USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 481 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00377 USER MOD Single : A 10 MET CE :methyl 161:sc= -11.9! (180deg=-13.8!) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 0.447 (180deg=-1.46!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -2.07 F(o=-3.9!,f=-2.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.52 F(o=-4.3!,f=-0.52) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -156:sc= 0.424 USER MOD Single : A 62 GLN :FLIP amide:sc= -3.83! C(o=-9.4!,f=-3.8!) USER MOD Single : A 64 SER OG : rot 11:sc= -1.44 USER MOD Single : A 67 ASN : amide:sc= -3.67! C(o=-3.7!,f=-4.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.658 18.389 -6.648 1.00 14.02 N ATOM 2 CA GLY A 1 6.609 18.937 -5.808 1.00 53.10 C ATOM 3 C GLY A 1 5.785 17.859 -5.132 1.00 32.01 C ATOM 4 O GLY A 1 4.563 17.826 -5.268 1.00 1.35 O ATOM 0 H1 GLY A 1 8.192 19.166 -7.087 1.00 14.02 H new ATOM 0 H2 GLY A 1 8.300 17.811 -6.069 1.00 14.02 H new ATOM 0 H3 GLY A 1 7.234 17.797 -7.391 1.00 14.02 H new ATOM 0 HA2 GLY A 1 7.054 19.579 -5.048 1.00 53.10 H new ATOM 0 HA3 GLY A 1 5.954 19.565 -6.413 1.00 53.10 H new ATOM 8 N ALA A 2 6.456 16.972 -4.405 1.00 51.44 N ATOM 9 CA ALA A 2 5.778 15.888 -3.706 1.00 63.42 C ATOM 10 C ALA A 2 6.482 15.555 -2.394 1.00 21.33 C ATOM 11 O ALA A 2 7.407 14.744 -2.364 1.00 71.11 O ATOM 12 CB ALA A 2 5.701 14.654 -4.593 1.00 2.20 C ATOM 0 H ALA A 2 7.469 16.983 -4.285 1.00 51.44 H new ATOM 0 HA ALA A 2 4.766 16.218 -3.472 1.00 63.42 H new ATOM 0 HB1 ALA A 2 5.192 13.852 -4.058 1.00 2.20 H new ATOM 0 HB2 ALA A 2 5.147 14.893 -5.501 1.00 2.20 H new ATOM 0 HB3 ALA A 2 6.708 14.332 -4.856 1.00 2.20 H new ATOM 18 N MET A 3 6.037 16.186 -1.313 1.00 41.44 N ATOM 19 CA MET A 3 6.625 15.956 0.002 1.00 1.22 C ATOM 20 C MET A 3 5.614 15.312 0.944 1.00 62.44 C ATOM 21 O MET A 3 5.739 14.139 1.296 1.00 24.52 O ATOM 22 CB MET A 3 7.128 17.272 0.597 1.00 5.44 C ATOM 23 CG MET A 3 8.156 17.088 1.701 1.00 74.41 C ATOM 24 SD MET A 3 7.493 16.210 3.129 1.00 24.12 S ATOM 25 CE MET A 3 8.603 16.771 4.418 1.00 2.41 C ATOM 0 H MET A 3 5.272 16.860 -1.321 1.00 41.44 H new ATOM 0 HA MET A 3 7.468 15.275 -0.119 1.00 1.22 H new ATOM 0 HB2 MET A 3 7.565 17.877 -0.198 1.00 5.44 H new ATOM 0 HB3 MET A 3 6.279 17.830 0.992 1.00 5.44 H new ATOM 0 HG2 MET A 3 9.012 16.539 1.307 1.00 74.41 H new ATOM 0 HG3 MET A 3 8.522 18.065 2.018 1.00 74.41 H new ATOM 0 HE1 MET A 3 8.321 16.313 5.366 1.00 2.41 H new ATOM 0 HE2 MET A 3 9.625 16.486 4.168 1.00 2.41 H new ATOM 0 HE3 MET A 3 8.540 17.856 4.506 1.00 2.41 H new ATOM 33 N GLY A 4 4.613 16.086 1.351 1.00 20.33 N ATOM 34 CA GLY A 4 3.595 15.573 2.249 1.00 33.13 C ATOM 35 C GLY A 4 4.174 15.082 3.561 1.00 21.45 C ATOM 36 O GLY A 4 5.286 14.557 3.615 1.00 62.31 O ATOM 0 H GLY A 4 4.489 17.060 1.075 1.00 20.33 H new ATOM 0 HA2 GLY A 4 2.863 16.356 2.449 1.00 33.13 H new ATOM 0 HA3 GLY A 4 3.063 14.756 1.762 1.00 33.13 H new ATOM 40 N PRO A 5 3.411 15.255 4.650 1.00 72.35 N ATOM 41 CA PRO A 5 3.835 14.833 5.989 1.00 33.24 C ATOM 42 C PRO A 5 3.871 13.315 6.134 1.00 44.45 C ATOM 43 O PRO A 5 4.634 12.778 6.938 1.00 4.32 O ATOM 44 CB PRO A 5 2.765 15.433 6.905 1.00 13.44 C ATOM 45 CG PRO A 5 1.560 15.573 6.040 1.00 52.15 C ATOM 46 CD PRO A 5 2.075 15.874 4.659 1.00 5.51 C ATOM 0 HA PRO A 5 4.848 15.164 6.220 1.00 33.24 H new ATOM 0 HB2 PRO A 5 2.566 14.785 7.759 1.00 13.44 H new ATOM 0 HB3 PRO A 5 3.080 16.397 7.303 1.00 13.44 H new ATOM 0 HG2 PRO A 5 0.968 14.658 6.045 1.00 52.15 H new ATOM 0 HG3 PRO A 5 0.913 16.374 6.398 1.00 52.15 H new ATOM 0 HD2 PRO A 5 1.431 15.450 3.889 1.00 5.51 H new ATOM 0 HD3 PRO A 5 2.128 16.947 4.475 1.00 5.51 H new ATOM 51 N ARG A 6 3.043 12.631 5.353 1.00 31.44 N ATOM 52 CA ARG A 6 2.980 11.175 5.395 1.00 41.55 C ATOM 53 C ARG A 6 3.216 10.580 4.010 1.00 41.15 C ATOM 54 O ARG A 6 2.329 10.597 3.158 1.00 71.04 O ATOM 55 CB ARG A 6 1.624 10.717 5.935 1.00 1.42 C ATOM 56 CG ARG A 6 1.132 11.534 7.118 1.00 40.44 C ATOM 57 CD ARG A 6 -0.291 11.160 7.501 1.00 24.45 C ATOM 58 NE ARG A 6 -1.073 12.325 7.906 1.00 44.12 N ATOM 59 CZ ARG A 6 -2.147 12.254 8.685 1.00 54.11 C ATOM 60 NH1 ARG A 6 -2.565 11.081 9.139 1.00 72.14 N ATOM 61 NH2 ARG A 6 -2.805 13.359 9.010 1.00 65.25 N ATOM 0 H ARG A 6 2.406 13.061 4.683 1.00 31.44 H new ATOM 0 HA ARG A 6 3.767 10.822 6.062 1.00 41.55 H new ATOM 0 HB2 ARG A 6 0.886 10.772 5.134 1.00 1.42 H new ATOM 0 HB3 ARG A 6 1.695 9.671 6.232 1.00 1.42 H new ATOM 0 HG2 ARG A 6 1.793 11.376 7.970 1.00 40.44 H new ATOM 0 HG3 ARG A 6 1.177 12.595 6.872 1.00 40.44 H new ATOM 0 HD2 ARG A 6 -0.778 10.673 6.656 1.00 24.45 H new ATOM 0 HD3 ARG A 6 -0.269 10.437 8.316 1.00 24.45 H new ATOM 0 HE ARG A 6 -0.779 13.243 7.573 1.00 44.12 H new ATOM 0 HH11 ARG A 6 -2.062 10.229 8.891 1.00 72.14 H new ATOM 0 HH12 ARG A 6 -3.390 11.030 9.737 1.00 72.14 H new ATOM 0 HH21 ARG A 6 -2.486 14.263 8.662 1.00 65.25 H new ATOM 0 HH22 ARG A 6 -3.629 13.304 9.608 1.00 65.25 H new ATOM 72 N GLU A 7 4.418 10.054 3.794 1.00 62.32 N ATOM 73 CA GLU A 7 4.771 9.455 2.512 1.00 63.43 C ATOM 74 C GLU A 7 4.960 7.947 2.650 1.00 55.44 C ATOM 75 O GLU A 7 6.001 7.481 3.114 1.00 60.01 O ATOM 76 CB GLU A 7 6.047 10.093 1.960 1.00 21.00 C ATOM 77 CG GLU A 7 5.963 11.604 1.826 1.00 54.33 C ATOM 78 CD GLU A 7 6.728 12.330 2.915 1.00 74.35 C ATOM 79 OE1 GLU A 7 6.366 12.170 4.101 1.00 13.03 O ATOM 80 OE2 GLU A 7 7.689 13.056 2.585 1.00 22.10 O ATOM 0 H GLU A 7 5.163 10.031 4.490 1.00 62.32 H new ATOM 0 HA GLU A 7 3.952 9.638 1.816 1.00 63.43 H new ATOM 0 HB2 GLU A 7 6.882 9.841 2.614 1.00 21.00 H new ATOM 0 HB3 GLU A 7 6.266 9.662 0.983 1.00 21.00 H new ATOM 0 HG2 GLU A 7 6.354 11.901 0.853 1.00 54.33 H new ATOM 0 HG3 GLU A 7 4.917 11.910 1.856 1.00 54.33 H new ATOM 85 N VAL A 8 3.946 7.189 2.245 1.00 51.02 N ATOM 86 CA VAL A 8 4.001 5.734 2.322 1.00 51.13 C ATOM 87 C VAL A 8 4.630 5.140 1.067 1.00 42.14 C ATOM 88 O VAL A 8 4.193 5.416 -0.051 1.00 51.14 O ATOM 89 CB VAL A 8 2.598 5.130 2.515 1.00 64.10 C ATOM 90 CG1 VAL A 8 1.894 4.973 1.175 1.00 51.44 C ATOM 91 CG2 VAL A 8 2.688 3.794 3.238 1.00 45.14 C ATOM 0 H VAL A 8 3.077 7.558 1.860 1.00 51.02 H new ATOM 0 HA VAL A 8 4.618 5.486 3.186 1.00 51.13 H new ATOM 0 HB VAL A 8 2.010 5.812 3.130 1.00 64.10 H new ATOM 0 HG11 VAL A 8 0.904 4.545 1.332 1.00 51.44 H new ATOM 0 HG12 VAL A 8 1.796 5.949 0.699 1.00 51.44 H new ATOM 0 HG13 VAL A 8 2.477 4.313 0.533 1.00 51.44 H new ATOM 0 HG21 VAL A 8 1.687 3.381 3.366 1.00 45.14 H new ATOM 0 HG22 VAL A 8 3.293 3.103 2.651 1.00 45.14 H new ATOM 0 HG23 VAL A 8 3.148 3.939 4.215 1.00 45.14 H new ATOM 101 N THR A 9 5.660 4.322 1.259 1.00 14.33 N ATOM 102 CA THR A 9 6.350 3.689 0.143 1.00 32.31 C ATOM 103 C THR A 9 6.418 2.177 0.324 1.00 23.43 C ATOM 104 O THR A 9 6.817 1.686 1.379 1.00 63.03 O ATOM 105 CB THR A 9 7.780 4.238 -0.018 1.00 52.04 C ATOM 106 OG1 THR A 9 8.654 3.615 0.930 1.00 11.41 O ATOM 107 CG2 THR A 9 7.805 5.747 0.177 1.00 72.53 C ATOM 0 H THR A 9 6.034 4.083 2.177 1.00 14.33 H new ATOM 0 HA THR A 9 5.776 3.920 -0.754 1.00 32.31 H new ATOM 0 HB THR A 9 8.121 4.012 -1.028 1.00 52.04 H new ATOM 0 HG1 THR A 9 9.561 3.968 0.820 1.00 11.41 H new ATOM 0 HG21 THR A 9 8.825 6.112 0.059 1.00 72.53 H new ATOM 0 HG22 THR A 9 7.162 6.220 -0.565 1.00 72.53 H new ATOM 0 HG23 THR A 9 7.446 5.991 1.177 1.00 72.53 H new ATOM 115 N MET A 10 6.023 1.443 -0.713 1.00 53.14 N ATOM 116 CA MET A 10 6.041 -0.015 -0.667 1.00 14.11 C ATOM 117 C MET A 10 7.338 -0.562 -1.253 1.00 14.43 C ATOM 118 O MET A 10 7.767 -0.149 -2.331 1.00 1.22 O ATOM 119 CB MET A 10 4.843 -0.584 -1.430 1.00 70.14 C ATOM 120 CG MET A 10 3.501 -0.147 -0.865 1.00 31.30 C ATOM 121 SD MET A 10 2.143 -0.412 -2.021 1.00 2.42 S ATOM 122 CE MET A 10 2.858 -1.641 -3.109 1.00 33.30 C ATOM 0 H MET A 10 5.687 1.834 -1.593 1.00 53.14 H new ATOM 0 HA MET A 10 5.978 -0.322 0.377 1.00 14.11 H new ATOM 0 HB2 MET A 10 4.907 -0.275 -2.473 1.00 70.14 H new ATOM 0 HB3 MET A 10 4.897 -1.673 -1.416 1.00 70.14 H new ATOM 0 HG2 MET A 10 3.302 -0.696 0.055 1.00 31.30 H new ATOM 0 HG3 MET A 10 3.548 0.910 -0.602 1.00 31.30 H new ATOM 0 HE1 MET A 10 2.064 -2.151 -3.654 1.00 33.30 H new ATOM 0 HE2 MET A 10 3.529 -1.154 -3.816 1.00 33.30 H new ATOM 0 HE3 