USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ 154:sc= 0.601 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot -170:sc= 0.679 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -137:sc= -0.617 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -170:sc=-0.00224 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -2:sc= 0.0881 USER MOD Single : A 77 TYR OH : rot -69:sc= 0.649 USER MOD Single : A 80 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.09) USER MOD Single : A 85 TYR OH : rot -68:sc= -0.424 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -1.12 (180deg=-1.7) USER MOD Single : A 92 ASN : amide:sc= -0.0123 K(o=-0.012,f=-0.95) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.433 F(o=-2.5!,f=-0.43) USER MOD Single : A 99 SER OG : rot -160:sc= 1.05 USER MOD Single : A 107 SER OG : rot 46:sc= 0.481 USER MOD Single : A 109 SER OG : rot -26:sc= -1.94! USER MOD Single : A 116 THR OG1 : rot -130:sc= 0.338 USER MOD Single : A 118 THR OG1 : rot -64:sc= 0.683 USER MOD Single : A 119 SER OG : rot -31:sc= 1.94 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 158:sc= 0.00921 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= -0.5 USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.13) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot 180:sc= -1.53! USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 21:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 112.460 12.353 42.255 1.00 6.50 N ATOM 2 CA GLY A 1 113.692 11.445 42.240 1.00 6.23 C ATOM 3 C GLY A 1 115.010 11.979 42.684 1.00 6.29 C ATOM 4 O GLY A 1 115.194 13.174 42.808 1.00 6.64 O ATOM 0 H1 GLY A 1 111.633 11.821 41.916 1.00 6.50 H new ATOM 0 H2 GLY A 1 112.285 12.685 43.225 1.00 6.50 H new ATOM 0 H3 GLY A 1 112.624 13.171 41.634 1.00 6.50 H new ATOM 0 HA2 GLY A 1 113.466 10.579 42.862 1.00 6.23 H new ATOM 0 HA3 GLY A 1 113.815 11.081 41.220 1.00 6.23 H new ATOM 10 N ILE A 2 115.960 11.115 42.920 1.00 6.02 N ATOM 11 CA ILE A 2 117.300 11.564 43.354 1.00 6.16 C ATOM 12 C ILE A 2 118.233 10.346 43.344 1.00 5.79 C ATOM 13 O ILE A 2 118.916 10.082 44.310 1.00 5.94 O ATOM 14 CB ILE A 2 117.200 12.171 44.769 1.00 6.64 C ATOM 15 CG1 ILE A 2 118.560 12.770 45.186 1.00 7.00 C ATOM 16 CG2 ILE A 2 116.763 11.097 45.784 1.00 7.08 C ATOM 17 CD1 ILE A 2 118.347 13.830 46.271 1.00 7.04 C ATOM 0 H ILE A 2 115.856 10.105 42.827 1.00 6.02 H new ATOM 0 HA ILE A 2 117.694 12.328 42.684 1.00 6.16 H new ATOM 0 HB ILE A 2 116.452 12.964 44.756 1.00 6.64 H new ATOM 0 HG12 ILE A 2 119.216 11.983 45.557 1.00 7.00 H new ATOM 0 HG13 ILE A 2 119.053 13.215 44.321 1.00 7.00 H new ATOM 0 HG21 ILE A 2 116.697 11.541 46.777 1.00 7.08 H new ATOM 0 HG22 ILE A 2 115.789 10.701 45.498 1.00 7.08 H new ATOM 0 HG23 ILE A 2 117.494 10.288 45.796 1.00 7.08 H new ATOM 0 HD11 ILE A 2 119.309 14.251 46.563 1.00 7.04 H new ATOM 0 HD12 ILE A 2 117.707 14.623 45.884 1.00 7.04 H new ATOM 0 HD13 ILE A 2 117.873 13.372 47.139 1.00 7.04 H new ATOM 29 N PRO A 3 118.246 9.626 42.240 1.00 5.36 N ATOM 30 CA PRO A 3 119.101 8.439 42.114 1.00 5.06 C ATOM 31 C PRO A 3 120.540 8.832 42.356 1.00 5.29 C ATOM 32 O PRO A 3 121.091 8.560 43.403 1.00 5.50 O ATOM 33 CB PRO A 3 118.890 7.946 40.659 1.00 4.64 C ATOM 34 CG PRO A 3 118.024 9.013 39.937 1.00 4.75 C ATOM 35 CD PRO A 3 117.442 9.932 41.029 1.00 5.21 C ATOM 0 HA PRO A 3 118.858 7.658 42.834 1.00 5.06 H new ATOM 0 HB2 PRO A 3 119.847 7.819 40.153 1.00 4.64 H new ATOM 0 HB3 PRO A 3 118.393 6.976 40.649 1.00 4.64 H new ATOM 0 HG2 PRO A 3 118.626 9.585 39.231 1.00 4.75 H new ATOM 0 HG3 PRO A 3 117.226 8.540 39.365 1.00 4.75 H new ATOM 0 HD2 PRO A 3 117.528 10.982 40.751 1.00 5.21 H new ATOM 0 HD3 PRO A 3 116.383 9.731 41.194 1.00 5.21 H new ATOM 43 N GLU A 4 121.173 9.402 41.376 1.00 5.31 N ATOM 44 CA GLU A 4 122.623 9.724 41.524 1.00 5.63 C ATOM 45 C GLU A 4 123.294 8.356 41.447 1.00 5.43 C ATOM 46 O GLU A 4 124.188 8.105 40.664 1.00 5.60 O ATOM 47 CB GLU A 4 122.895 10.408 42.882 1.00 6.12 C ATOM 48 CG GLU A 4 124.082 11.370 42.755 1.00 6.48 C ATOM 49 CD GLU A 4 125.348 10.578 42.425 1.00 6.49 C ATOM 50 OE1 GLU A 4 125.447 10.096 41.308 1.00 6.75 O ATOM 51 OE2 GLU A 4 126.198 10.468 43.294 1.00 6.52 O ATOM 0 H GLU A 4 120.757 9.660 40.481 1.00 5.31 H new ATOM 0 HA GLU A 4 122.991 10.418 40.768 1.00 5.63 H new ATOM 0 HB2 GLU A 4 122.009 10.952 43.209 1.00 6.12 H new ATOM 0 HB3 GLU A 4 123.106 9.656 43.642 1.00 6.12 H new ATOM 0 HG2 GLU A 4 123.886 12.105 41.974 1.00 6.48 H new ATOM 0 HG3 GLU A 4 124.218 11.922 43.685 1.00 6.48 H new ATOM 58 N PHE A 5 122.759 7.452 42.221 1.00 5.16 N ATOM 59 CA PHE A 5 123.188 6.048 42.220 1.00 5.00 C ATOM 60 C PHE A 5 123.160 5.585 40.763 1.00 4.64 C ATOM 61 O PHE A 5 123.885 4.699 40.364 1.00 4.55 O ATOM 62 CB PHE A 5 122.134 5.279 43.043 1.00 4.89 C ATOM 63 CG PHE A 5 122.560 5.221 44.497 1.00 5.24 C ATOM 64 CD1 PHE A 5 123.735 4.547 44.852 1.00 5.59 C ATOM 65 CD2 PHE A 5 121.782 5.839 45.487 1.00 5.36 C ATOM 66 CE1 PHE A 5 124.133 4.491 46.193 1.00 6.01 C ATOM 67 CE2 PHE A 5 122.181 5.782 46.828 1.00 5.76 C ATOM 68 CZ PHE A 5 123.357 5.109 47.181 1.00 6.07 C ATOM 0 H PHE A 5 122.007 7.653 42.880 1.00 5.16 H new ATOM 0 HA PHE A 5 124.182 5.893 42.639 1.00 5.00 H new ATOM 0 HB2 PHE A 5 121.164 5.769 42.958 1.00 4.89 H new ATOM 0 HB3 PHE A 5 122.017 4.270 42.648 1.00 4.89 H new ATOM 0 HD1 PHE A 5 124.335 4.070 44.091 1.00 5.59 H new ATOM 0 HD2 PHE A 5 120.875 6.359 45.215 1.00 5.36 H new ATOM 0 HE1 PHE A 5 125.039 3.971 46.466 1.00 6.01 H new ATOM 0 HE2 PHE A 5 121.581 6.257 47.590 1.00 5.76 H new ATOM 0 HZ PHE A 5 123.665 5.067 48.215 1.00 6.07 H new ATOM 78 N PHE A 6 122.295 6.228 39.998 1.00 4.56 N ATOM 79 CA PHE A 6 122.090 5.966 38.531 1.00 4.25 C ATOM 80 C PHE A 6 120.718 5.361 38.262 1.00 3.91 C ATOM 81 O PHE A 6 119.763 5.632 38.958 1.00 3.94 O ATOM 82 CB PHE A 6 123.183 5.085 37.905 1.00 4.31 C ATOM 83 CG PHE A 6 122.973 3.589 38.155 1.00 4.35 C ATOM 84 CD1 PHE A 6 122.185 3.095 39.221 1.00 4.57 C ATOM 85 CD2 PHE A 6 123.589 2.680 37.282 1.00 4.48 C ATOM 86 CE1 PHE A 6 122.029 1.714 39.395 1.00 4.72 C ATOM 87 CE2 PHE A 6 123.427 1.301 37.464 1.00 4.63 C ATOM 88 CZ PHE A 6 122.649 0.819 38.519 1.00 4.65 C ATOM 0 H PHE A 6 121.690 6.966 40.359 1.00 4.56 H new ATOM 0 HA PHE A 6 122.155 6.942 38.051 1.00 4.25 H new ATOM 0 HB2 PHE A 6 123.214 5.266 36.831 1.00 4.31 H new ATOM 0 HB3 PHE A 6 124.152 5.381 38.306 1.00 4.31 H new ATOM 0 HD1 PHE A 6 121.704 3.783 39.901 1.00 4.57 H new ATOM 0 HD2 PHE A 6 124.192 3.046 36.464 1.00 4.48 H new ATOM 0 HE1 PHE A 6 121.427 1.339 40.210 1.00 4.72 H new ATOM 0 HE2 PHE A 6 123.905 0.608 36.787 1.00 4.63 H new ATOM 0 HZ PHE A 6 122.527 -0.245 38.658 1.00 4.65 H new ATOM 98 N GLN A 7 120.622 4.584 37.216 1.00 3.67 N ATOM 99 CA GLN A 7 119.315 3.978 36.822 1.00 3.44 C ATOM 100 C GLN A 7 118.595 5.052 36.026 1.00 3.39 C ATOM 101 O GLN A 7 117.538 4.856 35.461 1.00 3.31 O ATOM 102 CB GLN A 7 118.490 3.566 38.062 1.00 3.53 C ATOM 103 CG GLN A 7 117.567 2.393 37.710 1.00 3.71 C ATOM 104 CD GLN A 7 116.647 2.094 38.895 1.00 4.00 C ATOM 105 OE1 GLN A 7 116.013 2.984 39.426 1.00 4.40 O ATOM 106 NE2 GLN A 7 116.546 0.870 39.334 1.00 4.34 N ATOM 0 H GLN A 7 121.405 4.340 36.609 1.00 3.67 H new ATOM 0 HA GLN A 7 119.458 3.068 36.239 1.00 3.44 H new ATOM 0 HB2 GLN A 7 119.158 3.283 38.876 1.00 3.53 H new ATOM 0 HB3 GLN A 7 117.899 4.412 38.414 1.00 3.53 H new ATOM 0 HG2 GLN A 7 116.974 2.635 36.828 1.00 3.71 H new ATOM 0 HG3 GLN A 7 118.159 1.512 37.464 1.00 3.71 H new ATOM 0 HE21 GLN A 7 117.078 0.123 38.888 1.00 4.34 H new ATOM 0 HE22 GLN A 7 115.935 0.660 40.123 1.00 4.34 H new ATOM 115 N PHE A 8 119.219 6.193 35.977 1.00 3.56 N ATOM 116 CA PHE A 8 118.678 7.348 35.223 1.00 3.66 C ATOM 117 C PHE A 8 119.858 8.207 34.809 1.00 3.86 C ATOM 118 O PHE A 8 119.942 8.686 33.697 1.00 3.90 O ATOM 119 CB PHE A 8 117.714 8.149 36.100 1.00 3.88 C ATOM 120 CG PHE A 8 116.958 9.137 35.245 1.00 4.09 C ATOM 121 CD1 PHE A 8 117.577 10.324 34.838 1.00 4.13 C ATOM 122 CD2 PHE A 8 115.638 8.867 34.859 1.00 4.61 C ATOM 123 CE1 PHE A 8 116.878 11.242 34.045 1.00 4.64 C ATOM 124 CE2 PHE A 8 114.939 9.786 34.067 1.00 5.15 C ATOM 125 CZ PHE A 8 115.559 10.973 33.660 1.00 5.15 C ATOM 0 H PHE A 8 120.108 6.375 36.443 1.00 3.56 H new ATOM 0 HA PHE A 8 118.123 7.012 34.347 1.00 3.66 H new ATOM 0 HB2 PHE A 8 117.017 7.477 36.600 1.00 3.88 H new ATOM 0 HB3 PHE A 8 118.266 8.674 36.880 1.00 3.88 H new ATOM 0 HD1 PHE A 8 118.594 10.532 35.136 1.00 4.13 H new ATOM 0 HD2 PHE A 8 115.160 7.951 35.172 1.00 4.61 H new ATOM 0 HE1 PHE A 8 117.356 12.158 33.730 1.00 4.64 H new ATOM 0 HE2 PHE A 8 113.921 9.579 33.770 1.00 5.15 H new ATOM 0 HZ PHE A 8 115.020 11.682 33.049 1.00 5.15 H new ATOM 135 N THR A 9 120.800 8.352 35.687 1.00 4.05 N ATOM 136 CA THR A 9 122.023 9.119 35.349 1.00 4.35 C ATOM 137 C THR A 9 122.941 8.144 34.624 1.00 4.27 C ATOM 138 O THR A 9 124.050 8.461 34.243 1.00 4.54 O ATOM 139 CB THR A 9 122.697 9.621 36.629 1.00 4.71 C ATOM 140 OG1 THR A 9 121.717 10.186 37.489 1.00 4.79 O ATOM 141 CG2 THR A 9 123.742 10.682 36.277 1.00 5.13 C ATOM 0 H THR A 9 120.776 7.970 36.632 1.00 4.05 H new ATOM 0 HA THR A 9 121.794 9.989 34.733 1.00 4.35 H new ATOM 0 HB THR A 9 123.186 8.787 37.133 1.00 4.71 H new ATOM 0 HG1 THR A 9 122.147 10.506 38.309 1.00 4.79 H new ATOM 0 HG21 THR A 9 124.221 11.038 37.189 1.00 5.13 H new ATOM 0 HG22 THR A 9 124.494 10.248 35.618 1.00 5.13 H new ATOM 0 HG23 THR A 9 123.257 11.517 35.772 1.00 5.13 H new ATOM 149 N VAL A 10 122.451 6.940 34.447 1.00 3.98 N ATOM 150 CA VAL A 10 123.228 5.871 33.758 1.00 3.98 C ATOM 151 C VAL A 10 124.014 6.470 32.587 1.00 4.13 C ATOM 152 O VAL A 10 125.074 6.003 32.222 1.00 4.38 O ATOM 153 CB VAL A 10 122.249 4.794 33.250 1.00 3.67 C ATOM 154 CG1 VAL A 10 121.205 5.386 32.257 1.00 3.45 C ATOM 155 CG2 VAL A 10 123.048 3.663 32.583 1.00 3.81 C ATOM 0 H VAL A 10 121.524 6.651 34.760 1.00 3.98 H new ATOM 0 HA VAL A 10 123.936 5.420 34.453 1.00 3.98 H new ATOM 0 HB VAL A 10 121.693 4.401 34.101 1.00 3.67 H new ATOM 0 HG11 VAL A 10 120.533 4.596 31.922 1.00 3.45 H new ATOM 0 HG12 VAL A 10 120.629 6.165 32.756 1.00 3.45 H new ATOM 0 HG13 VAL A 10 121.722 5.812 31.397 1.00 3.45 H new ATOM 0 HG21 VAL A 10 122.362 2.897 32.221 1.00 3.81 H new ATOM 0 HG22 VAL A 10 123.618 4.065 31.745 1.00 3.81 H new ATOM 0 HG23 VAL A 10 123.732 3.223 33.309 1.00 3.81 H new ATOM 165 N GLY A 11 123.485 7.507 32.003 1.00 4.03 N ATOM 166 CA GLY A 11 124.163 8.177 30.846 1.00 4.22 C ATOM 167 C GLY A 11 123.109 8.501 29.778 1.00 3.95 C ATOM 168 O GLY A 11 122.734 9.646 29.621 1.00 4.02 O ATOM 0 H GLY A 11 122.598 7.929 32.278 1.00 4.03 H new ATOM 0 HA2 GLY A 11 124.660 9.090 31.176 1.00 4.22 H new ATOM 0 HA3 GLY A 11 124.933 7.527 30.431 1.00 4.22 H new ATOM 172 N PRO A 12 122.632 7.483 29.090 1.00 3.78 N ATOM 173 CA PRO A 12 121.586 7.655 28.057 1.00 3.70 C ATOM 174 C PRO A 12 120.274 8.045 28.747 1.00 3.49 C ATOM 175 O PRO A 12 119.210 7.581 28.388 1.00 3.54 O ATOM 176 CB PRO A 12 121.475 6.268 27.395 1.00 3.74 C ATOM 177 CG PRO A 12 122.158 5.270 28.360 1.00 3.77 C ATOM 178 CD PRO A 12 123.086 6.091 29.272 1.00 3.85 C ATOM 0 HA PRO A 12 121.811 8.431 27.325 1.00 3.70 H new ATOM 0 HB2 PRO A 12 120.432 5.998 27.231 1.00 3.74 H new ATOM 0 HB3 PRO A 12 121.963 6.262 26.420 1.00 3.74 H new ATOM 0 HG2 PRO A 12 121.415 4.733 28.949 1.00 3.77 H new ATOM 0 HG3 PRO A 12 122.725 4.523 27.805 1.00 3.77 H new ATOM 0 HD2 PRO A 12 123.002 5.777 30.312 1.00 3.85 H new ATOM 0 HD3 PRO A 12 124.131 5.972 28.987 1.00 3.85 H new ATOM 186 N LEU A 13 120.373 8.889 29.746 1.00 3.44 N ATOM 187 CA LEU A 13 119.182 9.364 30.532 1.00 3.29 C ATOM 188 C LEU A 13 118.072 8.310 30.532 1.00 3.00 C ATOM 189 O LEU A 13 116.902 8.622 30.441 1.00 2.85 O ATOM 190 CB LEU A 13 118.650 10.702 29.970 1.00 3.36 C ATOM 191 CG LEU A 13 118.632 10.703 28.420 1.00 3.37 C ATOM 192 CD1 LEU A 13 117.507 11.614 27.916 1.00 3.46 C ATOM 193 CD2 LEU A 13 119.967 11.228 27.866 1.00 3.67 C ATOM 0 H LEU A 13 121.259 9.283 30.062 1.00 3.44 H new ATOM 0 HA LEU A 13 119.504 9.525 31.561 1.00 3.29 H new ATOM 0 HB2 LEU A 13 117.643 10.880 30.346 1.00 3.36 H new ATOM 0 HB3 LEU A 13 119.274 11.521 30.328 1.00 3.36 H new ATOM 0 HG LEU A 13 118.472 9.680 28.080 1.00 3.37 H new ATOM 0 HD11 LEU A 13 117.498 11.612 26.826 1.00 3.46 H new ATOM 0 HD12 LEU A 13 116.549 11.249 28.288 1.00 3.46 H new ATOM 0 HD13 LEU A 13 117.673 12.630 28.275 1.00 3.46 H new ATOM 0 HD21 LEU A 13 119.936 11.222 26.776 1.00 3.67 H new ATOM 0 HD22 LEU A 13 120.132 12.246 28.218 1.00 3.67 H new ATOM 0 HD23 LEU A 13 120.780 10.589 28.210 1.00 3.67 H new ATOM 205 N GLY A 14 118.438 7.061 30.626 1.00 2.97 N ATOM 206 CA GLY A 14 117.418 5.976 30.624 1.00 2.73 C ATOM 207 C GLY A 14 116.781 5.891 29.238 1.00 2.55 C ATOM 208 O GLY A 14 116.464 4.824 28.754 1.00 2.44 O ATOM 0 H GLY A 14 119.405 6.745 30.704 1.00 2.97 H new ATOM 0 HA2 GLY A 14 117.881 5.024 30.884 1.00 2.73 H new ATOM 0 HA3 GLY A 14 116.655 6.176 31.377 1.00 2.73 H new ATOM 212 N GLU A 15 116.575 7.020 28.610 1.00 2.58 N ATOM 213 CA GLU A 15 115.942 7.040 27.265 1.00 2.51 C ATOM 214 C GLU A 15 114.517 6.491 27.370 1.00 2.29 C ATOM 215 O GLU A 15 113.729 6.606 26.457 1.00 2.29 O ATOM 216 CB GLU A 15 116.772 6.200 26.295 1.00 2.63 C ATOM 217 CG GLU A 15 116.418 6.574 24.853 1.00 2.71 C ATOM 218 CD GLU A 15 117.106 5.604 23.891 1.00 2.55 C ATOM 219 OE1 GLU A 15 117.508 4.543 24.339 1.00 2.97 O ATOM 220 OE2 GLU A 15 117.221 5.940 22.724 1.00 2.74 O ATOM 0 H GLU A 15 116.823 7.938 28.980 1.00 2.58 H new ATOM 0 HA GLU A 15 115.900 8.062 26.889 1.00 2.51 H new ATOM 0 HB2 GLU A 15 117.835 6.366 26.473 1.00 2.63 H new ATOM 0 HB3 GLU A 15 116.582 5.140 26.463 1.00 2.63 H new ATOM 0 HG2 GLU A 15 115.338 6.538 24.712 1.00 2.71 H new ATOM 0 HG3 GLU A 15 116.733 7.596 24.643 1.00 2.71 H new ATOM 227 N GLY A 16 114.172 5.919 28.494 1.00 2.21 N ATOM 228 CA GLY A 16 112.795 5.385 28.685 1.00 2.06 C ATOM 229 C GLY A 16 112.713 3.922 28.235 1.00 1.98 C ATOM 230 O GLY A 16 113.653 3.164 28.370 1.00 2.44 O ATOM 0 H GLY A 16 114.793 5.799 29.294 1.00 2.21 H new ATOM 0 HA2 GLY A 16 112.511 5.464 29.734 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.085 5.986 28.117 1.00 2.06 H new ATOM 234 N GLY A 17 111.579 3.518 27.721 1.00 1.81 N ATOM 235 CA GLY A 17 111.405 2.104 27.281 1.00 1.74 C ATOM 236 C GLY A 17 112.280 1.795 26.066 1.00 1.78 C ATOM 237 O GLY A 17 112.354 0.666 25.628 1.00 1.80 O ATOM 0 H GLY A 17 110.761 4.113 27.587 1.00 1.81 H new ATOM 0 HA2 GLY A 17 111.662 1.431 28.099 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.359 1.922 27.035 1.00 1.74 H new ATOM 241 N ALA A 18 112.943 2.770 25.501 1.00 1.84 N ATOM 242 CA ALA A 18 113.800 2.475 24.315 1.00 1.96 C ATOM 243 C ALA A 18 114.675 1.249 24.609 1.00 2.07 C ATOM 244 O ALA A 18 115.288 0.686 23.726 1.00 2.21 O ATOM 245 CB ALA A 18 114.686 3.692 23.998 1.00 2.09 C ATOM 0 H ALA A 18 112.929 3.744 25.804 1.00 1.84 H new ATOM 0 HA ALA A 18 113.168 2.265 23.452 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.310 3.472 23.132 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.056 4.555 23.782 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.321 3.913 24.856 1.00 2.09 H new ATOM 251 N HIS A 19 114.729 0.828 25.846 1.00 2.06 N ATOM 252 CA HIS A 19 115.550 -0.362 26.206 1.00 2.21 C ATOM 253 C HIS A 19 114.658 -1.611 26.257 1.00 2.15 C ATOM 254 O HIS A 19 115.040 -2.670 25.801 1.00 2.33 O ATOM 255 CB HIS A 19 116.191 -0.131 27.577 1.00 2.33 C ATOM 256 CG HIS A 19 116.892 -1.384 28.029 1.00 2.51 C ATOM 257 ND1 HIS A 19 116.371 -2.207 29.016 1.00 2.79 N ATOM 258 CD2 HIS A 19 118.070 -1.969 27.637 1.00 2.86 C ATOM 259 CE1 HIS A 19 117.228 -3.231 