1.00 12.24 C ATOM 401 C VAL A 28 3.074 8.804 -28.497 1.00 54.34 C ATOM 402 O VAL A 28 2.995 7.568 -28.478 1.00 23.33 O ATOM 403 CB VAL A 28 1.236 9.621 -29.961 1.00 62.05 C ATOM 404 CG1 VAL A 28 0.521 10.384 -28.869 1.00 4.33 C ATOM 405 CG2 VAL A 28 0.894 10.322 -31.356 1.00 75.04 C ATOM 0 H VAL A 28 3.382 8.157 -31.065 1.00 64.23 H new ATOM 0 HA VAL A 28 3.152 10.659 -29.621 1.00 12.24 H new ATOM 0 HB VAL A 28 0.906 8.583 -29.935 1.00 62.05 H new ATOM 0 HG11 VAL A 28 -0.555 10.343 -29.041 1.00 4.33 H new ATOM 0 HG12 VAL A 28 0.751 9.936 -27.902 1.00 4.33 H new ATOM 0 HG13 VAL A 28 0.851 11.423 -28.875 1.00 4.33 H new ATOM 0 HG21 VAL A 28 -0.185 10.314 -31.512 1.00 75.04 H new ATOM 0 HG22 VAL A 28 1.252 11.352 -31.343 1.00 75.04 H new ATOM 0 HG23 VAL A 28 1.382 9.779 -32.165 1.00 75.04 H new ATOM 415 N GLY A 29 3.455 9.456 -27.399 1.00 64.41 N ATOM 416 CA GLY A 29 3.614 8.797 -26.130 1.00 1.32 C ATOM 417 C GLY A 29 2.393 8.901 -25.235 1.00 75.05 C ATOM 418 O GLY A 29 1.502 9.693 -25.509 1.00 21.33 O ATOM 0 H GLY A 29 3.659 10.455 -27.378 1.00 64.41 H new ATOM 0 HA2 GLY A 29 3.839 7.745 -26.302 1.00 1.32 H new ATOM 0 HA3 GLY A 29 4.472 9.226 -25.612 1.00 1.32 H new ATOM 422 N VAL A 30 2.371 8.149 -24.142 1.00 24.34 N ATOM 423 CA VAL A 30 1.246 8.241 -23.203 1.00 11.03 C ATOM 424 C VAL A 30 1.121 9.597 -22.462 1.00 44.55 C ATOM 425 O VAL A 30 0.053 9.990 -22.037 1.00 33.35 O ATOM 426 CB VAL A 30 1.362 7.097 -22.119 1.00 14.01 C ATOM 427 CG1 VAL A 30 0.672 5.820 -22.606 1.00 74.11 C ATOM 428 CG2 VAL A 30 2.814 6.858 -21.743 1.00 14.25 C ATOM 0 H VAL A 30 3.098 7.482 -23.882 1.00 24.34 H new ATOM 0 HA VAL A 30 0.353 8.137 -23.820 1.00 11.03 H new ATOM 0 HB VAL A 30 0.845 7.417 -21.214 1.00 14.01 H new ATOM 0 HG11 VAL A 30 0.763 5.045 -21.845 1.00 74.11 H new ATOM 0 HG12 VAL A 30 -0.382 6.024 -22.791 1.00 74.11 H new ATOM 0 HG13 VAL A 30 1.144 5.481 -23.528 1.00 74.11 H new ATOM 0 HG21 VAL A 30 2.871 6.067 -20.996 1.00 14.25 H new ATOM 0 HG22 VAL A 30 3.375 6.561 -22.629 1.00 14.25 H new ATOM 0 HG23 VAL A 30 3.240 7.774 -21.334 1.00 14.25 H new ATOM 438 N ASP A 31 2.243 10.295 -22.368 1.00 43.14 N ATOM 439 CA ASP A 31 2.304 11.570 -21.708 1.00 10.42 C ATOM 440 C ASP A 31 2.246 12.795 -22.638 1.00 71.25 C ATOM 441 O ASP A 31 2.460 13.932 -22.229 1.00 42.14 O ATOM 442 CB ASP A 31 3.590 11.660 -20.889 1.00 53.43 C ATOM 443 CG ASP A 31 3.662 10.644 -19.774 1.00 43.11 C ATOM 444 OD1 ASP A 31 2.717 10.543 -18.956 1.00 14.42 O ATOM 445 OD2 ASP A 31 4.707 9.966 -19.696 1.00 22.32 O ATOM 0 H ASP A 31 3.135 9.983 -22.752 1.00 43.14 H new ATOM 0 HA ASP A 31 1.408 11.608 -21.088 1.00 10.42 H new ATOM 0 HB2 ASP A 31 4.445 11.523 -21.552 1.00 53.43 H new ATOM 0 HB3 ASP A 31 3.673 12.661 -20.465 1.00 53.43 H new ATOM 450 N ASP A 32 2.074 12.560 -23.913 1.00 62.31 N ATOM 451 CA ASP A 32 2.239 13.610 -24.893 1.00 22.45 C ATOM 452 C ASP A 32 1.026 14.518 -24.901 1.00 2.30 C ATOM 453 O ASP A 32 -0.080 14.086 -25.166 1.00 21.31 O ATOM 454 CB ASP A 32 2.480 13.038 -26.293 1.00 42.33 C ATOM 455 CG ASP A 32 3.955 13.049 -26.673 1.00 55.15 C ATOM 456 OD1 ASP A 32 4.665 14.033 -26.389 1.00 32.22 O ATOM 457 OD2 ASP A 32 4.405 12.039 -27.241 1.00 22.15 O ATOM 0 H ASP A 32 1.820 11.651 -24.300 1.00 62.31 H new ATOM 0 HA ASP A 32 3.118 14.191 -24.613 1.00 22.45 H new ATOM 0 HB2 ASP A 32 2.103 12.016 -26.336 1.00 42.33 H new ATOM 0 HB3 ASP A 32 1.914 13.617 -27.023 1.00 42.33 H new ATOM 462 N ALA A 33 1.208 15.786 -24.560 1.00 32.31 N ATOM 463 CA ALA A 33 0.075 16.685 -24.470 1.00 64.43 C ATOM 464 C ALA A 33 -0.315 17.115 -25.881 1.00 2.02 C ATOM 465 O ALA A 33 0.492 17.568 -26.661 1.00 11.15 O ATOM 466 CB ALA A 33 0.412 17.883 -23.613 1.00 33.33 C ATOM 0 H ALA A 33 2.112 16.206 -24.346 1.00 32.31 H new ATOM 0 HA ALA A 33 -0.766 16.175 -23.999 1.00 64.43 H new ATOM 0 HB1 ALA A 33 -0.452 18.546 -23.558 1.00 33.33 H new ATOM 0 HB2 ALA A 33 0.678 17.550 -22.610 1.00 33.33 H new ATOM 0 HB3 ALA A 33 1.253 18.419 -24.052 1.00 33.33 H new ATOM 472 N PHE A 34 -1.601 17.038 -26.137 1.00 61.03 N ATOM 473 CA PHE A 34 -2.189 17.398 -27.433 1.00 72.32 C ATOM 474 C PHE A 34 -1.797 18.847 -27.792 1.00 52.45 C ATOM 475 O PHE A 34 -1.520 19.175 -28.941 1.00 61.21 O ATOM 476 CB PHE A 34 -3.714 17.274 -27.331 1.00 23.10 C ATOM 477 CG PHE A 34 -4.444 17.462 -28.631 1.00 60.44 C ATOM 478 CD1 PHE A 34 -4.640 16.400 -29.505 1.00 14.11 C ATOM 479 CD2 PHE A 34 -4.966 18.743 -28.958 1.00 1.40 C ATOM 480 CE1 PHE A 34 -5.359 16.584 -30.713 1.00 64.55 C ATOM 481 CE2 PHE A 34 -5.702 18.940 -30.176 1.00 65.30 C ATOM 482 CZ PHE A 34 -5.884 17.834 -31.052 1.00 11.35 C ATOM 0 H PHE A 34 -2.287 16.721 -25.452 1.00 61.03 H new ATOM 0 HA PHE A 34 -1.819 16.732 -28.212 1.00 72.32 H new ATOM 0 HB2 PHE A 34 -3.960 16.291 -26.930 1.00 23.10 H new ATOM 0 HB3 PHE A 34 -4.078 18.010 -26.615 1.00 23.10 H new ATOM 0 HD1 PHE A 34 -4.241 15.426 -29.262 1.00 14.11 H new ATOM 0 HD2 PHE A 34 -4.808 19.574 -28.286 1.00 1.40 H new ATOM 0 HE1 PHE A 34 -5.503 15.747 -31.380 1.00 64.55 H new ATOM 0 HE2 PHE A 34 -6.109 19.909 -30.422 1.00 65.30 H new ATOM 0 HZ PHE A 34 -6.427 17.960 -31.977 1.00 11.35 H new ATOM 492 N HIS A 35 -1.743 19.735 -26.790 1.00 54.12 N ATOM 493 CA HIS A 35 -1.378 21.137 -27.030 1.00 70.02 C ATOM 494 C HIS A 35 0.132 21.364 -27.202 1.00 61.24 C ATOM 495 O HIS A 35 0.523 22.393 -27.715 1.00 72.24 O ATOM 496 CB HIS A 35 -1.915 22.023 -25.895 1.00 51.43 C ATOM 497 CG HIS A 35 -1.232 21.801 -24.579 1.00 72.13 C ATOM 498 ND1 HIS A 35 -1.872 21.321 -23.426 1.00 61.53 N ATOM 499 CD2 HIS A 35 0.051 21.998 -24.198 1.00 1.52 C ATOM 500 CE1 HIS A 35 -0.972 21.227 -22.452 1.00 61.23 C ATOM 501 NE2 HIS A 35 0.187 21.623 -22.904 1.00 62.02 N ATOM 0 H HIS A 35 -1.945 19.511 -25.816 1.00 54.12 H new ATOM 0 HA HIS A 35 -1.840 21.414 -27.978 1.00 70.02 H new ATOM 0 HB2 HIS A 35 -1.803 23.069 -26.180 1.00 51.43 H new ATOM 0 HB3 HIS A 35 -2.982 21.837 -25.776 1.00 51.43 H new ATOM 0 HD2 HIS A 35 0.839 22.391 -24.824 1.00 1.52 H new ATOM 0 HE1 HIS A 35 -1.168 20.879 -21.449 1.00 61.23 H new ATOM 0 HE2 HIS A 35 1.055 21.646 -22.369 1.00 62.02 H new ATOM 509 N ASP A 36 0.968 20.424 -26.764 1.00 73.24 N ATOM 510 CA ASP A 36 2.428 20.586 -26.902 1.00 11.50 C ATOM 511 C ASP A 36 2.783 20.189 -28.321 1.00 24.34 C ATOM 512 O ASP A 36 3.699 20.722 -28.932 1.00 21.40 O ATOM 513 CB ASP A 36 3.209 19.699 -25.921 1.00 44.42 C ATOM 514 CG ASP A 36 3.158 20.209 -24.482 1.00 34.02 C ATOM 515 OD1 ASP A 36 2.855 21.402 -24.273 1.00 21.34 O ATOM 516 OD2 ASP A 36 3.340 19.393 -23.559 1.00 55.42 O ATOM 0 H ASP A 36 0.674 19.555 -26.318 1.00 73.24 H new ATOM 0 HA ASP A 36 2.697 21.619 -26.680 1.00 11.50 H new ATOM 0 HB2 ASP A 36 2.806 18.687 -25.956 1.00 44.42 H new ATOM 0 HB3 ASP A 36 4.249 19.640 -26.243 1.00 44.42 H new ATOM 521 N LEU A 37 1.991 19.271 -28.851 1.00 34.11 N ATOM 522 CA LEU A 37 2.141 18.781 -30.219 1.00 4.14 C ATOM 523 C LEU A 37 1.470 19.725 -31.236 