MET A 10 3.417 -2.368 -2.520 1.00 33.30 H new ATOM 130 N LYS A 11 7.961 -1.492 -0.538 1.00 30.50 N ATOM 131 CA LYS A 11 9.208 -2.096 -0.987 1.00 55.13 C ATOM 132 C LYS A 11 8.999 -3.558 -1.370 1.00 23.40 C ATOM 133 O LYS A 11 8.552 -4.366 -0.555 1.00 71.21 O ATOM 134 CB LYS A 11 10.273 -1.993 0.108 1.00 33.53 C ATOM 135 CG LYS A 11 9.702 -1.702 1.485 1.00 52.32 C ATOM 136 CD LYS A 11 10.747 -1.890 2.573 1.00 5.24 C ATOM 137 CE LYS A 11 11.394 -3.263 2.491 1.00 71.05 C ATOM 138 NZ LYS A 11 11.577 -3.871 3.839 1.00 41.35 N ATOM 0 H LYS A 11 7.621 -1.844 0.357 1.00 30.50 H new ATOM 0 HA LYS A 11 9.548 -1.552 -1.869 1.00 55.13 H new ATOM 0 HB2 LYS A 11 10.834 -2.927 0.146 1.00 33.53 H new ATOM 0 HB3 LYS A 11 10.980 -1.207 -0.157 1.00 33.53 H new ATOM 0 HG2 LYS A 11 9.324 -0.680 1.515 1.00 52.32 H new ATOM 0 HG3 LYS A 11 8.855 -2.361 1.675 1.00 52.32 H new ATOM 0 HD2 LYS A 11 11.513 -1.120 2.481 1.00 5.24 H new ATOM 0 HD3 LYS A 11 10.283 -1.763 3.551 1.00 5.24 H new ATOM 0 HE2 LYS A 11 10.777 -3.919 1.877 1.00 71.05 H new ATOM 0 HE3 LYS A 11 12.361 -3.180 1.996 1.00 71.05 H new ATOM 0 HZ1 LYS A 11 12.547 -4.236 3.926 1.00 41.35 H new ATOM 0 HZ2 LYS A 11 11.411 -3.150 4.570 1.00 41.35 H new ATOM 0 HZ3 LYS A 11 10.901 -4.651 3.963 1.00 41.35 H new ATOM 148 N LYS A 12 9.324 -3.892 -2.614 1.00 74.13 N ATOM 149 CA LYS A 12 9.175 -5.257 -3.105 1.00 65.11 C ATOM 150 C LYS A 12 9.685 -6.263 -2.080 1.00 53.55 C ATOM 151 O LYS A 12 10.885 -6.339 -1.814 1.00 32.24 O ATOM 152 CB LYS A 12 9.927 -5.431 -4.426 1.00 52.53 C ATOM 153 CG LYS A 12 9.451 -6.618 -5.245 1.00 32.43 C ATOM 154 CD LYS A 12 9.369 -6.277 -6.724 1.00 24.40 C ATOM 155 CE LYS A 12 10.738 -6.322 -7.384 1.00 51.01 C ATOM 156 NZ LYS A 12 10.821 -5.401 -8.551 1.00 13.21 N ATOM 0 H LYS A 12 9.693 -3.235 -3.302 1.00 74.13 H new ATOM 0 HA LYS A 12 8.114 -5.442 -3.272 1.00 65.11 H new ATOM 0 HB2 LYS A 12 9.817 -4.523 -5.019 1.00 52.53 H new ATOM 0 HB3 LYS A 12 10.990 -5.548 -4.216 1.00 52.53 H new ATOM 0 HG2 LYS A 12 10.132 -7.457 -5.101 1.00 32.43 H new ATOM 0 HG3 LYS A 12 8.471 -6.938 -4.889 1.00 32.43 H new ATOM 0 HD2 LYS A 12 8.700 -6.978 -7.223 1.00 24.40 H new ATOM 0 HD3 LYS A 12 8.938 -5.283 -6.846 1.00 24.40 H new ATOM 0 HE2 LYS A 12 11.502 -6.054 -6.654 1.00 51.01 H new ATOM 0 HE3 LYS A 12 10.951 -7.340 -7.709 1.00 51.01 H new ATOM 0 HZ1 LYS A 12 11.769 -5.461 -8.974 1.00 13.21 H new ATOM 0 HZ2 LYS A 12 10.109 -5.672 -9.259 1.00 13.21 H new ATOM 0 HZ3 LYS A 12 10.643 -4.426 -8.237 1.00 13.21 H new ATOM 166 N GLY A 13 8.767 -7.036 -1.506 1.00 54.33 N ATOM 167 CA GLY A 13 9.147 -8.028 -0.517 1.00 60.51 C ATOM 168 C GLY A 13 8.975 -7.526 0.903 1.00 34.12 C ATOM 169 O GLY A 13 9.710 -7.931 1.804 1.00 11.32 O ATOM 0 H GLY A 13 7.768 -6.993 -1.708 1.00 54.33 H new ATOM 0 HA2 GLY A 13 8.545 -8.926 -0.657 1.00 60.51 H new ATOM 0 HA3 GLY A 13 10.187 -8.314 -0.675 1.00 60.51 H new ATOM 173 N ASP A 14 8.005 -6.642 1.103 1.00 41.42 N ATOM 174 CA ASP A 14 7.741 -6.082 2.424 1.00 62.32 C ATOM 175 C ASP A 14 6.283 -6.295 2.822 1.00 75.22 C ATOM 176 O ASP A 14 5.397 -6.338 1.969 1.00 3.33 O ATOM 177 CB ASP A 14 8.075 -4.591 2.447 1.00 15.23 C ATOM 178 CG ASP A 14 8.593 -4.134 3.796 1.00 40.11 C ATOM 179 OD1 ASP A 14 9.254 -4.942 4.482 1.00 52.34 O ATOM 180 OD2 ASP A 14 8.337 -2.970 4.168 1.00 4.33 O ATOM 0 H ASP A 14 7.388 -6.297 0.368 1.00 41.42 H new ATOM 0 HA ASP A 14 8.376 -6.599 3.144 1.00 62.32 H new ATOM 0 HB2 ASP A 14 8.822 -4.377 1.683 1.00 15.23 H new ATOM 0 HB3 ASP A 14 7.184 -4.018 2.190 1.00 15.23 H new ATOM 184 N ILE A 15 6.043 -6.429 4.122 1.00 34.14 N ATOM 185 CA ILE A 15 4.694 -6.637 4.632 1.00 5.11 C ATOM 186 C ILE A 15 4.130 -5.354 5.233 1.00 1.33 C ATOM 187 O ILE A 15 4.523 -4.940 6.325 1.00 33.13 O ATOM 188 CB ILE A 15 4.660 -7.747 5.699 1.00 35.02 C ATOM 189 CG1 ILE A 15 5.310 -9.023 5.158 1.00 62.43 C ATOM 190 CG2 ILE A 15 3.228 -8.019 6.135 1.00 72.30 C ATOM 191 CD1 ILE A 15 5.536 -10.080 6.216 1.00 24.34 C ATOM 0 H ILE A 15 6.766 -6.397 4.841 1.00 34.14 H new ATOM 0 HA ILE A 15 4.080 -6.940 3.784 1.00 5.11 H new ATOM 0 HB ILE A 15 5.226 -7.413 6.569 1.00 35.02 H new ATOM 0 HG12 ILE A 15 4.680 -9.437 4.371 1.00 62.43 H new ATOM 0 HG13 ILE A 15 6.266 -8.768 4.700 1.00 62.43 H new ATOM 0 HG21 ILE A 15 3.221 -8.806 6.889 1.00 72.30 H new ATOM 0 HG22 ILE A 15 2.797 -7.110 6.554 1.00 72.30 H new ATOM 0 HG23 ILE A 15 2.640 -8.336 5.274 1.00 72.30 H new ATOM 0 HD11 ILE A 15 5.999 -10.956 5.762 1.00 24.34 H new ATOM 0 HD12 ILE A 15 6.191 -9.684 6.992 1.00 24.34 H new ATOM 0 HD13 ILE A 15 4.580 -10.363 6.658 1.00 24.34 H new ATOM 202 N LEU A 16 3.204 -4.728 4.514 1.00 31.33 N ATOM 203 CA LEU A 16 2.583 -3.492 4.976 1.00 2.22 C ATOM 204 C LEU A 16 1.170 -3.751 5.491 1.00 74.53 C ATOM 205 O LEU A 16 0.339 -4.333 4.791 1.00 41.42 O ATOM 206 CB LEU A 16 2.544 -2.463 3.845 1.00 30.44 C ATOM 207 CG LEU A 16 3.680 -2.545 2.824 1.00 64.52 C ATOM 208 CD1 LEU A 16 3.175 -3.119 1.510 1.00 21.41 C ATOM 209 CD2 LEU A 16 4.301 -1.173 2.606 1.00 75.35 C ATOM 0 H LEU A 16 2.867 -5.056 3.609 1.00 31.33 H new ATOM 0 HA LEU A 16 3.183 -3.099 5.797 1.00 2.22 H new ATOM 0 HB2 LEU A 16 1.598 -2.571 3.315 1.00 30.44 H new ATOM 0 HB3 LEU A 16 2.550 -1.467 4.287 1.00 30.44 H new ATOM 0 HG LEU A 16 4.449 -3.211 3.216 1.00 64.52 H new ATOM 0 HD11 LEU A 16 3.997 -3.170 0.796 1.00 21.41 H new ATOM 0 HD12 LEU A 16 2.778 -4.120 1.679 1.00 21.41 H new ATOM 0 HD13 LEU A 16 2.387 -2.479 1.112 1.00 21.41 H new ATOM 0 HD21 LEU A 16 5.107 -1.250 1.877 1.00 75.35 H new ATOM 0 HD22 LEU A 16 3.541 -0.485 2.236 1.00 75.35 H new ATOM 0 HD23 LEU A 16 4.700 -0.800 3.549 1.00 75.35 H new ATOM 220 N THR A 17 0.903 -3.316 6.718 1.00 13.23 N ATOM 221 CA THR A 17 -0.408 -3.499 7.326 1.00 71.10 C ATOM 222 C THR A 17 -1.523 -3.236 6.320 1.00 34.22 C ATOM 223 O THR A 17 -1.579 -2.170 5.705 1.00 71.22 O ATOM 224 CB THR A 17 -0.599 -2.572 8.541 1.00 12.00 C ATOM 225 OG1 THR A 17 0.314 -2.935 9.583 1.00 62.10 O ATOM 226 CG2 THR A 17 -2.027 -2.649 9.062 1.00 13.44 C ATOM 0 H THR A 17 1.579 -2.834 7.311 1.00 13.23 H new ATOM 0 HA THR A 17 -0.459 -4.536 7.658 1.00 71.10 H new ATOM 0 HB THR A 17 -0.399 -1.549 8.224 1.00 12.00 H new ATOM 0 HG1 THR A 17 0.187 -2.340 10.351 1.00 62.10 H new ATOM 0 HG21 THR A 17 -2.138 -1.986 9.920 1.00 13.44 H new ATOM 0 HG22 THR A 17 -2.718 -2.344 8.276 1.00 13.44 H new ATOM 0 HG23 THR A 17 -2.250 -3.673 9.364 1.00 13.44 H new ATOM 234 N LEU A 18 -2.408 -4.212 6.156 1.00 62.44 N ATOM 235 CA LEU A 18 -3.523 -4.085 5.224 1.00 64.11 C ATOM 236 C LEU A 18 -4.521 -3.038 5.708 1.00 41.03 C ATOM 237 O LEU A 18 -5.633 -3.368 6.124 1.00 22.41 O ATOM 238 CB LEU A 18 -4.226 -5.433 5.051 1.00 74.15 C ATOM 239 CG LEU A 18 -5.201 -5.537 3.878 1.00 14.21 C ATOM 240 CD1 LEU A 18 -6.634 -5.370 4.359 1.00 33.53 C ATOM 241 CD2 LEU A 18 -4.869 -4.498 2.816 1.00 30.03 C ATOM 0 H LEU A 18 -2.376 -5.100 6.656 1.00 62.44 H new ATOM 0 HA LEU A 18 -3.124 -3.764 4.262 1.00 64.11 H new ATOM 0 HB2 LEU A 18 -3.465 -6.204 4.934 1.00 74.15 H new ATOM 0 HB3 LEU A 18 -4.769 -5.657 5.969 1.00 74.15 H new ATOM 0 HG LEU A 18 -5.101 -6.527 3.434 1.00 14.21 H new ATOM 0 HD11 LEU A 18 -7.314 -5.447 3.511 1.00 33.53 H new ATOM 0 HD12 LEU A 18 -6.868 -6.150 5.083 1.00 33.53 H new ATOM 0 HD13 LEU A 18 -6.749 -4.393 4.828 1.00 33.53 H new ATOM 0 HD21 LEU A 18 -5.573 -4.586 1.988 1.00 30.03 H new ATOM 0 HD22 LEU A 18 -4.940 -3.500 3.248 1.00 30.03 H new ATOM 0 HD23 LEU A 18 -3.856 -4.663 2.450 1.00 30.03 H new ATOM 252 N LEU A 19 -4.118 -1.773 5.651 1.00 21.24 N ATOM 253 CA LEU A 19 -4.978 -0.676 6.080 1.00 62.43 C ATOM 254 C LEU A 19 -6.303 -0.692 5.324 1.00 73.32 C ATOM 255 O LEU A 19 -6.555 -1.583 4.514 1.00 33.02 O ATOM 256 CB LEU A 19 -4.273 0.665 5.868 1.00 33.53 C ATOM 257 CG LEU A 19 -3.507 1.219 7.069 1.00 75.44 C ATOM 258 CD1 LEU A 19 -2.607 0.148 7.668 1.00 40.34 C ATOM 259 CD2 LEU A 19 -2.692 2.439 6.666 1.00 34.51 C ATOM 0 H LEU A 19 -3.201 -1.482 5.312 1.00 21.24 H new ATOM 0 HA LEU A 19 -5.186 -0.806 7.142 1.00 62.43 H new ATOM 0 HB2 LEU A 19 -3.577 0.559 5.036 1.00 33.53 H new ATOM 0 HB3 LEU A 19 -5.019 1.401 5.567 1.00 33.53 H new ATOM 0 HG LEU A 19 -4.229 1.524 7.827 1.00 75.44 H new ATOM 0 HD11 LEU A 19 -2.069 0.560 8.522 1.00 40.34 H new ATOM 0 HD12 LEU