29.183 1.00 2.87 C ATOM 260 NE2 HIS A 19 118.281 -3.135 28.367 1.00 2.87 N ATOM 0 H HIS A 19 114.235 1.262 26.626 1.00 2.06 H new ATOM 0 HA HIS A 19 116.328 -0.511 25.457 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.901 0.694 27.522 1.00 2.33 H new ATOM 0 HB3 HIS A 19 115.428 0.152 28.302 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.733 -1.583 26.877 1.00 2.86 H new ATOM 0 HE1 HIS A 19 117.082 -4.033 29.891 1.00 2.87 H new ATOM 0 HE2 HIS A 19 119.070 -3.778 28.294 1.00 2.87 H new ATOM 268 N LYS A 20 113.475 -1.504 26.812 1.00 2.02 N ATOM 269 CA LYS A 20 112.581 -2.699 26.888 1.00 2.01 C ATOM 270 C LYS A 20 111.889 -2.919 25.543 1.00 1.90 C ATOM 271 O LYS A 20 111.487 -4.019 25.220 1.00 1.96 O ATOM 272 CB LYS A 20 111.529 -2.501 27.995 1.00 1.99 C ATOM 273 CG LYS A 20 110.568 -1.335 27.646 1.00 1.81 C ATOM 274 CD LYS A 20 109.251 -1.871 27.048 1.00 1.74 C ATOM 275 CE LYS A 20 108.521 -0.754 26.278 1.00 1.58 C ATOM 276 NZ LYS A 20 107.049 -0.939 26.419 1.00 1.94 N ATOM 0 H LYS A 20 113.093 -0.647 27.213 1.00 2.02 H new ATOM 0 HA LYS A 20 113.183 -3.577 27.125 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.958 -3.420 28.128 1.00 1.99 H new ATOM 0 HB3 LYS A 20 112.027 -2.295 28.942 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.355 -0.753 28.542 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.048 -0.662 26.935 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.460 -2.706 26.380 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.611 -2.252 27.844 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.815 0.222 26.664 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.803 -0.778 25.225 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 106.572 -0.022 26.309 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 106.710 -1.596 25.687 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.837 -1.329 27.359 1.00 1.94 H new ATOM 290 N VAL A 21 111.745 -1.893 24.750 1.00 1.80 N ATOM 291 CA VAL A 21 111.077 -2.081 23.433 1.00 1.71 C ATOM 292 C VAL A 21 111.974 -2.937 22.540 1.00 1.76 C ATOM 293 O VAL A 21 113.072 -2.560 22.184 1.00 1.81 O ATOM 294 CB VAL A 21 110.794 -0.711 22.786 1.00 1.64 C ATOM 295 CG1 VAL A 21 112.069 -0.133 22.161 1.00 2.07 C ATOM 296 CG2 VAL A 21 109.721 -0.870 21.702 1.00 1.75 C ATOM 0 H VAL A 21 112.057 -0.944 24.954 1.00 1.80 H new ATOM 0 HA VAL A 21 110.123 -2.590 23.567 1.00 1.71 H new ATOM 0 HB VAL A 21 110.443 -0.027 23.558 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.847 0.834 21.710 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.828 -0.008 22.933 1.00 2.07 H new ATOM 0 HG13 VAL A 21 112.440 -0.814 21.395 1.00 2.07 H new ATOM 0 HG21 VAL A 21 109.520 0.098 21.244 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.073 -1.566 20.940 1.00 1.75 H new ATOM 0 HG23 VAL A 21 108.805 -1.256 22.150 1.00 1.75 H new ATOM 306 N ARG A 22 111.509 -4.103 22.198 1.00 1.78 N ATOM 307 CA ARG A 22 112.309 -5.024 21.346 1.00 1.85 C ATOM 308 C ARG A 22 111.850 -4.900 19.891 1.00 1.74 C ATOM 309 O ARG A 22 110.671 -4.867 19.599 1.00 1.66 O ATOM 310 CB ARG A 22 112.076 -6.453 21.847 1.00 1.96 C ATOM 311 CG ARG A 22 112.940 -7.465 21.063 1.00 2.03 C ATOM 312 CD ARG A 22 114.329 -7.583 21.704 1.00 2.18 C ATOM 313 NE ARG A 22 114.247 -8.448 22.914 1.00 2.75 N ATOM 314 CZ ARG A 22 115.336 -8.938 23.440 1.00 3.10 C ATOM 315 NH1 ARG A 22 116.496 -8.673 22.904 1.00 3.50 N ATOM 316 NH2 ARG A 22 115.265 -9.694 24.502 1.00 3.33 N ATOM 0 H ARG A 22 110.596 -4.463 22.476 1.00 1.78 H new ATOM 0 HA ARG A 22 113.369 -4.775 21.401 1.00 1.85 H new ATOM 0 HB2 ARG A 22 112.314 -6.513 22.909 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.022 -6.711 21.742 1.00 1.96 H new ATOM 0 HG2 ARG A 22 112.452 -8.440 21.052 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.036 -7.145 20.025 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.036 -8.005 20.990 1.00 2.18 H new ATOM 0 HD3 ARG A 22 114.701 -6.595 21.975 1.00 2.18 H new ATOM 0 HE ARG A 22 113.340 -8.657 23.331 1.00 2.75 H new ATOM 0 HH11 ARG A 22 116.551 -8.083 22.074 1.00 3.50 H new ATOM 0 HH12 ARG A 22 117.347 -9.056 23.315 1.00 3.50 H new ATOM 0 HH21 ARG A 22 114.358 -9.902 24.921 1.00 3.33 H new ATOM 0 HH22 ARG A 22 116.116 -10.077 24.913 1.00 3.33 H new ATOM 330 N ALA A 23 112.781 -4.841 18.978 1.00 1.77 N ATOM 331 CA ALA A 23 112.423 -4.731 17.534 1.00 1.68 C ATOM 332 C ALA A 23 113.485 -5.459 16.709 1.00 1.77 C ATOM 333 O ALA A 23 114.629 -5.055 16.658 1.00 1.83 O ATOM 334 CB ALA A 23 112.381 -3.257 17.126 1.00 1.59 C ATOM 0 H ALA A 23 113.782 -4.864 19.172 1.00 1.77 H new ATOM 0 HA ALA A 23 111.444 -5.177 17.359 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.119 -3.179 16.071 1.00 1.59 H new ATOM 0 HB2 ALA A 23 111.635 -2.735 17.725 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.359 -2.806 17.292 1.00 1.59 H new ATOM 340 N GLY A 24 113.118 -6.534 16.069 1.00 1.80 N ATOM 341 CA GLY A 24 114.111 -7.290 15.257 1.00 1.90 C ATOM 342 C GLY A 24 113.380 -8.217 14.287 1.00 1.86 C ATOM 343 O GLY A 24 112.424 -8.876 14.645 1.00 1.86 O ATOM 0 H GLY A 24 112.174 -6.921 16.073 1.00 1.80 H new ATOM 0 HA2 GLY A 24 114.747 -6.598 14.705 1.00 1.90 H new ATOM 0 HA3 GLY A 24 114.763 -7.871 15.910 1.00 1.90 H new ATOM 347 N GLY A 25 113.821 -8.276 13.060 1.00 1.85 N ATOM 348 CA GLY A 25 113.147 -9.164 12.071 1.00 1.84 C ATOM 349 C GLY A 25 113.878 -9.089 10.730 1.00 1.84 C ATOM 350 O GLY A 25 114.784 -8.302 10.547 1.00 1.84 O ATOM 0 H GLY A 25 114.617 -7.749 12.700 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.140 -10.191 12.435 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.107 -8.863 11.947 1.00 1.84 H new ATOM 354 N THR A 26 113.488 -9.906 9.790 1.00 1.86 N ATOM 355 CA THR A 26 114.156 -9.888 8.458 1.00 1.87 C ATOM 356 C THR A 26 113.656 -8.689 7.649 1.00 1.75 C ATOM 357 O THR A 26 114.277 -8.272 6.689 1.00 1.76 O ATOM 358 CB THR A 26 113.821 -11.176 7.707 1.00 1.96 C ATOM 359 OG1 THR A 26 114.053 -12.291 8.557 1.00 2.31 O ATOM 360 CG2 THR A 26 114.701 -11.287 6.462 1.00 2.29 C ATOM 0 H THR A 26 112.734 -10.586 9.887 1.00 1.86 H new ATOM 0 HA THR A 26 115.235 -9.810 8.595 1.00 1.87 H new ATOM 0 HB THR A 26 112.773 -11.160 7.406 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.837 -13.118 8.078 1.00 2.31 H new ATOM 0 HG21 THR A 26 114.461 -12.206 5.927 1.00 2.29 H new ATOM 0 HG22 THR A 26 114.521 -10.431 5.811 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.750 -11.303 6.758 1.00 2.29 H new ATOM 368 N GLY A 27 112.539 -8.131 8.029 1.00 1.64 N ATOM 369 CA GLY A 27 112.000 -6.964 7.282 1.00 1.54 C ATOM 370 C GLY A 27 112.844 -5.733 7.593 1.00 1.50 C ATOM 371 O GLY A 27 112.848 -4.765 6.859 1.00 1.46 O ATOM 0 H GLY A 27 111.978 -8.434 8.825 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.012 -7.166 6.211 1.00 1.54 H new ATOM 0 HA3 GLY A 27 110.961 -6.787 7.561 1.00 1.54 H new ATOM 375 N LEU A 28 113.561 -5.764 8.681 1.00 1.57 N ATOM 376 CA LEU A 28 114.413 -4.600 9.054 1.00 1.59 C ATOM 377 C LEU A 28 115.791 -4.757 8.416 1.00 1.69 C ATOM 378 O LEU A 28 116.576 -3.830 8.373 1.00 1.83 O ATOM 379 CB LEU A 28 114.573 -4.554 10.576 1.00 1.65 C ATOM 380 CG LEU A 28 113.202 -4.478 11.262 1.00 1.58 C ATOM 381 CD1 LEU A 28 113.402 -4.291 12.769 1.00 1.66 C ATOM 382 CD2 LEU A 28 112.388 -3.298 10.700 1.00 1.61 C ATOM 0 H LEU A 28 113.594 -6.549 9.331 1.00 1.57 H new ATOM 0 HA LEU A 28 113.944 -3.681 8.703 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.108 -5.440 10.918 1.00 1.65 H new ATOM 0 HB3 LEU A 28 115.175 -3.690 10.858 1.00 1.65 H new ATOM 0 HG LEU A 28 112.656 -5.402 11.073 1.00 1.58 H new ATOM 0 HD11 LEU A 28 112.431 -4.236 13.261 1.00 1.66 H new ATOM 0 HD12 LEU A 28 113.964 -5.135 13.169 1.00 1.66 H new ATOM 0 HD13 LEU A 28 113.953 -3.369 12.951 1.00 1.66 H new ATOM 0 HD21 LEU A 28 111.418 -3.256 11.196 1.00 1.61 H new ATOM 0 HD22 LEU A 28 112.927 -2.367 10.878 1.00 1.61 H new ATOM 0 HD23 LEU A 28 112.242 -3.434 9.628 1.00 1.61 H new ATOM 394 N GLU A 29 116.097 -5.926 7.929 1.00 1.73 N ATOM 395 CA GLU A 29 117.430 -6.147 7.303 1.00 1.84 C ATOM 396 C GLU A 29 117.405 -5.694 5.842 1.00 1.75 C ATOM 397 O GLU A 29 118.119 -4.791 5.458 1.00 1.78 O ATOM 398 CB GLU A 29 117.781 -7.633 7.380 1.00 2.00 C ATOM 399 CG GLU A 29 117.771 -8.077 8.845 1.00 2.06 C ATOM 400 CD GLU A 29 118.461 -9.437 8.973 1.00 1.98 C ATOM 401 OE1 GLU A 29 118.372 -10.215 8.038 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.067 -9.677 10.005 1.00 2.34 O ATOM 0 H GLU A 29 115.481 -6.739 7.937 1.00 1.73 H new ATOM 0 HA GLU A 29 118.182 -5.566 7.837 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.064 -8.219 6.805 1.00 2.00 H new ATOM 0 HB3 GLU A 29 118.763 -7.810 6.940 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.282 -7.339 9.463 1.00 2.06 H new ATOM 0 HG3 GLU A 29 116.746 -8.142 9.209 1.00 2.06 H new ATOM 409 N ARG A 30 116.597 -6.312 5.018 1.00 1.69 N ATOM 410 CA ARG A 30 116.550 -5.904 3.577 1.00 1.64 C ATOM 411 C ARG A 30 115.148 -6.131 3.005 1.00 1.59 C ATOM 412 O ARG A 30 114.334 -6.830 3.575 1.00 1.61 O ATOM 413 CB ARG A 30 117.548 -6.745 2.774 1.00 1.75 C ATOM 414 CG ARG A 30 118.940 -6.657 3.405 1.00 2.21 C ATOM 415 CD ARG A 30 119.963 -7.314 2.475 1.00 2.47 C ATOM 416 NE ARG A 30 121.224 -7.573 3.224 1.00 2.96 N ATOM 417 CZ ARG A 30 122.116 -8.389 2.735 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.902 -8.979 1.591 1.00 3.77 N ATOM 419 NH2 ARG A 30 123.222 -8.617 3.390 1.00 3.76 N ATOM 0 H ARG A 30 115.972 -7.076 5.276 1.00 1.69 H new ATOM 0 HA ARG A 30 116.804 -4.846 3.507 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.219 -7.784 2.745 1.00 1.75 H new ATOM 0 HB3 ARG A 30 117.585 -6.393 1.743 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.207 -5.615 3.579 1.00 2.21 H new ATOM 0 HG3 ARG A 30 118.943 -7.153 4.376 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.564 -8.248 2.081 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.162 -6.667 1.621 1.00 2.47 H new ATOM 0 HE ARG A 30 121.390 -7.112 4.119 1.00 2.96 H new ATOM 0 HH11 ARG A 30 121.037 -8.802 1.080 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.599 -9.617 1.208 1.00 3.77 H new ATOM 0 HH21 ARG A 30 123.389 -8.157 4.285 1.00 3.76 H new ATOM 0 HH22 ARG A 30 123.919 -9.255 3.007 1.00 3.76 H new ATOM 433 N GLY A 31 114.875 -5.552 1.863 1.00 1.54 N ATOM 434 CA GLY A 31 113.542 -5.729 1.210 1.00 1.52 C ATOM 435 C GLY A 31 113.771 -5.816 -0.297 1.00 1.55 C ATOM 436 O GLY A 31 114.863 -5.566 -0.767 1.00 1.57 O ATOM 0 H GLY A 31 115.526 -4.958 1.350 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.054 -6.633 1.575 1.00 1.52 H new ATOM 0 HA3 GLY A 31 112.885 -4.893 1.449 1.00 1.52 H new ATOM 440 N VAL A 32 112.769 -6.179 -1.066 1.00 1.56 N ATOM 441 CA VAL A 32 112.966 -6.289 -2.552 1.00 1.60 C ATOM 442 C VAL A 32 111.810 -5.616 -3.312 1.00 1.53 C ATOM 443 O VAL A 32 110.690 -5.546 -2.847 1.00 1.50 O ATOM 444 CB VAL A 32 113.066 -7.775 -2.923 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.937 -7.962 -4.440 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.417 -8.331 -2.460 1.00 1.83 C ATOM 0 H VAL A 32 111.831 -6.402 -0.734 1.00 1.56 H new ATOM 0 HA VAL A 32 113.884 -5.775 -2.836 1.00 1.60 H new ATOM 0 HB VAL A 32 112.255 -8.311 -2.430 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.010 -9.022 -4.683 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.972 -7.579 -4.773 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.737 -7.418 -4.943 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.486 -9.386 -2.724 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.223 -7.781 -2.947 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.504 -8.221 -1.379 1.00 1.83 H new ATOM 456 N ALA A 33 112.104 -5.115 -4.487 1.00 1.51 N ATOM 457 CA ALA A 33 111.074 -4.422 -5.330 1.00 1.46 C ATOM 458 C ALA A 33 109.693 -5.094 -5.232 1.00 1.53 C ATOM 459 O ALA A 33 109.478 -6.188 -5.713 1.00 1.64 O ATOM 460 CB ALA A 33 111.545 -4.434 -6.801 1.00 1.51 C ATOM 0 H ALA A 33 113.032 -5.157 -4.907 1.00 1.51 H new ATOM 0 HA ALA A 33 110.968 -3.402 -4.962 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.804 -3.933 -7.424 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.499 -3.913 -6.882 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.664 -5.464 -7.136 1.00 1.51 H new ATOM 466 N GLY A 34 108.751 -4.400 -4.656 1.00 1.46 N ATOM 467 CA GLY A 34 107.359 -4.916 -4.557 1.00 1.52 C ATOM 468 C GLY A 34 107.330 -6.312 -3.950 1.00 1.62 C ATOM 469 O GLY A 34 106.708 -7.209 -4.484 1.00 1.73 O ATOM 0 H GLY A 34 108.892 -3.479 -4.242 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.760 -4.239 -3.947 1.00 1.52 H new ATOM 0 HA3 GLY A 34 106.905 -4.938 -5.548 1.00 1.52 H new ATOM 473 N VAL A 35 107.977 -6.500 -2.831 1.00 1.59 N ATOM 474 CA VAL A 35 107.973 -7.836 -2.162 1.00 1.69 C ATOM 475 C VAL A 35 107.515 -7.638 -0.699 1.00 1.61 C ATOM 476 O VAL A 35 108.291 -7.161 0.105 1.00 1.55 O ATOM 477 CB VAL A 35 109.393 -8.420 -2.199 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.523 -9.568 -1.190 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.677 -8.957 -3.608 1.00 2.19 C ATOM 0 H VAL A 35 108.513 -5.780 -2.347 1.00 1.59 H new ATOM 0 HA VAL A 35 107.297 -8.524 -2.670 1.00 1.69 H new ATOM 0 HB VAL A 35 110.107 -7.637 -1.941 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.535 -9.972 -1.227 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.318 -9.195 -0.186 1.00 2.04 H new ATOM 0 HG13 VAL A 35 108.809 -10.353 -1.438 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.684 -9.373 -3.643 1.00 2.19 H new ATOM 0 HG22 VAL A 35 108.954 -9.735 -3.854 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.595 -8.145 -4.330 1.00 2.19 H new ATOM 489 N PRO A 36 106.273 -7.976 -0.373 1.00 1.67 N ATOM 490 CA PRO A 36 105.775 -7.782 1.001 1.00 1.61 C ATOM 491 C PRO A 36 106.681 -8.495 2.007 1.00 1.61 C ATOM 492 O PRO A 36 107.148 -9.592 1.773 1.00 1.74 O ATOM 493 CB PRO A 36 104.342 -8.364 0.998 1.00 1.76 C ATOM 494 CG PRO A 36 103.988 -8.711 -0.476 1.00 1.96 C ATOM 495 CD PRO A 36 105.282 -8.566 -1.306 1.00 1.85 C ATOM 0 HA PRO A 36 105.771 -6.733 1.299 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.287 -9.253 1.626 1.00 1.76 H new ATOM 0 HB3 PRO A 36 103.633 -7.642 1.404 1.00 1.76 H new ATOM 0 HG2 PRO A 36 103.597 -9.726 -0.548 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.213 -8.043 -0.852 1.00 1.96 H new ATOM 0 HD2 PRO A 36 105.620 -9.532 -1.682 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.125 -7.924 -2.173 1.00 1.85 H new ATOM 503 N ALA A 37 106.933 -7.871 3.129 1.00 1.53 N ATOM 504 CA ALA A 37 107.812 -8.506 4.159 1.00 1.62 C ATOM 505 C ALA A 37 107.340 -8.096 5.554 1.00 1.53 C ATOM 506 O ALA A 37 106.435 -7.299 5.700 1.00 1.52 O ATOM 507 CB ALA A 37 109.259 -8.054 3.939 1.00 1.69 C ATOM 0 H ALA A 37 106.569 -6.951 3.377 1.00 1.53 H new ATOM 0 HA ALA A 37 107.759 -9.591 4.071 1.00 1.62 H new ATOM 0 HB1 ALA A 37 109.902 -8.515 4.688 1.00 1.69 H new ATOM 0 HB2 ALA A 37 109.587 -8.355 2.944 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.319 -6.969 4.028 1.00 1.69 H new ATOM 513 N GLU A 38 107.934 -8.639 6.589 1.00 1.50 N ATOM 514 CA GLU A 38 107.489 -8.272 7.965 1.00 1.45 C ATOM 515 C GLU A 38 108.611 -8.465 8.980 1.00 1.50 C ATOM 516 O GLU A 38 109.598 -9.137 8.740 1.00 1.60 O ATOM 517 CB GLU A 38 106.296 -9.158 8.375 1.00 1.54 C ATOM 518 CG GLU A 38 106.778 -10.564 8.768 1.00 1.68 C ATOM 519 CD GLU A 38 105.611 -11.553 8.693 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.277 -11.961 7.593 1.00 2.23 O ATOM 521 OE2 GLU A 38 105.074 -11.885 9.736 1.00 2.12 O ATOM 0 H GLU A 38 108.699 -9.312 6.540 1.00 1.50 H new ATOM 0 HA GLU A 38 107.201 -7.221 7.955 1.00 1.45 H