1.00 72.41 C ATOM 524 O LEU A 37 1.184 19.333 -32.361 1.00 74.43 O ATOM 525 CB LEU A 37 1.525 17.371 -30.311 1.00 32.11 C ATOM 526 CG LEU A 37 2.074 16.245 -29.395 1.00 73.03 C ATOM 527 CD1 LEU A 37 1.270 14.993 -29.500 1.00 30.33 C ATOM 528 CD2 LEU A 37 3.537 15.901 -29.723 1.00 35.12 C ATOM 0 H LEU A 37 1.219 18.839 -28.343 1.00 34.11 H new ATOM 0 HA LEU A 37 3.202 18.743 -30.465 1.00 4.14 H new ATOM 0 HB2 LEU A 37 0.458 17.465 -30.111 1.00 32.11 H new ATOM 0 HB3 LEU A 37 1.628 17.034 -31.343 1.00 32.11 H new ATOM 0 HG LEU A 37 2.006 16.637 -28.380 1.00 73.03 H new ATOM 0 HD11 LEU A 37 1.692 14.234 -28.841 1.00 30.33 H new ATOM 0 HD12 LEU A 37 0.240 15.196 -29.207 1.00 30.33 H new ATOM 0 HD13 LEU A 37 1.290 14.633 -30.529 1.00 30.33 H new ATOM 0 HD21 LEU A 37 3.882 15.109 -29.059 1.00 35.12 H new ATOM 0 HD22 LEU A 37 3.609 15.565 -30.757 1.00 35.12 H new ATOM 0 HD23 LEU A 37 4.158 16.786 -29.586 1.00 35.12 H new ATOM 540 N GLY A 38 1.235 20.964 -30.825 1.00 25.11 N ATOM 541 CA GLY A 38 0.681 21.976 -31.714 1.00 73.32 C ATOM 542 C GLY A 38 -0.835 22.002 -31.840 1.00 4.22 C ATOM 543 O GLY A 38 -1.394 22.783 -32.605 1.00 71.14 O ATOM 0 H GLY A 38 1.420 21.293 -29.878 1.00 25.11 H new ATOM 0 HA2 GLY A 38 1.013 22.955 -31.368 1.00 73.32 H new ATOM 0 HA3 GLY A 38 1.105 21.829 -32.707 1.00 73.32 H new ATOM 547 N GLY A 39 -1.514 21.146 -31.092 1.00 41.13 N ATOM 548 CA GLY A 39 -2.959 21.069 -31.177 1.00 1.31 C ATOM 549 C GLY A 39 -3.697 22.265 -30.619 1.00 70.15 C ATOM 550 O GLY A 39 -3.251 22.904 -29.668 1.00 31.43 O ATOM 0 H GLY A 39 -1.090 20.501 -30.425 1.00 41.13 H new ATOM 0 HA2 GLY A 39 -3.240 20.943 -32.223 1.00 1.31 H new ATOM 0 HA3 GLY A 39 -3.292 20.176 -30.648 1.00 1.31 H new ATOM 554 N SER A 40 -4.871 22.534 -31.188 1.00 73.12 N ATOM 555 CA SER A 40 -5.707 23.660 -30.785 1.00 75.33 C ATOM 556 C SER A 40 -7.106 23.167 -30.443 1.00 20.25 C ATOM 557 O SER A 40 -7.448 22.030 -30.731 1.00 4.44 O ATOM 558 CB SER A 40 -5.788 24.663 -31.938 1.00 75.51 C ATOM 559 OG SER A 40 -6.377 24.059 -33.085 1.00 14.52 O ATOM 0 H SER A 40 -5.269 21.975 -31.943 1.00 73.12 H new ATOM 0 HA SER A 40 -5.272 24.140 -29.908 1.00 75.33 H new ATOM 0 HB2 SER A 40 -6.376 25.529 -31.634 1.00 75.51 H new ATOM 0 HB3 SER A 40 -4.790 25.026 -32.183 1.00 75.51 H new ATOM 0 HG SER A 40 -6.423 24.714 -33.812 1.00 14.52 H new ATOM 565 N SER A 41 -7.934 24.034 -29.879 1.00 1.43 N ATOM 566 CA SER A 41 -9.317 23.681 -29.555 1.00 61.34 C ATOM 567 C SER A 41 -10.116 23.405 -30.826 1.00 14.23 C ATOM 568 O SER A 41 -11.019 22.580 -30.835 1.00 42.00 O ATOM 569 CB SER A 41 -9.952 24.832 -28.783 1.00 51.13 C ATOM 570 OG SER A 41 -9.655 26.064 -29.425 1.00 12.44 O ATOM 0 H SER A 41 -7.676 24.990 -29.634 1.00 1.43 H new ATOM 0 HA SER A 41 -9.322 22.776 -28.947 1.00 61.34 H new ATOM 0 HB2 SER A 41 -11.031 24.692 -28.726 1.00 51.13 H new ATOM 0 HB3 SER A 41 -9.578 24.845 -27.759 1.00 51.13 H new ATOM 0 HG SER A 41 -10.067 26.800 -28.926 1.00 12.44 H new ATOM 576 N ALA A 42 -9.751 24.074 -31.908 1.00 34.42 N ATOM 577 CA ALA A 42 -10.394 23.847 -33.194 1.00 75.34 C ATOM 578 C ALA A 42 -10.036 22.445 -33.704 1.00 2.13 C ATOM 579 O ALA A 42 -10.888 21.704 -34.194 1.00 11.24 O ATOM 580 CB ALA A 42 -9.945 24.921 -34.199 1.00 10.11 C ATOM 0 H ALA A 42 -9.013 24.778 -31.922 1.00 34.42 H new ATOM 0 HA ALA A 42 -11.476 23.914 -33.079 1.00 75.34 H new ATOM 0 HB1 ALA A 42 -10.430 24.746 -35.160 1.00 10.11 H new ATOM 0 HB2 ALA A 42 -10.223 25.907 -33.827 1.00 10.11 H new ATOM 0 HB3 ALA A 42 -8.863 24.873 -34.324 1.00 10.11 H new ATOM 586 N LEU A 43 -8.767 22.088 -33.573 1.00 31.41 N ATOM 587 CA LEU A 43 -8.277 20.783 -34.021 1.00 2.22 C ATOM 588 C LEU A 43 -8.863 19.657 -33.166 1.00 54.14 C ATOM 589 O LEU A 43 -9.122 18.562 -33.655 1.00 32.04 O ATOM 590 CB LEU A 43 -6.757 20.751 -33.937 1.00 11.44 C ATOM 591 CG LEU A 43 -6.086 19.547 -34.610 1.00 12.41 C ATOM 592 CD1 LEU A 43 -6.302 19.552 -36.131 1.00 40.43 C ATOM 593 CD2 LEU A 43 -4.615 19.555 -34.296 1.00 62.25 C ATOM 0 H LEU A 43 -8.051 22.684 -33.158 1.00 31.41 H new ATOM 0 HA LEU A 43 -8.592 20.632 -35.053 1.00 2.22 H new ATOM 0 HB2 LEU A 43 -6.366 21.663 -34.389 1.00 11.44 H new ATOM 0 HB3 LEU A 43 -6.468 20.766 -32.886 1.00 11.44 H new ATOM 0 HG LEU A 43 -6.544 18.639 -34.218 1.00 12.41 H new ATOM 0 HD11 LEU A 43 -5.812 18.684 -36.571 1.00 40.43 H new ATOM 0 HD12 LEU A 43 -7.370 19.514 -36.347 1.00 40.43 H new ATOM 0 HD13 LEU A 43 -5.878 20.462 -36.556 1.00 40.43 H new ATOM 0 HD21 LEU A 43 -4.136 18.700 -34.773 1.00 62.25 H new ATOM 0 HD22 LEU A 43 -4.168 20.476 -34.670 1.00 62.25 H new ATOM 0 HD23 LEU A 43 -4.473 19.494 -33.217 1.00 62.25 H new ATOM 605 N ALA A 44 -9.106 19.941 -31.897 1.00 2.15 N ATOM 606 CA ALA A 44 -9.668 18.955 -30.975 1.00 11.21 C ATOM 607 C ALA A 44 -11.013 18.398 -31.456 1.00 74.25 C ATOM 608 O ALA A 44 -11.328 17.256 -31.233 1.00 71.01 O ATOM 609 CB ALA A 44 -9.826 19.575 -29.591 1.00 34.14 C ATOM 0 H ALA A 44 -8.923 20.851 -31.475 1.00 2.15 H new ATOM 0 HA ALA A 44 -8.972 18.117 -30.932 1.00 11.21 H new ATOM 0 HB1 ALA A 44 -10.245 18.837 -28.907 1.00 34.14 H new ATOM 0 HB2 ALA A 44 -8.852 19.898 -29.224 1.00 34.14 H new ATOM 0 HB3 ALA A 44 -10.494 20.434 -29.651 1.00 34.14 H new ATOM 615 N MET A 45 -11.768 19.203 -32.153 1.00 40.03 N ATOM 616 CA MET A 45 -13.048 18.777 -32.700 1.00 73.35 C ATOM 617 C MET A 45 -12.860 17.629 -33.710 1.00 75.15 C ATOM 618 O MET A 45 -13.725 16.769 -33.881 1.00 24.45 O ATOM 619 CB MET A 45 -13.757 19.942 -33.423 1.00 22.53 C ATOM 620 CG MET A 45 -14.071 21.112 -32.491 1.00 32.34 C ATOM 621 SD MET A 45 -15.209 20.672 -31.169 1.00 63.04 S ATOM 622 CE MET A 45 -15.407 22.252 -30.338 1.00 34.13 C ATOM 0 H MET A 45 -11.524 20.171 -32.363 1.00 40.03 H new ATOM 0 HA MET A 45 -13.656 18.438 -31.861 1.00 73.35 H new ATOM 0 HB2 MET A 45 -13.128 20.293 -34.241 1.00 22.53 H new ATOM 0 HB3 MET A 45 -14.683 19.578 -33.867 1.00 22.53 H new ATOM 0 HG2 MET A 45 -13.143 21.482 -32.056 1.00 32.34 H new ATOM 0 HG3 MET A 45 -14.498 21.929 -33.073 1.00 32.34 H new ATOM 0 HE1 MET A 45 -16.087 22.137 -29.494 1.00 34.13 H new ATOM 0 HE2 MET A 45 -14.438 22.598 -29.978 1.00 34.13 H new ATOM 0 HE3 MET A 45 -15.816 22.982 -31.037 1.00 34.13 H new ATOM 632 N ARG A 46 -11.732 17.630 -34.407 1.00 53.13 N ATOM 633 CA ARG A 46 -11.436 16.605 -35.403 1.00 74.30 C ATOM 634 C ARG A 46 -11.053 15.318 -34.719 1.00 4.25 C ATOM 635 O ARG A 46 -11.389 14.234 -35.174 1.00 21.24 O ATOM 636 CB ARG A 46 -10.314 17.071 -36.346 1.00 23.44 C ATOM 637 CG ARG A 46 -10.532 18.439 -36.974 1.00 12.04 C ATOM 638 CD ARG A 46 -11.910 18.512 -37.691 1.00 24.34 C ATOM 639 NE ARG A 46 -11.971 19.694 -38.553 1.00 44.41 N ATOM 640 CZ ARG A 46 -13.080 20.106 -39.164 1.00 43.44 C ATOM 641 NH1 ARG A 46 -14.231 19.457 -39.079 1.00 14.04 N ATOM 642 NH2 ARG A 46 -13.039 21.197 -39.859 1.00 21.41 N ATOM 0 H ARG A 46 -11.001 18.334 -34.301 1.00 53.13 H new ATOM 0 HA ARG A 46 -12.330 16.432 -36.002 1.00 74.30 H new ATOM 0 HB2 ARG A 46 -9.376 17.088 -35.791 1.00 23.44 H new ATOM 0 HB3 ARG A 46 -10.200 16.336 -37.143 1.00 23.44 H new ATOM 0 HG2 ARG A 46 -10.478 19.209 -36.204 1.00 12.04 H new ATOM 0 HG3 ARG A 46 -9.735 18.646 -37.688 1.00 12.04 H new ATOM 0 HD2 ARG A 46 -12.067 17.612 -38.285 1.00 24.34 H new ATOM 0 HD3 ARG A 46 -12.711 18.550 -36.952 1.00 24.34 H new ATOM 0 HE ARG A 46 -11.116 20.232 -38.693 1.00 44.41 H new ATOM 0 HH11 ARG A 46 -14.295 18.602 -38.527 1.00 14.04 H new ATOM 0 HH12 ARG A 46 -15.054 19.812 -39.566 1.00 14.04 H new ATOM 0 HH21 ARG A 46 -12.168 21.724 -39.931 1.00 21.41 H new ATOM 0 HH22 ARG A 46 -13.877 21.530 -40.335 1.00 21.41 H new ATOM 656 N LEU A 47 -10.356 15.460 -33.580 1.00 1.05 N ATOM 657 CA LEU A 47 -9.962 14.293 -32.765 1.00 43.24 C ATOM 658 C LEU A 47 -11.231 13.601 -32.294 1.00 1.21 C ATOM 659 O LEU A 47 -11.361 12.393 -32.348 1.00 24.11 O ATOM 660 CB LEU A 47 -9.095 14.706 -31.628 1.00 33.11 C ATOM 661 CG LEU A 47 -8.594 13.588 -30.731 1.00 42.24 C ATOM 662 CD1 LEU A 47 -7.630 12.638 -31.470 1.00 55.55 C ATOM 663 CD2 LEU A 47 -7.903 14.127 -29.480 1.00 42.45 C ATOM 0 H LEU A 47 -10.055 16.359 -33.204 1.00 1.05 H new ATOM 0 HA LEU A 47 -9.371 13.596 -33.359 1.00 43.24 H new ATOM 0 HB2 LEU A 47 -8.232 15.237 -32.030 1.00 33.11 H new ATOM 0 HB3 LEU A 47 -9.649 15.416 -31.014 1.00 33.11 H new ATOM 0 HG LEU A 47 -9.480 13.027 -30.434 1.00 42.24 H new ATOM 0 HD11 LEU A 47 -7.298 11.855 -30.789 1.00 55.55 H new ATOM 0 HD12 LEU A 47 -8.143 12.187 -32.319 1.00 55.55 H new ATOM 0 HD13 LEU A 47 -6.766 13.200 -31.825 1.00 55.55 H new ATOM 0 HD21 LEU A 47 -7.560 13.294 -28.866 1.00 42.45 H new ATOM 0 HD22 LEU A 47 -7.049 14.739 -29.771 1.00 42.45 H new ATOM 0 HD23 LEU A 47 -8.606 14.733 -28.909 1.00 42.45 H new ATOM 675 N ILE A 48 -12.164 14.404 -31.781 1.00 11.12 N ATOM 676 CA ILE A 48 -13.434 13.875 -31.264 1.00 22.52 C ATOM 677 C ILE A 48 -14.178 13.161 -32.387 1.00 11.22 C ATOM 678 O ILE A 48 -14.694 12.070 -32.187 1.00 31.24 O ATOM 679 CB ILE A 48 -14.304 15.012 -30.652 1.00 50.15 C ATOM 680 CG1 ILE A 48 -13.597 15.619 -29.413 1.00 45.43 C ATOM 681 CG2 ILE A 48 -15.702 14.482 -30.228 1.00 42.15 C ATOM 682 CD1 ILE A 48 -14.119 16.979 -28.995 1.00 73.42 C ATOM 0 H ILE A 48 -12.069 15.417 -31.711 1.00 11.12 H new ATOM 0 HA ILE A 48 -13.225 13.162 -30.467 1.00 22.52 H new ATOM 0 HB ILE A 48 -14.434 15.778 -31.417 1.00 50.15 H new ATOM 0 HG12 ILE A 48 -13.704 14.930 -28.575 1.00 45.43 H new ATOM 0 HG13 ILE A 48 -12.531 15.702 -29.623 1.00 45.43 H new ATOM 0 HG21 ILE A 48 -16.287 15.298 -29.804 1.00 42.15 H new ATOM 0 HG22 ILE A 48 -16.218 14.080 -31.100 1.00 42.15 H new ATOM 0 HG23 ILE A 48 -15.582 13.696 -29.482 1.00 42.15 H new ATOM 0 HD11 ILE A 48 -13.568 17.327 -28.121 1.00 73.42 H new ATOM 0 HD12 ILE A 48 -13.987 17.687 -29.813 1.00 73.42 H new ATOM 0 HD13 ILE A 48 -15.178 16.902 -28.749 1.00 73.42 H new ATOM 694 N ALA A 49 -14.207 13.762 -33.571 1.00 43.51 N ATOM 695 CA ALA A 49 -14.876 13.153 -34.715 1.00 11.33 C ATOM 696 C ALA A 49 -14.248 11.786 -35.065 1.00 32.22 C ATOM 697 O ALA A 49 -14.962 10.845 -35.326 1.00 2.01 O ATOM 698 CB ALA A 49 -14.808 14.096 -35.928 1.00 63.12 C ATOM 0 H ALA A 49 -13.777 14.667 -33.764 1.00 43.51 H new ATOM 0 HA ALA A 49 -15.920 12.986 -34.450 1.00 11.33 H new ATOM 0 HB1 ALA A 49 -15.310 13.633 -36.777 1.00 63.12 H new ATOM 0 HB2 ALA A 49 -15.300 15.038 -35.685 1.00 63.12 H new ATOM 0 HB3 ALA A 49 -13.765 14.287 -36.183 1.00 63.12 H new ATOM 704 N ARG A 50 -12.920 11.700 -35.047 1.00 11.30 N ATOM 705 CA ARG A 50 -12.237 10.460 -35.352 1.00 12.41 C ATOM 706 C ARG A 50 -12.579 9.374 -34.360 1.00 23.52 C ATOM 707 O ARG A 50 -12.772 8.208 -34.733 1.00 50.42 O ATOM 708 CB ARG A 50 -10.730 10.731 -35.329 1.00 33.44 C ATOM 709 CG ARG A 50 -10.000 10.596 -36.641 1.00 23.24 C ATOM 710 CD ARG A 50 -10.068 9.190 -37.187 1.00 34.43 C ATOM 711 NE ARG A 50 -9.014 8.976 -38.213 1.00 33.25 N ATOM 712 CZ ARG A 50 -9.130 9.229 -39.512 1.00 0.21 C ATOM 713 NH1 ARG A 50 -10.242 9.693 -40.048 1.00 42.34 N ATOM 714 NH2 ARG A 50 -8.121 8.992 -40.294 1.00 74.22 N ATOM 0 H ARG A 50 -12.301 12.479 -34.823 1.00 11.30 H new ATOM 0 HA ARG A 50 -12.555 10.110 -36.334 1.00 12.41 H new ATOM 0 HB2 ARG A 50 -10.571 11.742 -34.953 1.00 33.44 H new ATOM 0 HB3 ARG A 50 -10.272 10.049 -34.613 1.00 33.44 H new ATOM 0 HG2 ARG A 50 -10.429 11.287 -37.367 1.00 23.24 H new ATOM 0 HG3 ARG A 50 -8.957 10.882 -36.506 1.00 23.24 H new ATOM 0 HD2 ARG A 50 -9.944 8.473 -36.376 1.00 34.43 H new ATOM 0 HD3 ARG A 50 -11.050 9.011 -37.624 1.00 34.43 H new ATOM 0 HE ARG A 50 -8.122 8.601 -37.891 1.00 33.25 H new ATOM 0 HH11 ARG A 50 -11.056 9.871 -39.460 1.00 42.34 H new ATOM 0 HH12 ARG A 50 -10.288 9.874 -41.051 1.00 42.34 H new ATOM 0 HH21 ARG A 50 -7.254 8.617 -39.909 1.00 74.22 H new ATOM 0 HH22 ARG A 50 -8.195 9.181 -41.294 1.00 74.22 H new ATOM 728 N ILE A 51 -12.683 9.731 -33.095 1.00 13.15 N ATOM 729 CA ILE A 51 -13.024 8.768 -32.056 1.00 12.11 C ATOM 730 C ILE A 51 -14.429 8.139 -32.268 1.00 0.20 C ATOM 731 O ILE A 51 -14.643 6.981 -31.969 1.00 52.23 O ATOM 732 CB ILE A 51 -12.931 9.451 -30.636 1.00 3.44 C ATOM 733 CG1 ILE A 51 -11.476 9.746 -30.296 1.00 3.52 C ATOM 734 CG2 ILE A 51 -13.554 8.528 -29.542 1.00 15.01 C ATOM 735 CD1 ILE A 51 -11.282 10.703 -29.121 1.00 4.42 C ATOM 0 H ILE A 51 -12.537 10.682 -32.757 1.00 13.15 H new ATOM 0 HA ILE A 51 -12.302 7.954 -32.115 1.00 12.11 H new ATOM 0 HB ILE A 51 -13.491 10.386 -30.664 1.00 3.44 H new ATOM 0 HG12 ILE A 51 -10.971 8.807 -30.071 1.00 3.52 H new ATOM 0 HG13 ILE A 51 -10.989 10.167 -31.175 1.00 3.52 H new ATOM 0 HG21 ILE A 51 -13.481 9.015 -28.570 1.00 15.01 H new ATOM 0 HG22 ILE A 51 -14.602 8.342 -29.777 1.00 15.01 H new ATOM 0 HG23 ILE A 51 -13.015 7.581 -29.515 1.00 15.01 H new ATOM 0 HD11 ILE A 51 -10.217 10.857 -28.949 1.00 4.42 H new ATOM 0 HD12 ILE A 51 -11.754 11.659 -29.348 1.00 4.42 H new ATOM 0 HD13 ILE A 51 -11.736 10.277 -28.226 1.00 4.42 H new ATOM 747 N ARG A 52 -15.340 8.890 -32.882 1.00 23.13 N ATOM 748 CA ARG A 52 -16.688 8.352 -33.177 1.00 31.23 C ATOM 749 C ARG A 52 -16.663 7.231 -34.186 1.00 21.43 C ATOM 750 O ARG A 52 -17.417 6.337 -34.111 1.00 44.32 O ATOM 751 CB ARG A 52 -17.548 9.385 -33.707 1.00 72.31 C ATOM 752 CG ARG A 52 -17.742 10.572 -32.814 1.00 5.41 C ATOM 753 CD ARG A 52 -18.521 11.664 -33.616 1.00 73.23 C ATOM 754 NE ARG A 52 -19.896 11.458 -33.362 1.00 74.54 N ATOM 755 CZ ARG A 52 -20.837 12.163 -33.989 1.00 71.53 C ATOM 756 NH1 ARG A 52 -20.547 13.119 -34.909 1.00 63.35 N ATOM 757 NH2 ARG A 52 -22.105 11.952 -33.720 1.00 23.40 N ATOM 0 H ARG A 52 -15.187 9.852 -33.184 1.00 23.13 H new ATOM 0 HA ARG A 52 -17.064 7.972 -32.227 1.00 31.23 H new ATOM 0 HB2 ARG A 52 -17.136 9.728 -34.656 1.00 72.31 H new ATOM 0 HB3 ARG A 52 -18.523 8.949 -33.922 1.00 72.31 H new ATOM 0 HG2 ARG A 52 -18.297 10.288 -31.920 1.00 5.41 H new ATOM 