A 19 -3.214 -0.696 7.995 1.00 40.34 H new ATOM 0 HD13 LEU A 19 -1.892 -0.188 6.917 1.00 40.34 H new ATOM 0 HD21 LEU A 19 -2.153 2.820 7.534 1.00 34.51 H new ATOM 0 HD22 LEU A 19 -1.979 2.160 5.890 1.00 34.51 H new ATOM 0 HD23 LEU A 19 -3.359 3.212 6.285 1.00 34.51 H new ATOM 270 N ASN A 20 -7.144 0.300 5.593 1.00 44.02 N ATOM 271 CA ASN A 20 -8.443 0.400 4.936 1.00 61.30 C ATOM 272 C ASN A 20 -8.322 0.106 3.444 1.00 41.24 C ATOM 273 O ASN A 20 -7.802 0.921 2.681 1.00 24.52 O ATOM 274 CB ASN A 20 -9.037 1.794 5.146 1.00 4.11 C ATOM 275 CG ASN A 20 -10.366 1.752 5.879 1.00 55.45 C ATOM 276 OD1 ASN A 20 -10.408 1.762 7.109 1.00 23.02 O ATOM 277 ND2 ASN A 20 -11.456 1.704 5.124 1.00 32.53 N ATOM 0 H ASN A 20 -6.950 1.046 6.261 1.00 44.02 H new ATOM 0 HA ASN A 20 -9.106 -0.342 5.381 1.00 61.30 H new ATOM 0 HB2 ASN A 20 -8.333 2.405 5.711 1.00 4.11 H new ATOM 0 HB3 ASN A 20 -9.174 2.277 4.179 1.00 4.11 H new ATOM 0 HD21 ASN A 20 -12.378 1.674 5.560 1.00 32.53 H new ATOM 0 HD22 ASN A 20 -11.372 1.698 4.107 1.00 32.53 H new ATOM 283 N SER A 21 -8.805 -1.063 3.036 1.00 51.21 N ATOM 284 CA SER A 21 -8.748 -1.466 1.635 1.00 43.33 C ATOM 285 C SER A 21 -10.055 -1.136 0.922 1.00 3.43 C ATOM 286 O SER A 21 -10.322 -1.631 -0.174 1.00 53.11 O ATOM 287 CB SER A 21 -8.459 -2.964 1.526 1.00 31.14 C ATOM 288 OG SER A 21 -9.589 -3.731 1.904 1.00 62.33 O ATOM 0 H SER A 21 -9.240 -1.747 3.655 1.00 51.21 H new ATOM 0 HA SER A 21 -7.942 -0.911 1.155 1.00 43.33 H new ATOM 0 HB2 SER A 21 -8.175 -3.209 0.503 1.00 31.14 H new ATOM 0 HB3 SER A 21 -7.612 -3.221 2.162 1.00 31.14 H new ATOM 0 HG SER A 21 -9.379 -4.685 1.824 1.00 62.33 H new ATOM 293 N THR A 22 -10.869 -0.294 1.551 1.00 5.44 N ATOM 294 CA THR A 22 -12.149 0.103 0.978 1.00 4.13 C ATOM 295 C THR A 22 -12.071 0.181 -0.542 1.00 4.32 C ATOM 296 O THR A 22 -12.832 -0.481 -1.247 1.00 40.42 O ATOM 297 CB THR A 22 -12.612 1.466 1.527 1.00 65.24 C ATOM 298 OG1 THR A 22 -13.711 1.960 0.751 1.00 74.14 O ATOM 299 CG2 THR A 22 -11.474 2.475 1.503 1.00 33.50 C ATOM 0 H THR A 22 -10.664 0.126 2.458 1.00 5.44 H new ATOM 0 HA THR A 22 -12.873 -0.661 1.263 1.00 4.13 H new ATOM 0 HB THR A 22 -12.931 1.327 2.560 1.00 65.24 H new ATOM 0 HG1 THR A 22 -14.000 2.826 1.108 1.00 74.14 H new ATOM 0 HG21 THR A 22 -11.826 3.429 1.895 1.00 33.50 H new ATOM 0 HG22 THR A 22 -10.652 2.110 2.118 1.00 33.50 H new ATOM 0 HG23 THR A 22 -11.128 2.609 0.478 1.00 33.50 H new ATOM 307 N ASN A 23 -11.147 0.994 -1.041 1.00 14.02 N ATOM 308 CA ASN A 23 -10.969 1.158 -2.480 1.00 42.00 C ATOM 309 C ASN A 23 -10.583 -0.165 -3.134 1.00 11.25 C ATOM 310 O ASN A 23 -9.987 -1.035 -2.499 1.00 22.42 O ATOM 311 CB ASN A 23 -9.898 2.212 -2.766 1.00 50.10 C ATOM 312 CG ASN A 23 -10.487 3.508 -3.289 1.00 63.33 C ATOM 313 OD1 ASN A 23 -9.998 3.959 -4.438 1.00 62.01 O flip ATOM 314 ND2 ASN A 23 -11.373 4.095 -2.668 1.00 3.21 N flip ATOM 0 H ASN A 23 -10.509 1.550 -0.471 1.00 14.02 H new ATOM 0 HA ASN A 23 -11.917 1.490 -2.903 1.00 42.00 H new ATOM 0 HB2 ASN A 23 -9.337 2.413 -1.853 1.00 50.10 H new ATOM 0 HB3 ASN A 23 -9.190 1.818 -3.495 1.00 50.10 H new ATOM 0 HD21 ASN A 23 -11.719 3.712 -1.788 1.00 3.21 H new ATOM 0 HD22 ASN A 23 -11.761 4.965 -3.033 1.00 3.21 H new ATOM 320 N LYS A 24 -10.926 -0.310 -4.410 1.00 2.45 N ATOM 321 CA LYS A 24 -10.615 -1.525 -5.154 1.00 60.03 C ATOM 322 C LYS A 24 -9.293 -1.382 -5.902 1.00 4.14 C ATOM 323 O LYS A 24 -8.392 -2.207 -5.753 1.00 40.53 O ATOM 324 CB LYS A 24 -11.740 -1.847 -6.140 1.00 53.43 C ATOM 325 CG LYS A 24 -12.652 -2.969 -5.677 1.00 22.11 C ATOM 326 CD LYS A 24 -13.265 -3.710 -6.853 1.00 64.21 C ATOM 327 CE LYS A 24 -12.847 -5.172 -6.870 1.00 53.04 C ATOM 328 NZ LYS A 24 -13.963 -6.064 -7.289 1.00 24.21 N ATOM 0 H LYS A 24 -11.420 0.400 -4.951 1.00 2.45 H new ATOM 0 HA LYS A 24 -10.521 -2.344 -4.440 1.00 60.03 H new ATOM 0 HB2 LYS A 24 -12.336 -0.949 -6.303 1.00 53.43 H new ATOM 0 HB3 LYS A 24 -11.303 -2.119 -7.101 1.00 53.43 H new ATOM 0 HG2 LYS A 24 -12.087 -3.668 -5.060 1.00 22.11 H new ATOM 0 HG3 LYS A 24 -13.445 -2.560 -5.050 1.00 22.11 H new ATOM 0 HD2 LYS A 24 -14.352 -3.642 -6.801 1.00 64.21 H new ATOM 0 HD3 LYS A 24 -12.960 -3.232 -7.784 1.00 64.21 H new ATOM 0 HE2 LYS A 24 -12.005 -5.301 -7.550 1.00 53.04 H new ATOM 0 HE3 LYS A 24 -12.503 -5.463 -5.877 1.00 53.04 H new ATOM 0 HZ1 LYS A 24 -13.637 -7.052 -7.288 1.00 24.21 H new ATOM 0 HZ2 LYS A 24 -14.758 -5.961 -6.626 1.00 24.21 H new ATOM 0 HZ3 LYS A 24 -14.275 -5.804 -8.246 1.00 24.21 H new ATOM 338 N ASP A 25 -9.185 -0.330 -6.706 1.00 44.30 N ATOM 339 CA ASP A 25 -7.973 -0.076 -7.476 1.00 24.52 C ATOM 340 C ASP A 25 -6.879 0.511 -6.590 1.00 73.14 C ATOM 341 O ASP A 25 -5.771 0.781 -7.052 1.00 11.13 O ATOM 342 CB ASP A 25 -8.270 0.873 -8.638 1.00 3.21 C ATOM 343 CG ASP A 25 -9.457 0.421 -9.466 1.00 33.30 C ATOM 344 OD1 ASP A 25 -9.421 -0.714 -9.984 1.00 74.32 O ATOM 345 OD2 ASP A 25 -10.421 1.203 -9.596 1.00 45.42 O ATOM 0 H ASP A 25 -9.923 0.361 -6.842 1.00 44.30 H new ATOM 0 HA ASP A 25 -7.621 -1.027 -7.875 1.00 24.52 H new ATOM 0 HB2 ASP A 25 -8.463 1.872 -8.247 1.00 3.21 H new ATOM 0 HB3 ASP A 25 -7.391 0.945 -9.278 1.00 3.21 H new ATOM 349 N TRP A 26 -7.199 0.705 -5.316 1.00 51.25 N ATOM 350 CA TRP A 26 -6.242 1.261 -4.365 1.00 45.03 C ATOM 351 C TRP A 26 -6.482 0.707 -2.964 1.00 32.24 C ATOM 352 O TRP A 26 -7.567 0.863 -2.403 1.00 62.42 O ATOM 353 CB TRP A 26 -6.340 2.787 -4.346 1.00 5.34 C ATOM 354 CG TRP A 26 -5.839 3.430 -5.604 1.00 5.42 C ATOM 355 CD1 TRP A 26 -6.521 3.573 -6.779 1.00 71.41 C ATOM 356 CD2 TRP A 26 -4.549 4.015 -5.814 1.00 40.04 C ATOM 357 NE1 TRP A 26 -5.732 4.210 -7.706 1.00 43.34 N ATOM 358 CE2 TRP A 26 -4.519 4.493 -7.138 1.00 55.24 C ATOM 359 CE3 TRP A 26 -3.418 4.182 -5.010 1.00 44.30 C ATOM 360 CZ2 TRP A 26 -3.401 5.126 -7.675 1.00 53.05 C ATOM 361 CZ3 TRP A 26 -2.310 4.811 -5.544 1.00 15.33 C ATOM 362 CH2 TRP A 26 -2.307 5.277 -6.866 1.00 23.15 C ATOM 0 H TRP A 26 -8.112 0.486 -4.917 1.00 51.25 H new ATOM 0 HA TRP A 26 -5.241 0.971 -4.684 1.00 45.03 H new ATOM 0 HB2 TRP A 26 -7.379 3.075 -4.188 1.00 5.34 H new ATOM 0 HB3 TRP A 26 -5.771 3.170 -3.499 1.00 5.34 H new ATOM 0 HD1 TRP A 26 -7.532 3.235 -6.954 1.00 71.41 H new ATOM 0 HE1 TRP A 26 -6.006 4.435 -8.662 1.00 43.34 H new ATOM 0 HE3 TRP A 26 -3.410 3.826 -3.990 1.00 44.30 H new ATOM 0 HZ2 TRP A 26 -3.397 5.485 -8.694 1.00 53.05 H new ATOM 0 HZ3 TRP A 26 -1.430 4.946 -4.932 1.00 15.33 H new ATOM 0 HH2 TRP A 26 -1.425 5.764 -7.254 1.00 23.15 H new ATOM 372 N TRP A 27 -5.465 0.062 -2.406 1.00 31.22 N ATOM 373 CA TRP A 27 -5.566 -0.515 -1.071 1.00 65.11 C ATOM 374 C TRP A 27 -4.666 0.225 -0.088 1.00 2.01 C ATOM 375 O TRP A 27 -3.441 0.207 -0.216 1.00 32.44 O ATOM 376 CB TRP A 27 -5.194 -1.999 -1.104 1.00 4.33 C ATOM 377 CG TRP A 27 -6.379 -2.904 -1.257 1.00 71.10 C ATOM 378 CD1 TRP A 27 -7.632 -2.552 -1.672 1.00 31.50 C ATOM 379 CD2 TRP A 27 -6.421 -4.312 -0.995 1.00 41.41 C ATOM 380 NE1 TRP A 27 -8.451 -3.656 -1.683 1.00 13.23 N ATOM 381 CE2 TRP A 27 -7.732 -4.747 -1.273 1.00 32.20 C ATOM 382 CE3 TRP A 27 -5.480 -5.245 -0.554 1.00 51.15 C ATOM 383 CZ2 TRP A 27 -8.121 -6.076 -1.123 1.00 34.10 C ATOM 384 CZ3 TRP A 27 -5.869 -6.563 -0.405 1.00 13.20 C ATOM 385 CH2 TRP A 27 -7.179 -6.969 -0.690 1.00 52.15 C ATOM 0 H TRP A 27 -4.561 -0.075 -2.857 1.00 31.22 H new ATOM 0 HA TRP A 27 -6.598 -0.414 -0.737 1.00 65.11 H new ATOM 0 HB2 TRP A 27 -4.502 -2.175 -1.928 1.00 4.33 H new ATOM 0 HB3 TRP A 27 -4.666 -2.255 -0.185 1.00 4.33 H new ATOM 0 HD1 TRP A 27 -7.935 -1.553 -1.950 1.00 31.50 H new ATOM 0 HE1 TRP A 27 -9.435 -3.662 -1.953 1.00 13.23 H new ATOM 0 HE3 TRP A 27 -4.467 -4.942 -0.333 1.00 51.15 H new ATOM 0 HZ2 TRP A 27 -9.131 -6.391 -1.341 1.00 34.10 H new ATOM 0 HZ3 TRP A 27 -5.150 -7.293 -0.063 1.00 13.20 H new ATOM 0 HH2 TRP A 27 -7.451 -8.007 -0.566 1.00 52.15 H new ATOM 395 N LYS A 28 -5.279 0.876 0.894 1.00 41.30 N ATOM 396 CA LYS A 28 -4.533 1.623 1.901 1.00 41.11 C ATOM 397 C LYS A 28 -3.613 0.698 2.692 1.00 3.20 C ATOM 398 O LYS A 28 -4.026 -0.375 3.133 1.00 51.52 O ATOM 399 CB LYS A 28 -5.495 2.340 2.851 1.00 73.41 C ATOM 400 CG LYS A 28 -4.896 3.571 3.508 1.00 73.33 C ATOM 401 CD LYS A 28 -5.753 4.058 4.664 1.00 55.45 C ATOM 402 CE LYS A 28 -5.355 5.461 5.101 1.00 33.44 C