new ATOM 0 HB2 GLU A 38 105.767 -8.702 9.212 1.00 1.54 H new ATOM 0 HB3 GLU A 38 105.587 -9.228 7.550 1.00 1.54 H new ATOM 0 HG2 GLU A 38 107.580 -10.883 8.102 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.189 -10.548 9.777 1.00 1.68 H new ATOM 528 N PHE A 39 108.423 -7.900 10.139 1.00 1.46 N ATOM 529 CA PHE A 39 109.409 -8.055 11.236 1.00 1.54 C ATOM 530 C PHE A 39 108.621 -8.143 12.536 1.00 1.53 C ATOM 531 O PHE A 39 107.407 -8.221 12.516 1.00 1.50 O ATOM 532 CB PHE A 39 110.416 -6.894 11.272 1.00 1.54 C ATOM 533 CG PHE A 39 109.747 -5.558 11.010 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.225 -5.269 9.744 1.00 1.36 C ATOM 535 CD2 PHE A 39 109.679 -4.596 12.026 1.00 1.34 C ATOM 536 CE1 PHE A 39 108.632 -4.027 9.495 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.089 -3.352 11.774 1.00 1.37 C ATOM 538 CZ PHE A 39 108.563 -3.069 10.509 1.00 1.30 C ATOM 0 H PHE A 39 107.612 -7.328 10.373 1.00 1.46 H new ATOM 0 HA PHE A 39 110.002 -8.957 11.081 1.00 1.54 H new ATOM 0 HB2 PHE A 39 110.908 -6.870 12.245 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.193 -7.064 10.526 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.280 -6.007 8.957 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.082 -4.814 13.004 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.227 -3.809 8.518 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.040 -2.610 12.557 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.104 -2.111 10.317 1.00 1.30 H new ATOM 548 N SER A 40 109.282 -8.169 13.660 1.00 1.60 N ATOM 549 CA SER A 40 108.550 -8.302 14.966 1.00 1.61 C ATOM 550 C SER A 40 108.825 -7.110 15.888 1.00 1.59 C ATOM 551 O SER A 40 109.876 -6.501 15.850 1.00 1.64 O ATOM 552 CB SER A 40 109.018 -9.579 15.662 1.00 1.73 C ATOM 553 OG SER A 40 108.787 -10.691 14.806 1.00 2.37 O ATOM 0 H SER A 40 110.297 -8.104 13.738 1.00 1.60 H new ATOM 0 HA SER A 40 107.480 -8.336 14.759 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.078 -9.507 15.906 1.00 1.73 H new ATOM 0 HB3 SER A 40 108.483 -9.712 16.602 1.00 1.73 H new ATOM 0 HG SER A 40 109.088 -11.512 15.248 1.00 2.37 H new ATOM 559 N ILE A 41 107.879 -6.800 16.741 1.00 1.54 N ATOM 560 CA ILE A 41 108.047 -5.676 17.714 1.00 1.54 C ATOM 561 C ILE A 41 107.407 -6.089 19.042 1.00 1.60 C ATOM 562 O ILE A 41 106.230 -5.883 19.265 1.00 1.65 O ATOM 563 CB ILE A 41 107.354 -4.407 17.200 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.093 -3.879 15.966 1.00 1.47 C ATOM 565 CG2 ILE A 41 107.373 -3.337 18.305 1.00 1.50 C ATOM 566 CD1 ILE A 41 107.313 -2.705 15.367 1.00 1.34 C ATOM 0 H ILE A 41 106.984 -7.286 16.805 1.00 1.54 H new ATOM 0 HA ILE A 41 109.109 -5.466 17.841 1.00 1.54 H new ATOM 0 HB ILE A 41 106.324 -4.639 16.930 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.098 -3.559 16.240 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.201 -4.673 15.227 1.00 1.47 H new ATOM 0 HG21 ILE A 41 106.882 -2.433 17.945 1.00 1.50 H new ATOM 0 HG22 ILE A 41 106.846 -3.711 19.183 1.00 1.50 H new ATOM 0 HG23 ILE A 41 108.405 -3.108 18.572 1.00 1.50 H new ATOM 0 HD11 ILE A 41 107.838 -2.329 14.489 1.00 1.34 H new ATOM 0 HD12 ILE A 41 106.317 -3.040 15.078 1.00 1.34 H new ATOM 0 HD13 ILE A 41 107.228 -1.909 16.107 1.00 1.34 H new ATOM 578 N TRP A 42 108.170 -6.672 19.926 1.00 1.65 N ATOM 579 CA TRP A 42 107.608 -7.098 21.244 1.00 1.71 C ATOM 580 C TRP A 42 107.896 -6.003 22.278 1.00 1.77 C ATOM 581 O TRP A 42 108.950 -5.399 22.278 1.00 1.78 O ATOM 582 CB TRP A 42 108.270 -8.420 21.659 1.00 1.88 C ATOM 583 CG TRP A 42 108.051 -8.680 23.119 1.00 2.08 C ATOM 584 CD1 TRP A 42 106.867 -8.555 23.762 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.019 -9.103 24.123 1.00 2.36 C ATOM 586 NE1 TRP A 42 107.046 -8.874 25.096 1.00 2.89 N ATOM 587 CE2 TRP A 42 108.356 -9.218 25.368 1.00 2.64 C ATOM 588 CE3 TRP A 42 110.394 -9.393 24.075 1.00 3.00 C ATOM 589 CZ2 TRP A 42 109.033 -9.609 26.524 1.00 3.08 C ATOM 590 CZ3 TRP A 42 111.079 -9.787 25.237 1.00 3.68 C ATOM 591 CH2 TRP A 42 110.399 -9.895 26.459 1.00 3.56 C ATOM 0 H TRP A 42 109.161 -6.873 19.794 1.00 1.65 H new ATOM 0 HA TRP A 42 106.530 -7.248 21.176 1.00 1.71 H new ATOM 0 HB2 TRP A 42 107.858 -9.240 21.071 1.00 1.88 H new ATOM 0 HB3 TRP A 42 109.338 -8.381 21.447 1.00 1.88 H new ATOM 0 HD1 TRP A 42 105.934 -8.255 23.308 1.00 2.66 H new ATOM 0 HE1 TRP A 42 106.302 -8.857 25.793 1.00 2.89 H new ATOM 0 HE3 TRP A 42 110.927 -9.312 23.139 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.505 -9.690 27.462 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 112.135 -10.008 25.189 1.00 3.68 H new ATOM 0 HH2 TRP A 42 110.931 -10.199 27.349 1.00 3.56 H new ATOM 602 N THR A 43 106.964 -5.738 23.152 1.00 1.91 N ATOM 603 CA THR A 43 107.186 -4.677 24.174 1.00 2.07 C ATOM 604 C THR A 43 106.194 -4.853 25.326 1.00 1.92 C ATOM 605 O THR A 43 105.005 -4.989 25.116 1.00 2.17 O ATOM 606 CB THR A 43 106.976 -3.304 23.529 1.00 2.42 C ATOM 607 OG1 THR A 43 106.596 -2.368 24.527 1.00 2.72 O ATOM 608 CG2 THR A 43 105.875 -3.397 22.471 1.00 2.89 C ATOM 0 H THR A 43 106.061 -6.209 23.202 1.00 1.91 H new ATOM 0 HA THR A 43 108.203 -4.752 24.560 1.00 2.07 H new ATOM 0 HB THR A 43 107.903 -2.979 23.057 1.00 2.42 H new ATOM 0 HG1 THR A 43 106.309 -1.534 24.101 1.00 2.72 H new ATOM 0 HG21 THR A 43 105.727 -2.419 22.013 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.166 -4.116 21.705 1.00 2.89 H new ATOM 0 HG23 THR A 43 104.946 -3.722 22.940 1.00 2.89 H new ATOM 616 N ARG A 44 106.673 -4.848 26.542 1.00 1.96 N ATOM 617 CA ARG A 44 105.756 -5.013 27.706 1.00 1.92 C ATOM 618 C ARG A 44 106.526 -4.774 29.009 1.00 1.92 C ATOM 619 O ARG A 44 106.878 -5.702 29.709 1.00 2.18 O ATOM 620 CB ARG A 44 105.186 -6.435 27.710 1.00 2.09 C ATOM 621 CG ARG A 44 104.177 -6.579 28.850 1.00 2.62 C ATOM 622 CD ARG A 44 103.384 -7.875 28.668 1.00 3.00 C ATOM 623 NE ARG A 44 102.414 -8.026 29.789 1.00 3.63 N ATOM 624 CZ ARG A 44 101.438 -8.887 29.695 1.00 4.14 C ATOM 625 NH1 ARG A 44 101.314 -9.618 28.621 1.00 4.51 N ATOM 626 NH2 ARG A 44 100.588 -9.019 30.676 1.00 4.63 N ATOM 0 H ARG A 44 107.659 -4.737 26.779 1.00 1.96 H new ATOM 0 HA ARG A 44 104.943 -4.291 27.627 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.704 -6.647 26.755 1.00 2.09 H new ATOM 0 HB3 ARG A 44 105.991 -7.160 27.829 1.00 2.09 H new ATOM 0 HG2 ARG A 44 104.695 -6.588 29.809 1.00 2.62 H new ATOM 0 HG3 ARG A 44 103.500 -5.725 28.861 1.00 2.62 H new ATOM 0 HD2 ARG A 44 102.855 -7.859 27.715 1.00 3.00 H new ATOM 0 HD3 ARG A 44 104.062 -8.728 28.642 1.00 3.00 H new ATOM 0 HE ARG A 44 102.513 -7.457 30.629 1.00 3.63 H new ATOM 0 HH11 ARG A 44 101.980 -9.516 27.855 1.00 4.51 H new ATOM 0 HH12 ARG A 44 100.551 -10.291 28.547 1.00 4.51 H new ATOM 0 HH21 ARG A 44 100.686 -8.449 31.516 1.00 4.63 H new ATOM 0 HH22 ARG A 44 99.825 -9.692 30.603 1.00 4.63 H new ATOM 640 N GLU A 45 106.785 -3.538 29.346 1.00 1.87 N ATOM 641 CA GLU A 45 107.525 -3.253 30.610 1.00 1.94 C ATOM 642 C GLU A 45 107.384 -1.770 30.969 1.00 1.84 C ATOM 643 O GLU A 45 106.950 -1.425 32.050 1.00 1.87 O ATOM 644 CB GLU A 45 109.009 -3.606 30.430 1.00 2.09 C ATOM 645 CG GLU A 45 109.662 -3.808 31.801 1.00 2.37 C ATOM 646 CD GLU A 45 109.176 -5.126 32.408 1.00 2.40 C ATOM 647 OE1 GLU A 45 109.545 -6.167 31.889 1.00 2.73 O ATOM 648 OE2 GLU A 45 108.443 -5.071 33.382 1.00 2.89 O ATOM 0 H GLU A 45 106.517 -2.717 28.803 1.00 1.87 H new ATOM 0 HA GLU A 45 107.108 -3.857 31.416 1.00 1.94 H new ATOM 0 HB2 GLU A 45 109.107 -4.512 29.833 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.519 -2.810 29.887 1.00 2.09 H new ATOM 0 HG2 GLU A 45 110.747 -3.820 31.701 1.00 2.37 H new ATOM 0 HG3 GLU A 45 109.412 -2.977 32.461 1.00 2.37 H new ATOM 655 N ALA A 46 107.741 -0.890 30.073 1.00 1.74 N ATOM 656 CA ALA A 46 107.620 0.564 30.372 1.00 1.71 C ATOM 657 C ALA A 46 106.166 0.884 30.703 1.00 1.64 C ATOM 658 O ALA A 46 105.852 1.370 31.772 1.00 1.71 O ATOM 659 CB ALA A 46 108.050 1.380 29.151 1.00 1.66 C ATOM 0 H ALA A 46 108.110 -1.115 29.149 1.00 1.74 H new ATOM 0 HA ALA A 46 108.260 0.816 31.218 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.960 2.443 29.374 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.086 1.147 28.904 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.411 1.131 28.304 1.00 1.66 H new ATOM 665 N GLY A 47 105.274 0.611 29.790 1.00 1.60 N ATOM 666 CA GLY A 47 103.829 0.892 30.033 1.00 1.58 C ATOM 667 C GLY A 47 103.188 1.392 28.737 1.00 1.42 C ATOM 668 O GLY A 47 103.711 1.191 27.661 1.00 1.37 O ATOM 0 H GLY A 47 105.485 0.202 28.880 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.324 -0.010 30.378 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.719 1.639 30.819 1.00 1.58 H new ATOM 672 N ALA A 48 102.062 2.046 28.832 1.00 1.40 N ATOM 673 CA ALA A 48 101.394 2.563 27.603 1.00 1.27 C ATOM 674 C ALA A 48 102.286 3.618 26.946 1.00 1.21 C ATOM 675 O ALA A 48 103.203 4.132 27.555 1.00 1.37 O ATOM 676 CB ALA A 48 100.051 3.193 27.977 1.00 1.32 C ATOM 0 H ALA A 48 101.576 2.245 29.707 1.00 1.40 H new ATOM 0 HA ALA A 48 101.227 1.741 26.907 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.563 3.571 27.078 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.415 2.442 28.447 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.216 4.015 28.673 1.00 1.32 H new ATOM 682 N GLY A 49 102.029 3.945 25.709 1.00 1.04 N ATOM 683 CA GLY A 49 102.870 4.969 25.023 1.00 1.02 C ATOM 684 C GLY A 49 102.462 5.071 23.552 1.00 0.87 C ATOM 685 O GLY A 49 101.586 4.366 23.093 1.00 0.71 O ATOM 0 H GLY A 49 101.277 3.550 25.145 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.752 5.937 25.511 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.923 4.699 25.100 1.00 1.02 H new ATOM 689 N GLY A 50 103.095 5.951 22.812 1.00 0.98 N ATOM 690 CA GLY A 50 102.761 6.123 21.361 1.00 0.86 C ATOM 691 C GLY A 50 103.978 5.764 20.506 1.00 0.86 C ATOM 692 O GLY A 50 105.054 6.301 20.683 1.00 1.06 O ATOM 0 H GLY A 50 103.836 6.563 23.155 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.917 5.487 21.094 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.459 7.152 21.167 1.00 0.86 H new ATOM 696 N LEU A 51 103.814 4.863 19.572 1.00 0.74 N ATOM 697 CA LEU A 51 104.954 4.464 18.689 1.00 0.75 C ATOM 698 C LEU A 51 104.825 5.202 17.365 1.00 0.68 C ATOM 699 O LEU A 51 104.050 4.820 16.522 1.00 0.60 O ATOM 700 CB LEU A 51 104.894 2.950 18.441 1.00 0.74 C ATOM 701 CG LEU A 51 106.157 2.474 17.691 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.312 2.253 18.676 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.859 1.152 16.974 1.00 0.77 C ATOM 0 H LEU A 51 102.935 4.383 19.381 1.00 0.74 H new ATOM 0 HA LEU A 51 105.903 4.715 19.162 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.808 2.423 19.391 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.005 2.706 17.860 1.00 0.74 H new ATOM 0 HG LEU A 51 106.441 3.239 16.968 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.195 1.918 18.132 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.536 3.188 19.190 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.027 1.496 19.407 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.751 0.816 16.445 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.566 0.399 17.706 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.048 1.300 16.261 1.00 0.77 H new ATOM 715 N SER A 52 105.586 6.254 17.183 1.00 0.75 N ATOM 716 CA SER A 52 105.524 7.033 15.911 1.00 0.71 C ATOM 717 C SER A 52 106.513 6.426 14.916 1.00 0.70 C ATOM 718 O SER A 52 107.599 6.030 15.298 1.00 0.78 O ATOM 719 CB SER A 52 105.903 8.487 16.193 1.00 0.82 C ATOM 720 OG SER A 52 104.813 9.139 16.831 1.00 1.56 O ATOM 0 H SER A 52 106.253 6.608 17.869 1.00 0.75 H new ATOM 0 HA SER A 52 104.517 6.998 15.496 1.00 0.71 H new ATOM 0 HB2 SER A 52 106.788 8.528 16.827 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.153 8.997 15.263 1.00 0.82 H new ATOM 0 HG SER A 52 105.052 10.071 17.015 1.00 1.56 H new ATOM 726 N ILE A 53 106.158 6.338 13.645 1.00 0.61 N ATOM 727 CA ILE A 53 107.098 5.746 12.643 1.00 0.61 C ATOM 728 C ILE A 53 107.176 6.660 11.420 1.00 0.57 C ATOM 729 O ILE A 53 106.251 6.745 10.636 1.00 0.65 O ATOM 730 CB ILE A 53 106.583 4.371 12.214 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.532 3.444 13.431 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.522 3.779 11.162 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.760 2.173 13.072 1.00 0.64 C ATOM 0 H ILE A 53 105.263 6.650 13.268 1.00 0.61 H new ATOM 0 HA ILE A 53 108.088 5.643 13.088 1.00 0.61 H new ATOM 0 HB ILE A 53 105.583 4.473 11.792 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.543 3.190 13.751 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.051 3.951 14.268 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.155 2.799 10.857 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.560 4.439 10.295 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.522 3.676 11.583 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.723 1.513 13.938 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.745 2.436 12.773 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.260 1.664 12.248 1.00 0.64 H new ATOM 745 N ALA A 54 108.278 7.342 11.247 1.00 0.60 N ATOM 746 CA ALA A 54 108.432 8.250 10.074 1.00 0.57 C ATOM 747 C ALA A 54 109.229 7.528 8.990 1.00 0.54 C ATOM 748 O ALA A 54 110.426 7.344 9.103 1.00 0.63 O ATOM 749 CB ALA A 54 109.183 9.512 10.504 1.00 0.69 C ATOM 0 H ALA A 54 109.083 7.308 11.873 1.00 0.60 H new ATOM 0 HA ALA A 54 107.451 8.527 9.688 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.297 10.177 9.648 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.621 10.021 11.287 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.167 9.238 10.884 1.00 0.69 H new ATOM 755 N VAL A 55 108.570 7.112 7.942 1.00 0.45 N ATOM 756 CA VAL A 55 109.271 6.393 6.836 1.00 0.47 C ATOM 757 C VAL A 55 109.556 7.371 5.694 1.00 0.41 C ATOM 758 O VAL A 55 108.748 8.219 5.369 1.00 0.39 O ATOM 759 CB VAL A 55 108.375 5.250 6.314 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.664 3.957 7.087 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.899 5.627 6.498 1.00 0.79 C ATOM 0 H VAL A 55 107.568 7.240 7.803 1.00 0.45 H new ATOM 0 HA VAL A 55 110.208 5.981 7.210 1.00 0.47 H new ATOM 0 HB VAL A 55 108.587 5.092 5.257 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.026 3.158 6.710 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.710 3.680 6.954 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.462 4.114 8.147 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.268 4.818 6.129 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.695 5.792 7.556 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.684 6.539 5.940 1.00 0.79 H new ATOM 771 N GLU A 56 110.694 7.239 5.069 1.00 0.44 N ATOM 772 CA GLU A 56 111.041 8.133 3.926 1.00 0.40 C ATOM 773 C GLU A 56 111.778 7.299 2.869 1.00 0.43 C ATOM 774 O GLU A 56 112.530 6.399 3.184 1.00 0.52 O ATOM 775 CB GLU A 56 111.902 9.312 4.437 1.00 0.47 C ATOM 776 CG GLU A 56 112.836 9.832 3.334 1.00 0.49 C ATOM 777 CD GLU A 56 113.433 11.175 3.758 1.00 1.08 C ATOM 778 OE1 GLU A 56 113.665 11.351 4.943 1.00 1.80 O ATOM 779 OE2 GLU A 56 113.650 12.005 2.891 1.00 1.71 O ATOM 0 H GLU A 56 111.404 6.545 5.303 1.00 0.44 H new ATOM 0 HA GLU A 56 110.145 8.557 3.472 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.254 10.119 4.779 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.491 8.991 5.296 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.632 9.111 3.148 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.285 9.946 2.401 1.00 0.49 H new ATOM 786 N GLY A 57 111.552 7.582 1.617 1.00 0.41 N ATOM 787 CA