0 HG3 ARG A 52 -16.779 10.959 -32.482 1.00 5.41 H new ATOM 0 HD2 ARG A 52 -18.216 12.663 -33.304 1.00 73.23 H new ATOM 0 HD3 ARG A 52 -18.309 11.585 -34.682 1.00 73.23 H new ATOM 0 HE ARG A 52 -20.175 10.752 -32.681 1.00 74.54 H new ATOM 0 HH11 ARG A 52 -19.576 13.322 -35.145 1.00 63.35 H new ATOM 0 HH12 ARG A 52 -21.301 13.634 -35.364 1.00 63.35 H new ATOM 0 HH21 ARG A 52 -22.370 11.248 -33.031 1.00 23.40 H new ATOM 0 HH22 ARG A 52 -22.825 12.492 -34.200 1.00 23.40 H new ATOM 771 N GLU A 53 -15.702 7.288 -35.110 1.00 43.24 N ATOM 772 CA GLU A 53 -15.631 6.304 -36.185 1.00 22.11 C ATOM 773 C GLU A 53 -15.027 5.082 -35.591 1.00 1.11 C ATOM 774 O GLU A 53 -15.403 3.966 -35.908 1.00 4.03 O ATOM 775 CB GLU A 53 -14.739 6.838 -37.262 1.00 75.23 C ATOM 776 CG GLU A 53 -15.092 8.270 -37.766 1.00 43.14 C ATOM 777 CD GLU A 53 -16.480 8.280 -38.402 1.00 40.44 C ATOM 778 OE1 GLU A 53 -16.721 7.566 -39.392 1.00 54.32 O ATOM 779 OE2 GLU A 53 -17.276 9.165 -37.996 1.00 12.40 O ATOM 0 H GLU A 53 -14.970 7.998 -35.134 1.00 43.24 H new ATOM 0 HA GLU A 53 -16.610 6.089 -36.613 1.00 22.11 H new ATOM 0 HB2 GLU A 53 -13.713 6.842 -36.893 1.00 75.23 H new ATOM 0 HB3 GLU A 53 -14.770 6.154 -38.110 1.00 75.23 H new ATOM 0 HG2 GLU A 53 -15.060 8.974 -36.934 1.00 43.14 H new ATOM 0 HG3 GLU A 53 -14.349 8.601 -38.492 1.00 43.14 H new ATOM 786 N GLU A 54 -14.014 5.280 -34.695 1.00 43.01 N ATOM 787 CA GLU A 54 -13.228 4.157 -34.207 1.00 22.31 C ATOM 788 C GLU A 54 -13.941 3.406 -33.037 1.00 42.04 C ATOM 789 O GLU A 54 -13.898 2.206 -32.936 1.00 70.24 O ATOM 790 CB GLU A 54 -11.938 4.690 -33.650 1.00 31.44 C ATOM 791 CG GLU A 54 -10.915 5.101 -34.723 1.00 32.23 C ATOM 792 CD GLU A 54 -10.469 3.915 -35.570 1.00 5.53 C ATOM 793 OE1 GLU A 54 -9.971 2.930 -34.992 1.00 30.34 O ATOM 794 OE2 GLU A 54 -10.552 4.010 -36.813 1.00 54.04 O ATOM 0 H GLU A 54 -13.745 6.189 -34.318 1.00 43.01 H new ATOM 0 HA GLU A 54 -13.081 3.470 -35.041 1.00 22.31 H new ATOM 0 HB2 GLU A 54 -12.155 5.553 -33.020 1.00 31.44 H new ATOM 0 HB3 GLU A 54 -11.491 3.931 -33.008 1.00 31.44 H new ATOM 0 HG2 GLU A 54 -11.352 5.863 -35.368 1.00 32.23 H new ATOM 0 HG3 GLU A 54 -10.046 5.551 -34.242 1.00 32.23 H new ATOM 801 N LEU A 55 -14.515 4.185 -32.084 1.00 41.30 N ATOM 802 CA LEU A 55 -15.008 3.619 -30.847 1.00 5.35 C ATOM 803 C LEU A 55 -16.540 3.729 -30.781 1.00 73.31 C ATOM 804 O LEU A 55 -17.172 3.248 -29.839 1.00 13.30 O ATOM 805 CB LEU A 55 -14.430 4.275 -29.637 1.00 35.24 C ATOM 806 CG LEU A 55 -12.870 4.263 -29.565 1.00 2.23 C ATOM 807 CD1 LEU A 55 -12.423 4.934 -28.257 1.00 33.02 C ATOM 808 CD2 LEU A 55 -12.300 2.847 -29.633 1.00 52.53 C ATOM 0 H LEU A 55 -14.637 5.194 -32.167 1.00 41.30 H new ATOM 0 HA LEU A 55 -14.697 2.574 -30.845 1.00 5.35 H new ATOM 0 HB2 LEU A 55 -14.773 5.309 -29.603 1.00 35.24 H new ATOM 0 HB3 LEU A 55 -14.824 3.780 -28.750 1.00 35.24 H new ATOM 0 HG LEU A 55 -12.490 4.810 -30.428 1.00 2.23 H new ATOM 0 HD11 LEU A 55 -11.335 4.930 -28.199 1.00 33.02 H new ATOM 0 HD12 LEU A 55 -12.783 5.962 -28.234 1.00 33.02 H new ATOM 0 HD13 LEU A 55 -12.834 4.387 -27.408 1.00 33.02 H new ATOM 0 HD21 LEU A 55 -11.212 2.890 -29.579 1.00 52.53 H new ATOM 0 HD22 LEU A 55 -12.682 2.261 -28.797 1.00 52.53 H new ATOM 0 HD23 LEU A 55 -12.599 2.379 -30.571 1.00 52.53 H new ATOM 820 N GLY A 56 -17.121 4.390 -31.785 1.00 0.45 N ATOM 821 CA GLY A 56 -18.589 4.521 -31.843 1.00 4.42 C ATOM 822 C GLY A 56 -19.168 5.500 -30.848 1.00 22.30 C ATOM 823 O GLY A 56 -20.376 5.471 -30.609 1.00 14.21 O ATOM 0 H GLY A 56 -16.618 4.834 -32.553 1.00 0.45 H new ATOM 0 HA2 GLY A 56 -18.874 4.832 -32.848 1.00 4.42 H new ATOM 0 HA3 GLY A 56 -19.036 3.542 -31.673 1.00 4.42 H new ATOM 827 N VAL A 57 -18.337 6.380 -30.300 1.00 24.12 N ATOM 828 CA VAL A 57 -18.802 7.325 -29.280 1.00 33.04 C ATOM 829 C VAL A 57 -18.191 8.708 -29.442 1.00 61.11 C ATOM 830 O VAL A 57 -17.041 8.864 -29.874 1.00 52.23 O ATOM 831 CB VAL A 57 -18.481 6.814 -27.820 1.00 31.51 C ATOM 832 CG1 VAL A 57 -19.286 5.541 -27.505 1.00 32.41 C ATOM 833 CG2 VAL A 57 -16.983 6.533 -27.631 1.00 24.32 C ATOM 0 H VAL A 57 -17.349 6.462 -30.538 1.00 24.12 H new ATOM 0 HA VAL A 57 -19.880 7.393 -29.423 1.00 33.04 H new ATOM 0 HB VAL A 57 -18.769 7.608 -27.131 1.00 31.51 H new ATOM 0 HG11 VAL A 57 -19.052 5.203 -26.495 1.00 32.41 H new ATOM 0 HG12 VAL A 57 -20.352 5.757 -27.578 1.00 32.41 H new ATOM 0 HG13 VAL A 57 -19.025 4.760 -28.219 1.00 32.41 H new ATOM 0 HG21 VAL A 57 -16.804 6.184 -26.614 1.00 24.32 H new ATOM 0 HG22 VAL A 57 -16.664 5.768 -28.339 1.00 24.32 H new ATOM 0 HG23 VAL A 57 -16.416 7.448 -27.806 1.00 24.32 H new ATOM 843 N ASP A 58 -18.951 9.721 -29.067 1.00 44.32 N ATOM 844 CA ASP A 58 -18.439 11.101 -29.033 1.00 42.25 C ATOM 845 C ASP A 58 -17.583 11.244 -27.786 1.00 44.45 C ATOM 846 O ASP A 58 -18.077 11.118 -26.660 1.00 40.11 O ATOM 847 CB ASP A 58 -19.591 12.113 -28.956 1.00 1.15 C ATOM 848 CG ASP A 58 -20.158 12.450 -30.318 1.00 1.05 C ATOM 849 OD1 ASP A 58 -19.640 13.387 -30.958 1.00 75.33 O ATOM 850 OD2 ASP A 58 -21.107 11.762 -30.764 1.00 33.21 O ATOM 0 H ASP A 58 -19.925 9.626 -28.780 1.00 44.32 H new ATOM 0 HA ASP A 58 -17.867 11.298 -29.940 1.00 42.25 H new ATOM 0 HB2 ASP A 58 -20.383 11.709 -28.326 1.00 1.15 H new ATOM 0 HB3 ASP A 58 -19.237 13.026 -28.477 1.00 1.15 H new ATOM 855 N LEU A 59 -16.302 11.528 -27.971 1.00 2.12 N ATOM 856 CA LEU A 59 -15.412 11.752 -26.839 1.00 24.22 C ATOM 857 C LEU A 59 -15.924 12.976 -26.060 1.00 5.00 C ATOM 858 O LEU A 59 -16.098 14.062 -26.630 1.00 44.02 O ATOM 859 CB LEU A 59 -13.980 12.010 -27.289 1.00 13.43 C ATOM 860 CG LEU A 59 -12.990 12.271 -26.126 1.00 21.21 C ATOM 861 CD1 LEU A 59 -12.549 10.984 -25.444 1.00 31.22 C ATOM 862 CD2 LEU A 59 -11.762 13.087 -26.539 1.00 61.20 C ATOM 0 H LEU A 59 -15.858 11.609 -28.886 1.00 2.12 H new ATOM 0 HA LEU A 59 -15.408 10.858 -26.215 1.00 24.22 H new ATOM 0 HB2 LEU A 59 -13.631 11.152 -27.864 1.00 13.43 H new ATOM 0 HB3 LEU A 59 -13.970 12.869 -27.960 1.00 13.43 H new ATOM 0 HG LEU A 59 -13.555 12.871 -25.412 1.00 21.21 H new ATOM 0 HD11 LEU A 59 -11.856 11.219 -24.636 1.00 31.22 H new ATOM 0 HD12 LEU A 59 -13.420 10.471 -25.037 1.00 31.22 H new ATOM 0 HD13 LEU A 59 -12.054 10.339 -26.170 1.00 31.22 H new ATOM 0 HD21 LEU A 59 -11.113 13.231 -25.675 1.00 61.20 H new ATOM 0 HD22 LEU A 59 -11.216 12.554 -27.318 1.00 61.20 H new ATOM 0 HD23 LEU A 59 -12.081 14.058 -26.919 1.00 61.20 H new ATOM 874 N PRO A 60 -16.136 12.835 -24.735 1.00 73.31 N ATOM 875 CA PRO A 60 -16.537 14.028 -23.988 1.00 61.44 C ATOM 876 C PRO A 60 -15.438 15.092 -24.012 1.00 4.23 C ATOM 877 O PRO A 60 -14.335 14.872 -23.498 1.00 22.12 O ATOM 878 CB PRO A 60 -16.743 13.497 -22.560 1.00 71.23 C ATOM 879 CG PRO A 60 -16.898 12.023 -22.709 1.00 64.34 C ATOM 880 CD PRO A 60 -16.018 11.660 -23.856 1.00 4.52 C ATOM 0 HA PRO A 60 -17.423 14.508 -24.404 1.00 61.44 H new ATOM 0 HB2 PRO A 60 -15.893 13.741 -21.923 1.00 