ATOM 403 NZ LYS A 28 -6.416 6.109 5.921 1.00 34.44 N ATOM 0 H LYS A 28 -6.292 0.902 1.015 1.00 41.30 H new ATOM 0 HA LYS A 28 -3.920 2.365 1.389 1.00 41.11 H new ATOM 0 HB2 LYS A 28 -6.388 2.632 2.298 1.00 73.41 H new ATOM 0 HB3 LYS A 28 -5.813 1.643 3.626 1.00 73.41 H new ATOM 0 HG2 LYS A 28 -3.894 3.341 3.869 1.00 73.33 H new ATOM 0 HG3 LYS A 28 -4.794 4.366 2.769 1.00 73.33 H new ATOM 0 HD2 LYS A 28 -6.802 4.052 4.368 1.00 55.45 H new ATOM 0 HD3 LYS A 28 -5.655 3.372 5.505 1.00 55.45 H new ATOM 0 HE2 LYS A 28 -4.430 5.414 5.676 1.00 33.44 H new ATOM 0 HE3 LYS A 28 -5.152 6.072 4.221 1.00 33.44 H new ATOM 0 HZ1 LYS A 28 -6.107 7.062 6.199 1.00 34.44 H new ATOM 0 HZ2 LYS A 28 -7.292 6.178 5.364 1.00 34.44 H new ATOM 0 HZ3 LYS A 28 -6.592 5.540 6.774 1.00 34.44 H new ATOM 413 N VAL A 29 -2.366 1.122 2.871 1.00 11.21 N ATOM 414 CA VAL A 29 -1.390 0.334 3.612 1.00 53.34 C ATOM 415 C VAL A 29 -0.441 1.232 4.399 1.00 11.35 C ATOM 416 O VAL A 29 -0.011 2.276 3.909 1.00 62.22 O ATOM 417 CB VAL A 29 -0.565 -0.566 2.672 1.00 63.34 C ATOM 418 CG1 VAL A 29 -1.482 -1.380 1.771 1.00 43.15 C ATOM 419 CG2 VAL A 29 0.402 0.269 1.847 1.00 61.24 C ATOM 0 H VAL A 29 -2.008 2.007 2.512 1.00 11.21 H new ATOM 0 HA VAL A 29 -1.951 -0.293 4.305 1.00 53.34 H new ATOM 0 HB VAL A 29 0.017 -1.259 3.280 1.00 63.34 H new ATOM 0 HG11 VAL A 29 -0.882 -2.009 1.114 1.00 43.15 H new ATOM 0 HG12 VAL A 29 -2.130 -2.008 2.383 1.00 43.15 H new ATOM 0 HG13 VAL A 29 -2.093 -0.707 1.170 1.00 43.15 H new ATOM 0 HG21 VAL A 29 0.976 -0.383 1.189 1.00 61.24 H new ATOM 0 HG22 VAL A 29 -0.157 0.987 1.248 1.00 61.24 H new ATOM 0 HG23 VAL A 29 1.081 0.802 2.512 1.00 61.24 H new ATOM 429 N GLU A 30 -0.119 0.817 5.619 1.00 43.55 N ATOM 430 CA GLU A 30 0.780 1.586 6.474 1.00 23.05 C ATOM 431 C GLU A 30 2.219 1.103 6.323 1.00 52.54 C ATOM 432 O GLU A 30 2.465 -0.043 5.950 1.00 72.51 O ATOM 433 CB GLU A 30 0.344 1.478 7.937 1.00 61.23 C ATOM 434 CG GLU A 30 1.403 1.941 8.923 1.00 12.22 C ATOM 435 CD GLU A 30 1.077 1.557 10.353 1.00 71.24 C ATOM 436 OE1 GLU A 30 0.471 0.483 10.555 1.00 13.34 O ATOM 437 OE2 GLU A 30 1.427 2.328 11.271 1.00 31.43 O ATOM 0 H GLU A 30 -0.466 -0.046 6.038 1.00 43.55 H new ATOM 0 HA GLU A 30 0.731 2.630 6.164 1.00 23.05 H new ATOM 0 HB2 GLU A 30 -0.560 2.070 8.083 1.00 61.23 H new ATOM 0 HB3 GLU A 30 0.085 0.442 8.155 1.00 61.23 H new ATOM 0 HG2 GLU A 30 2.365 1.510 8.646 1.00 12.22 H new ATOM 0 HG3 GLU A 30 1.507 3.024 8.856 1.00 12.22 H new ATOM 442 N VAL A 31 3.168 1.987 6.617 1.00 4.43 N ATOM 443 CA VAL A 31 4.583 1.653 6.515 1.00 32.32 C ATOM 444 C VAL A 31 5.342 2.089 7.763 1.00 62.02 C ATOM 445 O VAL A 31 6.064 3.084 7.746 1.00 43.21 O ATOM 446 CB VAL A 31 5.227 2.309 5.280 1.00 72.30 C ATOM 447 CG1 VAL A 31 6.739 2.138 5.311 1.00 45.34 C ATOM 448 CG2 VAL A 31 4.644 1.727 4.002 1.00 2.05 C ATOM 0 H VAL A 31 2.981 2.940 6.928 1.00 4.43 H new ATOM 0 HA VAL A 31 4.646 0.569 6.415 1.00 32.32 H new ATOM 0 HB VAL A 31 5.005 3.376 5.301 1.00 72.30 H new ATOM 0 HG11 VAL A 31 7.176 2.608 4.430 1.00 45.34 H new ATOM 0 HG12 VAL A 31 7.140 2.607 6.210 1.00 45.34 H new ATOM 0 HG13 VAL A 31 6.985 1.076 5.316 1.00 45.34 H new ATOM 0 HG21 VAL A 31 5.111 2.203 3.140 1.00 2.05 H new ATOM 0 HG22 VAL A 31 4.833 0.654 3.971 1.00 2.05 H new ATOM 0 HG23 VAL A 31 3.569 1.907 3.978 1.00 2.05 H new ATOM 458 N ASN A 32 5.173 1.335 8.845 1.00 42.03 N ATOM 459 CA ASN A 32 5.842 1.645 10.103 1.00 32.41 C ATOM 460 C ASN A 32 5.258 2.903 10.736 1.00 22.45 C ATOM 461 O ASN A 32 4.558 2.835 11.747 1.00 31.21 O ATOM 462 CB ASN A 32 7.344 1.825 9.874 1.00 42.44 C ATOM 463 CG ASN A 32 7.942 0.708 9.040 1.00 25.11 C ATOM 464 OD1 ASN A 32 8.077 0.948 7.742 1.00 13.02 O flip ATOM 465 ND2 ASN A 32 8.276 -0.357 9.558 1.00 13.42 N flip ATOM 0 H ASN A 32 4.579 0.506 8.876 1.00 42.03 H new ATOM 0 HA ASN A 32 5.682 0.810 10.786 1.00 32.41 H new ATOM 0 HB2 ASN A 32 7.521 2.779 9.378 1.00 42.44 H new ATOM 0 HB3 ASN A 32 7.853 1.867 10.837 1.00 42.44 H new ATOM 0 HD21 ASN A 32 8.153 -0.497 10.561 1.00 13.42 H new ATOM 0 HD22 ASN A 32 8.675 -1.100 8.984 1.00 13.42 H new ATOM 471 N ASP A 33 5.548 4.051 10.133 1.00 62.03 N ATOM 472 CA ASP A 33 5.049 5.326 10.637 1.00 33.15 C ATOM 473 C ASP A 33 4.351 6.111 9.530 1.00 25.43 C ATOM 474 O ASP A 33 3.563 7.017 9.801 1.00 32.12 O ATOM 475 CB ASP A 33 6.197 6.152 11.217 1.00 41.52 C ATOM 476 CG ASP A 33 5.740 7.075 12.330 1.00 41.04 C ATOM 477 OD1 ASP A 33 4.632 7.637 12.217 1.00 1.34 O ATOM 478 OD2 ASP A 33 6.493 7.235 13.315 1.00 65.13 O ATOM 0 H ASP A 33 6.125 4.125 9.295 1.00 62.03 H new ATOM 0 HA ASP A 33 4.325 5.120 11.425 1.00 33.15 H new ATOM 0 HB2 ASP A 33 6.967 5.481 11.598 1.00 41.52 H new ATOM 0 HB3 ASP A 33 6.653 6.743 10.423 1.00 41.52 H new ATOM 482 N ARG A 34 4.645 5.756 8.283 1.00 60.31 N ATOM 483 CA ARG A 34 4.047 6.429 7.137 1.00 30.22 C ATOM 484 C ARG A 34 2.957 5.565 6.508 1.00 24.41 C ATOM 485 O ARG A 34 3.213 4.442 6.075 1.00 50.42 O ATOM 486 CB ARG A 34 5.117 6.755 6.094 1.00 32.25 C ATOM 487 CG ARG A 34 6.478 7.068 6.695 1.00 64.52 C ATOM 488 CD ARG A 34 7.589 6.914 5.669 1.00 51.44 C ATOM 489 NE ARG A 34 8.283 8.174 5.421 1.00 14.43 N ATOM 490 CZ ARG A 34 9.250 8.317 4.520 1.00 43.33 C ATOM 491 NH1 ARG A 34 9.634 7.282 3.787 1.00 32.54 N ATOM 492 NH2 ARG A 34 9.834 9.497 4.354 1.00 20.43 N ATOM 0 H ARG A 34 5.293 5.007 8.041 1.00 60.31 H new ATOM 0 HA ARG A 34 3.596 7.357 7.488 1.00 30.22 H new ATOM 0 HB2 ARG A 34 5.216 5.911 5.411 1.00 32.25 H new ATOM 0 HB3 ARG A 34 4.786 7.608 5.501 1.00 32.25 H new ATOM 0 HG2 ARG A 34 6.479 8.086 7.084 1.00 64.52 H new ATOM 0 HG3 ARG A 34 6.666 6.404 7.539 1.00 64.52 H new ATOM 0 HD2 ARG A 34 8.304 6.169 6.018 1.00 51.44 H new ATOM 0 HD3 ARG A 34 7.170 6.541 4.734 1.00 51.44 H new ATOM 0 HE ARG A 34 8.011 8.990 5.969 1.00 14.43 H new ATOM 0 HH11 ARG A 34 9.187 6.374 3.914 1.00 32.54 H new ATOM 0 HH12 ARG A 34 10.376 7.394 3.096 1.00 32.54 H new ATOM 0 HH21 ARG A 34 9.541 10.295 4.918 1.00 20.43 H new ATOM 0 HH22 ARG A 34 10.576 9.606 3.663 1.00 20.43 H new ATOM 503 N GLN A 35 1.739 6.098 6.463 1.00 71.00 N ATOM 504 CA GLN A 35 0.611 5.375 5.889 1.00 42.34 C ATOM 505 C GLN A 35 -0.070 6.203 4.803 1.00 51.25 C ATOM 506 O GLN A 35 -0.111 7.430 4.878 1.00 60.41 O ATOM 507 CB GLN A 35 -0.399 5.015 6.980 1.00 21.11 C ATOM 508 CG GLN A 35 0.015 5.477 8.368 1.00 64.20 C ATOM 509 CD GLN A 35 -1.081 5.281 9.398 1.00 4.43 C ATOM 510 OE1 GLN A 35 -1.011 4.377 10.232 1.00 4.43 O ATOM 511 NE2 GLN A 35 -2.101 6.130 9.346 1.00 63.14 N ATOM 0 H GLN A 35 1.509 7.027 6.817 1.00 71.00 H new ATOM 0 HA GLN A 35 0.991 4.458 5.438 1.00 42.34 H new ATOM 0 HB2 GLN A 35 -1.363 5.458 6.731 1.00 21.11 H new ATOM 0 HB3 GLN A 35 -0.538 3.934 6.992 1.00 21.11 H new ATOM 0 HG2 GLN A 35 0.904 4.928 8.680 1.00 64.20 H new ATOM 0 HG3 GLN A 35 0.288 6.531 8.330 1.00 64.20 H new ATOM 0 HE21 GLN A 35 -2.118 6.864 8.638 1.00 63.14 H new ATOM 0 HE22 GLN A 35 -2.867 6.048 10.014 1.00 63.14 H new ATOM 518 N GLY A 36 -0.603 5.521 3.794 1.00 23.20 N ATOM 519 CA GLY A 36 -1.274 6.209 2.707 1.00 43.11 C ATOM 520 C GLY A 36 -1.933 5.252 1.734 1.00 3.44 C ATOM 521 O GLY A 36 -1.882 4.036 1.917 1.00 2.41 O ATOM 0 H GLY A 36 -0.582 4.505 3.710 1.00 23.20 H new ATOM 0 HA2 GLY A 36 -2.028 6.881 3.117 1.00 43.11 H new ATOM 0 HA3 GLY A 36 -0.553 6.827 2.172 1.00 43.11 H new ATOM 525 N PHE A 37 -2.556 5.802 0.695 1.00 52.34 N ATOM 526 CA PHE A 37 -3.231 4.988 -0.309 1.00 52.22 C ATOM 527 C PHE A 37 -2.241 4.487 -1.357 1.00 53.14 C ATOM 528 O PHE A 37 -1.390 5.238 -1.833 1.00 71.53 O ATOM 529 CB PHE A 37 -4.342 5.793 -0.986 1.00 53.04 C ATOM 530 CG PHE A 37 -5.572 5.947 -0.137 1.00 11.20 C ATOM 531 CD1 PHE A 37 -5.687 7.001 0.755 1.00 71.44 C ATOM 532 CD2 PHE A 37 -6.613 5.038 -0.233 1.00 64.43 C ATOM 533 CE1 PHE A 37 -6.817 7.145 1.536 1.00 65.15 C ATOM 534 CE2 PHE A 37 -7.746 5.178 0.546 1.00 43.11 C ATOM 535 CZ PHE A 37 -7.849 6.232 1.433 1.00 14.15 C ATOM 0 H PHE A 37 -2.607 6.807 0.527 1.00 52.34 H new ATOM 0 HA PHE A 37 -3.670 4.126 0.193 1.00 52.22 H new ATOM 0 HB2 PHE A 37 -3.960 6.781 -1.241 1.00 53.04 H new ATOM 0 HB3 PHE A 37 -4.615 5.305 -1.922 1.00 53.04 H new ATOM 0 HD1 PHE A 37 -4.884 7.718 0.841 1.00 71.44 H new ATOM 0 HD2 PHE A 37 -6.538 4.211 -0.924 1.00 