GLY A 57 112.224 6.799 0.543 1.00 0.49 C ATOM 788 C GLY A 57 111.535 7.072 -0.802 1.00 0.45 C ATOM 789 O GLY A 57 110.669 7.919 -0.882 1.00 0.44 O ATOM 0 H GLY A 57 110.931 8.322 1.291 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.278 7.072 0.485 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.183 5.735 0.775 1.00 0.49 H new ATOM 793 N PRO A 58 111.946 6.355 -1.827 1.00 0.50 N ATOM 794 CA PRO A 58 111.375 6.524 -3.181 1.00 0.52 C ATOM 795 C PRO A 58 109.865 6.290 -3.198 1.00 0.54 C ATOM 796 O PRO A 58 109.165 6.817 -4.040 1.00 0.56 O ATOM 797 CB PRO A 58 112.104 5.485 -4.050 1.00 0.63 C ATOM 798 CG PRO A 58 113.235 4.861 -3.183 1.00 0.66 C ATOM 799 CD PRO A 58 113.013 5.335 -1.731 1.00 0.60 C ATOM 0 HA PRO A 58 111.513 7.541 -3.547 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.411 4.715 -4.389 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.519 5.955 -4.942 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.208 3.773 -3.241 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.214 5.175 -3.544 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.714 4.509 -1.086 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.925 5.755 -1.308 1.00 0.60 H new ATOM 807 N SER A 59 109.353 5.513 -2.291 1.00 0.56 N ATOM 808 CA SER A 59 107.874 5.259 -2.276 1.00 0.60 C ATOM 809 C SER A 59 107.368 5.156 -0.836 1.00 0.55 C ATOM 810 O SER A 59 108.136 5.111 0.102 1.00 0.55 O ATOM 811 CB SER A 59 107.577 3.958 -3.023 1.00 0.71 C ATOM 812 OG SER A 59 108.402 3.889 -4.179 1.00 1.55 O ATOM 0 H SER A 59 109.884 5.041 -1.559 1.00 0.56 H new ATOM 0 HA SER A 59 107.364 6.088 -2.766 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.764 3.101 -2.376 1.00 0.71 H new ATOM 0 HB3 SER A 59 106.526 3.919 -3.308 1.00 0.71 H new ATOM 0 HG SER A 59 107.873 3.569 -4.940 1.00 1.55 H new ATOM 818 N LYS A 60 106.073 5.124 -0.658 1.00 0.59 N ATOM 819 CA LYS A 60 105.497 5.027 0.716 1.00 0.57 C ATOM 820 C LYS A 60 105.317 3.554 1.088 1.00 0.63 C ATOM 821 O LYS A 60 104.367 2.915 0.680 1.00 0.73 O ATOM 822 CB LYS A 60 104.133 5.725 0.750 1.00 0.63 C ATOM 823 CG LYS A 60 104.228 7.091 0.056 1.00 1.23 C ATOM 824 CD LYS A 60 102.854 7.790 0.066 1.00 1.29 C ATOM 825 CE LYS A 60 102.663 8.570 1.374 1.00 1.87 C ATOM 826 NZ LYS A 60 101.254 9.047 1.465 1.00 2.53 N ATOM 0 H LYS A 60 105.385 5.161 -1.410 1.00 0.59 H new ATOM 0 HA LYS A 60 106.171 5.507 1.426 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.386 5.106 0.253 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.806 5.853 1.782 1.00 0.63 H new ATOM 0 HG2 LYS A 60 104.965 7.714 0.563 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.571 6.962 -0.971 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.777 8.468 -0.784 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.061 7.050 -0.043 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.899 7.934 2.227 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.348 9.417 1.409 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.123 9.576 2.351 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.045 9.668 0.657 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.610 8.231 1.451 1.00 2.53 H new ATOM 840 N ALA A 61 106.218 3.008 1.857 1.00 0.66 N ATOM 841 CA ALA A 61 106.089 1.576 2.247 1.00 0.76 C ATOM 842 C ALA A 61 104.820 1.383 3.079 1.00 0.77 C ATOM 843 O ALA A 61 104.453 2.225 3.876 1.00 0.78 O ATOM 844 CB ALA A 61 107.309 1.158 3.070 1.00 0.82 C ATOM 0 H ALA A 61 107.036 3.490 2.231 1.00 0.66 H new ATOM 0 HA ALA A 61 106.029 0.961 1.349 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.214 0.110 3.355 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.212 1.292 2.475 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.371 1.774 3.967 1.00 0.82 H new ATOM 850 N GLU A 62 104.145 0.280 2.899 1.00 0.88 N ATOM 851 CA GLU A 62 102.897 0.029 3.678 1.00 0.93 C ATOM 852 C GLU A 62 103.266 -0.485 5.072 1.00 0.96 C ATOM 853 O GLU A 62 104.406 -0.763 5.349 1.00 1.43 O ATOM 854 CB GLU A 62 102.048 -1.016 2.944 1.00 1.11 C ATOM 855 CG GLU A 62 100.627 -1.046 3.520 1.00 1.50 C ATOM 856 CD GLU A 62 99.710 -1.815 2.567 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.216 -1.207 1.632 1.00 2.30 O ATOM 858 OE2 GLU A 62 99.518 -2.999 2.789 1.00 2.14 O ATOM 0 H GLU A 62 104.404 -0.459 2.246 1.00 0.88 H new ATOM 0 HA GLU A 62 102.327 0.953 3.776 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.012 -0.783 1.880 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.507 -2.000 3.039 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.630 -1.520 4.501 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.257 -0.030 3.658 1.00 1.50 H new ATOM 865 N ILE A 63 102.305 -0.607 5.948 1.00 0.97 N ATOM 866 CA ILE A 63 102.578 -1.100 7.335 1.00 0.94 C ATOM 867 C ILE A 63 101.331 -1.833 7.830 1.00 1.01 C ATOM 868 O ILE A 63 100.225 -1.407 7.565 1.00 1.06 O ATOM 869 CB ILE A 63 102.863 0.093 8.258 1.00 0.89 C ATOM 870 CG1 ILE A 63 103.947 0.982 7.634 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.338 -0.417 9.621 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.382 2.057 8.635 1.00 1.40 C ATOM 0 H ILE A 63 101.328 -0.383 5.761 1.00 0.97 H new ATOM 0 HA ILE A 63 103.441 -1.766 7.336 1.00 0.94 H new ATOM 0 HB ILE A 63 101.951 0.676 8.387 1.00 0.89 H new ATOM 0 HG12 ILE A 63 104.805 0.375 7.344 1.00 1.06 H new ATOM 0 HG13 ILE A 63 103.567 1.451 6.726 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.540 0.430 10.276 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.564 -1.043 10.065 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.249 -1.002 9.493 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.152 2.684 8.184 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.524 2.673 8.903 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.781 1.580 9.530 1.00 1.40 H new ATOM 884 N ALA A 64 101.470 -2.928 8.549 1.00 1.04 N ATOM 885 CA ALA A 64 100.243 -3.632 9.029 1.00 1.13 C ATOM 886 C ALA A 64 100.530 -4.359 10.347 1.00 1.14 C ATOM 887 O ALA A 64 101.267 -5.319 10.382 1.00 1.36 O ATOM 888 CB ALA A 64 99.788 -4.639 7.968 1.00 1.26 C ATOM 0 H ALA A 64 102.358 -3.352 8.816 1.00 1.04 H new ATOM 0 HA ALA A 64 99.454 -2.900 9.200 1.00 1.13 H new ATOM 0 HB1 ALA A 64 98.893 -5.154 8.316 1.00 1.26 H new ATOM 0 HB2 ALA A 64 99.567 -4.114 7.039 1.00 1.26 H new ATOM 0 HB3 ALA A 64 100.581 -5.367 7.793 1.00 1.26 H new ATOM 894 N PHE A 65 99.934 -3.913 11.424 1.00 1.16 N ATOM 895 CA PHE A 65 100.157 -4.569 12.748 1.00 1.16 C ATOM 896 C PHE A 65 99.194 -5.745 12.924 1.00 1.28 C ATOM 897 O PHE A 65 97.991 -5.596 12.849 1.00 1.35 O ATOM 898 CB PHE A 65 99.918 -3.549 13.863 1.00 1.11 C ATOM 899 CG PHE A 65 98.472 -3.116 13.851 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.061 -2.068 13.019 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.541 -3.764 14.672 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.720 -1.668 13.008 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.200 -3.363 14.662 1.00 1.43 C ATOM 904 CZ PHE A 65 95.789 -2.315 13.829 1.00 1.47 C ATOM 0 H PHE A 65 99.298 -3.116 11.442 1.00 1.16 H new ATOM 0 HA PHE A 65 101.181 -4.938 12.794 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.169 -3.986 14.829 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.568 -2.685 13.725 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.779 -1.568 12.386 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.858 -4.573 15.313 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.403 -0.860 12.366 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.482 -3.862 15.297 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.754 -2.006 13.820 1.00 1.47 H new ATOM 914 N GLU A 66 99.724 -6.917 13.168 1.00 1.35 N ATOM 915 CA GLU A 66 98.861 -8.121 13.364 1.00 1.50 C ATOM 916 C GLU A 66 99.461 -8.991 14.471 1.00 1.54 C ATOM 917 O GLU A 66 100.580 -9.454 14.371 1.00 1.61 O ATOM 918 CB GLU A 66 98.800 -8.923 12.062 1.00 1.62 C ATOM 919 CG GLU A 66 97.842 -10.104 12.235 1.00 1.80 C ATOM 920 CD GLU A 66 97.690 -10.837 10.901 1.00 1.94 C ATOM 921 OE1 GLU A 66 98.559 -11.631 10.582 1.00 2.51 O ATOM 922 OE2 GLU A 66 96.706 -10.592 10.223 1.00 2.01 O ATOM 0 H GLU A 66 100.726 -7.092 13.240 1.00 1.35 H new ATOM 0 HA GLU A 66 97.854 -7.811 13.644 1.00 1.50 H new ATOM 0 HB2 GLU A 66 98.464 -8.285 11.245 1.00 1.62 H new ATOM 0 HB3 GLU A 66 99.794 -9.283 11.797 1.00 1.62 H new ATOM 0 HG2 GLU A 66 98.222 -10.786 12.996 1.00 1.80 H new ATOM 0 HG3 GLU A 66 96.871 -9.750 12.581 1.00 1.80 H new ATOM 929 N ASP A 67 98.730 -9.213 15.529 1.00 1.56 N ATOM 930 CA ASP A 67 99.264 -10.048 16.642 1.00 1.64 C ATOM 931 C ASP A 67 99.270 -11.519 16.223 1.00 1.84 C ATOM 932 O ASP A 67 98.233 -12.119 16.018 1.00 2.03 O ATOM 933 CB ASP A 67 98.378 -9.875 17.877 1.00 1.66 C ATOM 934 CG ASP A 67 96.954 -10.329 17.551 1.00 1.66 C ATOM 935 OD1 ASP A 67 96.179 -9.503 17.099 1.00 1.95 O ATOM 936 OD2 ASP A 67 96.664 -11.496 17.758 1.00 2.07 O ATOM 0 H ASP A 67 97.786 -8.852 15.671 1.00 1.56 H new ATOM 0 HA ASP A 67 100.281 -9.734 16.875 1.00 1.64 H new ATOM 0 HB2 ASP A 67 98.776 -10.458 18.708 1.00 1.66 H new ATOM 0 HB3 ASP A 67 98.375 -8.832 18.192 1.00 1.66 H new ATOM 941 N ARG A 68 100.436 -12.104 16.093 1.00 1.89 N ATOM 942 CA ARG A 68 100.534 -13.542 15.686 1.00 2.13 C ATOM 943 C ARG A 68 100.987 -14.382 16.884 1.00 2.20 C ATOM 944 O ARG A 68 100.907 -15.595 16.865 1.00 2.42 O ATOM 945 CB ARG A 68 101.559 -13.676 14.555 1.00 2.38 C ATOM 946 CG ARG A 68 101.403 -15.041 13.880 1.00 2.81 C ATOM 947 CD ARG A 68 102.441 -15.181 12.765 1.00 3.07 C ATOM 948 NE ARG A 68 103.804 -15.259 13.362 1.00 3.54 N ATOM 949 CZ ARG A 68 104.808 -15.680 12.643 1.00 4.11 C ATOM 950 NH1 ARG A 68 104.619 -16.034 11.401 1.00 4.63 N ATOM 951 NH2 ARG A 68 106.001 -15.748 13.166 1.00 4.56 N ATOM 0 H ARG A 68 101.332 -11.643 16.253 1.00 1.89 H new ATOM 0 HA ARG A 68 99.560 -13.893 15.344 1.00 2.13 H new ATOM 0 HB2 ARG A 68 101.416 -12.879 13.825 1.00 2.38 H new ATOM 0 HB3 ARG A 68 102.569 -13.568 14.951 1.00 2.38 H new ATOM 0 HG2 ARG A 68 101.531 -15.838 14.613 1.00 2.81 H new ATOM 0 HG3 ARG A 68 100.398 -15.143 13.471 1.00 2.81 H new ATOM 0 HD2 ARG A 68 102.239 -16.075 12.176 1.00 3.07 H new ATOM 0 HD3 ARG A 68 102.378 -14.331 12.086 1.00 3.07 H new ATOM 0 HE ARG A 68 103.952 -14.983 14.333 1.00 3.54 H new ATOM 0 HH11 ARG A 68 103.686 -15.982 10.992 1.00 4.63 H new ATOM 0 HH12 ARG A 68 105.404 -16.363 10.839 1.00 4.63 H new ATOM 0 HH21 ARG A 68 106.149 -15.472 14.137 1.00 4.56 H new ATOM 0 HH22 ARG A 68 106.786 -16.077 12.604 1.00 4.56 H new ATOM 965 N LYS A 69 101.463 -13.743 17.927 1.00 2.12 N ATOM 966 CA LYS A 69 101.930 -14.488 19.141 1.00 2.31 C ATOM 967 C LYS A 69 101.154 -14.002 20.364 1.00 2.26 C ATOM 968 O LYS A 69 101.326 -14.505 21.455 1.00 2.46 O ATOM 969 CB LYS A 69 103.421 -14.216 19.358 1.00 2.41 C ATOM 970 CG LYS A 69 104.190 -14.468 18.053 1.00 2.56 C ATOM 971 CD LYS A 69 105.693 -14.645 18.349 1.00 2.70 C ATOM 972 CE LYS A 69 106.000 -16.110 18.695 1.00 3.11 C ATOM 973 NZ LYS A 69 106.148 -16.896 17.438 1.00 3.49 N ATOM 0 H LYS A 69 101.549 -12.729 17.990 1.00 2.12 H new ATOM 0 HA LYS A 69 101.764 -15.556 18.999 1.00 2.31 H new ATOM 0 HB2 LYS A 69 103.569 -13.187 19.685 1.00 2.41 H new ATOM 0 HB3 LYS A 69 103.806 -14.860 20.148 1.00 2.41 H new ATOM 0 HG2 LYS A 69 103.801 -15.359 17.559 1.00 2.56 H new ATOM 0 HG3 LYS A 69 104.042 -13.633 17.368 1.00 2.56 H new ATOM 0 HD2 LYS A 69 106.280 -14.338 17.483 1.00 2.70 H new ATOM 0 HD3 LYS A 69 105.986 -14.000 19.177 1.00 2.70 H new ATOM 0 HE2 LYS A 69 106.914 -16.172 19.285 1.00 3.11 H new ATOM 0 HE3 LYS A 69 105.198 -16.527 19.305 1.00 3.11 H new ATOM 0 HZ1 LYS A 69 106.356 -17.888 17.671 1.00 3.49 H new ATOM 0 HZ2 LYS A 69 105.264 -16.847 16.892 1.00 3.49 H new ATOM 0 HZ3 LYS A 69 106.927 -16.503 16.872 1.00 3.49 H new ATOM 987 N ASP A 70 100.306 -13.023 20.192 1.00 2.12 N ATOM 988 CA ASP A 70 99.521 -12.499 21.348 1.00 2.24 C ATOM 989 C ASP A 70 100.444 -11.677 22.253 1.00 2.16 C ATOM 990 O ASP A 70 99.995 -10.884 23.057 1.00 2.34 O ATOM 991 CB ASP A 70 98.927 -13.681 22.144 1.00 2.58 C ATOM 992 CG ASP A 70 97.578 -13.285 22.757 1.00 2.68 C ATOM 993 OD1 ASP A 70 97.587 -12.650 23.799 1.00 2.89 O ATOM 994 OD2 ASP A 70 96.562 -13.625 22.174 1.00 3.06 O ATOM 0 H ASP A 70 100.123 -12.563 19.300 1.00 2.12 H new ATOM 0 HA ASP A 70 98.710 -11.867 20.986 1.00 2.24 H new ATOM 0 HB2 ASP A 70 98.797 -14.542 21.488 1.00 2.58 H new ATOM 0 HB3 ASP A 70 99.618 -13.982 22.932 1.00 2.58 H new ATOM 999 N GLY A 71 101.734 -11.876 22.129 1.00 2.05 N ATOM 1000 CA GLY A 71 102.714 -11.131 22.977 1.00 2.02 C ATOM 1001 C GLY A 71 103.642 -10.303 22.087 1.00 1.94 C ATOM 1002 O GLY A 71 103.965 -9.173 22.394 1.00 2.16 O ATOM 0 H GLY A 71 102.153 -12.531 21.468 1.00 2.05 H new ATOM 0 HA2 GLY A 71 102.186 -10.480 23.673 1.00 2.02 H new ATOM 0 HA3 GLY A 71 103.297 -11.831 23.575 1.00 2.02 H new ATOM 1006 N SER A 72 104.074 -10.854 20.983 1.00 1.78 N ATOM 1007 CA SER A 72 104.983 -10.099 20.068 1.00 1.72 C ATOM 1008 C SER A 72 104.154 -9.432 18.971 1.00 1.60 C ATOM 1009 O SER A 72 103.383 -10.075 18.285 1.00 1.64 O ATOM 1010 CB SER A 72 105.981 -11.066 19.430 1.00 1.82 C ATOM 1011 OG SER A 72 106.586 -11.856 20.446 1.00 2.20 O ATOM 0 H SER A 72 103.836 -11.797 20.674 1.00 1.78 H new ATOM 0 HA SER A 72 105.522 -9.340 20.634 1.00 1.72 H new ATOM 0 HB2 SER A 72 105.474 -11.707 18.709 1.00 1.82 H new ATOM 0 HB3 SER A 72 106.743 -10.511 18.883 1.00 1.82 H new ATOM 0 HG SER A 72 107.334 -12.362 20.065 1.00 2.20 H new ATOM 1017 N CYS A 73 104.303 -8.146 18.798 1.00 1.50 N ATOM 1018 CA CYS A 73 103.519 -7.440 17.743 1.00 1.40 C ATOM 1019 C CYS A 73 104.215 -7.610 16.391 1.00 1.37 C ATOM 1020 O CYS A 73 105.352 -7.218 16.214 1.00 1.39 O ATOM 1021 CB CYS A 73 103.421 -5.952 18.087 1.00 1.31 C ATOM 1022 SG CYS A 73 102.125 -5.185 17.084 1.00 2.05 S ATOM 0 H CYS A 73 104.933 -7.555 19.340 1.00 1.50 H new ATOM 0 HA CYS A 73 102.516 -7.865 17.690 1.00 1.40 H new ATOM 0 HB2 CYS A 73 103.198 -5.827 19.147 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.377 -5.461 17.902 1.00 1.31 H new ATOM 0 HG CYS A 73 102.040 -3.921 17.378 1.00 2.05 H new ATOM 1028 N GLY A 74 103.540 -8.196 15.435 1.00 1.39 N ATOM 1029 CA GLY A 74 104.154 -8.402 14.086 1.00 1.38 C ATOM 1030 C GLY A 74 103.665 -7.316 13.127 1.00 1.28 C ATOM 1031 O GLY A 74 102.490 -7.217 12.836 1.00 1.26 O ATOM 0 H GLY A 74 102.585 -8.543 15.530 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.241 -8.371 14.162 1.00 1.38 H new ATOM 0 HA3 GLY A 74 103.889 -9.387 13.701 1.00 1.38 H new ATOM 1035 N VAL A 75 104.564 -6.503 12.632 1.00 1.25 N ATOM 1036 CA VAL A 75 104.168 -5.412 11.681 1.00 1.16 C ATOM 1037 C VAL A 75 104.587 -5.791 10.261 1.00 1.20 C ATOM 1038 O VAL A 75 105.746 -5.724 9.897 1.00 1.25 O ATOM 1039 CB VAL A 75 104.829 -4.096 12.119 1.00 1.11 C ATOM 1040 CG1 VAL A 75 106.245 -4.371 12.597 1.00 1.31 C ATOM 1041 CG2 VAL A 75 104.864 -3.094 10.956 1.00 1.57 C ATOM 0 H VAL A 75 105.561 -6.546 12.845 1.00 1.25 H new ATOM 0 HA VAL A 75 103.086 -5.280 11.692 1.00 1.16 H new ATOM 0 HB VAL A 75 104.243 -3.666 12.932 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.712 -3.436 12.907 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.217 -5.060 13.441 1.00 1.31 H new ATOM 0 HG13 VAL A 75 106.823 -4.814 11.786 1.00 1.31 H new ATOM 0 HG21 VAL A 75 105.336 -2.169 11.287 1.00 1.57 H new ATOM 0 HG22 VAL A 75 105.434 -3.517 10.129 1.00 1.57 H new ATOM 0 HG23 VAL A 75 103.847 -2.884 10.626 1.00 1.57 H new ATOM 1051 N SER A 76 103.636 -6.176 9.452 1.00 1.22 N ATOM 1052 CA SER A 76 103.950 -6.541 8.047 1.00 1.29 C ATOM 1053 C SER A 76 103.982 -5.263 7.221 1.00 1.19 C ATOM 1054 O SER A 76 