USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 517 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 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -0.0895 F(o=-1.5,f=-0.09) USER MOD Single : A 11 THR OG1 : rot -140:sc= -0.378 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -150:sc= -0.0845 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HE2:sc= -3.27 F(o=-4.7,f=-3.3) USER MOD Single : A 31 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.068) USER MOD Single : A 33 SER OG : rot 140:sc= 0.924 USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= 0.579 (180deg=0.312) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -148:sc= -1.78 (180deg=-2.99!) USER MOD Single : A 48 HIS : no HE2:sc= -0.457 X(o=-0.46,f=-0.59) USER MOD Single : A 57 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.027) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 68 SER OG : rot 88:sc= 1.23 USER MOD Single : A 70 THR OG1 : rot 151:sc= 2.03 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -9.989 7.040 -4.429 1.00 1.46 N ATOM 2 CA GLY A 10 -9.240 6.273 -3.407 1.00 1.08 C ATOM 3 C GLY A 10 -9.858 4.919 -3.139 1.00 0.90 C ATOM 4 O GLY A 10 -10.433 4.306 -4.039 1.00 1.21 O ATOM 0 HA2 GLY A 10 -8.210 6.141 -3.738 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -9.206 6.845 -2.479 1.00 1.08 H new ATOM 8 N THR A 11 -9.729 4.442 -1.906 1.00 0.72 N ATOM 9 CA THR A 11 -10.323 3.184 -1.500 1.00 0.56 C ATOM 10 C THR A 11 -10.649 3.248 -0.005 1.00 0.60 C ATOM 11 O THR A 11 -11.017 4.303 0.508 1.00 1.21 O ATOM 12 CB THR A 11 -9.385 1.990 -1.794 1.00 0.62 C ATOM 13 OG1 THR A 11 -8.599 2.249 -2.961 1.00 0.87 O ATOM 14 CG2 THR A 11 -10.174 0.708 -2.017 1.00 0.53 C ATOM 0 H THR A 11 -9.211 4.917 -1.167 1.00 0.72 H new ATOM 0 HA THR A 11 -11.236 3.027 -2.075 1.00 0.56 H new ATOM 0 HB THR A 11 -8.738 1.866 -0.926 1.00 0.62 H new ATOM 0 HG1 THR A 11 -8.525 1.430 -3.494 1.00 0.87 H new ATOM 0 HG21 THR A 11 -9.486 -0.112 -2.221 1.00 0.53 H new ATOM 0 HG22 THR A 11 -10.756 0.479 -1.124 1.00 0.53 H new ATOM 0 HG23 THR A 11 -10.846 0.837 -2.865 1.00 0.53 H new ATOM 22 N TYR A 12 -10.479 2.139 0.695 1.00 0.44 N ATOM 23 CA TYR A 12 -10.908 2.022 2.086 1.00 0.37 C ATOM 24 C TYR A 12 -9.898 1.210 2.876 1.00 0.37 C ATOM 25 O TYR A 12 -8.794 0.942 2.396 1.00 0.41 O ATOM 26 CB TYR A 12 -12.248 1.312 2.159 1.00 0.41 C ATOM 27 CG TYR A 12 -13.139 1.597 0.986 1.00 0.47 C ATOM 28 CD1 TYR A 12 -13.945 2.719 0.958 1.00 0.56 C ATOM 29 CD2 TYR A 12 -13.147 0.749 -0.104 1.00 0.57 C ATOM 30 CE1 TYR A 12 -14.744 2.987 -0.131 1.00 0.64 C ATOM 31 CE2 TYR A 12 -13.931 1.005 -1.195 1.00 0.67 C ATOM 32 CZ TYR A 12 -14.736 2.126 -1.210 1.00 0.66 C ATOM 33 OH TYR A 12 -15.524 2.392 -2.306 1.00 0.79 O ATOM 0 H TYR A 12 -10.042 1.296 0.321 1.00 0.44 H new ATOM 0 HA TYR A 12 -10.991 3.025 2.504 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.078 0.237 2.224 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -12.759 1.610 3.075 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -13.948 3.394 1.801 1.00 0.56 H new ATOM 0 HD2 TYR A 12 -12.523 -0.132 -0.095 1.00 0.57 H new ATOM 0 HE1 TYR A 12 -15.373 3.865 -0.141 1.00 0.64 H new ATOM 0 HE2 TYR A 12 -13.920 0.333 -2.041 1.00 0.67 H new ATOM 0 HH TYR A 12 -15.400 1.688 -2.977 1.00 0.79 H new ATOM 43 N ARG A 13 -10.294 0.821 4.076 1.00 0.38 N ATOM 44 CA ARG A 13 -9.572 -0.169 4.858 1.00 0.40 C ATOM 45 C ARG A 13 -10.490 -0.712 5.943 1.00 0.54 C ATOM 46 O ARG A 13 -11.347 0.012 6.448 1.00 0.76 O ATOM 47 CB ARG A 13 -8.311 0.423 5.481 1.00 0.49 C ATOM 48 CG ARG A 13 -7.598 -0.543 6.417 1.00 0.61 C ATOM 49 CD ARG A 13 -6.440 0.120 7.124 1.00 0.36 C ATOM 50 NE ARG A 13 -6.866 1.281 7.904 1.00 0.97 N ATOM 51 CZ ARG A 13 -6.623 1.447 9.205 1.00 0.99 C ATOM 52 NH1 ARG A 13 -5.969 0.518 9.895 1.00 1.29 N ATOM 53 NH2 ARG A 13 -7.045 2.544 9.819 1.00 1.67 N ATOM 0 H ARG A 13 -11.128 1.184 4.537 1.00 0.38 H new ATOM 0 HA ARG A 13 -9.261 -0.977 4.196 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -7.627 0.722 4.687 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -8.574 1.326 6.032 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -8.305 -0.925 7.154 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.236 -1.400 5.849 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -5.956 -0.601 7.783 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -5.696 0.430 6.390 1.00 0.36 H new ATOM 0 HE ARG A 13 -7.384 2.014 7.420 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -5.648 -0.331 9.430 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -5.788 0.654 10.890 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -7.554 3.257 9.297 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -6.861 2.674 10.814 1.00 1.67 H new ATOM 67 N GLY A 14 -10.324 -1.986 6.280 1.00 0.54 N ATOM 68 CA GLY A 14 -11.147 -2.597 7.310 1.00 0.68 C ATOM 69 C GLY A 14 -12.624 -2.604 6.963 1.00 0.77 C ATOM 70 O GLY A 14 -13.457 -2.157 7.753 1.00 1.39 O ATOM 0 H GLY A 14 -9.634 -2.608 5.859 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -10.813 -3.622 7.474 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -11.002 -2.061 8.248 1.00 0.68 H new ATOM 74 N ARG A 15 -12.951 -3.108 5.780 1.00 0.70 N ATOM 75 CA ARG A 15 -14.341 -3.180 5.338 1.00 0.80 C ATOM 76 C ARG A 15 -14.499 -4.156 4.186 1.00 0.91 C ATOM 77 O ARG A 15 -15.295 -3.941 3.273 1.00 1.43 O ATOM 78 CB ARG A 15 -14.878 -1.785 4.963 1.00 0.84 C ATOM 79 CG ARG A 15 -13.981 -0.984 4.028 1.00 0.83 C ATOM 80 CD ARG A 15 -14.332 -1.193 2.562 1.00 0.65 C ATOM 81 NE ARG A 15 -15.690 -0.753 2.251 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.315 -1.001 1.099 1.00 1.18 C ATOM 83 NH1 ARG A 15 -15.720 -1.717 0.153 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.536 -0.528 0.894 1.00 1.29 N ATOM 0 H ARG A 15 -12.275 -3.473 5.109 1.00 0.70 H new ATOM 0 HA ARG A 15 -14.936 -3.552 6.172 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -15.855 -1.902 4.494 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -15.029 -1.212 5.878 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -14.063 0.076 4.270 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -12.942 -1.269 4.194 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -13.623 -0.647 1.939 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -14.228 -2.249 2.312 1.00 0.65 H new ATOM 0 HE ARG A 15 -16.193 -0.221 2.961 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -14.779 -2.081 0.305 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -16.203 -1.903 -0.726 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -17.997 0.025 1.617 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -18.015 -0.717 0.013 1.00 1.29 H new ATOM 98 N GLY A 16 -13.762 -5.250 4.255 1.00 0.78 N ATOM 99 CA GLY A 16 -13.756 -6.196 3.166 1.00 0.88 C ATOM 100 C GLY A 16 -13.009 -5.640 1.984 1.00 0.76 C ATOM 101 O GLY A 16 -13.310 -5.961 0.836 1.00 1.05 O ATOM 0 H GLY A 16 -13.168 -5.499 5.046 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -13.293 -7.128 3.490 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -14.780 -6.432 2.877 1.00 0.88 H new ATOM 105 N VAL A 17 -12.043 -4.775 2.279 1.00 0.43 N ATOM 106 CA VAL A 17 -11.282 -4.088 1.241 1.00 0.29 C ATOM 107 C VAL A 17 -10.660 -5.020 0.235 1.00 0.25 C ATOM 108 O VAL A 17 -9.979 -5.987 0.575 1.00 0.33 O ATOM 109 CB VAL A 17 -10.188 -3.159 1.792 1.00 0.23 C ATOM 110 CG1 VAL A 17 -10.775 -1.787 1.985 1.00 0.27 C ATOM 111 CG2 VAL A 17 -9.603 -3.708 3.084 1.00 0.26 C ATOM 0 H VAL A 17 -11.768 -4.533 3.231 1.00 0.43 H new ATOM 0 HA VAL A 17 -12.036 -3.481 0.739 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.364 -3.098 1.081 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.010 -1.116 2.376 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.136 -1.408 1.029 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.604 -1.842 2.690 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.832 -3.031 3.451 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -10.392 -3.799 3.831 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -9.166 -4.689 2.897 1.00 0.26 H new ATOM 121 N ALA A 18 -10.920 -4.703 -1.010 1.00 0.25 N ATOM 122 CA ALA A 18 -10.297 -5.382 -2.120 1.00 0.27 C ATOM 123 C ALA A 18 -9.294 -4.451 -2.760 1.00 0.23 C ATOM 124 O ALA A 18 -8.520 -4.856 -3.628 1.00 0.25 O ATOM 125 CB ALA A 18 -11.334 -5.848 -3.131 1.00 0.35 C ATOM 0 H ALA A 18 -11.570 -3.966 -1.283 1.00 0.25 H new ATOM 0 HA ALA A 18 -9.784 -6.272 -1.756 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -10.835 -6.356 -3.956 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -12.029 -6.535 -2.649 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -11.882 -4.987 -3.513 1.00 0.35 H new ATOM 131 N LEU A 19 -9.327 -3.186 -2.309 1.00 0.21 N ATOM 132 CA LEU A 19 -8.389 -2.170 -2.751 1.00 0.20 C ATOM 133 C LEU A 19 -8.513 -2.000 -4.282 1.00 0.25 C ATOM 134 O LEU A 19 -9.338 -2.666 -4.912 1.00 0.49 O ATOM 135 CB LEU A 19 -6.999 -2.607 -2.252 1.00 0.20 C ATOM 136 CG LEU A 19 -5.820 -1.655 -2.374 1.00 0.28 C ATOM 137 CD1 LEU A 19 -5.233 -1.669 -3.749 1.00 0.99 C ATOM 138 CD2 LEU A 19 -6.195 -0.254 -1.955 1.00 1.14 C ATOM 0 H LEU A 19 -10.009 -2.851 -1.628 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.589 -1.180 -2.341 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.099 -2.868 -1.198 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -6.735 -3.521 -2.783 1.00 0.20 H new ATOM 0 HG LEU A 19 -5.051 -2.011 -1.689 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -4.393 -0.975 -3.793 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -4.886 -2.675 -3.986 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -5.991 -1.367 -4.471 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -5.329 0.400 -2.055 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -7.001 0.112 -2.591 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -6.526 -0.261 -0.917 1.00 1.14 H new ATOM 150 N THR A 20 -7.785 -1.082 -4.890 1.00 0.37 N ATOM 151 CA THR A 20 -7.759 -1.025 -6.338 1.00 0.37 C ATOM 152 C THR A 20 -7.087 -2.283 -6.906 1.00 0.35 C ATOM 153 O THR A 20 -6.540 -3.104 -6.164 1.00 0.44 O ATOM 154 CB THR A 20 -7.068 0.250 -6.871 1.00 0.48 C ATOM 155 OG1 THR A 20 -7.205 0.338 -8.299 1.00 0.88 O ATOM 156 CG2 THR A 20 -5.597 0.279 -6.499 1.00 0.45 C ATOM 0 H THR A 20 -7.216 -0.381 -4.416 1.00 0.37 H new ATOM 0 HA THR A 20 -8.794 -0.985 -6.677 1.00 0.37 H new ATOM 0 HB THR A 20 -7.558 1.106 -6.407 1.00 0.48 H new ATOM 0 HG1 THR A 20 -6.432 0.811 -8.673 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.141 1.189 -6.889 1.00 0.45 H new ATOM 0 HG22 THR A 20 -5.496 0.259 -5.414 1.00 0.45 H new ATOM 0 HG23 THR A 20 -5.096 -0.590 -6.926 1.00 0.45 H new ATOM 164 N ASP A 21 -7.141 -2.424 -8.213 1.00 0.35 N ATOM 165 CA ASP A 21 -6.734 -3.662 -8.878 1.00 0.37 C ATOM 166 C ASP A 21 -5.280 -4.022 -8.614 1.00 0.32 C ATOM 167 O ASP A 21 -4.987 -5.097 -8.088 1.00 0.37 O ATOM 168 CB ASP A 21 -6.958 -3.553 -10.384 1.00 0.44 C ATOM 169 CG ASP A 21 -8.401 -3.277 -10.734 1.00 1.28 C ATOM 170 OD1 ASP A 21 -9.215 -4.226 -10.713 1.00 1.65 O ATOM 171 OD2 ASP A 21 -8.727 -2.114 -11.040 1.00 2.15 O ATOM 0 H ASP A 21 -7.464 -1.695 -8.848 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.353 -4.456 -8.460 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -6.331 -2.756 -10.785 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -6.642 -4.479 -10.863 1.00 0.44 H new ATOM 176 N ASP A 22 -4.375 -3.126 -8.968 1.00 0.29 N ATOM 177 CA ASP A 22 -2.949 -3.425 -8.907 1.00 0.28 C ATOM 178 C ASP A 22 -2.472 -3.632 -7.479 1.00 0.22 C ATOM 179 O ASP A 22 -2.034 -4.716 -7.116 1.00 0.22 O ATOM 180 CB ASP A 22 -2.129 -2.303 -9.552 1.00 0.38 C ATOM 181 CG ASP A 22 -2.330 -2.202 -11.050 1.00 1.06 C ATOM 182 OD1 ASP A 22 -3.303 -1.547 -11.482 1.00 2.05 O ATOM 183 OD2 ASP A 22 -1.519 -2.786 -11.803 1.00 1.01 O ATOM 0 H ASP A 22 -4.598 -2.188 -9.300 1.00 0.29 H new ATOM 0 HA ASP A 22 -2.800 -4.353 -9.459 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -2.399 -1.353 -9.091 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -1.072 -2.469 -9.344 1.00 0.38 H new ATOM 188 N GLU A 23 -2.586 -2.584 -6.680 1.00 0.23 N ATOM 189 CA GLU A 23 -1.947 -2.525 -5.365 1.00 0.24 C ATOM 190 C GLU A 23 -2.321 -3.663 -4.424 1.00 0.17 C ATOM 191 O GLU A 23 -1.529 -4.016 -3.565 1.00 0.17 O ATOM 192 CB GLU A 23 -2.236 -1.195 -4.709 1.00 0.34 C ATOM 193 CG GLU A 23 -1.823 -0.032 -5.592 1.00 0.60 C ATOM 194 CD GLU A 23 -2.000 1.302 -4.930 1.00 1.17 C ATOM 195 OE1 GLU A 23 -2.061 1.347 -3.686 1.00 1.66 O ATOM 196 OE2 GLU A 23 -2.066 2.312 -5.650 1.00 2.01 O ATOM 0 H GLU A 23 -3.122 -1.749 -6.919 1.00 0.23 H new ATOM 0 HA GLU A 23 -0.879 -2.639 -5.552 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -3.301 -1.123 -4.486 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -1.707 -1.136 -3.758 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -0.778 -0.153 -5.877 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -2.409 -0.055 -6.511 1.00 0.60 H new ATOM 203 N TYR A 24 -3.515 -4.219 -4.544 1.00 0.13 N ATOM 204 CA TYR A 24 -3.889 -5.352 -3.707 1.00 0.12 C ATOM 205 C TYR A 24 -3.015 -6.565 -4.054 1.00 0.12 C ATOM 206 O TYR A 24 -2.329 -7.124 -3.198 1.00 0.14 O ATOM 207 CB TYR A 24 -5.374 -5.657 -3.905 1.00 0.12 C ATOM 208 CG TYR A 24 -5.959 -6.659 -2.918 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.832 -8.045 -3.100 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.623 -6.212 -1.782 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.356 -8.930 -2.174 1.00 0.17 C ATOM 212 CE2 TYR A 24 -7.142 -7.096 -0.858 1.00 0.14 C ATOM 213 CZ TYR A 24 -7.053 -8.535 -1.169 1.00 0.15 C ATOM 214 OH TYR A 24 -7.519 -9.336 -0.134 1.00 0.22 O ATOM 0 H TYR A 24 -4.233 -3.913 -5.201 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.725 -5.112 -2.656 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -5.935 -4.725 -3.830 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.521 -6.037 -4.916 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.320 -8.425 -3.972 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.735 -5.150 -1.619 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -6.173 -9.987 -2.300 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.596 -6.747 0.058 1.00 0.14 H new ATOM 0 HH TYR A 24 -8.022 -8.787 0.503 1.00 0.22 H new ATOM 224 N ASP A 25 -3.066 -6.966 -5.314 1.00 0.14 N ATOM 225 CA ASP A 25 -2.161 -7.991 -5.844 1.00 0.18 C ATOM 226 C ASP A 25 -0.696 -7.636 -5.553 1.00 0.16 C ATOM 227 O ASP A 25 0.105 -8.480 -5.129 1.00 0.17 O ATOM 228 CB ASP A 25 -2.379 -8.141 -7.351 1.00 0.25 C ATOM 229 CG ASP A 25 -1.522 -9.231 -7.967 1.00 1.04 C ATOM 230 OD1 ASP A 25 -1.625 -10.399 -7.533 1.00 1.80 O ATOM 231 OD2 ASP A 25 -0.741 -8.925 -8.889 1.00 1.58 O ATOM 0 H ASP A 25 -3.727 -6.598 -5.998 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.382 -8.937 -5.350 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -3.430 -8.361 -7.541 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -2.159 -7.193 -7.841 1.00 0.25 H new ATOM 236 N GLU A 26 -0.365 -6.374 -5.759 1.00 0.15 N ATOM 237 CA GLU A 26 0.983 -5.872 -5.523 1.00 0.15 C ATOM 238 C GLU A 26 1.332 -5.848 -4.030 1.00 0.12 C ATOM 239 O GLU A 26 2.504 -5.834 -3.667 1.00 0.12 O ATOM 240 CB GLU A 26 1.128 -4.472 -6.108 1.00 0.22 C ATOM 241 CG GLU A 26 1.074 -4.413 -7.628 1.00 0.50 C ATOM 242 CD GLU A 26 2.238 -5.119 -8.294 1.00 0.65 C ATOM 243 OE1 GLU A 26 3.344 -4.547 -8.337 1.00 0.59 O ATOM 244 OE2 GLU A 26 2.049 -6.243 -8.799 1.00 1.27 O ATOM 0 H GLU A 26 -1.019 -5.667 -6.094 1.00 0.15 H new ATOM 0 HA GLU A 26 1.677 -6.552 -6.016 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.337 -3.840 -5.704 1.00 0.22 H new ATOM 0 HB3 GLU A 26 2.076 -4.049 -5.774 1.00 0.22 H new ATOM 0 HG2 GLU A 26 0.141 -4.862 -7.970 1.00 0.50 H new ATOM 0 HG3 GLU A 26 1.061 -3.370 -7.945 1.00 0.50 H new ATOM 251 N TRP A 27 0.317 -5.825 -3.169 1.00 0.11 N ATOM 252 CA TRP A 27 0.526 -5.918 -1.724 1.00 0.10 C