64.43 H new ATOM 0 HE1 PHE A 37 -6.894 7.971 2.227 1.00 65.15 H new ATOM 0 HE2 PHE A 37 -8.551 4.463 0.461 1.00 43.11 H new ATOM 0 HZ PHE A 37 -8.733 6.342 2.044 1.00 14.15 H new ATOM 544 N VAL A 38 -2.358 3.211 -1.710 1.00 31.52 N ATOM 545 CA VAL A 38 -1.476 2.608 -2.701 1.00 71.53 C ATOM 546 C VAL A 38 -2.242 1.657 -3.614 1.00 62.03 C ATOM 547 O VAL A 38 -3.280 1.106 -3.247 1.00 10.12 O ATOM 548 CB VAL A 38 -0.322 1.838 -2.030 1.00 1.32 C ATOM 549 CG1 VAL A 38 0.700 2.806 -1.452 1.00 32.23 C ATOM 550 CG2 VAL A 38 -0.858 0.908 -0.952 1.00 11.13 C ATOM 0 H VAL A 38 -3.056 2.575 -1.324 1.00 31.52 H new ATOM 0 HA VAL A 38 -1.064 3.424 -3.295 1.00 71.53 H new ATOM 0 HB VAL A 38 0.175 1.231 -2.786 1.00 1.32 H new ATOM 0 HG11 VAL A 38 1.508 2.245 -0.982 1.00 32.23 H new ATOM 0 HG12 VAL A 38 1.106 3.426 -2.251 1.00 32.23 H new ATOM 0 HG13 VAL A 38 0.219 3.441 -0.708 1.00 32.23 H new ATOM 0 HG21 VAL A 38 -0.029 0.372 -0.489 1.00 11.13 H new ATOM 0 HG22 VAL A 38 -1.381 1.492 -0.195 1.00 11.13 H new ATOM 0 HG23 VAL A 38 -1.548 0.192 -1.399 1.00 11.13 H new ATOM 560 N PRO A 39 -1.720 1.459 -4.834 1.00 73.42 N ATOM 561 CA PRO A 39 -2.338 0.574 -5.825 1.00 25.52 C ATOM 562 C PRO A 39 -2.235 -0.896 -5.434 1.00 23.51 C ATOM 563 O PRO A 39 -1.140 -1.450 -5.345 1.00 11.23 O ATOM 564 CB PRO A 39 -1.532 0.847 -7.097 1.00 71.42 C ATOM 565 CG PRO A 39 -0.209 1.329 -6.610 1.00 73.34 C ATOM 566 CD PRO A 39 -0.485 2.083 -5.338 1.00 31.25 C ATOM 0 HA PRO A 39 -3.406 0.765 -5.932 1.00 25.52 H new ATOM 0 HB2 PRO A 39 -1.427 -0.055 -7.701 1.00 71.42 H new ATOM 0 HB3 PRO A 39 -2.020 1.594 -7.722 1.00 71.42 H new ATOM 0 HG2 PRO A 39 0.468 0.494 -6.430 1.00 73.34 H new ATOM 0 HG3 PRO A 39 0.268 1.972 -7.349 1.00 73.34 H new ATOM 0 HD2 PRO A 39 0.335 1.984 -4.626 1.00 31.25 H new ATOM 0 HD3 PRO A 39 -0.620 3.149 -5.523 1.00 31.25 H new ATOM 571 N ALA A 40 -3.384 -1.525 -5.202 1.00 55.43 N ATOM 572 CA ALA A 40 -3.421 -2.932 -4.822 1.00 5.11 C ATOM 573 C ALA A 40 -2.634 -3.788 -5.809 1.00 44.23 C ATOM 574 O ALA A 40 -2.193 -4.887 -5.477 1.00 63.54 O ATOM 575 CB ALA A 40 -4.862 -3.416 -4.733 1.00 12.53 C ATOM 0 H ALA A 40 -4.300 -1.082 -5.271 1.00 55.43 H new ATOM 0 HA ALA A 40 -2.954 -3.031 -3.842 1.00 5.11 H new ATOM 0 HB1 ALA A 40 -4.876 -4.468 -4.448 1.00 12.53 H new ATOM 0 HB2 ALA A 40 -5.397 -2.831 -3.985 1.00 12.53 H new ATOM 0 HB3 ALA A 40 -5.347 -3.296 -5.702 1.00 12.53 H new ATOM 581 N ALA A 41 -2.462 -3.276 -7.023 1.00 13.22 N ATOM 582 CA ALA A 41 -1.727 -3.993 -8.057 1.00 14.54 C ATOM 583 C ALA A 41 -0.271 -4.202 -7.651 1.00 11.21 C ATOM 584 O ALA A 41 0.376 -5.151 -8.092 1.00 71.33 O ATOM 585 CB ALA A 41 -1.805 -3.241 -9.378 1.00 72.02 C ATOM 0 H ALA A 41 -2.822 -2.367 -7.314 1.00 13.22 H new ATOM 0 HA ALA A 41 -2.187 -4.973 -8.181 1.00 14.54 H new ATOM 0 HB1 ALA A 41 -1.252 -3.788 -10.141 1.00 72.02 H new ATOM 0 HB2 ALA A 41 -2.847 -3.148 -9.683 1.00 72.02 H new ATOM 0 HB3 ALA A 41 -1.372 -2.248 -9.258 1.00 72.02 H new ATOM 591 N TYR A 42 0.237 -3.309 -6.808 1.00 32.44 N ATOM 592 CA TYR A 42 1.617 -3.395 -6.346 1.00 43.42 C ATOM 593 C TYR A 42 1.717 -4.249 -5.086 1.00 73.22 C ATOM 594 O TYR A 42 2.811 -4.524 -4.592 1.00 52.41 O ATOM 595 CB TYR A 42 2.173 -1.996 -6.072 1.00 30.30 C ATOM 596 CG TYR A 42 2.487 -1.213 -7.327 1.00 43.11 C ATOM 597 CD1 TYR A 42 1.572 -1.138 -8.369 1.00 24.33 C ATOM 598 CD2 TYR A 42 3.699 -0.549 -7.470 1.00 62.23 C ATOM 599 CE1 TYR A 42 1.855 -0.424 -9.518 1.00 64.43 C ATOM 600 CE2 TYR A 42 3.989 0.168 -8.614 1.00 11.11 C ATOM 601 CZ TYR A 42 3.065 0.227 -9.635 1.00 22.33 C ATOM 602 OH TYR A 42 3.351 0.939 -10.777 1.00 2.45 O ATOM 0 H TYR A 42 -0.286 -2.518 -6.431 1.00 32.44 H new ATOM 0 HA TYR A 42 2.208 -3.867 -7.131 1.00 43.42 H new ATOM 0 HB2 TYR A 42 1.451 -1.437 -5.476 1.00 30.30 H new ATOM 0 HB3 TYR A 42 3.079 -2.085 -5.473 1.00 30.30 H new ATOM 0 HD1 TYR A 42 0.623 -1.646 -8.280 1.00 24.33 H new ATOM 0 HD2 TYR A 42 4.427 -0.594 -6.673 1.00 62.23 H new ATOM 0 HE1 TYR A 42 1.133 -0.376 -10.320 1.00 64.43 H new ATOM 0 HE2 TYR A 42 4.935 0.680 -8.708 1.00 11.11 H new ATOM 0 HH TYR A 42 4.243 1.337 -10.699 1.00 2.45 H new ATOM 611 N VAL A 43 0.566 -4.669 -4.570 1.00 20.33 N ATOM 612 CA VAL A 43 0.521 -5.494 -3.369 1.00 52.14 C ATOM 613 C VAL A 43 -0.394 -6.697 -3.563 1.00 65.11 C ATOM 614 O VAL A 43 -0.968 -6.889 -4.635 1.00 32.42 O ATOM 615 CB VAL A 43 0.039 -4.686 -2.151 1.00 43.15 C ATOM 616 CG1 VAL A 43 1.077 -3.648 -1.752 1.00 45.32 C ATOM 617 CG2 VAL A 43 -1.301 -4.027 -2.445 1.00 1.11 C ATOM 0 H VAL A 43 -0.348 -4.451 -4.966 1.00 20.33 H new ATOM 0 HA VAL A 43 1.538 -5.841 -3.185 1.00 52.14 H new ATOM 0 HB VAL A 43 -0.094 -5.371 -1.313 1.00 43.15 H new ATOM 0 HG11 VAL A 43 0.718 -3.087 -0.889 1.00 45.32 H new ATOM 0 HG12 VAL A 43 2.012 -4.147 -1.497 1.00 45.32 H new ATOM 0 HG13 VAL A 43 1.247 -2.965 -2.584 1.00 45.32 H new ATOM 0 HG21 VAL A 43 -1.627 -3.460 -1.573 1.00 1.11 H new ATOM 0 HG22 VAL A 43 -1.197 -3.355 -3.297 1.00 1.11 H new ATOM 0 HG23 VAL A 43 -2.041 -4.794 -2.676 1.00 1.11 H new ATOM 627 N LYS A 44 -0.528 -7.507 -2.517 1.00 1.14 N ATOM 628 CA LYS A 44 -1.375 -8.691 -2.569 1.00 65.50 C ATOM 629 C LYS A 44 -1.555 -9.294 -1.180 1.00 74.13 C ATOM 630 O LYS A 44 -0.592 -9.440 -0.426 1.00 13.05 O ATOM 631 CB LYS A 44 -0.775 -9.733 -3.515 1.00 15.35 C ATOM 632 CG LYS A 44 -1.712 -10.887 -3.825 1.00 70.40 C ATOM 633 CD LYS A 44 -1.167 -11.765 -4.938 1.00 35.12 C ATOM 634 CE LYS A 44 0.207 -12.318 -4.591 1.00 54.54 C ATOM 635 NZ LYS A 44 0.257 -13.801 -4.716 1.00 53.23 N ATOM 0 H LYS A 44 -0.059 -7.363 -1.622 1.00 1.14 H new ATOM 0 HA LYS A 44 -2.353 -8.390 -2.944 1.00 65.50 H new ATOM 0 HB2 LYS A 44 -0.493 -9.245 -4.448 1.00 15.35 H new ATOM 0 HB3 LYS A 44 0.140 -10.128 -3.073 1.00 15.35 H new ATOM 0 HG2 LYS A 44 -1.861 -11.487 -2.927 1.00 70.40 H new ATOM 0 HG3 LYS A 44 -2.688 -10.497 -4.113 1.00 70.40 H new ATOM 0 HD2 LYS A 44 -1.856 -12.589 -5.123 1.00 35.12 H new ATOM 0 HD3 LYS A 44 -1.106 -11.188 -5.861 1.00 35.12 H new ATOM 0 HE2 LYS A 44 0.954 -11.873 -5.248 1.00 54.54 H new ATOM 0 HE3 LYS A 44 0.467 -12.031 -3.572 1.00 54.54 H new ATOM 0 HZ1 LYS A 44 1.210 -14.138 -4.471 1.00 53.23 H new ATOM 0 HZ2 LYS A 44 -0.438 -14.227 -4.070 1.00 53.23 H new ATOM 0 HZ3 LYS A 44 0.034 -14.075 -5.694 1.00 53.23 H new ATOM 645 N LYS A 45 -2.792 -9.646 -0.847 1.00 44.53 N ATOM 646 CA LYS A 45 -3.097 -10.236 0.452 1.00 35.14 C ATOM 647 C LYS A 45 -2.358 -11.558 0.635 1.00 32.54 C ATOM 648 O LYS A 45 -2.271 -12.366 -0.291 1.00 64.10 O ATOM 649 CB LYS A 45 -4.604 -10.458 0.592 1.00 2.03 C ATOM 650 CG LYS A 45 -5.234 -9.661 1.722 1.00 34.40 C ATOM 651 CD LYS A 45 -6.529 -10.298 2.198 1.00 53.12 C ATOM 652 CE LYS A 45 -7.701 -9.338 2.069 1.00 63.43 C ATOM 653 NZ LYS A 45 -8.934 -10.029 1.597 1.00 1.25 N ATOM 0 H LYS A 45 -3.600 -9.533 -1.459 1.00 44.53 H new ATOM 0 HA LYS A 45 -2.765 -9.544 1.226 1.00 35.14 H new ATOM 0 HB2 LYS A 45 -5.091 -10.190 -0.346 1.00 2.03 H new ATOM 0 HB3 LYS A 45 -4.793 -11.519 0.758 1.00 2.03 H new ATOM 0 HG2 LYS A 45 -4.534 -9.592 2.554 1.00 34.40 H new ATOM 0 HG3 LYS A 45 -5.430 -8.643 1.385 1.00 34.40 H new ATOM 0 HD2 LYS A 45 -6.729 -11.198 1.616 1.00 53.12 H new ATOM 0 HD3 LYS A 45 -6.423 -10.607 3.238 1.00 53.12 H new ATOM 0 HE2 LYS A 45 -7.894 -8.869 3.034 1.00 63.43 H new ATOM 0 HE3 LYS A 45 -7.442 -8.540 1.373 1.00 63.43 H new ATOM 0 HZ1 LYS A 45 -9.710 -9.341 1.522 1.00 1.25 H new ATOM 0 HZ2 LYS A 45 -8.758 -10.455 0.665 1.00 1.25 H new ATOM 0 HZ3 LYS A 45 -9.196 -10.774 2.274 1.00 1.25 H new ATOM 663 N LEU A 46 -1.828 -11.774 1.834 1.00 3.44 N ATOM 664 CA LEU A 46 -1.099 -12.998 2.139 1.00 72.31 C ATOM 665 C LEU A 46 -1.941 -13.934 3.001 1.00 24.45 C ATOM 666 O LEU A 46 -3.055 -13.592 3.399 1.00 70.34 O ATOM 667 CB LEU A 46 0.212 -12.669 2.856 1.00 61.42 C ATOM 668 CG LEU A 46 1.176 -11.750 2.104 1.00 62.11 C ATOM 669 CD1 LEU A 46 2.219 -11.182 3.053 1.00 54.14 C ATOM 670 CD2 LEU A 46 1.842 -12.498 0.959 1.00 72.14 C ATOM 0 H LEU A 46 -1.890 -11.116 2.611 1.00 3.44 H new ATOM 0 HA LEU A 46 -0.876 -13.502 1.199 1.00 72.31 H new ATOM 0 HB2 LEU A 46 -0.027 -12.206 3.814 1.00 61.42 H new ATOM 0 HB3 LEU A 46 0.728 -13.604 3.074 1.00 61.42 H new ATOM 0 HG LEU A 46 0.606 -10.920 1.685 1.00 62.11 H new ATOM 0 