103.041 -4.494 7.213 1.00 1.20 O ATOM 1055 CB SER A 76 102.889 -7.504 7.504 1.00 1.40 C ATOM 1056 OG SER A 76 103.429 -8.221 6.402 1.00 1.85 O ATOM 0 H SER A 76 102.652 -6.252 9.709 1.00 1.22 H new ATOM 0 HA SER A 76 104.917 -7.041 7.993 1.00 1.29 H new ATOM 0 HB2 SER A 76 102.575 -8.196 8.285 1.00 1.40 H new ATOM 0 HB3 SER A 76 102.003 -6.950 7.194 1.00 1.40 H new ATOM 0 HG SER A 76 104.340 -7.908 6.223 1.00 1.85 H new ATOM 1062 N TYR A 77 105.071 -5.025 6.540 1.00 1.21 N ATOM 1063 CA TYR A 77 105.206 -3.786 5.715 1.00 1.12 C ATOM 1064 C TYR A 77 105.505 -4.193 4.269 1.00 1.20 C ATOM 1065 O TYR A 77 105.736 -5.351 3.983 1.00 1.43 O ATOM 1066 CB TYR A 77 106.354 -2.929 6.301 1.00 1.07 C ATOM 1067 CG TYR A 77 107.706 -3.375 5.771 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.175 -4.666 6.038 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.492 -2.490 5.016 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.422 -5.073 5.551 1.00 1.47 C ATOM 1071 CE2 TYR A 77 109.739 -2.899 4.531 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.204 -4.191 4.798 1.00 1.39 C ATOM 1073 OH TYR A 77 111.434 -4.594 4.320 1.00 1.54 O ATOM 0 H TYR A 77 105.883 -5.642 6.519 1.00 1.21 H new ATOM 0 HA TYR A 77 104.288 -3.199 5.730 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.191 -1.881 6.051 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.346 -3.002 7.389 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.574 -5.349 6.620 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.134 -1.492 4.809 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.781 -6.070 5.757 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.343 -2.217 3.950 1.00 1.28 H new ATOM 0 HH TYR A 77 112.056 -4.703 5.069 1.00 1.54 H new ATOM 1083 N VAL A 78 105.498 -3.258 3.354 1.00 1.13 N ATOM 1084 CA VAL A 78 105.775 -3.606 1.924 1.00 1.21 C ATOM 1085 C VAL A 78 106.613 -2.501 1.274 1.00 1.14 C ATOM 1086 O VAL A 78 106.413 -1.331 1.527 1.00 1.11 O ATOM 1087 CB VAL A 78 104.444 -3.734 1.179 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.696 -4.200 -0.260 1.00 1.81 C ATOM 1089 CG2 VAL A 78 103.526 -4.733 1.908 1.00 1.90 C ATOM 0 H VAL A 78 105.313 -2.271 3.532 1.00 1.13 H new ATOM 0 HA VAL A 78 106.323 -4.547 1.877 1.00 1.21 H new ATOM 0 HB VAL A 78 103.954 -2.761 1.155 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.745 -4.289 -0.785 1.00 1.81 H new ATOM 0 HG12 VAL A 78 105.327 -3.474 -0.772 1.00 1.81 H new ATOM 0 HG13 VAL A 78 105.195 -5.169 -0.247 1.00 1.81 H new ATOM 0 HG21 VAL A 78 102.581 -4.818 1.371 1.00 1.90 H new ATOM 0 HG22 VAL A 78 104.010 -5.709 1.948 1.00 1.90 H new ATOM 0 HG23 VAL A 78 103.337 -4.380 2.922 1.00 1.90 H new ATOM 1099 N VAL A 79 107.549 -2.869 0.429 1.00 1.17 N ATOM 1100 CA VAL A 79 108.411 -1.851 -0.259 1.00 1.11 C ATOM 1101 C VAL A 79 108.040 -1.795 -1.740 1.00 1.15 C ATOM 1102 O VAL A 79 107.603 -2.771 -2.315 1.00 1.24 O ATOM 1103 CB VAL A 79 109.880 -2.255 -0.133 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.259 -2.352 1.345 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.092 -3.614 -0.805 1.00 1.27 C ATOM 0 H VAL A 79 107.754 -3.838 0.185 1.00 1.17 H new ATOM 0 HA VAL A 79 108.256 -0.876 0.202 1.00 1.11 H new ATOM 0 HB VAL A 79 110.506 -1.506 -0.618 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.306 -2.640 1.434 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.107 -1.385 1.824 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.634 -3.100 1.832 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.139 -3.904 -0.716 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.466 -4.362 -0.319 1.00 1.27 H new ATOM 0 HG23 VAL A 79 109.823 -3.545 -1.859 1.00 1.27 H new ATOM 1115 N GLN A 80 108.208 -0.659 -2.365 1.00 1.10 N ATOM 1116 CA GLN A 80 107.858 -0.538 -3.812 1.00 1.15 C ATOM 1117 C GLN A 80 109.108 -0.725 -4.679 1.00 1.17 C ATOM 1118 O GLN A 80 109.078 -1.424 -5.672 1.00 1.25 O ATOM 1119 CB GLN A 80 107.267 0.851 -4.074 1.00 1.11 C ATOM 1120 CG GLN A 80 106.516 0.851 -5.408 1.00 1.18 C ATOM 1121 CD GLN A 80 105.187 0.110 -5.246 1.00 1.80 C ATOM 1122 OE1 GLN A 80 104.970 -0.914 -5.864 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.283 0.586 -4.435 1.00 2.48 N ATOM 0 H GLN A 80 108.573 0.191 -1.936 1.00 1.10 H new ATOM 0 HA GLN A 80 107.130 -1.309 -4.066 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.590 1.127 -3.265 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.062 1.597 -4.093 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.336 1.875 -5.736 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.121 0.371 -6.178 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.465 1.445 -3.916 1.00 2.48 H new ATOM 0 HE22 GLN A 80 103.394 0.099 -4.320 1.00 2.48 H new ATOM 1132 N GLU A 81 110.209 -0.101 -4.330 1.00 1.11 N ATOM 1133 CA GLU A 81 111.442 -0.256 -5.174 1.00 1.13 C ATOM 1134 C GLU A 81 112.714 0.099 -4.363 1.00 1.07 C ATOM 1135 O GLU A 81 112.654 0.901 -3.452 1.00 0.98 O ATOM 1136 CB GLU A 81 111.347 0.648 -6.430 1.00 1.11 C ATOM 1137 CG GLU A 81 110.260 1.697 -6.227 1.00 1.43 C ATOM 1138 CD GLU A 81 110.403 2.805 -7.273 1.00 1.37 C ATOM 1139 OE1 GLU A 81 110.159 2.529 -8.436 1.00 1.65 O ATOM 1140 OE2 GLU A 81 110.753 3.910 -6.892 1.00 1.92 O ATOM 0 H GLU A 81 110.309 0.500 -3.512 1.00 1.11 H new ATOM 0 HA GLU A 81 111.512 -1.298 -5.487 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.305 1.134 -6.613 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.123 0.044 -7.309 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.276 1.234 -6.307 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.333 2.119 -5.225 1.00 1.43 H new ATOM 1147 N PRO A 82 113.838 -0.500 -4.736 1.00 1.14 N ATOM 1148 CA PRO A 82 115.136 -0.258 -4.085 1.00 1.14 C ATOM 1149 C PRO A 82 115.342 1.186 -3.673 1.00 1.00 C ATOM 1150 O PRO A 82 114.727 2.103 -4.180 1.00 0.91 O ATOM 1151 CB PRO A 82 116.158 -0.693 -5.136 1.00 1.23 C ATOM 1152 CG PRO A 82 115.439 -1.770 -5.960 1.00 1.30 C ATOM 1153 CD PRO A 82 113.931 -1.488 -5.832 1.00 1.26 C ATOM 0 HA PRO A 82 115.221 -0.808 -3.148 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.463 0.146 -5.762 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.061 -1.088 -4.670 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.753 -1.734 -7.003 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.680 -2.766 -5.589 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.520 -1.092 -6.761 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.375 -2.396 -5.598 1.00 1.26 H new ATOM 1161 N GLY A 83 116.228 1.372 -2.741 1.00 0.99 N ATOM 1162 CA GLY A 83 116.534 2.740 -2.243 1.00 0.89 C ATOM 1163 C GLY A 83 116.913 2.671 -0.766 1.00 0.92 C ATOM 1164 O GLY A 83 116.702 1.676 -0.101 1.00 1.02 O ATOM 0 H GLY A 83 116.761 0.625 -2.296 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.351 3.174 -2.819 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.669 3.389 -2.378 1.00 0.89 H new ATOM 1168 N ASP A 84 117.457 3.732 -0.247 1.00 0.87 N ATOM 1169 CA ASP A 84 117.841 3.764 1.188 1.00 0.93 C ATOM 1170 C ASP A 84 116.628 4.225 1.980 1.00 0.83 C ATOM 1171 O ASP A 84 116.471 5.390 2.281 1.00 0.76 O ATOM 1172 CB ASP A 84 118.996 4.748 1.395 1.00 0.98 C ATOM 1173 CG ASP A 84 120.294 4.129 0.873 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.431 2.921 0.968 1.00 2.13 O ATOM 1175 OD2 ASP A 84 121.128 4.875 0.385 1.00 2.06 O ATOM 0 H ASP A 84 117.655 4.590 -0.763 1.00 0.87 H new ATOM 0 HA ASP A 84 118.164 2.777 1.519 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.790 5.682 0.872 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.096 4.990 2.453 1.00 0.98 H new ATOM 1180 N TYR A 85 115.763 3.316 2.307 1.00 0.84 N ATOM 1181 CA TYR A 85 114.550 3.680 3.068 1.00 0.76 C ATOM 1182 C TYR A 85 114.977 4.056 4.481 1.00 0.80 C ATOM 1183 O TYR A 85 115.768 3.374 5.095 1.00 0.92 O ATOM 1184 CB TYR A 85 113.609 2.464 3.078 1.00 0.80 C ATOM 1185 CG TYR A 85 112.533 2.619 2.033 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.339 3.268 2.352 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.736 2.110 0.746 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.343 3.410 1.385 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.742 2.250 -0.224 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.543 2.902 0.094 1.00 0.67 C ATOM 1191 OH TYR A 85 109.560 3.042 -0.861 1.00 0.68 O ATOM 0 H TYR A 85 115.847 2.326 2.076 1.00 0.84 H new ATOM 0 HA TYR A 85 114.027 4.525 2.620 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.179 1.554 2.889 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.155 2.357 4.063 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.186 3.660 3.347 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.661 1.609 0.503 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.418 3.911 1.631 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.897 1.857 -1.218 1.00 0.75 H new ATOM 0 HH TYR A 85 108.786 2.492 -0.617 1.00 0.68 H new ATOM 1201 N GLU A 86 114.461 5.141 4.990 1.00 0.73 N ATOM 1202 CA GLU A 86 114.834 5.596 6.371 1.00 0.78 C ATOM 1203 C GLU A 86 113.610 5.457 7.280 1.00 0.74 C ATOM 1204 O GLU A 86 112.540 5.939 6.968 1.00 0.68 O ATOM 1205 CB GLU A 86 115.317 7.078 6.340 1.00 0.78 C ATOM 1206 CG GLU A 86 114.964 7.739 4.995 1.00 0.72 C ATOM 1207 CD GLU A 86 116.002 7.358 3.934 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.907 6.607 4.258 1.00 1.26 O ATOM 1209 OE2 GLU A 86 115.873 7.826 2.815 1.00 1.53 O ATOM 0 H GLU A 86 113.791 5.741 4.509 1.00 0.73 H new ATOM 0 HA GLU A 86 115.649 4.981 6.753 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.854 7.633 7.156 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.395 7.118 6.498 1.00 0.78 H new ATOM 0 HG2 GLU A 86 113.971 7.422 4.674 1.00 0.72 H new ATOM 0 HG3 GLU A 86 114.931 8.822 5.111 1.00 0.72 H new ATOM 1216 N VAL A 87 113.766 4.792 8.398 1.00 0.81 N ATOM 1217 CA VAL A 87 112.624 4.599 9.343 1.00 0.78 C ATOM 1218 C VAL A 87 113.001 5.133 10.728 1.00 0.86 C ATOM 1219 O VAL A 87 114.121 4.974 11.183 1.00 0.99 O ATOM 1220 CB VAL A 87 112.308 3.104 9.427 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.398 2.375 10.218 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.955 2.903 10.114 1.00 0.83 C ATOM 0 H VAL A 87 114.645 4.371 8.699 1.00 0.81 H new ATOM 0 HA VAL A 87 111.749 5.143 8.987 1.00 0.78 H new ATOM 0 HB VAL A 87 112.270 2.694 8.418 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.161 1.312 10.270 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.359 2.508 9.721 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.451 2.785 11.227 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.732 1.838 10.173 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.992 3.322 11.119 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.177 3.406 9.539 1.00 0.83 H new ATOM 1232 N SER A 88 112.067 5.763 11.400 1.00 0.81 N ATOM 1233 CA SER A 88 112.341 6.316 12.765 1.00 0.91 C ATOM 1234 C SER A 88 111.241 5.868 13.723 1.00 0.87 C ATOM 1235 O SER A 88 110.176 6.448 13.783 1.00 0.84 O ATOM 1236 CB SER A 88 112.378 7.844 12.702 1.00 0.94 C ATOM 1237 OG SER A 88 113.114 8.249 11.555 1.00 1.59 O ATOM 0 H SER A 88 111.119 5.919 11.058 1.00 0.81 H new ATOM 0 HA SER A 88 113.304 5.948 13.120 1.00 0.91 H new ATOM 0 HB2 SER A 88 111.364 8.242 12.657 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.839 8.246 13.604 1.00 0.94 H new ATOM 0 HG SER A 88 113.138 9.228 11.511 1.00 1.59 H new ATOM 1243 N ILE A 89 111.502 4.828 14.470 1.00 0.99 N ATOM 1244 CA ILE A 89 110.494 4.303 15.437 1.00 0.98 C ATOM 1245 C ILE A 89 110.891 4.693 16.866 1.00 1.08 C ATOM 1246 O ILE A 89 112.027 4.549 17.270 1.00 1.20 O ATOM 1247 CB ILE A 89 110.436 2.776 15.292 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.618 2.130 16.041 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.498 2.415 13.802 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.825 0.682 15.578 1.00 1.29 C ATOM 0 H ILE A 89 112.383 4.313 14.451 1.00 0.99 H new ATOM 0 HA ILE A 89 109.512 4.729 15.230 1.00 0.98 H new ATOM 0 HB ILE A 89 109.507 2.402 15.722 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.526 2.707 15.865 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.430 2.151 17.114 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.457 1.332 13.688 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.653 2.866 13.283 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.428 2.790 13.375 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.664 0.244 16.118 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.923 0.104 15.777 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.036 0.669 14.509 1.00 1.29 H new ATOM 1262 N LYS A 90 109.956 5.188 17.625 1.00 1.05 N ATOM 1263 CA LYS A 90 110.234 5.597 19.026 1.00 1.16 C ATOM 1264 C LYS A 90 109.003 5.278 19.863 1.00 1.11 C ATOM 1265 O LYS A 90 107.916 5.697 19.532 1.00 1.01 O ATOM 1266 CB LYS A 90 110.444 7.107 19.067 1.00 1.22 C ATOM 1267 CG LYS A 90 109.161 7.812 18.563 1.00 1.15 C ATOM 1268 CD LYS A 90 109.503 9.176 17.925 1.00 1.34 C ATOM 1269 CE LYS A 90 109.758 9.000 16.423 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.028 8.247 16.219 1.00 1.58 N ATOM 0 H LYS A 90 108.991 5.329 17.326 1.00 1.05 H new ATOM 0 HA LYS A 90 111.115 5.078 19.402 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.674 7.427 20.083 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.295 7.385 18.445 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.656 7.180 17.833 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.469 7.956 19.393 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.684 9.877 18.084 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.384 9.601 18.405 1.00 1.34 H new ATOM 0 HE2 LYS A 90 108.928 8.465 15.963 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.818 9.974 15.937 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.343 8.358 15.234 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.758 8.618 16.860 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.870 7.239 16.420 1.00 1.58 H new ATOM 1284 N PHE A 91 109.139 4.570 20.947 1.00 1.21 N ATOM 1285 CA PHE A 91 107.926 4.281 21.768 1.00 1.18 C ATOM 1286 C PHE A 91 107.695 5.456 22.722 1.00 1.22 C ATOM 1287 O PHE A 91 108.369 5.610 23.714 1.00 1.34 O ATOM 1288 CB PHE A 91 108.121 2.979 22.546 1.00 1.29 C ATOM 1289 CG PHE A 91 106.884 2.695 23.365 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.694 2.336 22.722 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.923 2.792 24.762 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.543 2.074 23.473 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.771 2.529 25.514 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.581 2.170 24.869 1.00 1.24 C ATOM 0 H PHE A 91 110.016 4.185 21.297 1.00 1.21 H new ATOM 0 HA PHE A 91 107.054 4.160 21.125 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.312 2.156 21.857 1.00 1.29 H new ATOM 0 HB3 PHE A 91 108.992 3.058 23.197 1.00 1.29 H new ATOM 0 HD1 PHE A 91 105.664 2.261 21.645 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.841 3.069 25.259 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.625 1.798 22.976 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.800 2.603 26.591 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.693 1.967 25.449 1.00 1.24 H new ATOM 1304 N ASN A 92 106.760 6.306 22.406 1.00 1.15 N ATOM 1305 CA ASN A 92 106.499 7.491 23.273 1.00 1.23 C ATOM 1306 C ASN A 92 107.650 8.491 23.101 1.00 1.32 C ATOM 1307 O ASN A 92 108.022 9.183 24.025 1.00 1.42 O ATOM 1308 CB ASN A 92 106.385 7.054 24.748 1.00 1.32 C ATOM 1309 CG ASN A 92 105.473 8.021 25.512 1.00 1.74 C ATOM 1310 OD1 ASN A 92 104.339 8.234 25.132 