ATOM 253 C TRP A 27 1.124 -7.267 -1.384 1.00 0.10 C ATOM 254 O TRP A 27 1.970 -7.385 -0.498 1.00 0.11 O ATOM 255 CB TRP A 27 -0.795 -5.711 -0.967 1.00 0.10 C ATOM 256 CG TRP A 27 -0.922 -6.509 0.305 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.288 -6.290 1.502 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.748 -7.661 0.498 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.682 -7.231 2.417 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.579 -8.079 1.827 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.622 -8.376 -0.324 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.249 -9.175 2.353 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.287 -9.468 0.199 1.00 0.16 C ATOM 264 CH2 TRP A 27 -3.100 -9.857 1.529 1.00 0.16 C ATOM 0 H TRP A 27 -0.661 -5.743 -3.447 1.00 0.11 H new ATOM 0 HA TRP A 27 1.216 -5.132 -1.417 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -0.899 -4.653 -0.728 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.622 -5.972 -1.628 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.417 -5.494 1.694 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.359 -7.290 3.383 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.775 -8.080 -1.351 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -2.103 -9.479 3.379 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.962 -10.030 -0.429 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.638 -10.712 1.912 1.00 0.16 H new ATOM 275 N ARG A 28 0.682 -8.275 -2.111 1.00 0.12 N ATOM 276 CA ARG A 28 1.208 -9.611 -1.944 1.00 0.13 C ATOM 277 C ARG A 28 2.695 -9.623 -2.309 1.00 0.13 C ATOM 278 O ARG A 28 3.487 -10.373 -1.734 1.00 0.15 O ATOM 279 CB ARG A 28 0.401 -10.595 -2.795 1.00 0.16 C ATOM 280 CG ARG A 28 -1.100 -10.479 -2.564 1.00 0.19 C ATOM 281 CD ARG A 28 -1.862 -11.679 -3.101 1.00 0.53 C ATOM 282 NE ARG A 28 -1.828 -11.761 -4.560 1.00 1.32 N ATOM 283 CZ ARG A 28 -2.215 -12.832 -5.251 1.00 1.90 C ATOM 284 NH1 ARG A 28 -2.619 -13.929 -4.623 1.00 1.88 N ATOM 285 NH2 ARG A 28 -2.195 -12.803 -6.572 1.00 2.63 N ATOM 0 H ARG A 28 -0.042 -8.191 -2.824 1.00 0.12 H new ATOM 0 HA ARG A 28 1.116 -9.924 -0.904 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.617 -10.419 -3.849 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.722 -11.612 -2.569 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.294 -10.377 -1.496 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.470 -9.573 -3.043 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -1.439 -12.591 -2.680 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -2.899 -11.625 -2.768 1.00 0.53 H new ATOM 0 HE ARG A 28 -1.488 -10.951 -5.079 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -2.635 -13.956 -3.603 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -2.914 -14.745 -5.160 1.00 1.88 H new ATOM 0 HH21 ARG A 28 -1.884 -11.962 -7.059 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -2.491 -13.621 -7.105 1.00 2.63 H new ATOM 299 N GLU A 29 3.077 -8.758 -3.250 1.00 0.13 N ATOM 300 CA GLU A 29 4.493 -8.550 -3.552 1.00 0.14 C ATOM 301 C GLU A 29 5.160 -7.699 -2.467 1.00 0.12 C ATOM 302 O GLU A 29 6.304 -7.945 -2.098 1.00 0.13 O ATOM 303 CB GLU A 29 4.685 -7.896 -4.923 1.00 0.17 C ATOM 304 CG GLU A 29 6.150 -7.756 -5.314 1.00 0.22 C ATOM 305 CD GLU A 29 6.342 -7.432 -6.779 1.00 0.62 C ATOM 306 OE1 GLU A 29 5.930 -8.245 -7.631 1.00 0.84 O ATOM 307 OE2 GLU A 29 6.914 -6.369 -7.088 1.00 0.97 O ATOM 0 H GLU A 29 2.435 -8.197 -3.809 1.00 0.13 H new ATOM 0 HA GLU A 29 4.968 -9.531 -3.575 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.168 -8.488 -5.678 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.220 -6.910 -4.918 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.608 -6.972 -4.711 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.673 -8.684 -5.081 1.00 0.22 H new ATOM 314 N HIS A 30 4.449 -6.679 -1.985 1.00 0.12 N ATOM 315 CA HIS A 30 4.904 -5.887 -0.835 1.00 0.11 C ATOM 316 C HIS A 30 5.290 -6.807 0.318 1.00 0.12 C ATOM 317 O HIS A 30 6.260 -6.544 1.027 1.00 0.13 O ATOM 318 CB HIS A 30 3.812 -4.891 -0.389 1.00 0.11 C ATOM 319 CG HIS A 30 4.160 -4.054 0.821 1.00 0.11 C ATOM 320 ND1 HIS A 30 5.346 -3.575 1.264 1.00 0.11 N flip ATOM 321 CD2 HIS A 30 3.216 -3.587 1.712 1.00 0.14 C flip ATOM 322 CE1 HIS A 30 5.103 -2.837 2.395 1.00 0.11 C flip ATOM 323 NE2 HIS A 30 3.812 -2.858 2.647 1.00 0.13 N flip ATOM 0 H HIS A 30 3.554 -6.379 -2.372 1.00 0.12 H new ATOM 0 HA HIS A 30 5.782 -5.315 -1.136 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.590 -4.223 -1.221 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.900 -5.448 -0.175 1.00 0.11 H new ATOM 0 HD1 HIS A 30 6.257 -3.734 0.834 1.00 0.11 H new ATOM 0 HD2 HIS A 30 2.156 -3.784 1.657 1.00 0.14 H new ATOM 0 HE1 HIS A 30 5.850 -2.323 2.982 1.00 0.11 H new ATOM 332 N ASN A 31 4.526 -7.880 0.488 1.00 0.14 N ATOM 333 CA ASN A 31 4.837 -8.902 1.481 1.00 0.17 C ATOM 334 C ASN A 31 6.238 -9.448 1.244 1.00 0.16 C ATOM 335 O ASN A 31 7.075 -9.476 2.150 1.00 0.18 O ATOM 336 CB ASN A 31 3.814 -10.039 1.414 1.00 0.23 C ATOM 337 CG ASN A 31 4.105 -11.154 2.405 1.00 0.88 C ATOM 338 OD1 ASN A 31 4.848 -12.088 2.104 1.00 1.78 O ATOM 339 ND2 ASN A 31 3.506 -11.079 3.581 1.00 1.54 N ATOM 0 H ASN A 31 3.681 -8.065 -0.053 1.00 0.14 H new ATOM 0 HA ASN A 31 4.793 -8.451 2.472 1.00 0.17 H new ATOM 0 HB2 ASN A 31 2.819 -9.638 1.608 1.00 0.23 H new ATOM 0 HB3 ASN A 31 3.801 -10.451 0.405 1.00 0.23 H new ATOM 0 HD21 ASN A 31 3.653 -11.811 4.276 1.00 1.54 H new ATOM 0 HD22 ASN A 31 2.897 -10.289 3.794 1.00 1.54 H new ATOM 346 N ALA A 32 6.484 -9.855 0.011 1.00 0.17 N ATOM 347 CA ALA A 32 7.775 -10.398 -0.383 1.00 0.18 C ATOM 348 C ALA A 32 8.893 -9.361 -0.285 1.00 0.16 C ATOM 349 O ALA A 32 9.842 -9.530 0.482 1.00 0.19 O ATOM 350 CB ALA A 32 7.693 -10.925 -1.800 1.00 0.19 C ATOM 0 H ALA A 32 5.799 -9.819 -0.744 1.00 0.17 H new ATOM 0 HA ALA A 32 8.016 -11.206 0.307 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.661 -11.331 -2.094 1.00 0.19 H new ATOM 0 HB2 ALA A 32 6.939 -11.710 -1.853 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.420 -10.114 -2.475 1.00 0.19 H new ATOM 356 N SER A 33 8.765 -8.285 -1.056 1.00 0.13 N ATOM 357 CA SER A 33 9.836 -7.302 -1.212 1.00 0.14 C ATOM 358 C SER A 33 10.261 -6.666 0.113 1.00 0.18 C ATOM 359 O SER A 33 11.452 -6.468 0.352 1.00 0.27 O ATOM 360 CB SER A 33 9.417 -6.213 -2.211 1.00 0.13 C ATOM 361 OG SER A 33 10.473 -5.296 -2.443 1.00 0.17 O ATOM 0 H SER A 33 7.922 -8.069 -1.588 1.00 0.13 H new ATOM 0 HA SER A 33 10.702 -7.841 -1.596 1.00 0.14 H new ATOM 0 HB2 SER A 33 9.119 -6.675 -3.152 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.547 -5.680 -1.828 1.00 0.13 H new ATOM 0 HG SER A 33 10.500 -5.062 -3.394 1.00 0.17 H new ATOM 367 N ARG A 34 9.308 -6.346 0.978 1.00 0.19 N ATOM 368 CA ARG A 34 9.640 -5.642 2.210 1.00 0.23 C ATOM 369 C ARG A 34 9.923 -6.588 3.364 1.00 0.26 C ATOM 370 O ARG A 34 10.231 -6.155 4.473 1.00 0.31 O ATOM 371 CB ARG A 34 8.558 -4.636 2.579 1.00 0.22 C ATOM 372 CG ARG A 34 8.626 -3.364 1.749 1.00 0.23 C ATOM 373 CD ARG A 34 9.973 -2.672 1.887 1.00 0.27 C ATOM 374 NE ARG A 34 10.339 -2.453 3.290 1.00 0.34 N ATOM 375 CZ ARG A 34 11.594 -2.388 3.738 1.00 0.71 C ATOM 376 NH1 ARG A 34 12.616 -2.561 2.903 1.00 1.04 N ATOM 377 NH2 ARG A 34 11.826 -2.156 5.024 1.00 0.86 N ATOM 0 H ARG A 34 8.318 -6.557 0.854 1.00 0.19 H new ATOM 0 HA ARG A 34 10.563 -5.095 2.018 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.579 -5.098 2.448 1.00 0.22 H new ATOM 0 HB3 ARG A 34 8.651 -4.381 3.635 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.446 -3.604 0.701 1.00 0.23 H new ATOM 0 HG3 ARG A 34 7.834 -2.683 2.061 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.741 -3.275 1.402 1.00 0.27 H new ATOM 0 HD3 ARG A 34 9.943 -1.715 1.367 1.00 0.27 H new ATOM 0 HE ARG A 34 9.585 -2.343 3.968 1.00 0.34 H new ATOM 0 HH11 ARG A 34 12.442 -2.744 1.915 1.00 1.04 H new ATOM 0 HH12 ARG A 34 13.573 -2.510 3.251 1.00 1.04 H new ATOM 0 HH21 ARG