HD11 LEU A 46 2.897 -10.530 2.501 1.00 54.14 H new ATOM 0 HD12 LEU A 46 1.724 -10.610 3.838 1.00 54.14 H new ATOM 0 HD13 LEU A 46 2.785 -11.998 3.502 1.00 54.14 H new ATOM 0 HD21 LEU A 46 2.524 -11.829 0.435 1.00 72.14 H new ATOM 0 HD22 LEU A 46 2.399 -13.347 1.354 1.00 72.14 H new ATOM 0 HD23 LEU A 46 1.080 -12.855 0.266 1.00 72.14 H new ATOM 681 N ASP A 47 -1.403 -15.114 3.284 1.00 55.14 N ATOM 682 CA ASP A 47 -2.103 -16.098 4.102 1.00 30.31 C ATOM 683 C ASP A 47 -1.357 -16.350 5.409 1.00 34.14 C ATOM 684 O ASP A 47 -0.359 -17.071 5.436 1.00 24.42 O ATOM 685 CB ASP A 47 -2.264 -17.410 3.332 1.00 32.52 C ATOM 686 CG ASP A 47 -3.292 -17.307 2.222 1.00 44.11 C ATOM 687 OD1 ASP A 47 -4.433 -16.885 2.508 1.00 11.12 O ATOM 688 OD2 ASP A 47 -2.958 -17.649 1.069 1.00 71.40 O ATOM 0 H ASP A 47 -0.484 -15.413 2.959 1.00 55.14 H new ATOM 0 HA ASP A 47 -3.090 -15.700 4.339 1.00 30.31 H new ATOM 0 HB2 ASP A 47 -1.303 -17.699 2.907 1.00 32.52 H new ATOM 0 HB3 ASP A 47 -2.558 -18.200 4.023 1.00 32.52 H new ATOM 692 N SER A 48 -1.846 -15.750 6.488 1.00 5.21 N ATOM 693 CA SER A 48 -1.223 -15.905 7.798 1.00 1.35 C ATOM 694 C SER A 48 -1.835 -17.080 8.554 1.00 62.22 C ATOM 695 O SER A 48 -1.122 -17.909 9.118 1.00 73.21 O ATOM 696 CB SER A 48 -1.378 -14.621 8.614 1.00 50.34 C ATOM 697 OG SER A 48 -2.744 -14.277 8.771 1.00 74.21 O ATOM 0 H SER A 48 -2.672 -15.152 6.482 1.00 5.21 H new ATOM 0 HA SER A 48 -0.162 -16.105 7.648 1.00 1.35 H new ATOM 0 HB2 SER A 48 -0.918 -14.751 9.593 1.00 50.34 H new ATOM 0 HB3 SER A 48 -0.849 -13.806 8.119 1.00 50.34 H new ATOM 0 HG SER A 48 -2.816 -13.454 9.298 1.00 74.21 H new ATOM 702 N GLY A 49 -3.164 -17.143 8.563 1.00 13.22 N ATOM 703 CA GLY A 49 -3.850 -18.220 9.253 1.00 1.44 C ATOM 704 C GLY A 49 -3.987 -17.960 10.740 1.00 44.30 C ATOM 705 O GLY A 49 -3.846 -18.873 11.554 1.00 3.42 O ATOM 0 H GLY A 49 -3.777 -16.468 8.105 1.00 13.22 H new ATOM 0 HA2 GLY A 49 -4.840 -18.354 8.818 1.00 1.44 H new ATOM 0 HA3 GLY A 49 -3.305 -19.152 9.099 1.00 1.44 H new ATOM 709 N THR A 50 -4.263 -16.709 11.098 1.00 40.02 N ATOM 710 CA THR A 50 -4.417 -16.330 12.497 1.00 40.33 C ATOM 711 C THR A 50 -5.566 -15.345 12.676 1.00 45.04 C ATOM 712 O THR A 50 -6.303 -15.409 13.660 1.00 72.40 O ATOM 713 CB THR A 50 -3.125 -15.701 13.054 1.00 12.12 C ATOM 714 OG1 THR A 50 -3.357 -15.194 14.372 1.00 55.14 O ATOM 715 CG2 THR A 50 -2.637 -14.578 12.151 1.00 63.14 C ATOM 0 H THR A 50 -4.384 -15.941 10.438 1.00 40.02 H new ATOM 0 HA THR A 50 -4.636 -17.244 13.050 1.00 40.33 H new ATOM 0 HB THR A 50 -2.357 -16.474 13.092 1.00 12.12 H new ATOM 0 HG1 THR A 50 -2.531 -14.797 14.720 1.00 55.14 H new ATOM 0 HG21 THR A 50 -1.724 -14.149 12.564 1.00 63.14 H new ATOM 0 HG22 THR A 50 -2.434 -14.974 11.156 1.00 63.14 H new ATOM 0 HG23 THR A 50 -3.403 -13.805 12.085 1.00 63.14 H new ATOM 723 N GLY A 51 -5.715 -14.434 11.720 1.00 55.05 N ATOM 724 CA GLY A 51 -6.777 -13.449 11.793 1.00 3.13 C ATOM 725 C GLY A 51 -6.261 -12.029 11.671 1.00 45.31 C ATOM 726 O GLY A 51 -6.854 -11.096 12.214 1.00 3.43 O ATOM 0 H GLY A 51 -5.119 -14.361 10.896 1.00 55.05 H new ATOM 0 HA2 GLY A 51 -7.500 -13.639 10.999 1.00 3.13 H new ATOM 0 HA3 GLY A 51 -7.306 -13.560 12.739 1.00 3.13 H new ATOM 730 N LYS A 52 -5.151 -11.863 10.960 1.00 60.33 N ATOM 731 CA LYS A 52 -4.554 -10.547 10.769 1.00 14.12 C ATOM 732 C LYS A 52 -4.835 -10.020 9.366 1.00 2.10 C ATOM 733 O LYS A 52 -5.303 -10.757 8.499 1.00 40.30 O ATOM 734 CB LYS A 52 -3.043 -10.610 11.008 1.00 63.43 C ATOM 735 CG LYS A 52 -2.668 -11.045 12.413 1.00 71.33 C ATOM 736 CD LYS A 52 -1.876 -9.969 13.137 1.00 62.43 C ATOM 737 CE LYS A 52 -2.788 -9.041 13.925 1.00 11.22 C ATOM 738 NZ LYS A 52 -2.486 -7.608 13.655 1.00 2.55 N ATOM 0 H LYS A 52 -4.646 -12.624 10.506 1.00 60.33 H new ATOM 0 HA LYS A 52 -5.002 -9.864 11.491 1.00 14.12 H new ATOM 0 HB2 LYS A 52 -2.599 -11.301 10.292 1.00 63.43 H new ATOM 0 HB3 LYS A 52 -2.611 -9.628 10.813 1.00 63.43 H new ATOM 0 HG2 LYS A 52 -3.572 -11.274 12.977 1.00 71.33 H new ATOM 0 HG3 LYS A 52 -2.080 -11.962 12.366 1.00 71.33 H new ATOM 0 HD2 LYS A 52 -1.159 -10.436 13.812 1.00 62.43 H new ATOM 0 HD3 LYS A 52 -1.302 -9.389 12.414 1.00 62.43 H new ATOM 0 HE2 LYS A 52 -3.827 -9.248 13.668 1.00 11.22 H new ATOM 0 HE3 LYS A 52 -2.677 -9.241 14.991 1.00 11.22 H new ATOM 0 HZ1 LYS A 52 -3.128 -7.007 14.210 1.00 2.55 H new ATOM 0 HZ2 LYS A 52 -1.502 -7.404 13.924 1.00 2.55 H new ATOM 0 HZ3 LYS A 52 -2.616 -7.411 12.642 1.00 2.55 H new ATOM 748 N GLU A 53 -4.546 -8.740 9.150 1.00 60.40 N ATOM 749 CA GLU A 53 -4.769 -8.116 7.851 1.00 42.24 C ATOM 750 C GLU A 53 -3.473 -7.523 7.303 1.00 65.42 C ATOM 751 O GLU A 53 -3.155 -6.360 7.552 1.00 62.51 O ATOM 752 CB GLU A 53 -5.835 -7.024 7.961 1.00 31.42 C ATOM 753 CG GLU A 53 -6.968 -7.373 8.911 1.00 50.03 C ATOM 754 CD GLU A 53 -7.940 -6.226 9.108 1.00 21.11 C ATOM 755 OE1 GLU A 53 -8.031 -5.365 8.207 1.00 65.00 O ATOM 756 OE2 GLU A 53 -8.609 -6.189 10.162 1.00 32.31 O ATOM 0 H GLU A 53 -4.157 -8.116 9.857 1.00 60.40 H new ATOM 0 HA GLU A 53 -5.117 -8.885 7.162 1.00 42.24 H new ATOM 0 HB2 GLU A 53 -5.363 -6.100 8.295 1.00 31.42 H new ATOM 0 HB3 GLU A 53 -6.249 -6.831 6.971 1.00 31.42 H new ATOM 0 HG2 GLU A 53 -7.507 -8.238 8.525 1.00 50.03 H new ATOM 0 HG3 GLU A 53 -6.552 -7.661 9.876 1.00 50.03 H new ATOM 761 N LEU A 54 -2.730 -8.332 6.556 1.00 63.52 N ATOM 762 CA LEU A 54 -1.469 -7.890 5.972 1.00 53.21 C ATOM 763 C LEU A 54 -1.482 -8.059 4.457 1.00 15.35 C ATOM 764 O LEU A 54 -2.293 -8.807 3.911 1.00 2.21 O ATOM 765 CB LEU A 54 -0.302 -8.675 6.575 1.00 5.34 C ATOM 766 CG LEU A 54 -0.644 -10.050 7.149 1.00 12.21 C ATOM 767 CD1 LEU A 54 -0.800 -11.071 6.032 1.00 43.12 C ATOM 768 CD2 LEU A 54 0.425 -10.496 8.137 1.00 20.14 C ATOM 0 H LEU A 54 -2.979 -9.297 6.341 1.00 63.52 H new ATOM 0 HA LEU A 54 -1.343 -6.832 6.200 1.00 53.21 H new ATOM 0 HB2 LEU A 54 0.459 -8.804 5.806 1.00 5.34 H new ATOM 0 HB3 LEU A 54 0.144 -8.073 7.367 1.00 5.34 H new ATOM 0 HG LEU A 54 -1.593 -9.975 7.680 1.00 12.21 H new ATOM 0 HD11 LEU A 54 -1.043 -12.044 6.460 1.00 43.12 H new ATOM 0 HD12 LEU A 54 -1.601 -10.758 5.362 1.00 43.12 H new ATOM 0 HD13 LEU A 54 0.133 -11.144 5.473 1.00 43.12 H new ATOM 0 HD21 LEU A 54 0.165 -11.477 8.536 1.00 20.14 H new ATOM 0 HD22 LEU A 54 1.388 -10.554 7.630 1.00 20.14 H new ATOM 0 HD23 LEU A 54 0.488 -9.777 8.954 1.00 20.14 H new ATOM 779 N VAL A 55 -0.575 -7.360 3.780 1.00 11.50 N ATOM 780 CA VAL A 55 -0.479 -7.435 2.327 1.00 52.25 C ATOM 781 C VAL A 55 0.956 -7.221 1.859 1.00 23.50 C ATOM 782 O VAL A 55 1.539 -6.157 2.074 1.00 21.14 O ATOM 783 CB VAL A 55 -1.389 -6.393 1.650 1.00 4.30 C ATOM 784 CG1 VAL A 55 -2.766 -6.979 1.382 1.00 64.33 C ATOM 785 CG2 VAL A 55 -1.493 -5.140 2.507 1.00 15.34 C ATOM 0 H VAL A 55 0.104 -6.735 4.215 1.00 11.50 H new ATOM 0 HA VAL A 55 -0.806 -8.434 2.039 1.00 52.25 H new ATOM 0 HB VAL A 55 -0.945 -6.117 0.693 1.00 4.30 H new ATOM 0 HG11 VAL A 55 -3.394 -6.228 0.903 1.00 64.33 H new ATOM 0 HG12 VAL A 55 -2.672 -7.844 0.726 1.00 64.33 H new ATOM 0 HG13 VAL A 55 -3.221 -7.286 2.324 1.00 64.33 H new ATOM 0 HG21 VAL A 55 -2.140 -4.414 2.014 1.00 15.34 H new ATOM 0 HG22 VAL A 55 -1.913 -5.398 3.479 1.00 15.34 H new ATOM 0 HG23 VAL A 55 -0.501 -4.709 2.643 1.00 15.34 H new ATOM 795 N LEU A 56 1.521 -8.238 1.220 1.00 34.15 N ATOM 796 CA LEU A 56 2.889 -8.163 0.719 1.00 11.43 C ATOM 797 C LEU A 56 2.994 -7.171 -0.435 1.00 43.42 C ATOM 798 O LEU A 56 2.045 -6.989 -1.197 1.00 12.34 O ATOM 799 CB LEU A 56 3.364 -9.543 0.264 1.00 14.01 C ATOM 800 CG LEU A 56 4.836 -9.648 -0.138 1.00 34.31 C ATOM 801 CD1 LEU A 56 5.085 -8.915 -1.447 1.00 23.42 C ATOM 802 CD2 LEU A 56 5.730 -9.097 0.962 1.00 33.41 C ATOM 0 H LEU A 56 1.053 -9.125 1.036 1.00 34.15 H new ATOM 0 HA LEU A 56 3.527 -7.816 1.532 1.00 11.43 H new ATOM 0 HB2 LEU A 56 3.177 -10.253 1.069 1.00 14.01 H new ATOM 0 HB3 LEU A 56 2.754 -9.854 -0.584 1.00 14.01 H new ATOM 0 HG LEU A 56 5.079 -10.701 -0.283 1.00 34.31 H new ATOM 0 HD11 LEU A 56 6.137 -9.000 -1.717 1.00 23.42 H new ATOM 0 HD12 LEU A 56 4.472 -9.355 -2.233 1.00 23.42 H new ATOM 0 HD13 LEU A 56 4.825 -7.863 -1.330 1.00 23.42 H new ATOM 0 HD21 LEU A 56 6.774 -9.180 0.658 1.00 33.41 H new ATOM 0 HD22 LEU A 56 5.486 -8.050 1.139 1.00 33.41 H new