1.00 2.32 O ATOM 1311 ND2 ASN A 92 105.925 8.619 26.581 1.00 2.24 N ATOM 0 H ASN A 92 106.163 6.232 21.583 1.00 1.15 H new ATOM 0 HA ASN A 92 105.559 7.961 22.983 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.985 6.042 24.806 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.373 7.033 25.207 1.00 1.32 H new ATOM 0 HD21 ASN A 92 105.326 9.264 27.096 1.00 2.24 H new ATOM 0 HD22 ASN A 92 106.877 8.441 26.901 1.00 2.24 H new ATOM 1318 N ASP A 93 108.201 8.566 21.914 1.00 1.28 N ATOM 1319 CA ASP A 93 109.324 9.515 21.631 1.00 1.37 C ATOM 1320 C ASP A 93 110.665 8.966 22.120 1.00 1.45 C ATOM 1321 O ASP A 93 111.639 9.691 22.162 1.00 1.53 O ATOM 1322 CB ASP A 93 109.072 10.879 22.275 1.00 1.46 C ATOM 1323 CG ASP A 93 107.582 11.219 22.204 1.00 1.46 C ATOM 1324 OD1 ASP A 93 106.924 10.723 21.304 1.00 1.92 O ATOM 1325 OD2 ASP A 93 107.125 11.969 23.050 1.00 1.83 O ATOM 0 H ASP A 93 107.915 8.000 21.115 1.00 1.28 H new ATOM 0 HA ASP A 93 109.368 9.632 20.548 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.403 10.868 23.314 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.654 11.646 21.764 1.00 1.46 H new ATOM 1330 N GLU A 94 110.757 7.695 22.446 1.00 1.43 N ATOM 1331 CA GLU A 94 112.080 7.144 22.872 1.00 1.53 C ATOM 1332 C GLU A 94 112.675 6.426 21.664 1.00 1.52 C ATOM 1333 O GLU A 94 112.367 5.284 21.380 1.00 1.48 O ATOM 1334 CB GLU A 94 111.910 6.194 24.063 1.00 1.56 C ATOM 1335 CG GLU A 94 111.115 4.942 23.662 1.00 1.95 C ATOM 1336 CD GLU A 94 110.347 4.407 24.879 1.00 1.88 C ATOM 1337 OE1 GLU A 94 109.769 5.209 25.594 1.00 2.25 O ATOM 1338 OE2 GLU A 94 110.345 3.205 25.068 1.00 2.24 O ATOM 0 H GLU A 94 109.985 7.028 22.435 1.00 1.43 H new ATOM 0 HA GLU A 94 112.748 7.940 23.202 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.889 5.901 24.441 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.396 6.711 24.874 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.420 5.183 22.858 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.791 4.177 23.281 1.00 1.95 H new ATOM 1345 N HIS A 95 113.494 7.122 20.921 1.00 1.59 N ATOM 1346 CA HIS A 95 114.094 6.528 19.697 1.00 1.59 C ATOM 1347 C HIS A 95 115.188 5.536 20.073 1.00 1.71 C ATOM 1348 O HIS A 95 116.234 5.902 20.572 1.00 1.86 O ATOM 1349 CB HIS A 95 114.691 7.643 18.834 1.00 1.65 C ATOM 1350 CG HIS A 95 115.503 8.568 19.699 1.00 1.94 C ATOM 1351 ND1 HIS A 95 115.139 9.579 20.554 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 116.887 8.510 19.748 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 116.277 10.140 21.126 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 117.302 9.460 20.606 1.00 2.88 N flip ATOM 0 H HIS A 95 113.773 8.084 21.114 1.00 1.59 H new ATOM 0 HA HIS A 95 113.318 6.003 19.139 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.318 7.215 18.052 1.00 1.65 H new ATOM 0 HB3 HIS A 95 113.895 8.198 18.337 1.00 1.65 H new ATOM 0 HD2 HIS A 95 117.517 7.827 19.198 1.00 2.62 H new ATOM 0 HE1 HIS A 95 116.322 10.951 21.838 1.00 2.68 H new ATOM 0 HE2 HIS A 95 118.280 9.639 20.832 1.00 2.88 H new ATOM 1362 N ILE A 96 114.959 4.283 19.818 1.00 1.67 N ATOM 1363 CA ILE A 96 115.999 3.255 20.140 1.00 1.82 C ATOM 1364 C ILE A 96 117.261 3.608 19.322 1.00 1.88 C ATOM 1365 O ILE A 96 117.147 4.255 18.298 1.00 1.77 O ATOM 1366 CB ILE A 96 115.481 1.834 19.758 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.269 1.958 18.806 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.067 1.044 21.017 1.00 2.35 C ATOM 1369 CD1 ILE A 96 112.985 2.323 19.583 1.00 2.27 C ATOM 0 H ILE A 96 114.102 3.920 19.402 1.00 1.67 H new ATOM 0 HA ILE A 96 116.225 3.251 21.206 1.00 1.82 H new ATOM 0 HB ILE A 96 116.288 1.297 19.259 1.00 1.82 H new ATOM 0 HG12 ILE A 96 114.471 2.720 18.053 1.00 1.98 H new ATOM 0 HG13 ILE A 96 114.122 1.017 18.276 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.709 0.056 20.726 1.00 2.35 H new ATOM 0 HG22 ILE A 96 115.926 0.938 21.679 1.00 2.35 H new ATOM 0 HG23 ILE A 96 114.272 1.579 21.537 1.00 2.35 H new ATOM 0 HD11 ILE A 96 112.149 2.403 18.888 1.00 2.27 H new ATOM 0 HD12 ILE A 96 112.772 1.547 20.318 1.00 2.27 H new ATOM 0 HD13 ILE A 96 113.126 3.276 20.092 1.00 2.27 H new ATOM 1381 N PRO A 97 118.428 3.181 19.771 1.00 2.08 N ATOM 1382 CA PRO A 97 119.675 3.475 19.044 1.00 2.18 C ATOM 1383 C PRO A 97 119.488 3.113 17.569 1.00 2.06 C ATOM 1384 O PRO A 97 120.120 3.668 16.693 1.00 2.32 O ATOM 1385 CB PRO A 97 120.751 2.601 19.729 1.00 2.43 C ATOM 1386 CG PRO A 97 120.091 1.953 20.982 1.00 2.48 C ATOM 1387 CD PRO A 97 118.603 2.377 20.996 1.00 2.25 C ATOM 0 HA PRO A 97 119.961 4.526 19.073 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.115 1.833 19.046 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.611 3.205 20.017 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.180 0.867 20.944 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.592 2.282 21.892 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.944 1.509 20.996 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.366 2.958 21.887 1.00 2.25 H new ATOM 1395 N ASP A 98 118.601 2.200 17.296 1.00 2.10 N ATOM 1396 CA ASP A 98 118.341 1.810 15.889 1.00 1.98 C ATOM 1397 C ASP A 98 117.881 3.034 15.117 1.00 1.76 C ATOM 1398 O ASP A 98 118.531 3.478 14.194 1.00 1.73 O ATOM 1399 CB ASP A 98 117.243 0.744 15.850 1.00 1.95 C ATOM 1400 CG ASP A 98 117.642 -0.432 16.742 1.00 2.28 C ATOM 1401 OD1 ASP A 98 118.325 -0.198 17.726 1.00 2.64 O ATOM 1402 OD2 ASP A 98 117.260 -1.547 16.427 1.00 2.65 O ATOM 0 H ASP A 98 118.043 1.706 17.992 1.00 2.10 H new ATOM 0 HA ASP A 98 119.251 1.409 15.442 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.298 1.168 16.190 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.089 0.402 14.826 1.00 1.95 H new ATOM 1407 N SER A 99 116.752 3.569 15.465 1.00 1.67 N ATOM 1408 CA SER A 99 116.239 4.745 14.721 1.00 1.48 C ATOM 1409 C SER A 99 117.156 5.959 14.956 1.00 1.62 C ATOM 1410 O SER A 99 117.591 6.166 16.072 1.00 1.87 O ATOM 1411 CB SER A 99 114.827 5.065 15.222 1.00 1.48 C ATOM 1412 OG SER A 99 114.766 4.830 16.623 1.00 2.00 O ATOM 0 H SER A 99 116.162 3.244 16.231 1.00 1.67 H new ATOM 0 HA SER A 99 116.217 4.523 13.654 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.577 6.103 15.004 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.095 4.445 14.705 1.00 1.48 H new ATOM 0 HG SER A 99 113.831 4.727 16.897 1.00 2.00 H new ATOM 1418 N PRO A 100 117.405 6.770 13.934 1.00 1.55 N ATOM 1419 CA PRO A 100 116.913 6.591 12.537 1.00 1.33 C ATOM 1420 C PRO A 100 117.885 5.671 11.759 1.00 1.33 C ATOM 1421 O PRO A 100 119.025 6.041 11.559 1.00 1.47 O ATOM 1422 CB PRO A 100 116.978 8.019 11.950 1.00 1.43 C ATOM 1423 CG PRO A 100 117.932 8.843 12.864 1.00 1.74 C ATOM 1424 CD PRO A 100 118.198 7.997 14.129 1.00 1.79 C ATOM 0 HA PRO A 100 115.920 6.144 12.483 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.348 7.998 10.925 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.986 8.470 11.922 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.865 9.064 12.346 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.480 9.799 13.129 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.259 7.770 14.237 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.892 8.527 15.031 1.00 1.79 H new ATOM 1432 N PHE A 101 117.464 4.499 11.294 1.00 1.25 N ATOM 1433 CA PHE A 101 118.419 3.620 10.507 1.00 1.36 C ATOM 1434 C PHE A 101 117.904 3.435 9.081 1.00 1.24 C ATOM 1435 O PHE A 101 116.764 3.721 8.775 1.00 1.16 O ATOM 1436 CB PHE A 101 118.624 2.251 11.176 1.00 1.55 C ATOM 1437 CG PHE A 101 117.346 1.450 11.239 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.475 1.628 12.309 1.00 1.50 C ATOM 1439 CD2 PHE A 101 117.056 0.498 10.257 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.316 0.868 12.411 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.886 -0.266 10.351 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.015 -0.081 11.432 1.00 2.19 C ATOM 0 H PHE A 101 116.525 4.121 11.421 1.00 1.25 H new ATOM 0 HA PHE A 101 119.386 4.122 10.484 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.377 1.688 10.624 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.010 2.396 12.185 1.00 1.55 H new ATOM 0 HD1 PHE A 101 116.701 2.363 13.067 1.00 1.50 H new ATOM 0 HD2 PHE A 101 117.733 0.352 9.428 1.00 1.78 H new ATOM 0 HE1 PHE A 101 114.648 1.011 13.248 1.00 1.83 H new ATOM 0 HE2 PHE A 101 115.656 -0.997 9.590 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.113 -0.671 11.508 1.00 2.19 H new ATOM 1452 N VAL A 102 118.760 2.989 8.195 1.00 1.28 N ATOM 1453 CA VAL A 102 118.358 2.816 6.767 1.00 1.21 C ATOM 1454 C VAL A 102 117.874 1.387 6.502 1.00 1.23 C ATOM 1455 O VAL A 102 118.282 0.445 7.151 1.00 1.34 O ATOM 1456 CB VAL A 102 119.565 3.114 5.872 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.731 2.200 6.255 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.193 2.872 4.407 1.00 1.29 C ATOM 0 H VAL A 102 119.726 2.736 8.402 1.00 1.28 H new ATOM 0 HA VAL A 102 117.540 3.503 6.548 1.00 1.21 H new ATOM 0 HB VAL A 102 119.860 4.155 6.006 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.587 2.415 5.616 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.003 2.374 7.296 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.435 1.159 6.126 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.054 3.085 3.773 1.00 1.29 H new ATOM 0 HG22 VAL A 102 118.893 1.832 4.275 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.367 3.526 4.129 1.00 1.29 H new ATOM 1468 N VAL A 103 117.016 1.232 5.524 1.00 1.15 N ATOM 1469 CA VAL A 103 116.486 -0.118 5.154 1.00 1.19 C ATOM 1470 C VAL A 103 116.742 -0.332 3.646 1.00 1.19 C ATOM 1471 O VAL A 103 115.899 0.000 2.838 1.00 1.10 O ATOM 1472 CB VAL A 103 114.978 -0.148 5.424 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.371 -1.438 4.857 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.736 -0.092 6.936 1.00 1.14 C ATOM 0 H VAL A 103 116.654 1.998 4.956 1.00 1.15 H new ATOM 0 HA VAL A 103 116.974 -0.900 5.735 1.00 1.19 H new ATOM 0 HB VAL A 103 114.508 0.709 4.942 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.299 -1.452 5.053 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.544 -1.480 3.782 1.00 1.18 H new ATOM 0 HG13 VAL A 103 114.838 -2.300 5.333 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.664 -0.113 7.134 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.210 -0.950 7.412 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.161 0.827 7.339 1.00 1.14 H new ATOM 1484 N PRO A 104 117.910 -0.833 3.293 1.00 1.29 N ATOM 1485 CA PRO A 104 118.267 -1.028 1.872 1.00 1.30 C ATOM 1486 C PRO A 104 117.351 -2.054 1.175 1.00 1.33 C ATOM 1487 O PRO A 104 117.389 -3.239 1.451 1.00 1.44 O ATOM 1488 CB PRO A 104 119.738 -1.515 1.894 1.00 1.42 C ATOM 1489 CG PRO A 104 120.193 -1.563 3.382 1.00 1.49 C ATOM 1490 CD PRO A 104 118.962 -1.235 4.253 1.00 1.41 C ATOM 0 HA PRO A 104 118.143 -0.107 1.303 1.00 1.30 H new ATOM 0 HB2 PRO A 104 119.823 -2.500 1.435 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.374 -0.841 1.320 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.588 -2.548 3.631 1.00 1.49 H new ATOM 0 HG3 PRO A 104 120.993 -0.845 3.562 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.652 -2.100 4.839 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.180 -0.433 4.958 1.00 1.41 H new ATOM 1498 N VAL A 105 116.560 -1.598 0.236 1.00 1.25 N ATOM 1499 CA VAL A 105 115.676 -2.519 -0.536 1.00 1.29 C ATOM 1500 C VAL A 105 116.415 -2.824 -1.855 1.00 1.35 C ATOM 1501 O VAL A 105 117.096 -1.965 -2.390 1.00 1.31 O ATOM 1502 CB VAL A 105 114.329 -1.814 -0.774 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.458 -2.597 -1.768 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.589 -1.708 0.560 1.00 1.15 C ATOM 0 H VAL A 105 116.490 -0.616 -0.030 1.00 1.25 H new ATOM 0 HA VAL A 105 115.467 -3.452 -0.013 1.00 1.29 H new ATOM 0 HB VAL A 105 114.522 -0.826 -1.192 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.513 -2.073 -1.915 1.00 1.26 H new ATOM 0 HG12 VAL A 105 113.979 -2.680 -2.722 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.262 -3.594 -1.374 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.632 -1.210 0.406 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.418 -2.707 0.962 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.189 -1.132 1.264 1.00 1.15 H new ATOM 1514 N ALA A 106 116.337 -4.047 -2.352 1.00 1.46 N ATOM 1515 CA ALA A 106 117.093 -4.417 -3.607 1.00 1.53 C ATOM 1516 C ALA A 106 116.183 -5.117 -4.640 1.00 1.59 C ATOM 1517 O ALA A 106 115.446 -6.021 -4.336 1.00 1.66 O ATOM 1518 CB ALA A 106 118.242 -5.356 -3.207 1.00 1.67 C ATOM 0 H ALA A 106 115.785 -4.802 -1.945 1.00 1.46 H new ATOM 0 HA ALA A 106 117.472 -3.508 -4.075 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.806 -5.640 -4.096 1.00 1.67 H new ATOM 0 HB2 ALA A 106 118.902 -4.845 -2.506 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.834 -6.250 -2.735 1.00 1.67 H new ATOM 1524 N SER A 107 116.249 -4.697 -5.870 1.00 1.59 N ATOM 1525 CA SER A 107 115.418 -5.314 -6.942 1.00 1.67 C ATOM 1526 C SER A 107 116.259 -6.375 -7.626 1.00 1.81 C ATOM 1527 O SER A 107 116.996 -6.102 -8.552 1.00 1.83 O ATOM 1528 CB SER A 107 115.011 -4.252 -7.963 1.00 1.60 C ATOM 1529 OG SER A 107 116.173 -3.576 -8.427 1.00 2.04 O ATOM 0 H SER A 107 116.854 -3.939 -6.185 1.00 1.59 H new ATOM 0 HA SER A 107 114.515 -5.751 -6.515 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.488 -4.716 -8.799 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.320 -3.542 -7.510 1.00 1.60 H new ATOM 0 HG SER A 107 116.867 -4.232 -8.648 1.00 2.04 H new ATOM 1535 N LEU A 108 116.181 -7.574 -7.145 1.00 1.98 N ATOM 1536 CA LEU A 108 117.002 -8.671 -7.728 1.00 2.16 C ATOM 1537 C LEU A 108 118.464 -8.226 -7.703 1.00 2.13 C ATOM 1538 O LEU A 108 119.333 -8.847 -8.282 1.00 2.33 O ATOM 1539 CB LEU A 108 116.560 -8.955 -9.170 1.00 2.25 C ATOM 1540 CG LEU A 108 115.280 -9.795 -9.160 1.00 2.76 C ATOM 1541 CD1 LEU A 108 114.218 -9.105 -8.299 1.00 3.20 C ATOM 1542 CD2 LEU A 108 114.759 -9.945 -10.592 1.00 3.20 C ATOM 0 H LEU A 108 115.581 -7.849 -6.367 1.00 1.98 H new ATOM 0 HA LEU A 108 116.875 -9.587 -7.150 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.388 -8.018 -9.699 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.349 -9.483 -9.705 1.00 2.25 H new ATOM 0 HG LEU A 108 115.496 -10.780 -8.745 1.00 2.76 H new ATOM 0 HD11 LEU A 108 113.308 -9.705 -8.294 1.00 3.20 H new ATOM 0 HD12 LEU A 108 114.589 -8.999 -7.280 1.00 3.20 H new ATOM 0 HD13 LEU A 108 114.000 -8.119 -8.710 1.00 3.20 H new ATOM 0 HD21 LEU A 108 113.848 -10.543 -10.587 1.00 3.20 H new ATOM 0 HD22 LEU A 108 114.544 -8.960 -11.006 1.00 3.20 H new ATOM 0 HD23 LEU A 108 115.514 -10.439 -11.204 1.00 3.20 H new ATOM 1554 N SER A 109 118.731 -7.142 -7.019 1.00 1.93 N ATOM 1555 CA SER A 109 120.121 -6.615 -6.917 1.00 1.92 C ATOM 1556 C SER A 109 120.730 -7.057 -5.592 1.00 2.00 C ATOM 1557 O SER A 109 121.932 -7.180 -5.464 1.00 2.09 O ATOM 1558 CB SER A 109 120.086 -5.093 -6.986 1.00 1.77 C ATOM 1559 OG SER A 109 121.408 -4.615 -7.196 1.00 2.06 O ATOM 0 H SER A 109 118.031 -6.593 -6.520 1.00 1.93 H new ATOM 0 HA SER A 109 120.725 -7.001 -7.738 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.433 -4.767 -7.796 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.678 -4.682 -6.062 1.00 1.77 H new ATOM 0 HG SER A 109 122.051 -5.264 -6.842 1.00 2.06 H new ATOM 1565 N ASP A 110 119.917 -7.286 -4.596 1.00 1.99 N ATOM 1566 CA ASP A 110 120.471 -7.704 -3.279 1.00 2.10 C ATOM 1567 C ASP A 110 121.516 -6.675 -2.861 1.00 2.06 C ATOM 1568 O ASP A 110 122.286 -6.878 -1.944 1.00 2.19 O ATOM 1569 CB ASP A 110 121.126 -9.081 -3.409 1.00 2.32 C ATOM 1570 CG ASP A 110 120.188 -10.025 -4.164 1.00 2.37 C ATOM 1571 OD1 ASP A 110 119.088 -9.605 -4.483 1.00 2.85 O ATOM 1572 OD2 ASP A 110 120.586 -11.152 -4.409 1.00 2.61 O ATOM 0 H ASP A 110 118.901 -7.202 -4.637 1.00 1.99 H new ATOM 0 HA ASP A 110 119.677 -7.764 -2.534 1.00 2.10 H new ATOM 0 HB2 ASP A 110 122.075 -8.995 -3.938 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.347 -9.485 -2.421 1.00 2.32 H new ATOM 1577 N ASP A 111 121.541 -5.569 -3.549 1.00 1.92 N ATOM 1578 CA ASP A 111 122.523 -4.504 -3.233 1.00 1.92 C ATOM 1579 C ASP A 111 122.154 -3.230 -3.999 1.00 1.78 C ATOM 1580 O ASP A 111 122.416 -2.134 -3.546 1.00 1.80 O ATOM 1581 CB ASP A 111 123.924 -4.961 -3.647 1.00 2.09 C ATOM 1582 CG ASP A 111 123.893 -5.470 -5.089 1.00 1.97 C ATOM 1583 OD1 ASP A 111 123.436 -4.733 -5.947 1.00 2.24 O ATOM 1584 OD2 ASP A 111 124.327 -6.588 -5.311 1.00 2.46 O ATOM 0 H ASP A 111 120.914 -5.358 -4.325 1.00 1.92 H new ATOM 0 HA ASP A 111 122.510 -4.302 -2.162 1.00 1.92 H new ATOM 0 HB2 ASP A 111 124.628 -4.134 -3.558 1.00 2.09 H new ATOM 0 HB3 ASP A 111 124.272 -5.750 -2.980 1.00 2.09 H new ATOM 1589 N ALA A 112 121.547 -3.352 -5.158 1.00 1.71 N ATOM 1590 CA ALA A 112 121.180 -2.119 -5.920 1.00 1.63 C ATOM 1591 C ALA A 112 122.398 -1.194 -5.998 1.00 1.84 C ATOM 1592 O ALA A 112 123.492 -1.566 -5.621 1.00 2.08 O ATOM 1593 CB ALA A 112 120.039 -1.397 -5.199 1.00 1.53 C ATOM 0 H ALA A 112 121.295 -4.236 -5.601 1.00 1.71 H new ATOM 0 HA ALA A 112 120.860 -2.391 -6.926 1.00 1.63 H new ATOM 0 HB1 ALA A 112 119.770 -0.498 -5.753 1.00 1.53 H new ATOM 0 HB2 ALA A 112 119.174 -2.057 -5.136 1.00 1.53 H new ATOM 0 HB3 ALA A 112 120.360 -1.122 -4.194 1.00 1.53 H new ATOM 1599 N ARG A 113 122.223 0.009 -6.476 1.00 2.07 N ATOM 1600 CA ARG A 113 123.380 0.946 -6.564 1.00 2.38 C ATOM 1601 C ARG A 113 122.867 2.388 -6.646 1.00 2.26 C ATOM 1602 O ARG A 113 121.736 2.683 -6.312 1.00 2.13 O ATOM 1603 CB ARG A 113 124.221 0.615 -7.824 1.00 2.71 C ATOM 1604 CG ARG A 113 125.719 0.763 -7.520 1.00 3.42 C ATOM 1605 CD ARG A 113 126.532 0.378 -8.758 1.00 4.01 C ATOM 1606 NE ARG A 113 127.968 0.236 -8.384 1.00 4.89 N ATOM 1607 CZ ARG A 113 128.796 -0.367 -9.193 1.00 5.44 C ATOM 1608 NH1 ARG A 113 128.365 -0.846 -10.328 1.00 5.93 N ATOM 1609 NH2 ARG A 113 130.053 -0.492 -8.867 1.00 5.81 N ATOM 0 H ARG A 113 121.333 0.382 -6.808 1.00 2.07 H new ATOM 0 HA ARG A 113 124.004 0.837 -5.677 1.00 2.38 H new ATOM 0 HB2 ARG A 113 124.009 -0.402 -8.154 1.00 2.71 H new ATOM 0 HB3 ARG A 113 123.941 1.280 -8.641 1.00 2.71 H new ATOM 0 HG2 ARG A 113 125.942 1.790 -7.230 1.00 3.42 H new ATOM 0 HG3 ARG A 113 125.995 0.127 -6.679 1.00 3.42 H new ATOM 0 HD2 ARG A 113 126.159 -0.558 -9.175 1.00 4.01 H new ATOM 0 HD3 ARG A 113 126.420 1.138 -9.531 1.00 4.01 H new ATOM 0 HE ARG A 113 128.303 0.610 -7.496 1.00 4.89 H new ATOM 0 HH11 ARG A 113 127.382 -0.749 -10.582 1.00 5.93 H new ATOM 0 HH12 ARG A 113 129.011 -1.317 -10.961 1.00 5.93 H new ATOM 0 HH21 ARG A 113 130.389 -0.118 -7.979 1.00 5.81 H new ATOM 0 HH22 ARG A 113 130.700 -0.963 -9.500 1.00 5.81 H new ATOM 1623 N ARG A 114 123.701 3.280 -7.102 1.00 2.56 N ATOM 1624 CA ARG A 114 123.304 4.710 -7.236 1.00 2.68 C ATOM 1625 C ARG A 114 123.970 5.258 -8.500 1.00 2.88 C ATOM 1626 O ARG A 114 123.845 6.417 -8.841 1.00 3.11 O ATOM 1627 CB ARG A 114 123.797 5.488 -6.013 1.00 3.13 C ATOM 1628 CG ARG A 114 123.248 6.919 -6.046 1.00 3.38 C ATOM 1629 CD ARG A 114 123.396 7.556 -4.663 1.00 3.88 C ATOM 1630 NE ARG A 114 124.841 7.665 -4.319 1.00 4.34 N ATOM 1631 CZ ARG A 114 125.221 8.436 -3.338 1.00 4.96 C ATOM 1632 NH1 ARG A 114 124.334 9.110 -2.659 1.00 5.24 N ATOM 1633 NH2 ARG A 114 126.487 8.533 -3.037 1.00 5.61 N ATOM 0 H ARG A 114 124.657 3.075 -7.392 1.00 2.56 H new ATOM 0 HA ARG A 114 122.221 4.809 -7.302 1.00 2.68 H new ATOM 0 HB2 ARG A 114 123.476 4.987 -5.100 1.00 3.13 H new ATOM 0 HB3 ARG A 114 124.887 5.508 -5.999 1.00 3.13 H new ATOM 0 HG2 ARG A 114 123.785 7.509 -6.789 1.00 3.38 H new ATOM 0 HG3 ARG A 114 122.199 6.911 -6.344 1.00 3.38 H new ATOM 0 HD2 ARG A 114 122.934 8.543 -4.654 1.00 3.88 H new ATOM 0 HD3 ARG A 114 122.878 6.954 -3.916 1.00 3.88 H new ATOM 0 HE ARG A 114 125.533 7.137 -4.850 1.00 4.34 H new ATOM 0 HH11 ARG A 114 123.345 9.034 -2.896 1.00 5.24 H new ATOM 0 HH12 ARG A 114 124.630 9.713 -1.892 1.00 5.24 H new ATOM 0 HH21 ARG A 114 127.180 8.006 -3.569 1.00 5.61 H new ATOM 0 HH22 ARG A 114 126.784 9.136 -2.270 1.00 5.61 H new ATOM 1647 N LEU A 115 124.673 4.404 -9.199 1.00 2.94 N ATOM 1648 CA LEU A 115 125.370 4.810 -10.463 1.00 3.30 C ATOM 1649 C LEU A 115 125.014 3.812 -11.573 1.00 3.36 C ATOM 1650 O LEU A 115 125.007 4.144 -12.742 1.00 3.66 O ATOM 1651 CB LEU A 115 126.887 4.793 -10.243 1.00 3.73 C ATOM 1652 CG LEU A 115 127.252 5.619 -9.002 1.00 3.89 C ATOM 1653 CD1 LEU A 115 128.723 5.384 -8.654 1.00 4.39 C ATOM 1654 CD2 LEU A 115 127.030 7.111 -9.279 1.00 4.19 C ATOM 0 H LEU A 115 124.797 3.424 -8.944 1.00 2.94 H new ATOM 0 HA LEU A 115 125.055 5.814 -10.746 1.00 3.30 H new ATOM 0 HB2 LEU A 115 127.232 3.767 -10.120 1.00 3.73 H new ATOM 0 HB3 LEU A 115 127.393 5.197 -11.120 1.00 3.73 H new ATOM 0 HG LEU A 115 126.619 5.312 -8.169 1.00 3.89 H new ATOM 0 HD11 LEU A 115 128.986 5.969 -7.773 1.00 4.39 H new ATOM 0 HD12 LEU A 115 128.884 4.326 -8.448 1.00 4.39 H new ATOM 0 HD13 LEU A 115 129.349 5.690 -9.493 1.00 4.39 H new ATOM 0 HD21 LEU A 115 127.292 7.689 -8.392 1.00 4.19 H new ATOM 0 HD22 LEU A 115 127.657 7.423 -10.114 1.00 4.19 H new ATOM 0 HD23 LEU A 115 125.983 7.283 -9.528 1.00 4.19 H new ATOM 1666 N THR A 116 124.696 2.594 -11.208 1.00 3.21 N ATOM 1667 CA THR A 116 124.312 1.562 -12.219 1.00 3.48 C ATOM 1668 C THR A 116 122.802 1.442 -12.178 1.00 3.22 C ATOM 1669 O THR A 116 122.097 2.034 -12.970 1.00 3.40 O ATOM 1670 CB THR A 116 124.951 0.219 -11.855 1.00 3.70 C ATOM 1671 OG1 THR A 116 126.366 0.352 -11.861 1.00 3.92 O ATOM 1672 CG2 THR A 116 124.531 -0.841 -12.874 1.00 4.09 C ATOM 0 H THR A 116 124.686 2.268 -10.241 1.00 3.21 H new ATOM 0 HA THR A 116 124.653 1.844 -13.215 1.00 3.48 H new ATOM 0 HB THR A 116 124.619 -0.084 -10.862 1.00 3.70 H new ATOM 0 HG1 THR A 116 126.760 -0.369 -12.395 1.00 3.92 H new ATOM 0 HG21 THR A 116 124.987 -1.796 -12.614 1.00 4.09 H new ATOM 0 HG22 THR A 116 123.446 -0.943 -12.867 1.00 4.09 H new ATOM 0 HG23 THR A 116 124.861 -0.541 -13.868 1.00 4.09 H new ATOM 1680 N VAL A 117 122.295 0.732 -11.218 1.00 2.90 N ATOM 1681 CA VAL A 117 120.825 0.637 -11.081 1.00 2.76 C ATOM 1682 C VAL A 117 120.335 2.058 -10.823 1.00 2.58 C ATOM 1683 O VAL A 117 119.155 2.344 -10.824 1.00 2.69 O ATOM 1684 CB VAL A 117 120.488 -0.253 -9.888 1.00 2.47 C ATOM 1685 CG1 VAL A 117 118.998 -0.139 -9.559 1.00 2.42 C ATOM 1686 CG2 VAL A 117 120.828 -1.706 -10.224 1.00 2.90 C ATOM 0 H VAL A 117 122.834 0.215 -10.524 1.00 2.90 H new ATOM 0 HA VAL A 117 120.358 0.210 -11.969 1.00 2.76 H new ATOM 0 HB VAL A 117 121.071 0.068 -9.025 1.00 2.47 H new ATOM 0 HG11 VAL A 117 118.764 -0.777 -8.707 1.00 2.42 H new ATOM 0 HG12 VAL A 117 118.757 0.896 -9.315 1.00 2.42 H new ATOM 0 HG13 VAL A 117 118.410 -0.455 -10.421 1.00 2.42 H new ATOM 0 HG21 VAL A 117 120.588 -2.342 -9.372 1.00 2.90 H new ATOM 0 HG22 VAL A 117 120.248 -2.024 -11.090 1.00 2.90 H new ATOM 0 HG23 VAL A 117 121.891 -1.788 -10.449 1.00 2.90 H new ATOM 1696 N THR A 118 121.279 2.942 -10.604 1.00 2.52 N ATOM 1697 CA THR A 118 120.982 4.375 -10.338 1.00 2.61 C ATOM 1698 C THR A 118 119.709 4.518 -9.511 1.00 2.56 C ATOM 1699 O THR A 118 118.743 5.133 -9.918 1.00 2.90 O ATOM 1700 CB THR A 118 120.881 5.137 -11.663 1.00 3.07 C ATOM 1701 OG1 THR A 118 120.477 6.475 -11.408 1.00 3.29 O ATOM 1702 CG2 THR A 118 119.873 4.468 -12.603 1.00 3.36 C ATOM 0 H THR A 118 122.274 2.716 -10.600 1.00 2.52 H new ATOM 0 HA THR A 118 121.796 4.807 -9.756 1.00 2.61 H new ATOM 0 HB THR A 118 121.859 5.128 -12.144 1.00 3.07 H new ATOM 0 HG1 THR A 118 119.576 6.477 -11.023 1.00 3.29 H new ATOM 0 HG21 THR A 118 119.819 5.028 -13.537 1.00 3.36 H new ATOM 0 HG22 THR A 118 120.191 3.446 -12.810 1.00 3.36 H new ATOM 0 HG23 THR A 118 118.890 4.453 -12.132 1.00 3.36 H new ATOM 1710 N SER A 119 119.720 3.958 -8.335 1.00 2.30 N ATOM 1711 CA SER A 119 118.538 4.048 -7.441 1.00 2.48 C ATOM 1712 C SER A 119 117.431 3.126 -7.960 1.00 2.56 C ATOM 1713 O SER A 119 116.985 3.339 -9.075 1.00 2.75 O ATOM 1714 CB SER A 119 118.034 5.495 -7.402 1.00 3.01 C ATOM 1715 OG SER A 119 117.023 5.672 -8.387 1.00 3.39 O ATOM 1716 OXT SER A 119 117.049 2.224 -7.233 1.00 2.94 O ATOM 0 H SER A 119 120.508 3.436 -7.952 1.00 2.30 H new ATOM 0 HA SER A 119 118.819 3.739 -6.434 1.00 2.48 H new ATOM 0 HB2 SER A 119 117.638 5.727 -6.413 1.00 3.01 H new ATOM 0 HB3 SER A 119 118.859 6.184 -7.584 1.00 3.01 H new ATOM 0 HG SER A 119 117.201 5.081 -9.148 1.00 3.39 H new TER 1722 SER A 119 ATOM 1723 N MET B 1 130.472 12.851 -9.432 1.00 6.36 N ATOM 1724 CA MET B 1 130.629 13.001 -7.957 1.00 6.04 C ATOM 1725 C MET B 1 129.238 12.986 -7.304 1.00 5.46 C ATOM 1726 O MET B 1 128.229 12.904 -7.973 1.00 5.64 O ATOM 1727 CB MET B 1 131.360 14.337 -7.659 1.00 6.48 C ATOM 1728 CG MET B 1 132.691 14.074 -6.941 1.00 6.99 C ATOM 1729 SD MET B 1 132.361 13.426 -5.284 1.00 7.68 S ATOM 1730 CE MET B 1 134.083 13.260 -4.756 1.00 8.49 C ATOM 0 H1 MET B 1 131.318 13.222 -9.911 1.00 6.36 H new ATOM 0 H2 MET B 1 130.354 11.845 -9.668 1.00 6.36 H new ATOM 0 H3 MET B 1 129.635 13.381 -9.748 1.00 6.36 H new ATOM 0 HA MET B 1 131.219 12.180 -7.550 1.00 6.04 H new ATOM 0 HB2 MET B 1 131.542 14.874 -8.590 1.00 6.48 H new ATOM 0 HB3 MET B 1 130.727 14.975 -7.042 1.00 6.48 H new ATOM 0 HG2 MET B 1 133.289 13.362 -7.510 1.00 6.99 H new ATOM 0 HG3 MET B 1 133.270 14.995 -6.875 1.00 6.99 H new ATOM 0 HE1 MET B 1 134.116 12.868 -3.740 1.00 8.49 H new ATOM 0 HE2 MET B 1 134.605 12.576 -5.426 1.00 8.49 H new ATOM 0 HE3 MET B 1 134.568 14.236 -4.784 1.00 8.49 H new ATOM 1742 N ALA B 2 129.182 13.067 -6.002 1.00 5.16 N ATOM 1743 CA ALA B 2 127.861 13.059 -5.313 1.00 4.97 C ATOM 1744 C ALA B 2 127.197 14.429 -5.472 1.00 4.52 C ATOM 1745 O ALA B 2 127.637 15.412 -4.909 1.00 4.69 O ATOM 1746 CB ALA B 2 128.061 12.758 -3.826 1.00 5.53 C ATOM 0 H ALA B 2 129.993 13.138 -5.387 1.00 5.16 H new ATOM 0 HA ALA B 2 127.225 12.292 -5.755 1.00 4.97 H new ATOM 0 HB1 ALA B 2 127.094 12.752 -3.323 1.00 5.53 H new ATOM 0 HB2 ALA B 2 128.535 11.783 -3.713 1.00 5.53 H new ATOM 0 HB3 ALA B 2 128.697 13.524 -3.382 1.00 5.53 H new ATOM 1752 N SER B 3 126.141 14.502 -6.241 1.00 4.40 N ATOM 1753 CA SER B 3 125.443 15.808 -6.447 1.00 4.40 C ATOM 1754 C SER B 3 124.276 15.929 -5.463 1.00 3.85 C ATOM 1755 O SER B 3 124.396 15.602 -4.299 1.00 3.91 O ATOM 1756 CB SER B 3 124.910 15.872 -7.878 1.00 5.06 C ATOM 1757 OG SER B 3 123.954 14.838 -8.070 1.00 5.43 O ATOM 0 H SER B 3 125.730 13.711 -6.737 1.00 4.40 H new ATOM 0 HA SER B 3 126.143 16.626 -6.278 1.00 4.40 H new ATOM 0 HB2 SER B 3 124.454 16.844 -8.065 1.00 5.06 H new ATOM 0 HB3 SER B 3 125.729 15.762 -8.589 1.00 5.06 H new ATOM 0 HG SER B 3 123.609 14.878 -8.986 1.00 5.43 H new ATOM 1763 N LYS B 4 123.148 16.400 -5.923 1.00 3.85 N ATOM 1764 CA LYS B 4 121.972 16.549 -5.018 1.00 3.83 C ATOM 1765 C LYS B 4 120.739 16.938 -5.848 1.00 3.53 C ATOM 1766 O LYS B 4 120.277 18.059 -5.760 1.00 3.55 O ATOM 1767 CB LYS B 4 122.256 17.656 -3.993 1.00 4.32 C ATOM 1768 CG LYS B 4 121.200 17.623 -2.870 1.00 4.99 C ATOM 1769 CD LYS B 4 121.616 16.627 -1.780 1.00 5.68 C ATOM 1770 CE LYS B 4 120.619 16.693 -0.622 1.00 6.49 C ATOM 1771 NZ LYS B 4 119.319 16.103 -1.050 1.00 6.87 N ATOM 0 H LYS B 4 122.990 16.689 -6.889 1.00 3.85 H new ATOM 0 HA LYS B 4 121.788 15.607 -4.502 1.00 3.83 H new ATOM 0 HB2 LYS B 4 123.252 17.524 -3.570 1.00 4.32 H new ATOM 0 HB3 LYS B 4 122.245 18.629 -4.485 1.00 4.32 H new ATOM 0 HG2 LYS B 4 121.086 18.618 -2.439 1.00 4.99 H new ATOM 0 HG3 LYS B 4 120.231 17.340 -3.281 1.00 4.99 H new ATOM 0 HD2 LYS B 4 121.649 15.617 -2.189 1.00 5.68 H new ATOM 0 HD3 LYS B 4 122.620 16.859 -1.424 1.00 5.68 H new ATOM 0 HE2 LYS B 4 121.010 16.152 0.240 1.00 6.49 H new ATOM 0 HE3 LYS B 4 120.476 17.728 -0.310 1.00 6.49 H new ATOM 0 HZ1 LYS B 4 118.712 15.961 -0.218 1.00 6.87 H new ATOM 0 HZ2 LYS B 4 118.848 16.748 -1.716 1.00 6.87 H new ATOM 0 HZ3 LYS B 4 119.489 15.188 -1.515 1.00 6.87 H new ATOM 1785 N PRO B 5 120.239 16.013 -6.641 1.00 3.77 N ATOM 1786 CA PRO B 5 119.063 16.281 -7.491 1.00 3.94 C ATOM 1787 C PRO B 5 117.854 16.649 -6.618 1.00 3.23 C ATOM 1788 O PRO B 5 117.502 17.804 -6.490 1.00 3.53 O ATOM 1789 CB PRO B 5 118.829 14.966 -8.277 1.00 4.81 C ATOM 1790 CG PRO B 5 119.953 13.970 -7.863 1.00 5.16 C ATOM 1791 CD PRO B 5 120.793 14.647 -6.756 1.00 4.43 C ATOM 0 HA PRO B 5 119.213 17.122 -8.169 1.00 3.94 H new ATOM 0 HB2 PRO B 5 117.847 14.552 -8.049 1.00 4.81 H new ATOM 0 HB3 PRO B 5 118.856 15.151 -9.351 1.00 4.81 H new ATOM 0 HG2 PRO B 5 119.523 13.036 -7.500 1.00 5.16 H new ATOM 0 HG3 PRO B 5 120.579 13.721 -8.720 1.00 5.16 H new ATOM 0 HD2 PRO B 5 120.712 14.107 -5.813 1.00 4.43 H new ATOM 0 HD3 PRO B 5 121.850 14.670 -7.020 1.00 4.43 H new ATOM 1799 N GLU B 6 117.215 15.679 -6.020 1.00 2.80 N ATOM 1800 CA GLU B 6 116.031 15.979 -5.162 1.00 2.51 C ATOM 1801 C GLU B 6 115.884 14.892 -4.097 1.00 1.85 C ATOM 1802 O GLU B 6 116.540 13.869 -4.144 1.00 2.47 O ATOM 1803 CB GLU B 6 114.766 16.013 -6.025 1.00 3.21 C ATOM 1804 CG GLU B 6 114.834 17.195 -6.996 1.00 4.08 C ATOM 1805 CD GLU B 6 113.455 17.430 -7.617 1.00 4.34 C ATOM 1806 OE1 GLU B 6 112.494 16.878 -7.108 1.00 4.54 O ATOM 1807 OE2 GLU B 6 113.384 18.160 -8.592 1.00 4.78 O ATOM 0 H GLU B 6 117.462 14.692 -6.088 1.00 2.80 H new ATOM 0 HA GLU B 6 116.171 16.947 -4.681 1.00 2.51 H new ATOM 0 HB2 GLU B 6 114.668 15.080 -6.580 1.00 3.21 H new ATOM 0 HB3 GLU B 6 113.884 16.101 -5.391 1.00 3.21 H new ATOM 0 HG2 GLU B 6 115.165 18.091 -6.471 1.00 4.08 H new ATOM 0 HG3 GLU B 6 115.567 16.995 -7.778 1.00 4.08 H new ATOM 1814 N LYS B 7 115.026 15.104 -3.138 1.00 1.12 N ATOM 1815 CA LYS B 7 114.833 14.083 -2.071 1.00 0.78 C ATOM 1816 C LYS B 7 113.963 12.946 -2.609 1.00 0.62 C ATOM 1817 O LYS B 7 113.534 12.962 -3.746 1.00 0.97 O ATOM 1818 CB LYS B 7 114.144 14.726 -0.864 1.00 1.25 C ATOM 1819 CG LYS B 7 115.085 15.745 -0.217 1.00 1.74 C ATOM 1820 CD LYS B 7 114.550 16.133 1.163 1.00 2.62 C ATOM 1821 CE LYS B 7 115.298 17.366 1.671 1.00 3.29 C ATOM 1822 NZ LYS B 7 115.003 17.568 3.117 1.00 4.09 N ATOM 0 H LYS B 7 114.450 15.941 -3.047 1.00 1.12 H new ATOM 0 HA LYS B 7 115.802 13.688 -1.766 1.00 0.78 H new ATOM 0 HB2 LYS B 7 113.222 15.215 -1.177 1.00 1.25 H new ATOM 0 HB3 LYS B 7 113.868 13.960 -0.139 1.00 1.25 H new ATOM 0 HG2 LYS B 7 116.086 15.324 -0.125 1.00 1.74 H new ATOM 0 HG3 LYS B 7 115.169 16.630 -0.848 1.00 1.74 H new ATOM 0 HD2 LYS B 7 113.482 16.341 1.105 1.00 2.62 H new ATOM 0 HD3 LYS B 7 114.677 15.305 1.860 1.00 2.62 H new ATOM 0 HE2 LYS B 7 116.370 17.240 1.522 1.00 3.29 H new ATOM 0 HE3 LYS B 7 114.998 18.246 1.102 1.00 3.29 H new ATOM 0 HZ1 LYS B 7 115.512 18.407 3.461 1.00 4.09 H new ATOM 0 HZ2 LYS B 7 113.980 17.706 3.247 1.00 4.09 H new ATOM 0 HZ3 LYS B 7 115.310 16.732 3.654 1.00 4.09 H new ATOM 1836 N ARG B 8 113.700 11.955 -1.798 1.00 0.48 N ATOM 1837 CA ARG B 8 112.858 10.805 -2.247 1.00 0.50 C ATOM 1838 C ARG B 8 111.432 11.018 -1.743 1.00 0.48 C ATOM 1839 O ARG B 8 111.175 11.893 -0.940 1.00 0.96 O ATOM 1840 CB ARG B 8 113.437 9.493 -1.668 1.00 0.67 C ATOM 1841 CG ARG B 8 114.948 9.660 -1.432 1.00 0.80 C ATOM 1842 CD ARG B 8 115.652 8.306 -1.475 1.00 1.18 C ATOM 1843 NE ARG B 8 117.120 8.538 -1.350 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.925 7.545 -1.113 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.453 