A 34 11.045 -2.028 5.668 1.00 0.86 H new ATOM 0 HH22 ARG A 34 12.785 -2.106 5.368 1.00 0.86 H new ATOM 391 N LYS A 35 9.811 -7.885 3.074 1.00 0.26 N ATOM 392 CA LYS A 35 10.164 -8.942 4.015 1.00 0.30 C ATOM 393 C LYS A 35 9.378 -8.800 5.310 1.00 0.34 C ATOM 394 O LYS A 35 9.945 -8.717 6.401 1.00 0.58 O ATOM 395 CB LYS A 35 11.671 -8.926 4.292 1.00 0.33 C ATOM 396 CG LYS A 35 12.316 -10.304 4.253 1.00 0.54 C ATOM 397 CD LYS A 35 12.116 -10.987 2.903 1.00 1.10 C ATOM 398 CE LYS A 35 12.708 -10.174 1.761 1.00 0.95 C ATOM 399 NZ LYS A 35 12.454 -10.806 0.441 1.00 1.27 N ATOM 0 H LYS A 35 9.472 -8.230 2.176 1.00 0.26 H new ATOM 0 HA LYS A 35 9.904 -9.901 3.567 1.00 0.30 H new ATOM 0 HB2 LYS A 35 12.159 -8.285 3.558 1.00 0.33 H new ATOM 0 HB3 LYS A 35 11.847 -8.480 5.271 1.00 0.33 H new ATOM 0 HG2 LYS A 35 13.382 -10.212 4.459 1.00 0.54 H new ATOM 0 HG3 LYS A 35 11.892 -10.926 5.041 1.00 0.54 H new ATOM 0 HD2 LYS A 35 12.579 -11.974 2.924 1.00 1.10 H new ATOM 0 HD3 LYS A 35 11.051 -11.138 2.727 1.00 1.10 H new ATOM 0 HE2 LYS A 35 12.282 -9.171 1.771 1.00 0.95 H new ATOM 0 HE3 LYS A 35 13.782 -10.066 1.911 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 13.163 -10.475 -0.244 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 12.517 -11.840 0.533 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 11.504 -10.546 0.109 1.00 1.27 H new ATOM 413 N LEU A 36 8.064 -8.797 5.180 1.00 0.26 N ATOM 414 CA LEU A 36 7.170 -8.595 6.302 1.00 0.31 C ATOM 415 C LEU A 36 5.997 -9.549 6.162 1.00 0.34 C ATOM 416 O LEU A 36 5.973 -10.379 5.255 1.00 0.36 O ATOM 417 CB LEU A 36 6.686 -7.131 6.366 1.00 0.32 C ATOM 418 CG LEU A 36 6.630 -6.399 5.029 1.00 0.26 C ATOM 419 CD1 LEU A 36 5.674 -7.095 4.091 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.210 -4.958 5.230 1.00 0.30 C ATOM 0 H LEU A 36 7.586 -8.935 4.289 1.00 0.26 H new ATOM 0 HA LEU A 36 7.699 -8.799 7.233 1.00 0.31 H new ATOM 0 HB2 LEU A 36 5.691 -7.115 6.811 1.00 0.32 H new ATOM 0 HB3 LEU A 36 7.344 -6.578 7.036 1.00 0.32 H new ATOM 0 HG LEU A 36 7.626 -6.411 4.587 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.644 -6.562 3.141 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.010 -8.118 3.923 1.00 0.26 H new ATOM 0 HD13 LEU A 36 4.677 -7.108 4.531 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.175 -4.451 4.266 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.223 -4.928 5.691 1.00 0.30 H new ATOM 0 HD23 LEU A 36 6.929 -4.456 5.878 1.00 0.30 H new ATOM 432 N ASP A 37 5.030 -9.416 7.037 1.00 0.41 N ATOM 433 CA ASP A 37 3.887 -10.314 7.062 1.00 0.47 C ATOM 434 C ASP A 37 2.640 -9.481 7.270 1.00 0.51 C ATOM 435 O ASP A 37 1.710 -9.857 7.979 1.00 1.00 O ATOM 436 CB ASP A 37 4.060 -11.350 8.180 1.00 0.54 C ATOM 437 CG ASP A 37 3.019 -12.454 8.145 1.00 0.68 C ATOM 438 OD1 ASP A 37 3.007 -13.235 7.170 1.00 0.73 O ATOM 439 OD2 ASP A 37 2.221 -12.564 9.102 1.00 0.85 O ATOM 0 H ASP A 37 5.007 -8.688 7.751 1.00 0.41 H new ATOM 0 HA ASP A 37 3.804 -10.859 6.122 1.00 0.47 H new ATOM 0 HB2 ASP A 37 5.052 -11.794 8.103 1.00 0.54 H new ATOM 0 HB3 ASP A 37 4.011 -10.845 9.144 1.00 0.54 H new ATOM 444 N LEU A 38 2.653 -8.323 6.639 1.00 0.26 N ATOM 445 CA LEU A 38 1.598 -7.345 6.788 1.00 0.26 C ATOM 446 C LEU A 38 0.307 -7.833 6.142 1.00 0.26 C ATOM 447 O LEU A 38 0.331 -8.584 5.163 1.00 0.32 O ATOM 448 CB LEU A 38 2.038 -6.023 6.158 1.00 0.32 C ATOM 449 CG LEU A 38 1.573 -5.788 4.737 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.622 -4.309 4.440 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.429 -6.570 3.753 1.00 0.34 C ATOM 0 H LEU A 38 3.400 -8.035 6.006 1.00 0.26 H new ATOM 0 HA LEU A 38 1.406 -7.196 7.850 1.00 0.26 H new ATOM 0 HB2 LEU A 38 1.673 -5.206 6.780 1.00 0.32 H new ATOM 0 HB3 LEU A 38 3.127 -5.977 6.177 1.00 0.32 H new ATOM 0 HG LEU A 38 0.547 -6.141 4.629 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.288 -4.132 3.418 1.00 0.26 H new ATOM 0 HD12 LEU A 38 0.969 -3.777 5.132 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.644 -3.948 4.556 1.00 0.26 H new ATOM 0 HD21 LEU A 38 2.077 -6.386 2.738 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.467 -6.251 3.840 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.357 -7.635 3.975 1.00 0.34 H new ATOM 463 N SER A 39 -0.815 -7.413 6.698 1.00 0.22 N ATOM 464 CA SER A 39 -2.104 -7.725 6.118 1.00 0.21 C ATOM 465 C SER A 39 -2.465 -6.676 5.076 1.00 0.17 C ATOM 466 O SER A 39 -1.736 -5.695 4.907 1.00 0.25 O ATOM 467 CB SER A 39 -3.170 -7.784 7.203 1.00 0.29 C ATOM 468 OG SER A 39 -2.751 -8.593 8.290 1.00 0.64 O ATOM 0 H SER A 39 -0.857 -6.855 7.551 1.00 0.22 H new ATOM 0 HA SER A 39 -2.051 -8.701 5.635 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.387 -6.777 7.558 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.095 -8.181 6.786 1.00 0.29 H new ATOM 0 HG SER A 39 -3.453 -8.612 8.973 1.00 0.64 H new ATOM 474 N VAL A 40 -3.574 -6.861 4.380 1.00 0.18 N ATOM 475 CA VAL A 40 -3.928 -5.947 3.322 1.00 0.15 C ATOM 476 C VAL A 40 -4.268 -4.592 3.897 1.00 0.15 C ATOM 477 O VAL A 40 -3.774 -3.580 3.419 1.00 0.13 O ATOM 478 CB VAL A 40 -5.080 -6.485 2.439 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.457 -5.953 2.838 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.775 -6.164 1.006 1.00 0.17 C ATOM 0 H VAL A 40 -4.232 -7.626 4.529 1.00 0.18 H new ATOM 0 HA VAL A 40 -3.060 -5.846 2.670 1.00 0.15 H new ATOM 0 HB VAL A 40 -5.136 -7.564 2.586 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -7.215 -6.372 2.176 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.674 -6.241 3.867 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.465 -4.866 2.756 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.578 -6.537 0.371 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.689 -5.084 0.885 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.836 -6.637 0.719 1.00 0.17 H new ATOM 490 N GLU A 41 -5.078 -4.588 4.944 1.00 0.17 N ATOM 491 CA GLU A 41 -5.458 -3.361 5.608 1.00 0.17 C ATOM 492 C GLU A 41 -4.217 -2.536 5.933 1.00 0.14 C ATOM 493 O GLU A 41 -4.189 -1.333 5.693 1.00 0.14 O ATOM 494 CB GLU A 41 -6.257 -3.671 6.872 1.00 0.24 C ATOM 495 CG GLU A 41 -7.457 -4.569 6.609 1.00 0.30 C ATOM 496 CD GLU A 41 -8.133 -5.044 7.877 1.00 0.46 C ATOM 497 OE1 GLU A 41 -8.901 -4.267 8.477 1.00 0.82 O ATOM 498 OE2 GLU A 41 -7.916 -6.210 8.268 1.00 0.65 O ATOM 0 H GLU A 41 -5.485 -5.430 5.351 1.00 0.17 H new ATOM 0 HA GLU A 41 -6.092 -2.776 4.942 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.603 -4.151 7.600 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.599 -2.737 7.318 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -8.181 -4.028 5.999 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -7.135 -5.435 6.030 1.00 0.30 H new ATOM 505 N ASP A 42 -3.178 -3.203 6.438 1.00 0.15 N ATOM 506 CA ASP A 42 -1.912 -2.546 6.730 1.00 0.16 C ATOM 507 C ASP A 42 -1.309 -1.909 5.482 1.00 0.13 C ATOM 508 O ASP A 42 -0.796 -0.790 5.541 1.00 0.16 O ATOM 509 CB ASP A 42 -0.911 -3.533 7.329 1.00 0.23 C ATOM 510 CG ASP A 42 -1.339 -4.070 8.678 1.00 0.43 C ATOM 511 OD1 ASP A 42 -1.162 -3.363 9.692 1.00 0.66 O ATOM 512 OD2 ASP A 42 -1.843 -5.209 8.732 1.00 0.57 O ATOM 0 H ASP A 42 -3.193 -4.200 6.652 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.121 -1.760 7.455 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.775 -4.366 6.640 1.00 0.23 H new ATOM 0 HB3 ASP A 42 0.057 -3.042 7.431 1.00 0.23 H new ATOM 517 N PHE A 43 -1.362 -2.617 4.355 1.00 0.11 N ATOM 518 CA PHE A 43 -0.903 -2.052 3.089 1.00 0.10 C ATOM 519 C PHE A 43 -1.717 -0.823 2.774 1.00 0.08 C ATOM 520 O PHE A 43 -1.182 0.248 2.478 1.00 0.09 O ATOM 521 CB PHE A 43 -1.047 -3.050 1.930 1.00 0.12 C ATOM 522 CG PHE A 43 -0.727 -2.464 0.558 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.616 -1.600 -0.092 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.465 -2.770 -0.079 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.322 -1.069 -1.330 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.760 -2.240 -1.325 1.00 0.13 C ATOM 527 CZ PHE A 43 -0.134 -1.388 -1.946 1.00 0.17 C ATOM 0 H PHE A 43 -1.714 -3.572 4.293 1.00 0.11 H new ATOM 0 HA PHE A 43 0.153 -1.806 3.197 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.389 -3.899 2.113 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -2.067 -3.434 1.920 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.550 -1.344 0.385 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.173 -3.429 0.401 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -2.022 -0.405 -1.815 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.690 -2.493 -1.812 1.00 0.13 H new ATOM 0 HZ PHE A 43 0.100 -0.973 -2.915 1.00 0.17 H new ATOM 537 N LEU A 44 -3.025 -1.013 2.823 1.00 0.09 N ATOM 538 CA LEU A 44 -3.974 0.009 2.444 1.00 0.11 C ATOM 539 C LEU A 44 -3.788 1.240 3.311 1.00 0.11 C ATOM 540 O LEU A 44 -4.100 2.336 2.881 1.00 0.14 O ATOM 541 CB LEU A 44 -5.418 -0.531 2.525 1.00 0.13 C ATOM 542 CG LEU A 44 -5.618 -1.953 1.987 1.00 0.14 C ATOM 543 CD1 LEU A 44 -7.043 -2.168 1.553 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.687 -2.266 0.837 1.00 0.15 C ATOM 0 H LEU A 44 -3.456 -1.886 3.129 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.792 0.296 1.408 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.740 -0.506 3.566 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -6.072 0.144 1.973 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.382 -2.631 2.807 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.159 -3.184 1.175 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.709 -2.019 2.403 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.295 -1.457 0.766 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -4.866 -3.284 0.490 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -4.869 -1.567 0.021 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.653 -2.173 1.170 1.00 0.15 H new ATOM 556 N MET A 45 -3.257 1.049 4.521 1.00 0.12 N ATOM 557 CA MET A 45 -2.885 2.179 5.388 1.00 0.14 C ATOM 558 C MET A 45 -1.732 2.962 4.781 1.00 0.11 C ATOM 559 O MET A 45 -1.845 4.155 4.505 1.00 0.12 O ATOM 560 CB MET A 45 -2.406 1.713 6.765 1.00 0.20 C ATOM 561 CG MET A 45 -3.378 0.860 7.538 1.00 0.32 C ATOM 562 SD MET A 45 -2.813 0.542 9.227 1.00 0.55 S ATOM 563 CE MET A 45 -1.071 0.196 8.974 1.00 1.27 C ATOM 0 H MET A 45 -3.074 0.130 4.924 1.00 0.12 H new ATOM 0 HA MET A 45 -3.783 2.790 5.485 1.00 0.14 H new ATOM 0 HB2 MET A 45 -1.480 1.152 6.637 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.166 2.592 7.363 1.00 0.20 H new ATOM 0 HG2 MET A 45 -4.349 1.355 7.568 1.00 0.32 H new ATOM 0 HG3 MET A 45 -3.519 -0.088 7.019 1.00 0.32 H new ATOM 0 HE1 MET A 45 -0.731 -0.524 9.718 1.00 1.27 H new ATOM 0 HE2 MET A 45 -0.923 -0.216 7.976 1.00 1.27 H new ATOM 0 HE3 MET A 45 -0.499 1.118 9.074 1.00 1.27 H new ATOM 573 N LEU A 46 -0.619 2.261 4.593 1.00 0.10 N ATOM 574 CA LEU A 46 0.612 2.851 4.074 1.00 0.11 C ATOM 575 C LEU A 46 0.346 3.594 2.779 1.00 0.12 C ATOM 576 O LEU A 46 0.685 4.770 2.632 1.00 0.14 O ATOM 577 CB LEU A 46 1.659 1.761 3.830 1.00 0.12 C ATOM 578 CG LEU A 46 1.897 0.801 4.996 1.00 0.12 C ATOM 579 CD1 LEU A 46 3.112 -0.073 4.734 1.00 0.14 C ATOM 580 CD2 LEU A 46 2.066 1.572 6.288 1.00 0.12 C ATOM 0 H LEU A 46 -0.544 1.264 4.797 1.00 0.10 H new ATOM 0 HA LEU A 46 0.989 3.556 4.815 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.356 1.179 2.960 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.605 2.241 3.579 1.00 0.12 H new ATOM 0 HG LEU A 46 1.026 0.153 5.090 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.263 -0.748 5.576 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.953 -0.655 3.826 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.993 0.556 4.611 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.235 0.875 7.109 1.00 0.12 H new ATOM 0 HD22 LEU A 46 2.920 2.244 6.202 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.165 2.153 6.485 1.00 0.12 H new ATOM 592 N ARG A 47 -0.274 2.894 1.850 1.00 0.12 N ATOM 593 CA ARG A 47 -0.632 3.464 0.570 1.00 0.15 C ATOM 594 C ARG A 47 -1.597 4.637 0.742 1.00 0.15 C ATOM 595 O ARG A 47 -1.389 5.693 0.153 1.00 0.20 O ATOM 596 CB ARG A 47 -1.240 2.376 -0.302 1.00 0.25 C ATOM 597 CG ARG A 47 -2.315 2.881 -1.230 1.00 0.91 C ATOM 598 CD ARG A 47 -3.570 2.049 -1.102 1.00 0.40 C ATOM 599 NE ARG A 47 -4.752 2.812 -1.484 1.00 1.16 N ATOM 600 CZ ARG A 47 -5.120 3.021 -2.740 1.00 1.30 C ATOM 601 NH1 ARG A 47 -4.389 2.553 -3.734 1.00 1.51 N ATOM 602 NH2 ARG A 47 -6.207 3.722 -3.008 1.00 2.08 N ATOM 0 H ARG A 47 -0.543 1.916 1.962 1.00 0.12 H new ATOM 0 HA ARG A 47 0.263 3.855 0.085 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.451 1.911 -0.892 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -1.659 1.600 0.338 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -2.539 3.923 -1.001 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -1.957 2.851 -2.259 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.487 1.163 -1.731 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -3.675 1.701 -0.074 1.00 0.40 H new ATOM 0 HE ARG A 47 -5.329 3.208 -0.742 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -3.537 2.028 -3.537 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -4.676 2.716 -4.699 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -6.767 4.105 -2.247 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -6.486 3.880 -3.976 1.00 2.08 H new ATOM 616 N HIS A 48 -2.676 4.415 1.504 1.00 0.14 N ATOM 617 CA HIS A 48 -3.603 5.487 1.887 1.00 0.15 C ATOM 618 C HIS A 48 -2.854 6.760 2.207 1.00 0.17 C ATOM 619 O HIS A 48 -2.993 7.748 1.511 1.00 0.20 O ATOM 620 CB HIS A 48 -4.435 5.091 3.111 1.00 0.18 C ATOM 621 CG HIS A 48 -5.855 4.724 2.813 1.00 0.21 C ATOM 622 ND1 HIS A 48 -6.791 4.499 3.796 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.486 4.491 1.642 1.00 0.21 C ATOM 624 CE1 HIS A 48 -7.930 4.137 3.245 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.775 4.119 1.934 1.00 0.31 N ATOM 0 H HIS A 48 -2.929 3.497 1.869 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.265 5.653 1.037 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -3.952 4.247 3.603 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.430 5.919 3.820 1.00 0.18 H new ATOM 0 HD1 HIS A 48 -6.627 4.598 4.798 1.00 0.41 H new ATOM 0 HD2 HIS A 48 -6.055 4.581 0.656 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -8.839 3.895 3.776 1.00 0.47 H new ATOM 634 N ARG A 49 -1.997 6.706 3.206 1.00 0.17 N ATOM 635 CA ARG A 49 -1.377 7.914 3.720 1.00 0.18 C ATOM 636 C ARG A 49 -0.510 8.570 2.649 1.00 0.22 C ATOM 637 O ARG A 49 -0.388 9.788 2.598 1.00 0.28 O ATOM 638 CB ARG A 49 -0.571 7.603 4.954 1.00 0.16 C ATOM 639 CG ARG A 49 -1.367 6.798 5.957 1.00 0.17 C ATOM 640 CD ARG A 49 -0.620 6.670 7.248 1.00 0.17 C ATOM 641 NE ARG A 49 -0.906 5.404 7.927 1.00 0.29 N ATOM 642 CZ ARG A 49 -1.791 5.267 8.915 1.00 0.52 C ATOM 643 NH1 ARG A 49 -2.501 6.309 9.329 1.00 0.69 N ATOM 644 NH2 ARG A 49 -1.972 4.084 9.487 1.00 0.68 N ATOM 0 H ARG A 49 -1.714 5.846 3.677 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.161 8.620 3.994 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.325 7.050 4.673 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.239 8.533 5.416 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.329 7.279 6.134 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.575 5.808 5.552 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.450 6.744 7.056 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -0.884 7.500 7.903 1.00 0.17 H new ATOM 0 HE ARG A 49 -0.396 4.574 7.625 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -2.371 7.221 8.891 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -3.176 6.198 10.085 1.00 0.69 H new ATOM 0 HH21 ARG A 49 -1.434 3.277 9.171 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -2.649 3.981 10.243 1.00 0.68 H new ATOM 658 N ALA A 50 0.075 7.750 1.788 1.00 0.24 N ATOM 659 CA ALA A 50 0.837 8.256 0.654 1.00 0.31 C ATOM 660 C ALA A 50 -0.082 8.951 -0.356 1.00 0.35 C ATOM 661 O ALA A 50 0.109 10.127 -0.663 1.00 0.42 O ATOM 662 CB ALA A 50 1.626 7.135 -0.007 1.00 0.34 C ATOM 0 H ALA A 50 0.037 6.733 1.852 1.00 0.24 H new ATOM 0 HA ALA A 50 1.547 8.996 1.024 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.188 7.534 -0.851 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.317 6.701 0.716 1.00 0.34 H new ATOM 0 HB3 ALA A 50 0.939 6.366 -0.360 1.00 0.34 H new ATOM 668 N ALA A 51 -1.070 8.213 -0.874 1.00 0.34 N ATOM 669 CA ALA A 51 -2.051 8.757 -1.808 1.00 0.43 C ATOM 670 C ALA A 51 -2.762 9.990 -1.253 1.00 0.41 C ATOM 671 O ALA A 51 -2.886 11.006 -1.937 1.00 0.47 O ATOM 672 CB ALA A 51 -3.081 7.687 -2.158 1.00 0.52 C ATOM 0 H ALA A 51 -1.208 7.226 -0.656 1.00 0.34 H new ATOM 0 HA ALA A 51 -1.510 9.065 -2.702 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -3.811 8.099 -2.855 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -2.579 6.836 -2.618 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -3.590 7.361 -1.251 1.00 0.52 H new ATOM 678 N LEU A 52 -3.221 9.891 -0.013 1.00 0.36 N ATOM 679 CA LEU A 52 -4.026 10.944 0.589 1.00 0.39 C ATOM 680 C LEU A 52 -3.146 12.126 0.982 1.00 0.40 C ATOM 681 O LEU A 52 -3.226 13.195 0.377 1.00 0.46 O ATOM 682 CB LEU A 52 -4.790 10.407 1.805 1.00 0.39 C ATOM 683 CG LEU A 52 -5.384 9.010 1.621 1.00 0.36 C ATOM 684 CD1 LEU A 52 -6.023 8.513 2.902 1.00 0.39 C ATOM 685 CD2 LEU A 52 -6.377 8.997 0.480 1.00 0.43 C ATOM 0 H LEU A 52 -3.049 9.091 0.596 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.754 11.288 -0.146 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -4.116 10.391 2.662 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.596 11.101 2.046 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.570 8.329 1.372 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.436 7.518 2.740 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.272 8.470 3.690 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -6.821 9.194 3.198 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.788 7.994 0.366 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -7.185 9.698 0.692 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.875 9.290 -0.442 1.00 0.43 H new ATOM 697 N GLY A 53 -2.303 11.936 1.993 1.00 0.36 N ATOM 698 CA GLY A 53 -1.320 12.950 2.321 1.00 0.37 C ATOM 699 C GLY A 53 -0.894 12.936 3.779 1.00 0.36 C ATOM 700 O GLY A 53 -0.755 13.989 4.395 1.00 0.55 O ATOM 0 H GLY A 53 -2.283 11.106 2.585 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -0.441 12.808 1.693 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -1.729 13.931 2.080 1.00 0.37 H new ATOM 704 N ALA A 54 -0.683 11.750 4.339 1.00 0.30 N ATOM 705 CA ALA A 54 -0.209 11.626 5.710 1.00 0.27 C ATOM 706 C ALA A 54 1.197 11.043 5.739 1.00 0.23 C ATOM 707 O ALA A 54 1.526 10.141 4.967 1.00 0.24 O ATOM 708 CB ALA A 54 -1.164 10.775 6.527 1.00 0.29 C ATOM 0 H ALA A 54 -0.833 10.861 3.863 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.173 12.620 6.155 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -0.794 10.693 7.549 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.150 11.239 6.534 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.234 9.781 6.085 1.00 0.29 H new ATOM 714 N ASP A 55 2.022 11.560 6.636 1.00 0.24 N ATOM 715 CA ASP A 55 3.426 11.175 6.702 1.00 0.24 C ATOM 716 C ASP A 55 3.717 10.321 7.925 1.00 0.21 C ATOM 717 O ASP A 55 4.718 10.523 8.618 1.00 0.25 O ATOM 718 CB ASP A 55 4.342 12.403 6.706 1.00 0.33 C ATOM 719 CG ASP A 55 4.449 13.076 5.354 1.00 1.21 C ATOM 720 OD1 ASP A 55 3.516 13.816 4.982 1.00 1.37 O ATOM 721 OD2 ASP A 55 5.451 12.852 4.642 1.00 1.93 O ATOM 0 H ASP A 55 1.743 12.251 7.332 1.00 0.24 H new ATOM 0 HA ASP A 55 3.630 10.584 5.809 1.00 0.24 H new ATOM 0 HB2 ASP A 55 3.969 13.123 7.434 1.00 0.33 H new ATOM 0 HB3 ASP A 55 5.337 12.104 7.035 1.00 0.33 H new ATOM 726 N ASP A 56 2.842 9.372 8.188 1.00 0.19 N ATOM 727 CA ASP A 56 3.125 8.345 9.183 1.00 0.22 C ATOM 728 C ASP A 56 4.264 7.472 8.674 1.00 0.17 C ATOM 729 O ASP A 56 4.163 6.916 7.588 1.00 0.21 O ATOM 730 CB ASP A 56 1.888 7.491 9.459 1.00 0.30 C ATOM 731 CG ASP A 56 2.219 6.192 10.170 1.00 0.65 C ATOM 732 OD1 ASP A 56 2.253 6.189 11.417 1.00 0.86 O ATOM 733 OD2 ASP A 56 2.458 5.173 9.489 1.00 0.93 O ATOM 0 H ASP A 56 1.933 9.286 7.733 1.00 0.19 H new ATOM 0 HA ASP A 56 3.411 8.824 10.119 1.00 0.22 H new ATOM 0 HB2 ASP A 56 1.185 8.063 10.065 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.388 7.267 8.516 1.00 0.30 H new ATOM 738 N ASN A 57 5.363 7.428 9.422 1.00 0.23 N ATOM 739 CA ASN A 57 6.588 6.757 8.988 1.00 0.20 C ATOM 740 C ASN A 57 6.383 5.432 8.256 1.00 0.17 C ATOM 741 O ASN A 57 7.052 5.188 7.254 1.00 0.18 O ATOM 742 CB ASN A 57 7.532 6.540 10.156 1.00 0.25 C ATOM 743 CG ASN A 57 6.897 5.795 11.315 1.00 0.35 C ATOM 744 OD1 ASN A 57 6.295 6.401 12.201 1.00 0.70 O ATOM 745 ND2 ASN A 57 7.046 4.481 11.328 1.00 0.47 N ATOM 0 H ASN A 57 5.431 7.856 10.346 1.00 0.23 H new ATOM 0 HA ASN A 57 7.022 7.442 8.259 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.403 5.984 9.810 1.00 0.25 H new ATOM 0 HB3 ASN A 57 7.890 7.507 10.508 1.00 0.25 H new ATOM 0 HD21 ASN A 57 6.655 3.931 12.093 1.00 0.47 H new ATOM 0 HD22 ASN A 57 7.552 4.018 10.573 1.00 0.47 H new ATOM 752 N ASP A 58 5.474 4.580 8.719 1.00 0.18 N ATOM 753 CA ASP A 58 5.269 3.286 8.065 1.00 0.19 C ATOM 754 C ASP A 58 4.851 3.518 6.624 1.00 0.16 C ATOM 755 O ASP A 58 5.320 2.860 5.696 1.00 0.19 O ATOM 756 CB ASP A 58 4.204 2.455 8.789 1.00 0.22 C ATOM 757 CG ASP A 58 4.678 1.920 10.122 1.00 1.28 C ATOM 758 OD1 ASP A 58 5.566 1.043 10.136 1.00 2.31 O ATOM 759 OD2 ASP A 58 4.177 2.385 11.166 1.00 1.35 O ATOM 0 H ASP A 58 4.877 4.753 9.528 1.00 0.18 H new ATOM 0 HA ASP A 58 6.205 2.729 8.099 1.00 0.19 H new ATOM 0 HB2 ASP A 58 3.316 3.068 8.945 1.00 0.22 H new ATOM 0 HB3 ASP A 58 3.908 1.621 8.153 1.00 0.22 H new ATOM 764 N ALA A 59 3.990 4.499 6.468 1.00 0.13 N ATOM 765 CA ALA A 59 3.504 4.905 5.168 1.00 0.11 C ATOM 766 C ALA A 59 4.583 5.602 4.353 1.00 0.12 C ATOM 767 O ALA A 59 4.624 5.462 3.130 1.00 0.13 O ATOM 768 CB ALA A 59 2.312 5.814 5.320 1.00 0.10 C ATOM 0 H ALA A 59 3.606 5.040 7.243 1.00 0.13 H new ATOM 0 HA ALA A 59 3.210 4.003 4.632 1.00 0.11 H new ATOM 0 HB1 ALA A 59 1.955 6.113 4.335 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.518 5.287 5.849 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.600 6.700 5.886 1.00 0.10 H new ATOM 774 N VAL A 60 5.465 6.349 5.015 1.00 0.14 N ATOM 775 CA VAL A 60 6.462 7.114 4.283 1.00 0.17 C ATOM 776 C VAL A 60 7.548 6.190 3.757 1.00 0.18 C ATOM 777 O VAL A 60 8.047 6.377 2.647 1.00 0.20 O ATOM 778 CB VAL A 60 7.103 8.256 5.108 1.00 0.21 C ATOM 779 CG1 VAL A 60 6.048 9.026 5.872 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.196 7.754 6.031 1.00 0.25 C ATOM 0 H VAL A 60 5.508 6.438 6.030 1.00 0.14 H new ATOM 0 HA VAL A 60 5.932 7.588 3.457 1.00 0.17 H new ATOM 0 HB VAL A 60 7.578 8.937 4.402 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.522 9.823 6.444 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.334 9.458 5.171 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.527 8.352 6.552 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.615 8.592 6.588 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.778 7.027 6.728 1.00 0.25 H new ATOM 0 HG23 VAL A 60 8.982 7.281 5.441 1.00 0.25 H new ATOM 790 N LYS A 61 7.908 5.189 4.556 1.00 0.19 N ATOM 791 CA LYS A 61 8.857 4.187 4.133 1.00 0.22 C ATOM 792 C LYS A 61 8.251 3.324 3.038 1.00 0.20 C ATOM 793 O LYS A 61 8.948 2.891 2.118 1.00 0.28 O ATOM 794 CB LYS A 61 9.247 3.348 5.331 1.00 0.29 C ATOM 795 CG LYS A 61 9.853 4.177 6.451 1.00 0.37 C ATOM 796 CD LYS A 61 9.704 3.474 7.790 1.00 0.49 C ATOM 797 CE LYS A 61 10.069 2.010 7.666 1.00 1.13 C ATOM 798 NZ LYS A 61 9.932 1.274 8.950 1.00 1.71 N ATOM 0 H LYS A 61 7.550 5.058 5.502 1.00 0.19 H new ATOM 0 HA LYS A 61 9.748 4.665 3.726 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.367 