ATOM 0 HD23 LEU A 56 5.572 -9.666 1.878 1.00 33.41 H new ATOM 813 N ALA A 57 4.153 -6.533 -0.558 1.00 34.31 N ATOM 814 CA ALA A 57 4.383 -5.563 -1.621 1.00 64.41 C ATOM 815 C ALA A 57 5.029 -6.221 -2.836 1.00 63.31 C ATOM 816 O ALA A 57 6.233 -6.477 -2.849 1.00 62.35 O ATOM 817 CB ALA A 57 5.250 -4.420 -1.115 1.00 71.10 C ATOM 0 H ALA A 57 4.948 -6.671 0.066 1.00 34.31 H new ATOM 0 HA ALA A 57 3.417 -5.163 -1.928 1.00 64.41 H new ATOM 0 HB1 ALA A 57 5.413 -3.703 -1.920 1.00 71.10 H new ATOM 0 HB2 ALA A 57 4.749 -3.924 -0.284 1.00 71.10 H new ATOM 0 HB3 ALA A 57 6.210 -4.813 -0.778 1.00 71.10 H new ATOM 823 N LEU A 58 4.220 -6.495 -3.853 1.00 34.44 N ATOM 824 CA LEU A 58 4.713 -7.126 -5.074 1.00 1.41 C ATOM 825 C LEU A 58 5.673 -6.201 -5.816 1.00 44.55 C ATOM 826 O LEU A 58 6.752 -6.618 -6.238 1.00 31.50 O ATOM 827 CB LEU A 58 3.544 -7.501 -5.985 1.00 32.43 C ATOM 828 CG LEU A 58 2.399 -8.273 -5.325 1.00 15.33 C ATOM 829 CD1 LEU A 58 1.247 -8.456 -6.301 1.00 72.52 C ATOM 830 CD2 LEU A 58 2.889 -9.620 -4.816 1.00 53.31 C ATOM 0 H LEU A 58 3.221 -6.291 -3.857 1.00 34.44 H new ATOM 0 HA LEU A 58 5.253 -8.031 -4.793 1.00 1.41 H new ATOM 0 HB2 LEU A 58 3.138 -6.586 -6.416 1.00 32.43 H new ATOM 0 HB3 LEU A 58 3.930 -8.099 -6.811 1.00 32.43 H new ATOM 0 HG LEU A 58 2.038 -7.695 -4.474 1.00 15.33 H new ATOM 0 HD11 LEU A 58 0.442 -9.007 -5.815 1.00 72.52 H new ATOM 0 HD12 LEU A 58 0.879 -7.480 -6.617 1.00 72.52 H new ATOM 0 HD13 LEU A 58 1.593 -9.013 -7.172 1.00 72.52 H new ATOM 0 HD21 LEU A 58 2.062 -10.155 -4.350 1.00 53.31 H new ATOM 0 HD22 LEU A 58 3.276 -10.205 -5.650 1.00 53.31 H new ATOM 0 HD23 LEU A 58 3.681 -9.466 -4.083 1.00 53.31 H new ATOM 841 N TYR A 59 5.275 -4.943 -5.967 1.00 2.21 N ATOM 842 CA TYR A 59 6.100 -3.958 -6.657 1.00 11.12 C ATOM 843 C TYR A 59 6.426 -2.781 -5.742 1.00 64.42 C ATOM 844 O TYR A 59 5.827 -2.624 -4.677 1.00 30.55 O ATOM 845 CB TYR A 59 5.389 -3.457 -7.915 1.00 11.04 C ATOM 846 CG TYR A 59 4.590 -4.526 -8.625 1.00 22.50 C ATOM 847 CD1 TYR A 59 5.089 -5.814 -8.771 1.00 55.24 C ATOM 848 CD2 TYR A 59 3.332 -4.249 -9.149 1.00 32.42 C ATOM 849 CE1 TYR A 59 4.364 -6.794 -9.419 1.00 5.23 C ATOM 850 CE2 TYR A 59 2.599 -5.223 -9.797 1.00 23.42 C ATOM 851 CZ TYR A 59 3.118 -6.494 -9.931 1.00 45.33 C ATOM 852 OH TYR A 59 2.390 -7.467 -10.576 1.00 14.31 O ATOM 0 H TYR A 59 4.386 -4.581 -5.621 1.00 2.21 H new ATOM 0 HA TYR A 59 7.034 -4.442 -6.943 1.00 11.12 H new ATOM 0 HB2 TYR A 59 4.723 -2.638 -7.644 1.00 11.04 H new ATOM 0 HB3 TYR A 59 6.130 -3.051 -8.604 1.00 11.04 H new ATOM 0 HD1 TYR A 59 6.063 -6.053 -8.370 1.00 55.24 H new ATOM 0 HD2 TYR A 59 2.922 -3.255 -9.047 1.00 32.42 H new ATOM 0 HE1 TYR A 59 4.769 -7.789 -9.525 1.00 5.23 H new ATOM 0 HE2 TYR A 59 1.623 -4.991 -10.197 1.00 23.42 H new ATOM 0 HH TYR A 59 1.535 -7.092 -10.875 1.00 14.31 H new ATOM 861 N ASP A 60 7.379 -1.958 -6.163 1.00 32.02 N ATOM 862 CA ASP A 60 7.784 -0.794 -5.384 1.00 72.14 C ATOM 863 C ASP A 60 6.889 0.402 -5.688 1.00 11.25 C ATOM 864 O ASP A 60 6.516 0.635 -6.838 1.00 60.21 O ATOM 865 CB ASP A 60 9.244 -0.443 -5.674 1.00 1.33 C ATOM 866 CG ASP A 60 9.380 0.658 -6.709 1.00 72.32 C ATOM 867 OD1 ASP A 60 8.971 0.436 -7.868 1.00 32.23 O ATOM 868 OD2 ASP A 60 9.894 1.740 -6.359 1.00 43.24 O ATOM 0 H ASP A 60 7.886 -2.075 -7.040 1.00 32.02 H new ATOM 0 HA ASP A 60 7.681 -1.041 -4.327 1.00 72.14 H new ATOM 0 HB2 ASP A 60 9.730 -0.131 -4.750 1.00 1.33 H new ATOM 0 HB3 ASP A 60 9.766 -1.333 -6.024 1.00 1.33 H new ATOM 872 N TYR A 61 6.549 1.158 -4.650 1.00 2.24 N ATOM 873 CA TYR A 61 5.694 2.330 -4.807 1.00 64.14 C ATOM 874 C TYR A 61 6.120 3.445 -3.857 1.00 43.35 C ATOM 875 O TYR A 61 6.763 3.194 -2.838 1.00 42.34 O ATOM 876 CB TYR A 61 4.232 1.958 -4.552 1.00 20.14 C ATOM 877 CG TYR A 61 3.271 3.107 -4.757 1.00 51.33 C ATOM 878 CD1 TYR A 61 3.228 4.169 -3.862 1.00 13.45 C ATOM 879 CD2 TYR A 61 2.406 3.130 -5.843 1.00 5.00 C ATOM 880 CE1 TYR A 61 2.351 5.222 -4.044 1.00 20.14 C ATOM 881 CE2 TYR A 61 1.526 4.179 -6.034 1.00 55.01 C ATOM 882 CZ TYR A 61 1.502 5.222 -5.132 1.00 54.14 C ATOM 883 OH TYR A 61 0.627 6.267 -5.317 1.00 13.42 O ATOM 0 H TYR A 61 6.851 0.981 -3.692 1.00 2.24 H new ATOM 0 HA TYR A 61 5.797 2.690 -5.831 1.00 64.14 H new ATOM 0 HB2 TYR A 61 3.953 1.139 -5.215 1.00 20.14 H new ATOM 0 HB3 TYR A 61 4.132 1.589 -3.531 1.00 20.14 H new ATOM 0 HD1 TYR A 61 3.891 4.172 -3.010 1.00 13.45 H new ATOM 0 HD2 TYR A 61 2.421 2.314 -6.551 1.00 5.00 H new ATOM 0 HE1 TYR A 61 2.330 6.040 -3.339 1.00 20.14 H new ATOM 0 HE2 TYR A 61 0.861 4.182 -6.885 1.00 55.01 H new ATOM 0 HH TYR A 61 -0.134 5.965 -5.855 1.00 13.42 H new ATOM 892 N GLN A 62 5.755 4.677 -4.198 1.00 22.54 N ATOM 893 CA GLN A 62 6.098 5.830 -3.376 1.00 40.04 C ATOM 894 C GLN A 62 4.954 6.839 -3.348 1.00 72.43 C ATOM 895 O GLN A 62 4.580 7.395 -4.379 1.00 13.31 O ATOM 896 CB GLN A 62 7.370 6.498 -3.903 1.00 23.34 C ATOM 897 CG GLN A 62 8.474 6.609 -2.865 1.00 75.33 C ATOM 898 CD GLN A 62 8.322 7.828 -1.978 1.00 51.24 C ATOM 899 OE1 GLN A 62 7.110 8.056 -1.488 1.00 62.52 O flip ATOM 900 NE2 GLN A 62 9.285 8.558 -1.736 1.00 43.54 N flip ATOM 0 H GLN A 62 5.222 4.901 -5.038 1.00 22.54 H new ATOM 0 HA GLN A 62 6.274 5.480 -2.359 1.00 40.04 H new ATOM 0 HB2 GLN A 62 7.741 5.931 -4.757 1.00 23.34 H new ATOM 0 HB3 GLN A 62 7.123 7.496 -4.266 1.00 23.34 H new ATOM 0 HG2 GLN A 62 8.476 5.712 -2.246 1.00 75.33 H new ATOM 0 HG3 GLN A 62 9.439 6.650 -3.370 1.00 75.33 H new ATOM 0 HE21 GLN A 62 10.199 8.345 -2.134 1.00 43.54 H new ATOM 0 HE22 GLN A 62 9.168 9.375 -1.137 1.00 43.54 H new ATOM 907 N GLU A 63 4.402 7.067 -2.160 1.00 32.11 N ATOM 908 CA GLU A 63 3.300 8.007 -1.999 1.00 2.33 C ATOM 909 C GLU A 63 3.735 9.221 -1.180 1.00 31.35 C ATOM 910 O GLU A 63 4.511 9.098 -0.234 1.00 61.24 O ATOM 911 CB GLU A 63 2.111 7.323 -1.323 1.00 62.22 C ATOM 912 CG GLU A 63 0.780 7.601 -2.002 1.00 12.24 C ATOM 913 CD GLU A 63 0.751 8.950 -2.694 1.00 25.01 C ATOM 914 OE1 GLU A 63 0.538 9.967 -2.003 1.00 1.44 O ATOM 915 OE2 GLU A 63 0.940 8.986 -3.928 1.00 2.35 O ATOM 0 H GLU A 63 4.700 6.614 -1.296 1.00 32.11 H new ATOM 0 HA GLU A 63 2.999 8.347 -2.990 1.00 2.33 H new ATOM 0 HB2 GLU A 63 2.283 6.247 -1.307 1.00 62.22 H new ATOM 0 HB3 GLU A 63 2.055 7.652 -0.285 1.00 62.22 H new ATOM 0 HG2 GLU A 63 0.578 6.817 -2.732 1.00 12.24 H new ATOM 0 HG3 GLU A 63 -0.018 7.559 -1.261 1.00 12.24 H new ATOM 920 N SER A 64 3.229 10.391 -1.555 1.00 14.14 N ATOM 921 CA SER A 64 3.568 11.628 -0.860 1.00 70.52 C ATOM 922 C SER A 64 2.340 12.219 -0.174 1.00 42.00 C ATOM 923 O SER A 64 1.459 12.776 -0.826 1.00 4.22 O ATOM 924 CB SER A 64 4.156 12.644 -1.841 1.00 51.33 C ATOM 925 OG SER A 64 5.039 13.536 -1.182 1.00 20.21 O ATOM 0 H SER A 64 2.583 10.509 -2.336 1.00 14.14 H new ATOM 0 HA SER A 64 4.312 11.396 -0.098 1.00 70.52 H new ATOM 0 HB2 SER A 64 4.688 12.121 -2.636 1.00 51.33 H new ATOM 0 HB3 SER A 64 3.351 13.207 -2.313 1.00 51.33 H new ATOM 0 HG SER A 64 5.225 13.205 -0.279 1.00 20.21 H new ATOM 930 N GLY A 65 2.291 12.092 1.149 1.00 22.12 N ATOM 931 CA GLY A 65 1.168 12.617 1.903 1.00 3.21 C ATOM 932 C GLY A 65 -0.108 11.834 1.665 1.00 42.34 C ATOM 933 O GLY A 65 -0.676 11.876 0.575 1.00 1.10 O ATOM 0 H GLY A 65 3.009 11.635 1.711 1.00 22.12 H new ATOM 0 HA2 GLY A 65 1.408 12.599 2.966 1.00 3.21 H new ATOM 0 HA3 GLY A 65 1.007 13.660 1.630 1.00 3.21 H new ATOM 937 N ASP A 66 -0.557 11.116 2.688 1.00 43.12 N ATOM 938 CA ASP A 66 -1.775 10.318 2.587 1.00 35.14 C ATOM 939 C ASP A 66 -2.817 11.024 1.724 1.00 14.52 C ATOM 940 O ASP A 66 -3.450 11.984 2.161 1.00 3.42 O ATOM 941 CB ASP A 66 -2.348 10.042 3.977 1.00 55.15 C ATOM 942 CG ASP A 66 -2.854 11.300 4.654 1.00 43.24 C ATOM 943 OD1 ASP A 66 -4.041 11.641 4.462 1.00 75.33 O ATOM 944 OD2 ASP A 66 -2.065 11.943 5.378 1.00 54.11 O ATOM 0 H ASP A 66 -0.097 11.070 3.597 1.00 43.12 H new ATOM 0 HA ASP A 66 -1.520 9.370 2.114 1.00 35.14 H new ATOM 0 HB2 ASP A 66 -3.164 9.324 3.895 1.00 55.15 H new ATOM 0 HB3 ASP A 66 -1.580 9.582 4.599 1.00 55.15 H new ATOM 948 N ASN A 67 -2.987 10.543 0.497 1.00 53.15 N ATOM 949 CA ASN A 67 -3.950 11.129 -0.427 1.00 43.31 C ATOM 950 C ASN A 67 -4.955 10.084 -0.901 1.00 0.12 C ATOM 951 O ASN A 67 -4.633 8.900 -1.000 1.00 62.00 O ATOM 952 CB ASN A 67 -3.228 11.742 -1.629 1.00 63.00 C ATOM 953 CG ASN A 67 -2.232 12.811 -1.222 1.00 32.31 C ATOM 954 OD1 ASN A 67 -1.098 12.832 -1.700 1.00 1.31 O ATOM 955 ND2 ASN A 67 -2.653 13.704 -0.334 1.00 73.22 N ATOM 0 H ASN A 67 -2.470 9.749 0.120 1.00 53.15 H new ATOM 0 HA ASN A 67 -4.491 11.914 0.101 1.00 43.31 H new ATOM 0 HB2 ASN A 67 -2.709 10.956 -2.177 1.00 63.00 H new ATOM 0 HB3 ASN A 67 -3.962 12.174 -2.309 1.00 63.00 H new ATOM 0 HD21 ASN A 67 -2.027 14.446 -0.021 1.00 73.22 H new ATOM 0 HD22 ASN A 67 -3.602 13.648 0.035 1.00 73.22 H new ATOM 961 N ALA A 68 -6.171 10.530 -1.196 1.00 44.23 N ATOM 962 CA ALA A 68 -7.222 9.635 -1.662 1.00 34.35 C ATOM 963 C ALA A 68 -7.034 9.287 -3.135 1.00 50.50 C ATOM 964 O ALA A 68 -6.634 10.122 -3.948 1.00 22.05 O ATOM 965 CB ALA A 68 -8.590 10.261 -1.436 1.00 13.24 C ATOM 0 H ALA A 68 -6.453 11.507 -1.120 1.00 44.23 H new ATOM 0 HA ALA A 68 -7.159 8.712 -1.086 1.00 34.35 H new ATOM 0 HB1 ALA A 68 -9.365 9.580 -1.789 1.00 13.24 H new ATOM 0 HB2 ALA A 68 -8.732 10.451 -0.372 1.00 13.24 H new ATOM 0 HB3 ALA A 68 -8.655 11.201 -1.984 1.00 13.24 H new ATOM 971 N PRO A 69 -7.327 8.028 -3.490 1.00 73.23 N ATOM 972 CA PRO A 69 -7.196 7.542 -4.867 1.00 31.04 C ATOM 973 C PRO A 69 -8.241 8.151 -5.797 1.00 41.25 C ATOM 974 O PRO A 69 -9.258 7.526 -6.096 1.00 64.03 O ATOM 975 CB PRO A 69 -7.413 6.033 -4.733 1.00 22.45 C ATOM 976 CG PRO A 69 -8.237 5.876 -3.501 1.00 51.51 C ATOM 977 CD PRO A 69 -7.807 6.980 -2.574 1.00 2.12 C ATOM 0 HA PRO A 69 -6.234 7.810 -5.305 1.00 31.04 H new ATOM 0 HB2 PRO A 69 -7.925 5.628 -5.606 1.00 22.45 H new ATOM 0 HB3 PRO A 69 -6.465 5.503 -4.645 1.00 22.45 H new ATOM 0 HG2 PRO A 69 -9.300 5.950 -3.730 1.00 51.51 H new ATOM 0 HG3 PRO A 69 -8.076 4.899 -3.046 1.00 51.51 H new ATOM 0 HD2 PRO A 69 -8.634 7.333 -1.958 1.00 2.12 H new ATOM 0 HD3 PRO A 69 -7.022 6.650 -1.894 1.00 2.12 H new ATOM 982 N SER A 70 -7.981 9.373 -6.251 1.00 32.12 N ATOM 983 CA SER A 70 -8.902 10.066 -7.145 1.00 14.43 C ATOM 984 C SER A 70 -8.573 9.763 -8.604 1.00 25.41 C ATOM 985 O SER A 70 -9.271 10.211 -9.516 1.00 64.04 O ATOM 986 CB SER A 70 -8.842 11.575 -6.902 1.00 41.34 C ATOM 987 OG SER A 70 -9.412 11.912 -5.648 1.00 0.44 O ATOM 0 H SER A 70 -7.142 9.903 -6.015 1.00 32.12 H new ATOM 0 HA SER A 70 -9.911 9.710 -6.935 1.00 14.43 H new ATOM 0 HB2 SER A 70 -7.806 11.911 -6.936 1.00 41.34 H new ATOM 0 HB3 SER A 70 -9.373 12.096 -7.698 1.00 41.34 H new ATOM 0 HG SER A 70 -9.360 12.882 -5.515 1.00 0.44 H new ATOM 992 N TYR A 71 -7.509 8.998 -8.818 1.00 15.31 N ATOM 993 CA TYR A 71 -7.086 8.636 -10.165 1.00 15.12 C ATOM 994 C TYR A 71 -6.796 7.142 -10.262 1.00 73.24 C ATOM 995 O TYR A 71 -6.782 6.434 -9.255 1.00 62.13 O ATOM 996 CB TYR A 71 -5.845 9.435 -10.566 1.00 52.44 C ATOM 997 CG TYR A 71 -4.784 9.486 -9.490 1.00 72.11 C ATOM 998 CD1 TYR A 71 -4.303 8.320 -8.906 1.00 14.34 C ATOM 999 CD2 TYR A 71 -4.263 10.699 -9.056 1.00 13.03 C ATOM 1000 CE1 TYR A 71 -3.334 8.362 -7.921 1.00 20.14 C ATOM 1001 CE2 TYR A 71 -3.293 10.750 -8.074 1.00 71.31 C ATOM 1002 CZ TYR A 71 -2.833 9.579 -7.509 1.00 15.12 C ATOM 1003 OH TYR A 71 -1.867 9.625 -6.531 1.00 60.24 O ATOM 0 H TYR A 71 -6.923 8.616 -8.075 1.00 15.31 H new ATOM 0 HA TYR A 71 -7.900 8.875 -10.850 1.00 15.12 H new ATOM 0 HB2 TYR A 71 -5.416 8.996 -11.467 1.00 52.44 H new ATOM 0 HB3 TYR A 71 -6.144 10.452 -10.818 1.00 52.44 H new ATOM 0 HD1 TYR A 71 -4.693 7.365 -9.227 1.00 14.34 H new ATOM 0 HD2 TYR A 71 -4.623 11.618 -9.494 1.00 13.03 H new ATOM 0 HE1 TYR A 71 -2.971 7.447 -7.477 1.00 20.14 H new ATOM 0 HE2 TYR A 71 -2.897 11.701 -7.751 1.00 71.31 H new ATOM 0 HH TYR A 71 -1.621 10.558 -6.357 1.00 60.24 H new ATOM 1012 N SER A 72 -6.562 6.667 -11.482 1.00 1.42 N ATOM 1013 CA SER A 72 -6.274 5.257 -11.711 1.00 35.14 C ATOM 1014 C SER A 72 -4.881 4.896 -11.203 1.00 3.12 C ATOM 1015 O SER A 72 -3.986 5.737 -11.119 1.00 11.43 O ATOM 1016 CB SER A 72 -6.385 4.928 -13.202 1.00 2.12 C ATOM 1017 OG SER A 72 -5.716 5.899 -13.989 1.00 22.21 O ATOM 0 H SER A 72 -6.566 7.239 -12.327 1.00 1.42 H new ATOM 0 HA SER A 72 -7.007 4.668 -11.159 1.00 35.14 H new ATOM 0 HB2 SER A 72 -5.958 3.943 -13.393 1.00 2.12 H new ATOM 0 HB3 SER A 72 -7.435 4.882 -13.490 1.00 2.12 H new ATOM 0 HG SER A 72 -5.800 5.666 -14.937 1.00 22.21 H new ATOM 1022 N PRO A 73 -4.694 3.615 -10.853 1.00 71.31 N ATOM 1023 CA PRO A 73 -3.414 3.112 -10.347 1.00 54.45 C ATOM 1024 C PRO A 73 -2.336 3.078 -11.425 1.00 63.24 C ATOM 1025 O PRO A 73 -2.612 2.858 -12.605 1.00 43.45 O ATOM 1026 CB PRO A 73 -3.750 1.694 -9.880 1.00 33.43 C ATOM 1027 CG PRO A 73 -4.932 1.297 -10.695 1.00 71.42 C ATOM 1028 CD PRO A 73 -5.718 2.559 -10.927 1.00 54.25 C ATOM 0 HA PRO A 73 -3.008 3.749 -9.561 1.00 54.45 H new ATOM 0 HB2 PRO A 73 -2.912 1.015 -10.041 1.00 33.43 H new ATOM 0 HB3 PRO A 73 -3.978 1.672 -8.814 1.00 33.43 H new ATOM 0 HG2 PRO A 73 -4.622 0.851 -11.640 1.00 71.42 H new ATOM 0 HG3 PRO A 73 -5.534 0.553 -10.173 1.00 71.42 H new ATOM 0 HD2 PRO A 73 -6.217 2.550 -11.896 1.00 54.25 H new ATOM 0 HD3 PRO A 73 -6.492 2.695 -10.172 1.00 54.25 H new ATOM 1033 N PRO A 74 -1.079 3.299 -11.013 1.00 22.32 N ATOM 1034 CA PRO A 74 0.065 3.298 -11.930 1.00 22.22 C ATOM 1035 C PRO A 74 0.381 1.904 -12.461 1.00 42.03 C ATOM 1036 O PRO A 74 0.128 0.891 -11.807 1.00 3.32 O ATOM 1037 CB PRO A 74 1.216 3.812 -11.061 1.00 72.25 C ATOM 1038 CG PRO A 74 0.822 3.466 -9.666 1.00 32.45 C ATOM 1039 CD PRO A 74 -0.678 3.568 -9.622 1.00 11.22 C ATOM 0 HA PRO A 74 -0.123 3.904 -12.816 1.00 22.22 H new ATOM 0 HB2 PRO A 74 2.160 3.340 -11.334 1.00 72.25 H new ATOM 0 HB3 PRO A 74 1.351 4.887 -11.179 1.00 72.25 H new ATOM 0 HG2 PRO A 74 1.153 2.461 -9.405 1.00 32.45 H new ATOM 0 HG3 PRO A 74 1.281 4.148 -8.950 1.00 32.45 H new ATOM 0 HD2 PRO A 74 -1.110 2.843 -8.932 1.00 11.22 H new ATOM 0 HD3 PRO A 74 -1.004 4.555 -9.293 1.00 11.22 H new ATOM 1044 N PRO A 75 0.947 1.846 -13.676 1.00 44.20 N ATOM 1045 CA PRO A 75 1.310 0.581 -14.321 1.00 2.34 C ATOM 1046 C PRO A 75 2.485 -0.104 -13.633 1.00 15.41 C ATOM 1047 O PRO A 75 3.545 0.488 -13.427 1.00 74.45 O ATOM 1048 CB PRO A 75 1.693 1.004 -15.741 1.00 12.34 C ATOM 1049 CG PRO A 75 2.120 2.426 -15.610 1.00 62.41 C ATOM 1050 CD PRO A 75 1.276 3.013 -14.512 1.00 31.41 C ATOM 0 HA PRO A 75 0.497 -0.144 -14.283 1.00 2.34 H new ATOM 0 HB2 PRO A 75 2.498 0.384 -16.136 1.00 12.34 H new ATOM 0 HB3 PRO A 75 0.850 0.905 -16.425 1.00 12.34 H new ATOM 0 HG2 PRO A 75 3.180 2.494 -15.366 1.00 62.41 H new ATOM 0 HG3 PRO A 75 1.973 2.965 -16.546 1.00 62.41 H new ATOM 0 HD2 PRO A 75 1.820 3.771 -13.948 1.00 31.41 H new ATOM 0 HD3 PRO A 75 0.379 3.491 -14.906 1.00 31.41 H new ATOM 1055 N PRO A 76 2.297 -1.381 -13.269 1.00 24.42 N ATOM 1056 CA PRO A 76 3.332 -2.175 -12.600 1.00 4.43 C ATOM 1057 C PRO A 76 4.496 -2.507 -13.527 1.00 51.03 C ATOM 1058 O PRO A 76 4.440 -2.291 -14.737 1.00 23.14 O ATOM 1059 CB PRO A 76 2.592 -3.450 -12.192 1.00 64.35 C ATOM 1060 CG PRO A 76 1.464 -3.560 -13.158 1.00 3.15 C ATOM 1061 CD PRO A 76 1.059 -2.149 -13.484 1.00 63.41 C ATOM 0 HA PRO A 76 3.780 -1.640 -11.763 1.00 4.43 H new ATOM 0 HB2 PRO A 76 3.245 -4.321 -12.246 1.00 64.35 H new ATOM 0 HB3 PRO A 76 2.230 -3.386 -11.166 1.00 64.35 H new ATOM 0 HG2 PRO A 76 1.771 -4.096 -14.057 1.00 3.15 H new ATOM 0 HG3 PRO A 76 0.632 -4.115 -12.725 1.00 3.15 H new ATOM 0 HD2 PRO A 76 0.704 -2.060 -14.511 1.00 63.41 H new ATOM 0 HD3 PRO A 76 0.253 -1.802 -12.837 1.00 63.41 H new ATOM 1066 N PRO A 77 5.579 -3.048 -12.947 1.00 51.13 N ATOM 1067 CA PRO A 77 6.777 -3.423 -13.704 1.00 53.15 C ATOM 1068 C PRO A 77 6.539 -4.628 -14.607 1.00 24.11 C ATOM 1069 O PRO A 77 6.700 -5.774 -14.186 1.00 3.13 O ATOM 1070 CB PRO A 77 7.792 -3.767 -12.610 1.00 35.22 C ATOM 1071 CG PRO A 77 6.966 -4.166 -11.438 1.00 62.43 C ATOM 1072 CD PRO A 77 5.716 -3.335 -11.509 1.00 45.01 C ATOM 0 HA PRO A 77 7.103 -2.627 -14.373 1.00 53.15 H new ATOM 0 HB2 PRO A 77 8.452 -4.576 -12.923 1.00 35.22 H new ATOM 0 HB3 PRO A 77 8.426 -2.912 -12.375 1.00 35.22 H new ATOM 0 HG2 PRO A 77 6.730 -5.230 -11.471 1.00 62.43 H new ATOM 0 HG3 PRO A 77 7.501 -3.987 -10.505 1.00 62.43 H new ATOM 0 HD2 PRO A 77 4.852 -3.875 -11.123 1.00 45.01 H new ATOM 0 HD3 PRO A 77 5.808 -2.420 -10.923 1.00 45.01 H new TER 1077 PRO A 77