71.23 H new ATOM 0 HB3 PRO A 60 -17.625 13.941 -22.098 1.00 71.23 H new ATOM 0 HG2 PRO A 60 -16.599 11.500 -21.800 1.00 64.34 H new ATOM 0 HG3 PRO A 60 -17.935 11.752 -22.906 1.00 64.34 H new ATOM 0 HD2 PRO A 60 -14.988 11.492 -23.540 1.00 4.52 H new ATOM 0 HD3 PRO A 60 -16.352 10.748 -24.351 1.00 4.52 H new ATOM 888 N ILE A 61 -15.731 16.262 -24.564 1.00 12.43 N ATOM 889 CA ILE A 61 -14.738 17.339 -24.647 1.00 43.22 C ATOM 890 C ILE A 61 -14.306 17.789 -23.242 1.00 35.55 C ATOM 891 O ILE A 61 -13.186 18.241 -23.037 1.00 34.01 O ATOM 892 CB ILE A 61 -15.271 18.527 -25.513 1.00 22.21 C ATOM 893 CG1 ILE A 61 -14.103 19.418 -25.966 1.00 72.42 C ATOM 894 CG2 ILE A 61 -16.360 19.342 -24.768 1.00 40.13 C ATOM 895 CD1 ILE A 61 -14.460 20.384 -27.105 1.00 63.55 C ATOM 0 H ILE A 61 -16.642 16.494 -24.961 1.00 12.43 H new ATOM 0 HA ILE A 61 -13.850 16.955 -25.149 1.00 43.22 H new ATOM 0 HB ILE A 61 -15.749 18.112 -26.400 1.00 22.21 H new ATOM 0 HG12 ILE A 61 -13.747 19.995 -25.112 1.00 72.42 H new ATOM 0 HG13 ILE A 61 -13.278 18.782 -26.288 1.00 72.42 H new ATOM 0 HG21 ILE A 61 -16.703 20.158 -25.404 1.00 40.13 H new ATOM 0 HG22 ILE A 61 -17.201 18.691 -24.527 1.00 40.13 H new ATOM 0 HG23 ILE A 61 -15.943 19.751 -23.848 1.00 40.13 H new ATOM 0 HD11 ILE A 61 -13.584 20.977 -27.367 1.00 63.55 H new ATOM 0 HD12 ILE A 61 -14.787 19.815 -27.975 1.00 63.55 H new ATOM 0 HD13 ILE A 61 -15.263 21.046 -26.782 1.00 63.55 H new ATOM 907 N ARG A 62 -15.175 17.583 -22.258 1.00 11.23 N ATOM 908 CA ARG A 62 -14.843 17.877 -20.863 1.00 1.24 C ATOM 909 C ARG A 62 -13.664 17.029 -20.404 1.00 35.10 C ATOM 910 O ARG A 62 -12.779 17.535 -19.728 1.00 75.35 O ATOM 911 CB ARG A 62 -16.060 17.612 -19.968 1.00 73.25 C ATOM 912 CG ARG A 62 -15.843 17.891 -18.466 1.00 61.41 C ATOM 913 CD ARG A 62 -15.805 19.381 -18.157 1.00 63.43 C ATOM 914 NE ARG A 62 -15.588 19.627 -16.721 1.00 53.23 N ATOM 915 CZ ARG A 62 -15.701 20.811 -16.120 1.00 61.33 C ATOM 916 NH1 ARG A 62 -16.049 21.895 -16.769 1.00 11.03 N ATOM 917 NH2 ARG A 62 -15.471 20.904 -14.841 1.00 72.11 N ATOM 0 H ARG A 62 -16.115 17.214 -22.398 1.00 11.23 H new ATOM 0 HA ARG A 62 -14.565 18.928 -20.786 1.00 1.24 H new ATOM 0 HB2 ARG A 62 -16.890 18.225 -20.319 1.00 73.25 H new ATOM 0 HB3 ARG A 62 -16.360 16.571 -20.088 1.00 73.25 H new ATOM 0 HG2 ARG A 62 -16.643 17.423 -17.892 1.00 61.41 H new ATOM 0 HG3 ARG A 62 -14.909 17.431 -18.144 1.00 61.41 H new ATOM 0 HD2 ARG A 62 -15.009 19.853 -18.733 1.00 63.43 H new ATOM 0 HD3 ARG A 62 -16.742 19.843 -18.469 1.00 63.43 H new ATOM 0 HE ARG A 62 -15.331 18.828 -16.141 1.00 53.23 H new ATOM 0 HH11 ARG A 62 -16.244 21.850 -17.769 1.00 11.03 H new ATOM 0 HH12 ARG A 62 -16.125 22.784 -16.274 1.00 11.03 H new ATOM 0 HH21 ARG A 62 -15.207 20.075 -14.309 1.00 72.11 H new ATOM 0 HH22 ARG A 62 -15.555 21.806 -14.372 1.00 72.11 H new ATOM 931 N GLN A 63 -13.627 15.759 -20.779 1.00 13.24 N ATOM 932 CA GLN A 63 -12.536 14.876 -20.386 1.00 20.02 C ATOM 933 C GLN A 63 -11.259 15.277 -21.083 1.00 71.23 C ATOM 934 O GLN A 63 -10.204 15.268 -20.481 1.00 1.33 O ATOM 935 CB GLN A 63 -12.890 13.433 -20.721 1.00 72.15 C ATOM 936 CG GLN A 63 -13.504 12.643 -19.544 1.00 50.43 C ATOM 937 CD GLN A 63 -14.663 13.371 -18.888 1.00 31.45 C ATOM 938 OE1 GLN A 63 -14.493 14.171 -17.975 1.00 42.35 O ATOM 939 NE2 GLN A 63 -15.861 13.088 -19.332 1.00 11.14 N ATOM 0 H GLN A 63 -14.341 15.315 -21.356 1.00 13.24 H new ATOM 0 HA GLN A 63 -12.384 14.962 -19.310 1.00 20.02 H new ATOM 0 HB2 GLN A 63 -13.593 13.427 -21.554 1.00 72.15 H new ATOM 0 HB3 GLN A 63 -11.990 12.919 -21.059 1.00 72.15 H new ATOM 0 HG2 GLN A 63 -13.847 11.673 -19.903 1.00 50.43 H new ATOM 0 HG3 GLN A 63 -12.732 12.452 -18.798 1.00 50.43 H new ATOM 0 HE21 GLN A 63 -15.978 12.419 -20.093 1.00 11.14 H new ATOM 0 HE22 GLN A 63 -16.678 13.537 -18.917 1.00 11.14 H new ATOM 948 N LEU A 64 -11.373 15.681 -22.338 1.00 0.10 N ATOM 949 CA LEU A 64 -10.201 16.098 -23.105 1.00 1.43 C ATOM 950 C LEU A 64 -9.583 17.359 -22.501 1.00 71.24 C ATOM 951 O LEU A 64 -8.376 17.445 -22.339 1.00 52.00 O ATOM 952 CB LEU A 64 -10.610 16.359 -24.556 1.00 35.44 C ATOM 953 CG LEU A 64 -9.466 16.580 -25.556 1.00 74.03 C ATOM 954 CD1 LEU A 64 -8.566 15.353 -25.703 1.00 11.41 C ATOM 955 CD2 LEU A 64 -10.067 16.908 -26.908 1.00 62.30 C ATOM 0 H LEU A 64 -12.255 15.730 -22.847 1.00 0.10 H new ATOM 0 HA LEU A 64 -9.456 15.303 -23.073 1.00 1.43 H new ATOM 0 HB2 LEU A 64 -11.207 15.515 -24.900 1.00 35.44 H new ATOM 0 HB3 LEU A 64 -11.257 17.236 -24.577 1.00 35.44 H new ATOM 0 HG LEU A 64 -8.848 17.395 -25.180 1.00 74.03 H new ATOM 0 HD11 LEU A 64 -7.775 15.566 -26.422 1.00 11.41 H new ATOM 0 HD12 LEU A 64 -8.123 15.109 -24.738 1.00 11.41 H new ATOM 0 HD13 LEU A 64 -9.158 14.508 -26.054 1.00 11.41 H new ATOM 0 HD21 LEU A 64 -9.268 17.068 -27.632 1.00 62.30 H new ATOM 0 HD22 LEU A 64 -10.695 16.080 -27.238 1.00 62.30 H new ATOM 0 HD23 LEU A 64 -10.671 17.812 -26.828 1.00 62.30 H new ATOM 967 N PHE A 65 -10.412 18.324 -22.138 1.00 60.44 N ATOM 968 CA PHE A 65 -9.912 19.561 -21.531 1.00 71.41 C ATOM 969 C PHE A 65 -9.367 19.333 -20.117 1.00 14.42 C ATOM 970 O PHE A 65 -8.451 20.020 -19.689 1.00 54.43 O ATOM 971 CB PHE A 65 -11.025 20.614 -21.466 1.00 43.41 C ATOM 972 CG PHE A 65 -11.420 21.206 -22.814 1.00 62.54 C ATOM 973 CD1 PHE A 65 -10.687 20.945 -24.001 1.00 52.33 C ATOM 974 CD2 PHE A 65 -12.538 22.060 -22.893 1.00 13.24 C ATOM 975 CE1 PHE A 65 -11.072 21.532 -25.229 1.00 70.14 C ATOM 976 CE2 PHE A 65 -12.921 22.655 -24.125 1.00 72.24 C ATOM 977 CZ PHE A 65 -12.183 22.390 -25.287 1.00 42.51 C ATOM 0 H PHE A 65 -11.425 18.283 -22.249 1.00 60.44 H new ATOM 0 HA PHE A 65 -9.096 19.912 -22.163 1.00 71.41 H new ATOM 0 HB2 PHE A 65 -11.907 20.164 -21.010 1.00 43.41 H new ATOM 0 HB3 PHE A 65 -10.704 21.423 -20.809 1.00 43.41 H new ATOM 0 HD1 PHE A 65 -9.827 20.292 -23.966 1.00 52.33 H new ATOM 0 HD2 PHE A 65 -13.113 22.266 -22.002 1.00 13.24 H new ATOM 0 HE1 PHE A 65 -10.509 21.320 -26.126 1.00 70.14 H new ATOM 0 HE2 PHE A 65 -13.779 23.310 -24.166 1.00 72.24 H new ATOM 0 HZ PHE A 65 -12.468 22.844 -26.225 1.00 42.51 H new ATOM 987 N SER A 66 -9.930 18.376 -19.395 1.00 31.52 N ATOM 988 CA SER A 66 -9.478 18.068 -18.032 1.00 22.13 C ATOM 989 C SER A 66 -8.168 17.284 -18.039 1.00 12.51 C ATOM 990 O SER A 66 -7.442 17.257 -17.055 1.00 22.44 O ATOM 991 CB SER A 66 -10.535 17.249 -17.291 1.00 2.42 C ATOM 992 OG SER A 66 -11.776 17.939 -17.251 1.00 14.43 O ATOM 0 H SER A 66 -10.701 17.795 -19.724 1.00 31.52 H new ATOM 0 HA SER A 66 -9.318 19.019 -17.524 1.00 22.13 H new ATOM 0 HB2 SER A 66 -10.666 16.286 -17.784 1.00 2.42 H new ATOM 0 HB3 SER A 66 -10.196 17.044 -16.276 1.00 2.42 H new ATOM 0 HG SER A 66 -12.174 17.949 -18.147 1.00 14.43 H new ATOM 998 N SER A 67 -7.889 16.609 -19.143 1.00 14.45 N ATOM 999 CA SER A 67 -6.679 15.791 -19.277 1.00 20.21 C ATOM 1000 C SER A 67 -6.228 15.747 -20.738 1.00 5.14 C ATOM 1001 O SER