USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 506 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: C 18 SER OG : rot 177:sc= 1.16 USER MOD Set 1.2: C 20 THR OG1 : rot 85:sc= 0.875 USER MOD Single : C 9 THR OG1 : rot 42:sc= 0.211 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 89:sc= -1.36! USER MOD Single : C 22 THR OG1 : rot 180:sc= -0.202 USER MOD Single : C 25 SER OG : rot 180:sc= 0.122 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 36 ASN : amide:sc= -0.395 K(o=-0.39,f=-3.2!) USER MOD Single : C 37 ASN : amide:sc= -1.65 K(o=-1.6,f=-0.63) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HE2:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 100:sc= -2.02! USER MOD Single : C 59 ASN : amide:sc= -3.64! C(o=-3.6!,f=-7.6!) USER MOD Single : C 60 TYR OH : rot 180:sc= -0.197 USER MOD Single : C 64 SER OG : rot 140:sc=-0.00755 USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 4.601 2.396 -25.929 1.00 0.00 N ATOM 2 CA THR C 9 3.872 3.290 -24.986 1.00 0.00 C ATOM 3 C THR C 9 3.448 2.491 -23.752 1.00 0.00 C ATOM 4 O THR C 9 2.918 1.402 -23.858 1.00 0.00 O ATOM 5 CB THR C 9 2.633 3.859 -25.680 1.00 0.00 C ATOM 6 OG1 THR C 9 3.016 4.453 -26.912 1.00 0.00 O ATOM 7 CG2 THR C 9 1.983 4.912 -24.782 1.00 0.00 C ATOM 0 HA THR C 9 4.524 4.108 -24.681 1.00 0.00 H new ATOM 0 HB THR C 9 1.919 3.057 -25.869 1.00 0.00 H new ATOM 0 HG1 THR C 9 3.672 3.880 -27.361 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.100 5.317 -25.277 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.691 4.454 -23.837 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.693 5.716 -24.591 1.00 0.00 H new ATOM 14 N PHE C 10 3.674 3.022 -22.581 1.00 0.00 N ATOM 15 CA PHE C 10 3.282 2.291 -21.344 1.00 0.00 C ATOM 16 C PHE C 10 2.012 2.914 -20.763 1.00 0.00 C ATOM 17 O PHE C 10 1.528 3.920 -21.241 1.00 0.00 O ATOM 18 CB PHE C 10 4.414 2.380 -20.320 1.00 0.00 C ATOM 19 CG PHE C 10 5.368 1.201 -20.518 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.392 1.277 -21.444 1.00 0.00 C ATOM 21 CD2 PHE C 10 5.216 0.044 -19.778 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.251 0.212 -21.627 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.075 -1.021 -19.961 1.00 0.00 C ATOM 24 CZ PHE C 10 7.091 -0.937 -20.885 1.00 0.00 C ATOM 0 H PHE C 10 4.113 3.930 -22.428 1.00 0.00 H new ATOM 0 HA PHE C 10 3.093 1.245 -21.584 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.952 3.321 -20.436 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.007 2.368 -19.309 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.521 2.176 -22.028 1.00 0.00 H new ATOM 0 HD2 PHE C 10 4.420 -0.028 -19.052 1.00 0.00 H new ATOM 0 HE1 PHE C 10 8.049 0.280 -22.352 1.00 0.00 H new ATOM 0 HE2 PHE C 10 5.949 -1.921 -19.378 1.00 0.00 H new ATOM 0 HZ PHE C 10 7.762 -1.771 -21.028 1.00 0.00 H new ATOM 34 N VAL C 11 1.471 2.328 -19.728 1.00 0.00 N ATOM 35 CA VAL C 11 0.233 2.890 -19.119 1.00 0.00 C ATOM 36 C VAL C 11 0.251 2.649 -17.607 1.00 0.00 C ATOM 37 O VAL C 11 0.714 1.631 -17.134 1.00 0.00 O ATOM 38 CB VAL C 11 -0.991 