2.825 5.706 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.962 2.586 5.020 1.00 0.29 H new ATOM 0 HG2 LYS A 61 10.908 4.356 6.246 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.366 5.151 6.492 1.00 0.37 H new ATOM 0 HD2 LYS A 61 10.344 3.952 8.531 1.00 0.49 H new ATOM 0 HD3 LYS A 61 8.678 3.570 8.145 1.00 0.49 H new ATOM 0 HE2 LYS A 61 9.432 1.543 6.915 1.00 1.13 H new ATOM 0 HE3 LYS A 61 11.096 1.925 7.311 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 10.194 0.278 8.809 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 10.559 1.699 9.662 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 8.947 1.330 9.279 1.00 1.71 H new ATOM 812 N PHE A 62 6.948 3.080 3.145 1.00 0.14 N ATOM 813 CA PHE A 62 6.213 2.402 2.094 1.00 0.13 C ATOM 814 C PHE A 62 6.337 3.194 0.815 1.00 0.13 C ATOM 815 O PHE A 62 6.775 2.677 -0.199 1.00 0.15 O ATOM 816 CB PHE A 62 4.739 2.260 2.463 1.00 0.14 C ATOM 817 CG PHE A 62 3.903 1.658 1.370 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.778 0.280 1.244 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.242 2.469 0.470 1.00 0.15 C ATOM 820 CE1 PHE A 62 3.008 -0.269 0.242 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.471 1.925 -0.533 1.00 0.16 C ATOM 822 CZ PHE A 62 2.363 0.537 -0.646 1.00 0.17 C ATOM 0 H PHE A 62 6.383 3.344 3.952 1.00 0.14 H new ATOM 0 HA PHE A 62 6.631 1.404 1.962 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.654 1.642 3.357 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.340 3.242 2.716 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.290 -0.368 1.939 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.330 3.542 0.553 1.00 0.15 H new ATOM 0 HE1 PHE A 62 2.916 -1.342 0.161 1.00 0.18 H new ATOM 0 HE2 PHE A 62 1.953 2.568 -1.229 1.00 0.16 H new ATOM 0 HZ PHE A 62 1.769 0.104 -1.437 1.00 0.17 H new ATOM 832 N ARG A 63 5.920 4.451 0.881 1.00 0.12 N ATOM 833 CA ARG A 63 6.076 5.389 -0.218 1.00 0.15 C ATOM 834 C ARG A 63 7.485 5.318 -0.793 1.00 0.14 C ATOM 835 O ARG A 63 7.658 5.036 -1.974 1.00 0.16 O ATOM 836 CB ARG A 63 5.749 6.796 0.307 1.00 0.21 C ATOM 837 CG ARG A 63 6.110 7.958 -0.609 1.00 0.42 C ATOM 838 CD ARG A 63 7.546 8.424 -0.381 1.00 0.39 C ATOM 839 NE ARG A 63 7.730 9.836 -0.712 1.00 0.76 N ATOM 840 CZ ARG A 63 7.686 10.826 0.182 1.00 1.06 C ATOM 841 NH1 ARG A 63 7.460 10.561 1.463 1.00 1.44 N ATOM 842 NH2 ARG A 63 7.880 12.081 -0.202 1.00 1.37 N ATOM 0 H ARG A 63 5.463 4.848 1.702 1.00 0.12 H new ATOM 0 HA ARG A 63 5.394 5.137 -1.030 1.00 0.15 H new ATOM 0 HB2 ARG A 63 4.680 6.844 0.515 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.265 6.936 1.257 1.00 0.21 H new ATOM 0 HG2 ARG A 63 5.985 7.656 -1.649 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.425 8.787 -0.434 1.00 0.42 H new ATOM 0 HD2 ARG A 63 7.818 8.259 0.662 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.222 7.820 -0.986 1.00 0.39 H new ATOM 0 HE ARG A 63 7.903 10.080 -1.687 1.00 0.76 H new ATOM 0 HH11 ARG A 63 7.319 9.598 1.767 1.00 1.44 H new ATOM 0 HH12 ARG A 63 7.427 11.321 2.143 1.00 1.44 H new ATOM 0 HH21 ARG A 63 8.063 12.292 -1.183 1.00 1.37 H new ATOM 0 HH22 ARG A 63 7.846 12.835 0.484 1.00 1.37 H new ATOM 856 N SER A 64 8.467 5.590 0.056 1.00 0.13 N ATOM 857 CA SER A 64 9.878 5.504 -0.311 1.00 0.16 C ATOM 858 C SER A 64 10.178 4.265 -1.171 1.00 0.17 C ATOM 859 O SER A 64 10.653 4.384 -2.301 1.00 0.28 O ATOM 860 CB SER A 64 10.745 5.495 0.955 1.00 0.21 C ATOM 861 OG SER A 64 12.128 5.460 0.640 1.00 1.30 O ATOM 0 H SER A 64 8.309 5.877 1.022 1.00 0.13 H new ATOM 0 HA SER A 64 10.118 6.380 -0.913 1.00 0.16 H new ATOM 0 HB2 SER A 64 10.529 6.382 1.551 1.00 0.21 H new ATOM 0 HB3 SER A 64 10.488 4.630 1.566 1.00 0.21 H new ATOM 0 HG SER A 64 12.652 5.457 1.468 1.00 1.30 H new ATOM 867 N TRP A 65 9.873 3.089 -0.645 1.00 0.13 N ATOM 868 CA TRP A 65 10.155 1.834 -1.341 1.00 0.14 C ATOM 869 C TRP A 65 9.275 1.658 -2.581 1.00 0.13 C ATOM 870 O TRP A 65 9.772 1.412 -3.678 1.00 0.15 O ATOM 871 CB TRP A 65 9.988 0.662 -0.363 1.00 0.17 C ATOM 872 CG TRP A 65 9.724 -0.671 -1.006 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.625 -1.559 -1.513 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.447 -1.265 -1.181 1.00 0.16 C ATOM 875 NE1 TRP A 65 9.970 -2.676 -1.983 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.629 -2.510 -1.797 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.168 -0.849 -0.869 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.564 -3.345 -2.112 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.107 -1.673 -1.176 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.313 -2.913 -1.794 1.00 0.21 C ATOM 0 H TRP A 65 9.428 2.973 0.265 1.00 0.13 H new ATOM 0 HA TRP A 65 11.185 1.858 -1.697 1.00 0.14 H new ATOM 0 HB2 TRP A 65 10.890 0.583 0.243 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.166 0.890 0.316 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.694 -1.409 -1.542 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.415 -3.493 -2.401 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.002 0.106 -0.392 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.723 -4.300 -2.591 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.102 -1.358 -0.937 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.463 -3.538 -2.023 1.00 0.21 H new ATOM 891 N TRP A 66 7.979 1.845 -2.409 1.00 0.12 N ATOM 892 CA TRP A 66 6.996 1.504 -3.428 1.00 0.13 C ATOM 893 C TRP A 66 7.032 2.484 -4.594 1.00 0.12 C ATOM 894 O TRP A 66 6.675 2.134 -5.717 1.00 0.19 O ATOM 895 CB TRP A 66 5.602 1.479 -2.796 1.00 0.16 C ATOM 896 CG TRP A 66 4.542 0.855 -3.648 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.346 1.409 -3.986 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.567 -0.440 -4.259 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.628 0.545 -4.761 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.353 -0.591 -4.946 1.00 0.27 C ATOM 901 CE3 TRP A 66 5.491 -1.484 -4.298 1.00 0.30 C ATOM 902 CZ2 TRP A 66 3.040 -1.734 -5.656 1.00 0.34 C ATOM 903 CZ3 TRP A 66 5.179 -2.626 -5.004 1.00 0.38 C ATOM 904 CH2 TRP A 66 3.963 -2.745 -5.678 1.00 0.39 C ATOM 0 H TRP A 66 7.575 2.238 -1.559 1.00 0.12 H new ATOM 0 HA TRP A 66 7.239 0.518 -3.825 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.656 0.938 -1.851 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.306 2.501 -2.561 1.00 0.16 H new ATOM 0 HD1 TRP A 66 3.013 2.391 -3.684 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.698 0.722 -5.140 1.00 0.26 H new ATOM 0 HE3 TRP A 66 6.436 -1.399 -3.783 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 2.098 -1.827 -6.177 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 5.887 -3.441 -5.036 1.00 0.38 H new ATOM 0 HH2 TRP A 66 3.746 -3.650 -6.226 1.00 0.39 H new ATOM 915 N ASN A 67 7.498 3.697 -4.337 1.00 0.17 N ATOM 916 CA ASN A 67 7.522 4.736 -5.360 1.00 0.17 C ATOM 917 C ASN A 67 8.863 4.779 -6.051 1.00 0.18 C ATOM 918 O ASN A 67 9.128 5.646 -6.877 1.00 0.22 O ATOM 919 CB ASN A 67 7.224 6.097 -4.763 1.00 0.20 C ATOM 920 CG ASN A 67 5.743 6.327 -4.590 1.00 0.23 C ATOM 921 OD1 ASN A 67 5.073 6.863 -5.471 1.00 0.31 O ATOM 922 ND2 ASN A 67 5.214 5.905 -3.461 1.00 0.38 N ATOM 0 H ASN A 67 7.865 3.988 -3.431 1.00 0.17 H new ATOM 0 HA ASN A 67 6.749 4.491 -6.089 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.720 6.185 -3.796 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.639 6.873 -5.406 1.00 0.20 H new ATOM 0 HD21 ASN A 67 4.214 6.018 -3.293 1.00 0.38 H new ATOM 0 HD22 ASN A 67 5.804 5.465 -2.755 1.00 0.38 H new ATOM 929 N SER A 68 9.717 3.855 -5.694 1.00 0.18 N ATOM 930 CA SER A 68 10.975 3.708 -6.388 1.00 0.22 C ATOM 931 C SER A 68 10.815 2.694 -7.506 1.00 0.22 C ATOM 932 O SER A 68 11.572 2.681 -8.475 1.00 0.24 O ATOM 933 CB SER A 68 12.079 3.270 -5.427 1.00 0.25 C ATOM 934 OG SER A 68 12.241 4.209 -4.375 1.00 0.85 O ATOM 0 H SER A 68 9.568 3.195 -4.931 1.00 0.18 H new ATOM 0 HA SER A 68 11.262 4.672 -6.809 1.00 0.22 H new ATOM 0 HB2 SER A 68 11.837 2.292 -5.012 1.00 0.25 H new ATOM 0 HB3 SER A 68 13.018 3.162 -5.971 1.00 0.25 H new ATOM 0 HG SER A 68 11.631 3.986 -3.641 1.00 0.85 H new ATOM 940 N ARG A 69 9.798 1.863 -7.362 1.00 0.20 N ATOM 941 CA ARG A 69 9.568 0.753 -8.258 1.00 0.22 C ATOM 942 C ARG A 69 8.280 0.953 -9.046 1.00 0.24 C ATOM 943 O ARG A 69 8.283 1.109 -10.266 1.00 0.27 O ATOM 944 CB ARG A 69 9.493 -0.546 -7.458 1.00 0.22 C ATOM 945 CG ARG A 69 9.240 -0.354 -5.968 1.00 0.29 C ATOM 946 CD ARG A 69 8.757 -1.634 -5.315 1.00 0.22 C ATOM 947 NE ARG A 69 9.649 -2.755 -5.585 1.00 0.84 N ATOM 948 CZ ARG A 69 9.225 -3.964 -5.947 1.00 0.99 C ATOM 949 NH1 ARG A 69 7.932 -4.181 -6.143 1.00 0.97 N ATOM 950 NH2 ARG A 69 10.093 -4.946 -6.138 1.00 1.70 N ATOM 0 H ARG A 69 9.108 1.943 -6.616 1.00 0.20 H new ATOM 0 HA ARG A 69 10.397 0.698 -8.964 1.00 0.22 H new ATOM 0 HB2 ARG A 69 8.699 -1.168 -7.872 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.427 -1.093 -7.588 1.00 0.22 H new ATOM 0 HG2 ARG A 69 10.157 -0.021 -5.483 1.00 0.29 H new ATOM 0 HG3 ARG A 69 8.499 0.432 -5.822 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.678 -1.484 -4.238 1.00 0.22 H new ATOM 0 HD3 ARG A 69 7.757 -1.871 -5.678 1.00 0.22 H new ATOM 0 HE ARG A 69 10.654 -2.605 -5.491 1.00 0.84 H new ATOM 0 HH11 ARG A 69 7.263 -3.422 -6.016 1.00 0.97 H new ATOM 0 HH12 ARG A 69 7.607 -5.107 -6.420 1.00 0.97 H new ATOM 0 HH21 ARG A 69 11.091 -4.777 -6.008 1.00 1.70 H new ATOM 0 HH22 ARG A 69 9.764 -5.871 -6.415 1.00 1.70 H new ATOM 964 N THR A 70 7.184 0.951 -8.314 1.00 0.24 N ATOM 965 CA THR A 70 5.850 1.023 -8.886 1.00 0.26 C ATOM 966 C THR A 70 5.361 2.446 -8.990 1.00 0.25 C ATOM 967 O THR A 70 5.026 2.918 -10.073 1.00 0.29 O ATOM 968 CB THR A 70 4.871 0.277 -7.990 1.00 0.27 C ATOM 969 OG1 THR A 70 5.372 -1.036 -7.722 1.00 0.33 O ATOM 970 CG2 THR A 70 3.491 0.202 -8.618 1.00 0.31 C ATOM 0 H THR A 70 7.192 0.899 -7.295 1.00 0.24 H new ATOM 0 HA THR A 70 5.904 0.583 -9.882 1.00 0.26 H new ATOM 0 HB THR A 70 4.774 0.826 -7.053 1.00 0.27 H new ATOM 0 HG1 THR A 70 5.056 -1.334 -6.844 1.00 0.33 H new ATOM 0 HG21 THR A 70 2.817 -0.337 -7.952 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.110 1.210 -8.781 1.00 0.31 H new ATOM 0 HG23 THR A 70 3.553 -0.321 -9.572 1.00 0.31 H new ATOM 978 N LYS A 71 5.311 3.100 -7.833 1.00 0.24 N ATOM 979 CA LYS A 71 4.725 4.423 -7.693 1.00 0.27 C ATOM 980 C LYS A 71 3.211 4.332 -7.779 1.00 0.30 C ATOM 981 O LYS A 71 2.527 5.306 -8.090 1.00 0.52 O ATOM 982 CB LYS A 71 5.281 5.381 -8.721 1.00 0.32 C ATOM 983 CG LYS A 71 6.802 5.435 -8.710 1.00 0.35 C ATOM 984 CD LYS A 71 7.366 6.508 -9.622 1.00 0.46 C ATOM 985 CE LYS A 71 6.835 7.885 -9.259 1.00 0.93 C ATOM 986 NZ LYS A 71 7.479 8.958 -10.060 1.00 1.20 N ATOM 0 H LYS A 71 5.680 2.721 -6.961 1.00 0.24 H new ATOM 0 HA LYS A 71 4.990 4.818 -6.713 1.00 0.27 H new ATOM 0 HB2 LYS A 71 4.939 5.083 -9.712 1.00 0.32 H new ATOM 0 HB3 LYS A 71 4.885 6.379 -8.534 1.00 0.32 H new ATOM 0 HG2 LYS A 71 7.146 5.615 -7.691 1.00 0.35 H new ATOM 0 HG3 LYS A 71 7.196 4.465 -9.013 1.00 0.35 H new ATOM 0 HD2 LYS A 71 8.454 6.508 -9.556 1.00 0.46 H new ATOM 0 HD3 LYS A 71 7.109 6.279 -10.656 1.00 0.46 H new ATOM 0 HE2 LYS A 71 5.757 7.911 -9.418 1.00 0.93 H new ATOM 0 HE3 LYS A 71 7.006 8.072 -8.199 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 7.089 9.881 -9.781 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 8.505 8.950 -9.890 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 7.295 8.795 -11.070 1.00 1.20 H new ATOM 1000 N MET A 72 2.729 3.122 -7.478 1.00 0.31 N ATOM 1001 CA MET A 72 1.306 2.790 -7.295 1.00 0.32 C ATOM 1002 C MET A 72 0.357 3.394 -8.336 1.00 0.39 C ATOM 1003 O MET A 72 0.766 3.843 -9.410 1.00 0.72 O ATOM 1004 CB MET A 72 0.869 3.158 -5.875 1.00 0.35 C ATOM 1005 CG MET A 72 1.250 4.551 -5.445 1.00 0.40 C ATOM 1006 SD MET A 72 0.025 5.796 -5.890 1.00 1.11 S ATOM 1007 CE MET A 72 0.775 7.263 -5.189 1.00 1.20 C ATOM 0 H MET A 72 3.339 2.315 -7.350 1.00 0.31 H new ATOM 0 HA MET A 72 1.229 1.714 -7.450 1.00 0.32 H new ATOM 0 HB2 MET A 72 -0.213 3.052 -5.803 1.00 0.35 H new ATOM 0 HB3 MET A 72 1.306 2.444 -5.177 1.00 0.35 H new ATOM 0 HG2 MET A 72 1.394 4.563 -4.365 1.00 0.40 H new ATOM 0 HG3 MET A 72 2.206 4.814 -5.897 1.00 0.40 H new ATOM 0 HE1 MET A 72 0.136 8.125 -5.380 1.00 1.20 H new ATOM 0 HE2 MET A 72 0.895 7.132 -4.114 1.00 1.20 H new ATOM 0 HE3 MET A 72 1.751 7.426 -5.646 1.00 1.20 H new ATOM 1017 N ALA A 73 -0.926 3.350 -8.000 1.00 0.48 N ATOM 1018 CA ALA A 73 -1.996 3.791 -8.865 1.00 0.56 C ATOM 1019 C ALA A 73 -3.265 3.918 -8.045 1.00 0.61 C ATOM 1020 O ALA A 73 -4.109 3.022 -8.080 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.195 2.825 -10.023 1.00 0.67 C ATOM 0 H ALA A 73 -1.251 2.999 -7.099 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.739 4.760 -9.293 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.006 3.181 -10.658 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -1.277 2.763 -10.607 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -2.445 1.838 -9.634 1.00 0.67 H new ATOM 1027 N ASN A 74 -3.365 5.054 -7.329 1.00 0.64 N ATOM 1028 CA ASN A 74 -4.413 5.330 -6.324 1.00 0.74 C ATOM 1029 C ASN A 74 -5.634 4.427 -6.485 1.00 0.92 C ATOM 1030 O ASN A 74 -5.895 3.568 -5.652 1.00 1.68 O ATOM 1031 CB ASN A 74 -4.845 6.794 -6.409 1.00 0.89 C ATOM 1032 CG ASN A 74 -3.730 7.771 -6.084 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -2.835 7.388 -5.188 1.00 2.37 O flip ATOM 1034 ND2 ASN A 74 -3.678 8.869 -6.634 1.00 1.58 N flip ATOM 0 H ASN A 74 -2.705 5.824 -7.435 1.00 0.64 H new ATOM 0 HA ASN A 74 -3.979 5.121 -5.346 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -5.216 6.998 -7.414 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -5.675 6.961 -5.723 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -4.386 9.130 -7.320 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -2.927 9.519 -6.404 1.00 1.58 H new ATOM 1041 N ASP A 75 -6.384 4.622 -7.550 1.00 0.91 N ATOM 1042 CA ASP A 75 -7.424 3.674 -7.919 1.00 0.98 C ATOM 1043 C ASP A 75 -7.597 3.685 -9.424 1.00 0.96 C ATOM 1044 O ASP A 75 -8.705 3.602 -9.947 1.00 1.14 O ATOM 1045 CB ASP A 75 -8.755 3.960 -7.197 1.00 1.22 C ATOM 1046 CG ASP A 75 -9.359 5.313 -7.521 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -8.951 6.314 -6.895 1.00 2.38 O ATOM 1048 OD2 ASP A 75 -10.272 5.378 -8.369 1.00 2.37 O ATOM 0 H ASP A 75 -6.297 5.423 -8.175 1.00 0.91 H new ATOM 0 HA ASP A 75 -7.114 2.679 -7.599 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -9.472 3.182 -7.459 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -8.593 3.895 -6.121 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.470 3.778 -10.116 1.00 0.81 N ATOM 1054 CA TYR A 76 -6.467 3.870 -11.560 1.00 0.88 C ATOM 1055 C TYR A 76 -6.084 2.532 -12.181 1.00 0.93 C ATOM 1056 O TYR A 76 -6.998 1.769 -12.555 1.00 1.47 O ATOM 1057 CB TYR A 76 -5.508 4.970 -11.992 1.00 0.91 C ATOM 1058 CG TYR A 76 -5.902 6.333 -11.468 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -6.936 7.057 -12.049 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -5.223 6.904 -10.402 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -7.278 8.308 -11.582 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -5.561 8.151 -9.926 1.00 1.23 C ATOM 1063 CZ TYR A 76 -6.663 8.821 -10.492 1.00 1.45 C ATOM 1064 OH TYR A 76 -6.920 10.105 -10.052 1.00 1.70 O ATOM 0 H TYR A 76 -5.542 3.791 -9.692 1.00 0.81 H new ATOM 0 HA TYR A 76 -7.469 4.119 -11.909 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -4.504 4.728 -11.642 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -5.467 5.003 -13.081 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -7.480 6.633 -12.880 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -4.414 6.360 -9.937 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -8.040 8.881 -12.089 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -4.990 8.608 -9.131 1.00 1.23 H new ATOM 0 HH TYR A 76 -6.382 10.291 -9.254 1.00 1.70 H new TER 1074 TYR A 76