A 67 -6.596 14.841 -21.472 1.00 74.34 O ATOM 1002 CB SER A 67 -6.970 14.371 -18.786 1.00 15.51 C ATOM 1003 OG SER A 67 -7.335 14.388 -17.417 1.00 22.35 O ATOM 0 H SER A 67 -8.486 16.608 -19.970 1.00 14.45 H new ATOM 0 HA SER A 67 -5.883 16.232 -18.677 1.00 20.21 H new ATOM 0 HB2 SER A 67 -7.773 13.932 -19.378 1.00 15.51 H new ATOM 0 HB3 SER A 67 -6.090 13.743 -18.927 1.00 15.51 H new ATOM 0 HG SER A 67 -7.520 13.474 -17.116 1.00 22.35 H new ATOM 1009 N PRO A 68 -5.431 16.738 -21.177 1.00 14.54 N ATOM 1010 CA PRO A 68 -5.023 16.818 -22.591 1.00 13.10 C ATOM 1011 C PRO A 68 -3.888 15.871 -23.021 1.00 1.32 C ATOM 1012 O PRO A 68 -3.213 16.145 -23.999 1.00 1.51 O ATOM 1013 CB PRO A 68 -4.595 18.283 -22.723 1.00 0.30 C ATOM 1014 CG PRO A 68 -4.011 18.587 -21.404 1.00 4.40 C ATOM 1015 CD PRO A 68 -4.918 17.894 -20.411 1.00 75.23 C ATOM 0 HA PRO A 68 -5.837 16.503 -23.244 1.00 13.10 H new ATOM 0 HB2 PRO A 68 -3.869 18.419 -23.525 1.00 0.30 H new ATOM 0 HB3 PRO A 68 -5.443 18.931 -22.946 1.00 0.30 H new ATOM 0 HG2 PRO A 68 -2.988 18.218 -21.330 1.00 4.40 H new ATOM 0 HG3 PRO A 68 -3.976 19.662 -21.225 1.00 4.40 H new ATOM 0 HD2 PRO A 68 -4.375 17.578 -19.520 1.00 75.23 H new ATOM 0 HD3 PRO A 68 -5.725 18.547 -20.078 1.00 75.23 H new ATOM 1023 N THR A 69 -3.699 14.761 -22.312 1.00 63.32 N ATOM 1024 CA THR A 69 -2.714 13.747 -22.700 1.00 1.54 C ATOM 1025 C THR A 69 -3.487 12.480 -23.030 1.00 14.22 C ATOM 1026 O THR A 69 -4.594 12.287 -22.513 1.00 33.44 O ATOM 1027 CB THR A 69 -1.729 13.428 -21.557 1.00 44.13 C ATOM 1028 OG1 THR A 69 -2.453 13.136 -20.358 1.00 42.44 O ATOM 1029 CG2 THR A 69 -0.829 14.583 -21.282 1.00 23.31 C ATOM 0 H THR A 69 -4.216 14.538 -21.462 1.00 63.32 H new ATOM 0 HA THR A 69 -2.134 14.120 -23.544 1.00 1.54 H new ATOM 0 HB THR A 69 -1.133 12.570 -21.867 1.00 44.13 H new ATOM 0 HG1 THR A 69 -1.822 12.933 -19.636 1.00 42.44 H new ATOM 0 HG21 THR A 69 -0.146 14.327 -20.472 1.00 23.31 H new ATOM 0 HG22 THR A 69 -0.256 14.819 -22.178 1.00 23.31 H new ATOM 0 HG23 THR A 69 -1.426 15.449 -20.994 1.00 23.31 H new ATOM 1037 N PRO A 70 -2.932 11.593 -23.866 1.00 75.03 N ATOM 1038 CA PRO A 70 -3.710 10.410 -24.227 1.00 25.10 C ATOM 1039 C PRO A 70 -3.966 9.435 -23.065 1.00 34.22 C ATOM 1040 O PRO A 70 -5.071 8.901 -22.947 1.00 53.21 O ATOM 1041 CB PRO A 70 -2.849 9.787 -25.339 1.00 41.15 C ATOM 1042 CG PRO A 70 -1.527 10.181 -25.052 1.00 32.22 C ATOM 1043 CD PRO A 70 -1.643 11.590 -24.584 1.00 5.44 C ATOM 0 HA PRO A 70 -4.725 10.661 -24.534 1.00 25.10 H new ATOM 0 HB2 PRO A 70 -2.943 8.701 -25.347 1.00 41.15 H new ATOM 0 HB3 PRO A 70 -3.160 10.141 -26.322 1.00 41.15 H new ATOM 0 HG2 PRO A 70 -1.082 9.545 -24.286 1.00 32.22 H new ATOM 0 HG3 PRO A 70 -0.892 10.108 -25.935 1.00 32.22 H new ATOM 0 HD2 PRO A 70 -0.816 11.868 -23.931 1.00 5.44 H new ATOM 0 HD3 PRO A 70 -1.642 12.294 -25.416 1.00 5.44 H new ATOM 1051 N ALA A 71 -3.006 9.256 -22.155 1.00 61.13 N ATOM 1052 CA ALA A 71 -3.237 8.383 -21.006 1.00 11.35 C ATOM 1053 C ALA A 71 -4.174 9.069 -20.016 1.00 13.32 C ATOM 1054 O ALA A 71 -4.942 8.423 -19.294 1.00 25.24 O ATOM 1055 CB ALA A 71 -1.915 8.073 -20.329 1.00 34.35 C ATOM 0 H ALA A 71 -2.085 9.692 -22.189 1.00 61.13 H new ATOM 0 HA ALA A 71 -3.695 7.454 -21.346 1.00 11.35 H new ATOM 0 HB1 ALA A 71 -2.089 7.422 -19.472 1.00 34.35 H new ATOM 0 HB2 ALA A 71 -1.253 7.573 -21.036 1.00 34.35 H new ATOM 0 HB3 ALA A 71 -1.453 9.001 -19.992 1.00 34.35 H new ATOM 1061 N GLY A 72 -4.096 10.387 -19.961 1.00 64.33 N ATOM 1062 CA GLY A 72 -4.895 11.148 -19.033 1.00 72.31 C ATOM 1063 C GLY A 72 -6.356 11.077 -19.418 1.00 54.21 C ATOM 1064 O GLY A 72 -7.219 10.762 -18.596 1.00 53.15 O ATOM 0 H GLY A 72 -3.484 10.949 -20.553 1.00 64.33 H new ATOM 0 HA2 GLY A 72 -4.759 10.761 -18.023 1.00 72.31 H new ATOM 0 HA3 GLY A 72 -4.564 12.187 -19.024 1.00 72.31 H new ATOM 1068 N VAL A 73 -6.650 11.344 -20.678 1.00 1.15 N ATOM 1069 CA VAL A 73 -8.005 11.347 -21.128 1.00 24.43 C ATOM 1070 C VAL A 73 -8.601 9.932 -21.058 1.00 2.03 C ATOM 1071 O VAL A 73 -9.765 9.784 -20.694 1.00 32.54 O ATOM 1072 CB VAL A 73 -8.113 11.947 -22.585 1.00 24.41 C ATOM 1073 CG1 VAL A 73 -7.586 11.023 -23.674 1.00 60.53 C ATOM 1074 CG2 VAL A 73 -9.561 12.356 -22.907 1.00 71.13 C ATOM 0 H VAL A 73 -5.960 11.560 -21.397 1.00 1.15 H new ATOM 0 HA VAL A 73 -8.587 11.988 -20.465 1.00 24.43 H new ATOM 0 HB VAL A 73 -7.470 12.827 -22.582 1.00 24.41 H new ATOM 0 HG11 VAL A 73 -7.695 11.506 -24.645 1.00 60.53 H new ATOM 0 HG12 VAL A 73 -6.533 10.809 -23.491 1.00 60.53 H new ATOM 0 HG13 VAL A 73 -8.152 10.092 -23.667 1.00 60.53 H new ATOM 0 HG21 VAL A 73 -9.607 12.766 -23.916 1.00 71.13 H new ATOM 0 HG22 VAL A 73 -10.209 11.482 -22.840 1.00 71.13 H new ATOM 0 HG23 VAL A 73 -9.893 13.110 -22.193 1.00 71.13 H new ATOM 1084 N ALA A 74 -7.764 8.912 -21.272 1.00 73.13 N ATOM 1085 CA ALA A 74 -8.249 7.530 -21.200 1.00 50.21 C ATOM 1086 C ALA A 74 -8.770 7.176 -19.813 1.00 1.00 C ATOM 1087 O ALA A 74 -9.868 6.644 -19.674 1.00 44.33 O ATOM 1088 CB ALA A 74 -7.141 6.572 -21.634 1.00 24.40 C ATOM 0 H ALA A 74 -6.773 9.011 -21.491 1.00 73.13 H new ATOM 0 HA ALA A 74 -9.093 7.432 -21.883 1.00 50.21 H new ATOM 0 HB1 ALA A 74 -7.505 5.546 -21.579 1.00 24.40 H new ATOM 0 HB2 ALA A 74 -6.845 6.798 -22.659 1.00 24.40 H new ATOM 0 HB3 ALA A 74 -6.281 6.688 -20.974 1.00 24.40 H new ATOM 1094 N ARG A 75 -8.008 7.472 -18.785 1.00 60.40 N ATOM 1095 CA ARG A 75 -8.464 7.131 -17.416 1.00 52.54 C ATOM 1096 C ARG A 75 -9.654 8.026 -17.028 1.00 35.23 C ATOM 1097 O ARG A 75 -10.549 7.597 -16.282 1.00 32.34 O ATOM 1098 CB ARG A 75 -7.348 7.240 -16.369 1.00 22.44 C ATOM 1099 CG ARG A 75 -6.839 8.628 -16.045 1.00 30.41 C ATOM 1100 CD ARG A 75 -5.915 8.605 -14.849 1.00 2.33 C ATOM 1101 NE ARG A 75 -5.444 9.958 -14.521 1.00 60.54 N ATOM 1102 CZ ARG A 75 -4.212 10.423 -14.736 1.00 71.03 C ATOM 1103 NH1 ARG A 75 -3.270 9.685 -15.251 1.00 13.21 N ATOM 1104 NH2 ARG A 75 -3.942 11.662 -14.430 1.00 51.21 N ATOM 0 H ARG A 75 -7.099 7.931 -18.842 1.00 60.40 H new ATOM 0 HA ARG A 75 -8.774 6.086 -17.429 1.00 52.54 H new ATOM 0 HB2 ARG A 75 -7.706 6.787 -15.445 1.00 22.44 H new ATOM 0 HB3 ARG A 75 -6.504 6.642 -16.711 1.00 22.44 H new ATOM 0 HG2 ARG A 75 -6.312 9.036 -16.908 1.00 30.41 H new ATOM 0 HG3 ARG A 75 -7.682 9.290 -15.844 1.00 30.41 H new ATOM 0 HD2 ARG A 75 -6.435 8.179 -13.991 1.00 2.33 H new ATOM 0 HD3 ARG A 75 -5.062 7.959 -15.057 1.00 2.33 H new ATOM 0 HE ARG A 75 -6.116 10.595 -14.093 1.00 60.54 H new ATOM 0 HH11 ARG A 75 -3.463 8.716 -15.505 1.00 13.21 H new ATOM 0 HH12 ARG A 75 -2.340 10.076 -15.400 1.00 13.21 H new ATOM 0 HH21 ARG A 75 -4.668 12.259 -14.033 1.00 51.21 H new ATOM 0 HH22 ARG A 75 -3.005 12.034 -14.588 1.00 51.21 H new ATOM 1118 N ALA A 76 -9.664 9.258 -17.532 1.00 30.45 N ATOM 1119 CA ALA A 76 -10.709 10.191 -17.177 1.00 74.12 C ATOM 1120 C ALA A 76 -12.054 9.766 -17.770 1.00 51.21 C ATOM 1121 O ALA A 76 -13.099 9.876 -17.123 