6.338 -1.004 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.207 7.758 -0.992 1.00 2.64 N ATOM 0 H ARG B 8 114.035 11.892 -0.837 1.00 0.48 H new ATOM 0 HA ARG B 8 112.853 10.739 -3.335 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.937 9.244 -0.732 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.254 8.668 -2.356 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.369 10.319 -2.191 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.120 10.135 -0.466 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.298 7.668 -0.665 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.427 7.790 -2.409 1.00 1.18 H new ATOM 0 HE ARG B 8 117.495 9.481 -1.451 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.452 6.171 -1.104 1.00 3.04 H new ATOM 0 HH12 ARG B 8 118.084 5.558 -0.818 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.578 8.704 -1.083 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.838 6.979 -0.806 1.00 2.64 H new ATOM 1860 N VAL B 9 110.506 10.224 -2.192 1.00 0.42 N ATOM 1861 CA VAL B 9 109.110 10.388 -1.715 1.00 0.36 C ATOM 1862 C VAL B 9 109.125 10.350 -0.183 1.00 0.28 C ATOM 1863 O VAL B 9 110.063 9.865 0.418 1.00 0.38 O ATOM 1864 CB VAL B 9 108.254 9.251 -2.282 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.949 9.113 -1.489 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.925 9.547 -3.747 1.00 0.66 C ATOM 0 H VAL B 9 110.654 9.472 -2.865 1.00 0.42 H new ATOM 0 HA VAL B 9 108.687 11.336 -2.048 1.00 0.36 H new ATOM 0 HB VAL B 9 108.813 8.319 -2.205 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.354 8.301 -1.906 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.178 8.896 -0.446 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.386 10.044 -1.551 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.316 8.740 -4.153 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.375 10.486 -3.814 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.850 9.627 -4.319 1.00 0.66 H new ATOM 1876 N ALA B 10 108.105 10.871 0.449 1.00 0.27 N ATOM 1877 CA ALA B 10 108.061 10.887 1.948 1.00 0.35 C ATOM 1878 C ALA B 10 106.799 10.183 2.441 1.00 0.26 C ATOM 1879 O ALA B 10 105.777 10.179 1.784 1.00 0.40 O ATOM 1880 CB ALA B 10 108.048 12.338 2.431 1.00 0.58 C ATOM 0 H ALA B 10 107.295 11.289 -0.009 1.00 0.27 H new ATOM 0 HA ALA B 10 108.936 10.369 2.340 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.016 12.359 3.520 1.00 0.58 H new ATOM 0 HB2 ALA B 10 108.949 12.845 2.085 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.170 12.846 2.033 1.00 0.58 H new ATOM 1886 N SER B 11 106.865 9.589 3.602 1.00 0.23 N ATOM 1887 CA SER B 11 105.676 8.882 4.164 1.00 0.22 C ATOM 1888 C SER B 11 105.661 9.062 5.683 1.00 0.23 C ATOM 1889 O SER B 11 106.687 9.008 6.332 1.00 0.30 O ATOM 1890 CB SER B 11 105.763 7.393 3.823 1.00 0.36 C ATOM 1891 OG SER B 11 104.937 6.656 4.715 1.00 1.19 O ATOM 0 H SER B 11 107.698 9.563 4.190 1.00 0.23 H new ATOM 0 HA SER B 11 104.762 9.296 3.737 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.446 7.225 2.794 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.795 7.051 3.899 1.00 0.36 H new ATOM 0 HG SER B 11 104.990 5.702 4.497 1.00 1.19 H new ATOM 1897 N SER B 12 104.505 9.282 6.255 1.00 0.27 N ATOM 1898 CA SER B 12 104.416 9.474 7.737 1.00 0.35 C ATOM 1899 C SER B 12 103.169 8.768 8.268 1.00 0.31 C ATOM 1900 O SER B 12 102.054 9.117 7.934 1.00 0.41 O ATOM 1901 CB SER B 12 104.325 10.968 8.051 1.00 0.52 C ATOM 1902 OG SER B 12 105.394 11.649 7.407 1.00 1.38 O ATOM 0 H SER B 12 103.615 9.337 5.759 1.00 0.27 H new ATOM 0 HA SER B 12 105.303 9.054 8.212 1.00 0.35 H new ATOM 0 HB2 SER B 12 103.368 11.365 7.711 1.00 0.52 H new ATOM 0 HB3 SER B 12 104.373 11.129 9.128 1.00 0.52 H new ATOM 0 HG SER B 12 105.338 12.607 7.605 1.00 1.38 H new ATOM 1908 N VAL B 13 103.350 7.775 9.093 1.00 0.27 N ATOM 1909 CA VAL B 13 102.184 7.041 9.650 1.00 0.27 C ATOM 1910 C VAL B 13 102.614 6.298 10.914 1.00 0.32 C ATOM 1911 O VAL B 13 103.798 6.153 11.193 1.00 0.41 O ATOM 1912 CB VAL B 13 101.670 6.045 8.609 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.834 5.199 8.088 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.612 5.130 9.237 1.00 0.41 C ATOM 0 H VAL B 13 104.261 7.440 9.406 1.00 0.27 H new ATOM 0 HA VAL B 13 101.388 7.743 9.899 1.00 0.27 H new ATOM 0 HB VAL B 13 101.221 6.595 7.782 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.465 4.490 7.347 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.579 5.849 7.630 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.287 4.655 8.916 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.251 4.424 8.489 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.053 4.582 10.070 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.779 5.732 9.599 1.00 0.41 H new ATOM 1924 N PHE B 14 101.665 5.827 11.685 1.00 0.36 N ATOM 1925 CA PHE B 14 102.030 5.096 12.928 1.00 0.45 C ATOM 1926 C PHE B 14 100.800 4.569 13.667 1.00 0.34 C ATOM 1927 O PHE B 14 99.704 4.522 13.145 1.00 0.35 O ATOM 1928 CB PHE B 14 102.779 6.022 13.874 1.00 0.59 C ATOM 1929 CG PHE B 14 101.869 7.112 14.407 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.375 8.101 13.547 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.537 7.144 15.769 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.549 9.113 14.045 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.713 8.158 16.266 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.218 9.143 15.405 1.00 1.54 C ATOM 0 H PHE B 14 100.665 5.918 11.507 1.00 0.36 H new ATOM 0 HA PHE B 14 102.652 4.253 12.627 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.186 5.446 14.705 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.624 6.472 13.353 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.632 8.082 12.498 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.918 6.384 16.435 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.166 9.873 13.380 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.458 8.181 17.315 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.581 9.926 15.789 1.00 1.54 H new ATOM 1944 N ILE B 15 101.002 4.171 14.902 1.00 0.34 N ATOM 1945 CA ILE B 15 99.892 3.640 15.734 1.00 0.33 C ATOM 1946 C ILE B 15 100.184 3.978 17.205 1.00 0.31 C ATOM 1947 O ILE B 15 101.266 4.419 17.543 1.00 0.58 O ATOM 1948 CB ILE B 15 99.819 2.119 15.553 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.236 1.557 15.400 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.005 1.780 14.301 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.203 0.037 15.567 1.00 1.25 C ATOM 0 H ILE B 15 101.908 4.195 15.370 1.00 0.34 H new ATOM 0 HA ILE B 15 98.942 4.083 15.436 1.00 0.33 H new ATOM 0 HB ILE B 15 99.338 1.678 16.426 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.638 1.817 14.421 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.897 2.001 16.144 1.00 0.62 H new ATOM 0 HG21 ILE B 15 98.958 0.698 14.180 1.00 0.83 H new ATOM 0 HG22 ILE B 15 97.995 2.178 14.405 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.481 2.223 13.426 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.211 -0.363 15.458 1.00 1.25 H new ATOM 0 HD12 ILE B 15 100.819 -0.212 16.556 1.00 1.25 H new ATOM 0 HD13 ILE B 15 100.556 -0.399 14.806 1.00 1.25 H new ATOM 1963 N THR B 16 99.230 3.775 18.081 1.00 0.35 N ATOM 1964 CA THR B 16 99.451 4.089 19.531 1.00 0.47 C ATOM 1965 C THR B 16 98.910 2.949 20.396 1.00 0.31 C ATOM 1966 O THR B 16 97.778 2.531 20.256 1.00 0.35 O ATOM 1967 CB THR B 16 98.715 5.383 19.886 1.00 0.75 C ATOM 1968 OG1 THR B 16 97.318 5.195 19.707 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.201 6.513 18.978 1.00 1.40 C ATOM 0 H THR B 16 98.306 3.405 17.856 1.00 0.35 H new ATOM 0 HA THR B 16 100.519 4.208 19.715 1.00 0.47 H new ATOM 0 HB THR B 16 98.916 5.644 20.925 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.111 4.237 19.730 1.00 1.61 H new ATOM 0 HG21 THR B 16 98.676 7.434 19.231 1.00 1.40 H new ATOM 0 HG22 THR B 16 100.273 6.656 19.117 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.001 6.256 17.938 1.00 1.40 H new ATOM 1977 N LEU B 17 99.714 2.448 21.299 1.00 0.39 N ATOM 1978 CA LEU B 17 99.255 1.339 22.186 1.00 0.44 C ATOM 1979 C LEU B 17 98.643 1.933 23.458 1.00 0.31 C ATOM 1980 O LEU B 17 99.173 2.861 24.038 1.00 0.54 O ATOM 1981 CB LEU B 17 100.451 0.455 22.558 1.00 0.72 C ATOM 1982 CG LEU B 17 101.302 0.191 21.315 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.427 -0.786 21.666 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.427 -0.414 20.211 1.00 1.32 C ATOM 0 H LEU B 17 100.671 2.761 21.460 1.00 0.39 H new ATOM 0 HA LEU B 17 98.509 0.738 21.667 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.052 0.943 23.325 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.102 -0.488 22.979 1.00 0.72 H new ATOM 0 HG LEU B 17 101.730 1.130 20.964 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.034 -0.975 20.781 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.051 -0.356 22.449 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.998 -1.724 22.018 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.035 -0.601 19.326 1.00 1.32 H new ATOM 0 HD22 LEU B 17 99.997 -1.352 20.561 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.626 0.281 19.960 1.00 1.32 H new ATOM 1996 N ALA B 18 97.529 1.406 23.895 1.00 0.52 N ATOM 1997 CA ALA B 18 96.874 1.938 25.129 1.00 0.66 C ATOM 1998 C ALA B 18 96.242 0.779 25.914 1.00 0.98 C ATOM 1999 O ALA B 18 95.033 0.688 25.995 1.00 1.45 O ATOM 2000 CB ALA B 18 95.779 2.929 24.729 1.00 0.88 C ATOM 0 H ALA B 18 97.043 0.628 23.450 1.00 0.52 H new ATOM 0 HA ALA B 18 97.617 2.437 25.750 1.00 0.66 H new ATOM 0 HB1 ALA B 18 95.298 3.320 25.625 1.00 0.88 H new ATOM 0 HB2 ALA B 18 96.220 3.751 24.166 1.00 0.88 H new ATOM 0 HB3 ALA B 18 95.038 2.422 24.111 1.00 0.88 H new ATOM 2006 N PRO B 19 97.070 -0.080 26.472 1.00 0.94 N ATOM 2007 CA PRO B 19 96.573 -1.233 27.247 1.00 1.27 C ATOM 2008 C PRO B 19 95.742 -0.729 28.444 1.00 1.36 C ATOM 2009 O PRO B 19 95.760 0.448 28.743 1.00 1.39 O ATOM 2010 CB PRO B 19 97.849 -1.983 27.705 1.00 1.43 C ATOM 2011 CG PRO B 19 99.075 -1.228 27.110 1.00 1.50 C ATOM 2012 CD PRO B 19 98.543 0.023 26.379 1.00 1.03 C ATOM 0 HA PRO B 19 95.920 -1.889 26.672 1.00 1.27 H new ATOM 0 HB2 PRO B 19 97.907 -2.011 28.793 1.00 1.43 H new ATOM 0 HB3 PRO B 19 97.831 -3.017 27.360 1.00 1.43 H new ATOM 0 HG2 PRO B 19 99.770 -0.943 27.900 1.00 1.50 H new ATOM 0 HG3 PRO B 19 99.623 -1.870 26.420 1.00 1.50 H new ATOM 0 HD2 PRO B 19 98.905 0.938 26.847 1.00 1.03 H new ATOM 0 HD3 PRO B 19 98.873 0.044 25.340 1.00 1.03 H new ATOM 2020 N PRO B 20 95.035 -1.629 29.099 1.00 1.82 N ATOM 2021 CA PRO B 20 94.204 -1.256 30.260 1.00 2.19 C ATOM 2022 C PRO B 20 95.068 -0.561 31.323 1.00 2.03 C ATOM 2023 O PRO B 20 95.947 -1.159 31.911 1.00 2.30 O ATOM 2024 CB PRO B 20 93.624 -2.594 30.782 1.00 2.76 C ATOM 2025 CG PRO B 20 94.164 -3.729 29.862 1.00 2.86 C ATOM 2026 CD PRO B 20 95.006 -3.066 28.748 1.00 2.30 C ATOM 0 HA PRO B 20 93.410 -0.554 30.004 1.00 2.19 H new ATOM 0 HB2 PRO B 20 93.923 -2.764 31.816 1.00 2.76 H new ATOM 0 HB3 PRO B 20 92.534 -2.572 30.765 1.00 2.76 H new ATOM 0 HG2 PRO B 20 94.771 -4.430 30.435 1.00 2.86 H new ATOM 0 HG3 PRO B 20 93.340 -4.298 29.432 1.00 2.86 H new ATOM 0 HD2 PRO B 20 96.012 -3.484 28.711 1.00 2.30 H new ATOM 0 HD3 PRO B 20 94.558 -3.224 27.767 1.00 2.30 H new ATOM 2034 N ARG B 21 94.820 0.696 31.571 1.00 2.36 N ATOM 2035 CA ARG B 21 95.623 1.427 32.593 1.00 2.57 C ATOM 2036 C ARG B 21 95.651 0.618 33.891 1.00 2.31 C ATOM 2037 O ARG B 21 96.407 0.906 34.798 1.00 2.48 O ATOM 2038 CB ARG B 21 94.990 2.797 32.856 1.00 3.03 C ATOM 2039 CG ARG B 21 94.708 3.494 31.523 1.00 3.84 C ATOM 2040 CD ARG B 21 94.201 4.914 31.783 1.00 4.42 C ATOM 2041 NE ARG B 21 94.019 5.620 30.484 1.00 4.90 N ATOM 2042 CZ ARG B 21 93.323 6.723 30.431 1.00 5.50 C ATOM 2043 NH1 ARG B 21 92.786 7.208 31.517 1.00 5.76 N ATOM 2044 NH2 ARG B 21 93.163 7.340 29.292 1.00 6.12 N ATOM 0 H ARG B 21 94.097 1.248 31.111 1.00 2.36 H new ATOM 0 HA ARG B 21 96.641 1.563 32.228 1.00 2.57 H new ATOM 0 HB2 ARG B 21 94.065 2.680 33.420 1.00 3.03 H new ATOM 0 HB3 ARG B 21 95.658 3.407 33.463 1.00 3.03 H new ATOM 0 HG2 ARG B 21 95.615 3.526 30.919 1.00 3.84 H new ATOM 0 HG3 ARG B 21 93.967 2.931 30.956 1.00 3.84 H new ATOM 0 HD2 ARG B 21 93.257 4.881 32.327 1.00 4.42 H new ATOM 0 HD3 ARG B 21 94.910 5.456 32.408 1.00 4.42 H new ATOM 0 HE ARG B 21 94.439 5.241 29.635 1.00 4.90 H new ATOM 0 HH11 ARG B 21 92.910 6.725 32.407 1.00 5.76 H new ATOM 0 HH12 ARG B 21 92.242 8.070 31.476 1.00 5.76 H new ATOM 0 HH21 ARG B 21 93.582 6.960 28.443 1.00 6.12 H new ATOM 0 HH22 ARG B 21 92.619 8.202 29.251 1.00 6.12 H new ATOM 2058 N ARG B 22 94.834 -0.396 33.985 1.00 2.49 N ATOM 2059 CA ARG B 22 94.812 -1.227 35.222 1.00 2.63 C ATOM 2060 C ARG B 22 94.635 -0.319 36.444 1.00 3.03 C ATOM 2061 O ARG B 22 93.707 0.462 36.517 1.00 3.54 O ATOM 2062 CB ARG B 22 96.129 -2.008 35.334 1.00 3.15 C ATOM 2063 CG ARG B 22 95.958 -3.177 36.311 1.00 3.73 C ATOM 2064 CD ARG B 22 97.230 -4.027 36.321 1.00 4.34 C ATOM 2065 NE ARG B 22 98.372 -3.208 36.816 1.00 4.97 N ATOM 2066 CZ ARG B 22 99.478 -3.791 37.191 1.00 5.65 C ATOM 2067 NH1 ARG B 22 99.584 -5.091 37.130 1.00 6.29 N ATOM 2068 NH2 ARG B 22 100.478 -3.075 37.627 1.00 5.95 N ATOM 0 H ARG B 22 94.180 -0.685 33.257 1.00 2.49 H new ATOM 0 HA ARG B 22 93.981 -1.931 35.178 1.00 2.63 H new ATOM 0 HB2 ARG B 22 96.425 -2.382 34.354 1.00 3.15 H new ATOM 0 HB3 ARG B 22 96.926 -1.348 35.678 1.00 3.15 H new ATOM 0 HG2 ARG B 22 95.753 -2.800 37.313 1.00 3.73 H new ATOM 0 HG3 ARG B 22 95.103 -3.787 36.018 1.00 3.73 H new ATOM 0 HD2 ARG B 22 97.092 -4.900 36.959 1.00 4.34 H new ATOM 0 HD3 ARG B 22 97.441 -4.396 35.317 1.00 4.34 H new ATOM 0 HE ARG B 22 98.290 -2.192 36.862 1.00 4.97 H new ATOM 0 HH11 ARG B 22 98.803 -5.651 36.789 1.00 6.29 H new ATOM 0 HH12 ARG B 22 100.448 -5.547 37.423 1.00 6.29 H new ATOM 0 HH21 ARG B 22 100.396 -2.059 37.675 1.00 5.95 H new ATOM 0 HH22 ARG B 22 101.342 -3.531 37.920 1.00 5.95 H new ATOM 2082 N ASP B 23 95.512 -0.417 37.408 1.00 3.45 N ATOM 2083 CA ASP B 23 95.391 0.436 38.627 1.00 4.32 C ATOM 2084 C ASP B 23 96.184 1.728 38.430 1.00 4.48 C ATOM 2085 O ASP B 23 96.854 1.912 37.432 1.00 4.75 O ATOM 2086 CB ASP B 23 95.949 -0.324 39.831 1.00 5.13 C ATOM 2087 CG ASP B 23 94.975 -1.434 40.230 1.00 5.30 C ATOM 2088 OD1 ASP B 23 93.862 -1.110 40.609 1.00 5.51 O ATOM 2089 OD2 ASP B 23 95.360 -2.589 40.150 1.00 5.62 O ATOM 0 H ASP B 23 96.309 -1.053 37.404 1.00 3.45 H new ATOM 0 HA ASP B 23 94.342 0.679 38.799 1.00 4.32 H new ATOM 0 HB2 ASP B 23 96.922 -0.750 39.586 1.00 5.13 H new ATOM 0 HB3 ASP B 23 96.101 0.359 40.667 1.00 5.13 H new ATOM 2094 N VAL B 24 96.114 2.625 39.376 1.00 4.81 N ATOM 2095 CA VAL B 24 96.864 3.906 39.247 1.00 5.43 C ATOM 2096 C VAL B 24 96.791 4.673 40.569 1.00 5.81 C ATOM 2097 O VAL B 24 97.762 5.332 40.903 1.00 6.21 O ATOM 2098 CB VAL B 24 96.243 4.750 38.133 1.00 5.94 C ATOM 2099 CG1 VAL B 24 94.773 5.025 38.457 1.00 6.48 C ATOM 2100 CG2 VAL B 24 96.997 6.077 38.023 1.00 6.36 C ATOM 2101 OXT VAL B 24 95.766 4.589 41.224 1.00 6.07 O ATOM 0 H VAL B 24 95.569 2.526 40.233 1.00 4.81 H new ATOM 0 HA VAL B 24 97.906 3.695 39.005 1.00 5.43 H new ATOM 0 HB VAL B 24 96.310 4.211 37.188 1.00 5.94 H new ATOM 0 HG11 VAL B 24 94.332 5.627 37.662 1.00 6.48 H new ATOM 0 HG12 VAL B 24 94.235 4.080 38.538 1.00 6.48 H new ATOM 0 HG13 VAL B 24 94.703 5.564 39.402 1.00 6.48 H new ATOM 0 HG21 VAL B 24 96.557 6.681 37.230 1.00 6.36 H new ATOM 0 HG22 VAL B 24 96.928 6.614 38.969 1.00 6.36 H new ATOM 0 HG23 VAL B 24 98.044 5.882 37.792 1.00 6.36 H new TER 2111 VAL B 24