1.00 72.23 O ATOM 1122 CB ALA A 76 -10.310 11.614 -17.652 1.00 4.01 C ATOM 0 H ALA A 76 -8.965 9.622 -18.179 1.00 30.45 H new ATOM 0 HA ALA A 76 -10.826 10.199 -16.093 1.00 74.12 H new ATOM 0 HB1 ALA A 76 -11.096 12.320 -17.386 1.00 4.01 H new ATOM 0 HB2 ALA A 76 -9.378 11.910 -17.171 1.00 4.01 H new ATOM 0 HB3 ALA A 76 -10.175 11.612 -18.734 1.00 4.01 H new ATOM 1128 N LEU A 77 -12.041 9.302 -19.002 1.00 35.45 N ATOM 1129 CA LEU A 77 -13.270 8.873 -19.648 1.00 33.03 C ATOM 1130 C LEU A 77 -13.709 7.502 -19.150 1.00 4.34 C ATOM 1131 O LEU A 77 -14.902 7.241 -19.067 1.00 13.22 O ATOM 1132 CB LEU A 77 -13.117 8.897 -21.178 1.00 15.52 C ATOM 1133 CG LEU A 77 -12.230 7.826 -21.845 1.00 41.43 C ATOM 1134 CD1 LEU A 77 -13.025 6.537 -22.205 1.00 40.30 C ATOM 1135 CD2 LEU A 77 -11.620 8.348 -23.104 1.00 31.31 C ATOM 0 H LEU A 77 -11.202 9.211 -19.575 1.00 35.45 H new ATOM 0 HA LEU A 77 -14.057 9.578 -19.380 1.00 33.03 H new ATOM 0 HB2 LEU A 77 -14.114 8.819 -21.612 1.00 15.52 H new ATOM 0 HB3 LEU A 77 -12.723 9.874 -21.457 1.00 15.52 H new ATOM 0 HG LEU A 77 -11.459 7.580 -21.114 1.00 41.43 H new ATOM 0 HD11 LEU A 77 -12.355 5.815 -22.672 1.00 40.30 H new ATOM 0 HD12 LEU A 77 -13.449 6.106 -21.298 1.00 40.30 H new ATOM 0 HD13 LEU A 77 -13.829 6.787 -22.898 1.00 40.30 H new ATOM 0 HD21 LEU A 77 -10.999 7.574 -23.556 1.00 31.31 H new ATOM 0 HD22 LEU A 77 -12.409 8.632 -23.800 1.00 31.31 H new ATOM 0 HD23 LEU A 77 -11.006 9.219 -22.877 1.00 31.31 H new ATOM 1147 N ALA A 78 -12.760 6.666 -18.759 1.00 22.35 N ATOM 1148 CA ALA A 78 -13.077 5.343 -18.217 1.00 32.12 C ATOM 1149 C ALA A 78 -13.951 5.456 -16.963 1.00 32.02 C ATOM 1150 O ALA A 78 -14.858 4.650 -16.755 1.00 52.24 O ATOM 1151 CB ALA A 78 -11.789 4.585 -17.892 1.00 71.43 C ATOM 0 H ALA A 78 -11.763 6.875 -18.805 1.00 22.35 H new ATOM 0 HA ALA A 78 -13.636 4.792 -18.973 1.00 32.12 H new ATOM 0 HB1 ALA A 78 -12.037 3.603 -17.490 1.00 71.43 H new ATOM 0 HB2 ALA A 78 -11.197 4.467 -18.800 1.00 71.43 H new ATOM 0 HB3 ALA A 78 -11.214 5.145 -17.154 1.00 71.43 H new ATOM 1157 N ALA A 79 -13.722 6.488 -16.164 1.00 51.41 N ATOM 1158 CA ALA A 79 -14.515 6.717 -14.957 1.00 73.41 C ATOM 1159 C ALA A 79 -16.000 6.933 -15.283 1.00 62.24 C ATOM 1160 O ALA A 79 -16.879 6.630 -14.475 1.00 4.53 O ATOM 1161 CB ALA A 79 -13.955 7.926 -14.193 1.00 22.44 C ATOM 0 H ALA A 79 -12.993 7.183 -16.327 1.00 51.41 H new ATOM 0 HA ALA A 79 -14.446 5.826 -14.333 1.00 73.41 H new ATOM 0 HB1 ALA A 79 -14.548 8.095 -13.294 1.00 22.44 H new ATOM 0 HB2 ALA A 79 -12.919 7.732 -13.914 1.00 22.44 H new ATOM 0 HB3 ALA A 79 -14.000 8.811 -14.828 1.00 22.44 H new ATOM 1167 N LYS A 80 -16.290 7.441 -16.477 1.00 31.41 N ATOM 1168 CA LYS A 80 -17.674 7.694 -16.874 1.00 54.34 C ATOM 1169 C LYS A 80 -18.415 6.432 -17.276 1.00 32.52 C ATOM 1170 O LYS A 80 -19.635 6.468 -17.417 1.00 55.34 O ATOM 1171 CB LYS A 80 -17.749 8.690 -18.039 1.00 31.41 C ATOM 1172 CG LYS A 80 -17.182 10.095 -17.744 1.00 23.40 C ATOM 1173 CD LYS A 80 -17.858 10.809 -16.540 1.00 44.11 C ATOM 1174 CE LYS A 80 -19.396 10.903 -16.654 1.00 14.42 C ATOM 1175 NZ LYS A 80 -19.888 11.636 -17.871 1.00 23.21 N ATOM 0 H LYS A 80 -15.594 7.684 -17.182 1.00 31.41 H new ATOM 0 HA LYS A 80 -18.155 8.112 -15.990 1.00 54.34 H new ATOM 0 HB2 LYS A 80 -17.211 8.270 -18.889 1.00 31.41 H new ATOM 0 HB3 LYS A 80 -18.791 8.793 -18.341 1.00 31.41 H new ATOM 0 HG2 LYS A 80 -16.113 10.011 -17.550 1.00 23.40 H new ATOM 0 HG3 LYS A 80 -17.297 10.716 -18.633 1.00 23.40 H new ATOM 0 HD2 LYS A 80 -17.603 10.276 -15.624 1.00 44.11 H new ATOM 0 HD3 LYS A 80 -17.448 11.815 -16.449 1.00 44.11 H new ATOM 0 HE2 LYS A 80 -19.809 9.894 -16.661 1.00 14.42 H new ATOM 0 HE3 LYS A 80 -19.784 11.400 -15.765 1.00 14.42 H new ATOM 0 HZ1 LYS A 80 -20.928 11.653 -17.869 1.00 23.21 H new ATOM 0 HZ2 LYS A 80 -19.526 12.611 -17.859 1.00 23.21 H new ATOM 0 HZ3 LYS A 80 -19.551 11.152 -18.728 1.00 23.21 H new ATOM 1189 N SER A 81 -17.715 5.320 -17.446 1.00 71.35 N ATOM 1190 CA SER A 81 -18.377 4.068 -17.808 1.00 64.21 C ATOM 1191 C SER A 81 -19.247 3.596 -16.651 1.00 33.12 C ATOM 1192 O SER A 81 -20.345 3.092 -16.856 1.00 51.01 O ATOM 1193 CB SER A 81 -17.334 2.994 -18.140 1.00 42.03 C ATOM 1194 OG SER A 81 -17.948 1.761 -18.472 1.00 41.42 O ATOM 0 H SER A 81 -16.702 5.255 -17.342 1.00 71.35 H new ATOM 0 HA SER A 81 -19.000 4.239 -18.686 1.00 64.21 H new ATOM 0 HB2 SER A 81 -16.716 3.330 -18.973 1.00 42.03 H new ATOM 0 HB3 SER A 81 -16.670 2.853 -17.287 1.00 42.03 H new ATOM 0 HG SER A 81 -17.258 1.097 -18.680 1.00 41.42 H new ATOM 1200 N ALA A 82 -18.797 3.852 -15.428 1.00 62.34 N ATOM 1201 CA ALA A 82 -19.563 3.461 -14.247 1.00 72.32 C ATOM 1202 C ALA A 82 -20.874 4.246 -14.177 1.00 42.43 C ATOM 1203 O ALA A 82 -21.892 3.733 -13.741 1.00 73.41 O ATOM 1204 CB ALA A 82 -18.731 3.700 -12.978 1.00 32.24 C ATOM 0 H ALA A 82 -17.915 4.324 -15.227 1.00 62.34 H new ATOM 0 HA ALA A 82 -19.800 2.399 -14.319 1.00 72.32 H new ATOM 0 HB1 ALA A 82 -19.310 3.406 -12.103 1.00 32.24 H new ATOM 0 HB2 ALA A 82 -17.817 3.107 -13.025 1.00 32.24 H new ATOM 0 HB3 ALA A 82 -18.474 4.757 -12.905 1.00 32.24 H new ATOM 1210 N SER A 83 -20.835 5.493 -14.626 1.00 64.42 N ATOM 1211 CA SER A 83 -22.006 6.367 -14.592 1.00 74.30 C ATOM 1212 C SER A 83 -22.865 6.256 -15.854 1.00 40.14 C ATOM 1213 O SER A 83 -23.836 6.981 -16.006 1.00 20.51 O ATOM 1214 CB SER A 83 -21.557 7.809 -14.411 1.00 20.31 C ATOM 1215 OG SER A 83 -20.665 8.183 -15.444 1.00 15.45 O ATOM 0 H SER A 83 -20.001 5.927 -15.021 1.00 64.42 H new ATOM 0 HA SER A 83 -22.623 6.047 -13.752 1.00 74.30 H new ATOM 0 HB2 SER A 83 -22.424 8.469 -14.414 1.00 20.31 H new ATOM 0 HB3 SER A 83 -21.071 7.926 -13.442 1.00 20.31 H new ATOM 0 HG SER A 83 -20.546 7.431 -16.061 1.00 15.45 H new ATOM 1221 N TRP A 84 -22.495 5.365 -16.761 1.00 74.33 N ATOM 1222 CA TRP A 84 -23.293 5.122 -17.962 1.00 72.33 C ATOM 1223 C TRP A 84 -24.379 4.113 -17.587 1.00 12.13 C ATOM 1224 O TRP A 84 -25.473 4.106 -18.146 1.00 72.21 O ATOM 1225 CB TRP A 84 -22.410 4.566 -19.084 1.00 23.34 C ATOM 1226 CG TRP A 84 -23.113 4.487 -20.405 1.00 64.12 C ATOM 1227 CD1 TRP A 84 -23.185 5.453 -21.358 1.00 34.01 C ATOM 1228 CD2 TRP A 84 -23.849 3.368 -20.944 1.00 31.51 C ATOM 1229 NE1 TRP A 84 -23.900 5.045 -22.440 1.00 14.33 N ATOM 1230 CE2 TRP A 84 -24.332 3.762 -22.232 1.00 41.04 C ATOM 1231 CE3 TRP A 84 -24.148 2.070 -20.477 1.00 24.14 C ATOM 1232 CZ2 TRP A 84 -25.091 2.907 -23.048 1.00 41.43 C ATOM 1233 CZ3 TRP A 84 -24.918 1.206 -21.298 1.00 71.02 C ATOM 1234 CH2 TRP A 84 -25.377 1.635 -22.575 1.00 21.03 C ATOM 0 H TRP A 84 -21.650 4.797 -16.693 1.00 74.33 H new ATOM 0 HA TRP A 84 -23.739 6.049 -18.324 1.00 72.33 H new ATOM 0 HB2 TRP A 84 -21.526 5.195 -19.187 1.00 23.34 H new ATOM 0 HB3 TRP A 84 -22.062 3.571 -18.805 1.00 23.34 H new ATOM 0 HD1 TRP A 84 -22.729 6.428 -21.267 1.00 34.01 H new ATOM 0 HE1 TRP A 84 -24.085 5.604 -23.273 1.00 14.33 H new ATOM 0 HE3 TRP A 84 -23.796 1.740 -19.511 1.00 24.14 H new ATOM 0 HZ2 TRP A 84 -25.442 3.231 -24.017 1.00 41.43 H new ATOM 0 HZ3 TRP A 84 -25.158 0.212 -20.950 1.00 71.02 H new ATOM 0 HH2 TRP A 84 -25.957 0.959 -23.186 1.00 21.03 H new ATOM 1245 N SER A 85 -24.063 3.287 -16.602 1.00 21.33 N ATOM 1246 CA SER A 85 -24.999 2.303 -16.086 1.00 61.34 C ATOM 1247 C SER A 85 -26.192 2.992 -15.431 1.00 11.12 C ATOM 1248 O SER A 85 -26.042 4.022 -14.765 1.00 22.52 O ATOM 1249 CB SER A 85 -24.298 1.422 -15.057 1.00 32.11 C ATOM 1250 OG SER A 85 -23.138 0.841 -15.625 1.00 31.21 O ATOM 0 H SER A 85 -23.154 3.280 -16.140 1.00 21.33 H new ATOM 0 HA SER A 85 -25.355 1.692 -16.915 1.00 61.34 H new ATOM 0 HB2 SER A 85 -24.027 2.015 -14.183 1.00 32.11 H new ATOM 0 HB3 SER A 85 -24.976 0.640 -14.714 1.00 32.11 H new ATOM 0 HG SER A 85 -22.693 0.278 -14.957 1.00 31.21 H new ATOM 1256 N HIS A 86 -27.377 2.438 -15.634 1.00 4.12 N ATOM 1257 CA HIS A 86 -28.592 3.010 -15.063 1.00 63.44 C ATOM 1258 C HIS A 86 -28.604 2.877 -13.543 1.00 41.21 C ATOM 1259 O HIS A 86 -28.044 1.927 -12.991 1.00 54.00 O ATOM 1260 CB HIS A 86 -29.820 2.298 -15.630 1.00 63.12 C ATOM 1261 CG HIS A 86 -30.311 2.890 -16.912 1.00 64.54 C ATOM 1262 ND1 HIS A 86 -31.662 3.101 -17.177 1.00 32.42 N ATOM 1263 CD2 HIS A 86 -29.664 3.348 -18.017 1.00 72.34 C ATOM 1264 CE1 HIS A 86 -31.785 3.662 -18.370 1.00 53.41 C ATOM 1265 NE2 HIS A 86 -30.595 3.815 -18.897 1.00 13.33 N ATOM 0 H HIS A 86 -27.526 1.595 -16.188 1.00 4.12 H new ATOM 0 HA HIS A 86 -28.616 4.068 -15.325 1.00 63.44 H new ATOM 0 HB2 HIS A 86 -29.579 1.248 -15.793 1.00 63.12 H new ATOM 0 HB3 HIS A 86 -30.622 2.331 -14.893 1.00 63.12 H new ATOM 0 HD1 HIS A 86 -32.432 2.862 -16.553 1.00 32.42 H new ATOM 0 HD2 HIS A 86 -28.595 3.343 -18.171 1.00 72.34 H new ATOM 0 HE1 HIS A 86 -32.717 3.948 -18.835 1.00 53.41 H new ATOM 1273 N PRO A 87 -29.262 3.821 -12.847 1.00 5.21 N ATOM 1274 CA PRO A 87 -29.343 3.686 -11.389 1.00 52.42 C ATOM 1275 C PRO A 87 -30.290 2.557 -10.988 1.00 12.44 C ATOM 1276 O PRO A 87 -31.157 2.166 -11.754 1.00 10.11 O ATOM 1277 CB PRO A 87 -29.903 5.048 -10.958 1.00 24.44 C ATOM 1278 CG PRO A 87 -30.741 5.468 -12.105 1.00 72.40 C ATOM 1279 CD PRO A 87 -29.975 5.026 -13.316 1.00 21.51 C ATOM 0 HA PRO A 87 -28.388 3.439 -10.926 1.00 52.42 H new ATOM 0 HB2 PRO A 87 -30.490 4.967 -10.043 1.00 24.44 H new ATOM 0 HB3 PRO A 87 -29.105 5.764 -10.763 1.00 24.44 H new ATOM 0 HG2 PRO A 87 -31.726 5.003 -12.068 1.00 72.40 H new ATOM 0 HG3 PRO A 87 -30.898 6.547 -12.107 1.00 72.40 H new ATOM 0 HD2 PRO A 87 -30.638 4.801 -14.151 1.00 21.51 H new ATOM 0 HD3 PRO A 87 -29.283 5.796 -13.657 1.00 21.51 H new ATOM 1287 N GLN A 88 -30.137 2.043 -9.772 1.00 51.11 N ATOM 1288 CA GLN A 88 -31.013 0.976 -9.278 1.00 54.22 C ATOM 1289 C GLN A 88 -32.460 1.464 -9.164 1.00 24.13 C ATOM 1290 O GLN A 88 -33.402 0.716 -9.408 1.00 43.15 O ATOM 1291 CB GLN A 88 -30.517 0.478 -7.914 1.00 63.13 C ATOM 1292 CG GLN A 88 -31.309 -0.711 -7.359 1.00 62.41 C ATOM 1293 CD GLN A 88 -31.247 -1.935 -8.261 1.00 51.24 C ATOM 1294 OE1 GLN A 88 -30.265 -2.656 -8.277 1.00 13.54 O ATOM 1295 NE2 GLN A 88 -32.293 -2.163 -9.019 1.00 71.35 N ATOM 0 H GLN A 88 -29.421 2.343 -9.111 1.00 51.11 H new ATOM 0 HA GLN A 88 -30.985 0.153 -9.992 1.00 54.22 H new ATOM 0 HB2 GLN A 88 -29.468 0.194 -8.002 1.00 63.13 H new ATOM 0 HB3 GLN A 88 -30.566 1.299 -7.199 1.00 63.13 H new ATOM 0 HG2 GLN A 88 -30.922 -0.971 -6.374 1.00 62.41 H new ATOM 0 HG3 GLN A 88 -32.350 -0.417 -7.225 1.00 62.41 H new ATOM 0 HE21 GLN A 88 -33.098 -1.538 -8.979 1.00 71.35 H new ATOM 0 HE22 GLN A 88 -32.302 -2.966 -9.648 1.00 71.35 H new ATOM 1304 N PHE A 89 -32.626 2.734 -8.825 1.00 50.23 N ATOM 1305 CA PHE A 89 -33.943 3.352 -8.799 1.00 3.51 C ATOM 1306 C PHE A 89 -34.075 4.146 -10.087 1.00 64.44 C ATOM 1307 O PHE A 89 -33.447 5.192 -10.236 1.00 72.53 O ATOM 1308 CB PHE A 89 -34.076 4.298 -7.604 1.00 65.42 C ATOM 1309 CG PHE A 89 -34.096 3.596 -6.270 1.00 44.43 C ATOM 1310 CD1 PHE A 89 -32.893 3.317 -5.584 1.00 71.14 C ATOM 1311 CD2 PHE A 89 -35.316 3.218 -5.685 1.00 22.25 C ATOM 1312 CE1 PHE A 89 -32.916 2.668 -4.326 1.00 53.42 C ATOM 1313 CE2 PHE A 89 -35.350 2.569 -4.420 1.00 21.41 C ATOM 1314 CZ PHE A 89 -34.155 2.299 -3.742 1.00 40.30 C ATOM 0 H PHE A 89 -31.863 3.358 -8.563 1.00 50.23 H new ATOM 0 HA PHE A 89 -34.719 2.592 -8.709 1.00 3.51 H new ATOM 0 HB2 PHE A 89 -33.247 5.006 -7.619 1.00 65.42 H new ATOM 0 HB3 PHE A 89 -34.992 4.878 -7.712 1.00 65.42 H new ATOM 0 HD1 PHE A 89 -31.948 3.601 -6.023 1.00 71.14 H new ATOM 0 HD2 PHE A 89 -36.241 3.423 -6.203 1.00 22.25 H new ATOM 0 HE1 PHE A 89 -31.991 2.454 -3.811 1.00 53.42 H new ATOM 0 HE2 PHE A 89 -36.296 2.285 -3.983 1.00 21.41 H new ATOM 0 HZ PHE A 89 -34.176 1.812 -2.778 1.00 40.30 H new ATOM 1324 N GLU A 90 -34.897 3.657 -11.001 1.00 11.32 N ATOM 1325 CA GLU A 90 -35.098 4.318 -12.292 1.00 30.54 C ATOM 1326 C GLU A 90 -36.080 5.471 -12.127 1.00 54.32 C ATOM 1327 O GLU A 90 -37.132 5.313 -11.506 1.00 12.02 O ATOM 1328 CB GLU A 90 -35.658 3.312 -13.312 1.00 44.03 C ATOM 1329 CG GLU A 90 -34.711 2.148 -13.644 1.00 42.12 C ATOM 1330 CD GLU A 90 -33.678 2.502 -14.705 1.00 52.52 C ATOM 1331 OE1 GLU A 90 -33.231 3.666 -14.779 1.00 31.55 O ATOM 1332 OE2 GLU A 90 -33.331 1.612 -15.513 1.00 2.12 O ATOM 0 H GLU A 90 -35.440 2.802 -10.878 1.00 11.32 H new ATOM 0 HA GLU A 90 -34.142 4.700 -12.651 1.00 30.54 H new ATOM 0 HB2 GLU A 90 -36.593 2.905 -12.926 1.00 44.03 H new ATOM 0 HB3 GLU A 90 -35.898 3.843 -14.233 1.00 44.03 H new ATOM 0 HG2 GLU A 90 -34.197 1.835 -12.735 1.00 42.12 H new ATOM 0 HG3 GLU A 90 -35.298 1.296 -13.987 1.00 42.12 H new ATOM 1339 N LYS A 91 -35.729 6.627 -12.676 1.00 1.35 N ATOM 1340 CA LYS A 91 -36.570 7.828 -12.650 1.00 22.32 C ATOM 1341 C LYS A 91 -36.270 8.534 -13.956 1.00 4.52 C ATOM 1342 O LYS A 91 -35.185 8.225 -14.498 1.00 24.45 O ATOM 1343 CB LYS A 91 -36.210 8.781 -11.499 1.00 53.12 C ATOM 1344 CG LYS A 91 -36.781 8.403 -10.119 1.00 43.12 C ATOM 1345 CD LYS A 91 -35.874 7.477 -9.275 1.00 74.41 C ATOM 1346 CE LYS A 91 -34.483 8.062 -9.004 1.00 11.03 C ATOM 1347 NZ LYS A 91 -34.561 9.418 -8.377 1.00 70.21 N ATOM 0 H LYS A 91 -34.841 6.764 -13.159 1.00 1.35 H new ATOM 0 HA LYS A 91 -37.615 7.550 -12.514 1.00 22.32 H new ATOM 0 HB2 LYS A 91 -35.124 8.834 -11.421 1.00 53.12 H new ATOM 0 HB3 LYS A 91 -36.560 9.781 -11.756 1.00 53.12 H new ATOM 0 HG2 LYS A 91 -36.968 9.317 -9.556 1.00 43.12 H new ATOM 0 HG3 LYS A 91 -37.744 7.914 -10.261 1.00 43.12 H new ATOM 0 HD2 LYS A 91 -36.364 7.271 -8.323 1.00 74.41 H new ATOM 0 HD3 LYS A 91 -35.764 6.523 -9.790 1.00 74.41 H new ATOM 0 HE2 LYS A 91 -33.928 7.390 -8.349 1.00 11.03 H new ATOM 0 HE3 LYS A 91 -33.927 8.126 -9.940 1.00 11.03 H new ATOM 0 HZ1 LYS A 91 -33.605 9.736 -8.117 1.00 70.21 H new ATOM 0 HZ2 LYS A 91 -34.977 10.090 -9.053 1.00 70.21 H new ATOM 0 HZ3 LYS A 91 -35.155 9.373 -7.524 1.00 70.21 H new TER 1361 LYS A 91