2.205 -19.737 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.226 2.479 -18.876 1.00 0.00 C ATOM 40 CG2 VAL C 11 -1.224 2.752 -21.145 1.00 0.00 C ATOM 0 H VAL C 11 1.833 1.486 -19.280 1.00 0.00 H new ATOM 0 HA VAL C 11 0.185 3.962 -19.311 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.815 1.130 -19.786 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.094 1.990 -19.319 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.063 2.089 -17.871 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.402 3.553 -18.824 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -2.094 2.265 -21.585 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -1.397 3.827 -21.094 1.00 0.00 H new ATOM 0 HG23 VAL C 11 -0.347 2.554 -21.762 1.00 0.00 H new ATOM 50 N ALA C 12 -0.255 3.581 -16.847 1.00 0.00 N ATOM 51 CA ALA C 12 -0.270 3.412 -15.367 1.00 0.00 C ATOM 52 C ALA C 12 -1.246 2.298 -14.985 1.00 0.00 C ATOM 53 O ALA C 12 -2.426 2.529 -14.808 1.00 0.00 O ATOM 54 CB ALA C 12 -0.712 4.720 -14.712 1.00 0.00 C ATOM 0 H ALA C 12 -0.659 4.453 -17.188 1.00 0.00 H new ATOM 0 HA ALA C 12 0.730 3.149 -15.023 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.724 4.599 -13.629 1.00 0.00 H new ATOM 0 HB2 ALA C 12 -0.016 5.515 -14.981 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.712 4.981 -15.059 1.00 0.00 H new ATOM 60 N LEU C 13 -0.766 1.091 -14.858 1.00 0.00 N ATOM 61 CA LEU C 13 -1.669 -0.034 -14.488 1.00 0.00 C ATOM 62 C LEU C 13 -2.357 0.281 -13.158 1.00 0.00 C ATOM 63 O LEU C 13 -3.481 -0.113 -12.921 1.00 0.00 O ATOM 64 CB LEU C 13 -0.853 -1.320 -14.339 1.00 0.00 C ATOM 65 CG LEU C 13 -0.579 -1.919 -15.721 1.00 0.00 C ATOM 66 CD1 LEU C 13 0.098 -3.282 -15.559 1.00 0.00 C ATOM 67 CD2 LEU C 13 -1.899 -2.093 -16.475 1.00 0.00 C ATOM 0 H LEU C 13 0.212 0.836 -14.995 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.419 -0.165 -15.268 1.00 0.00 H new ATOM 0 HB2 LEU C 13 0.088 -1.109 -13.830 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -1.395 -2.037 -13.722 1.00 0.00 H new ATOM 0 HG LEU C 13 0.074 -1.251 -16.283 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.294 -3.710 -16.542 1.00 0.00 H new ATOM 0 HD12 LEU C 13 1.039 -3.159 -15.023 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.556 -3.949 -14.997 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.703 -2.519 -17.459 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.553 -2.761 -15.914 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.383 -1.123 -16.590 1.00 0.00 H new ATOM 79 N TYR C 14 -1.691 0.989 -12.288 1.00 0.00 N ATOM 80 CA TYR C 14 -2.311 1.326 -10.975 1.00 0.00 C ATOM 81 C TYR C 14 -2.068 2.799 -10.649 1.00 0.00 C ATOM 82 O TYR C 14 -0.992 3.323 -10.860 1.00 0.00 O ATOM 83 CB TYR C 14 -1.695 0.451 -9.889 1.00 0.00 C ATOM 84 CG TYR C 14 -2.153 -0.989 -10.106 1.00 0.00 C ATOM 85 CD1 TYR C 14 -1.731 -1.691 -11.212 1.00 0.00 C ATOM 86 CD2 TYR C 14 -3.003 -1.597 -9.210 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.153 -2.986 -11.424 1.00 0.00 C ATOM 88 CE2 TYR C 14 -3.427 -2.895 -9.418 1.00 0.00 C ATOM 89 CZ TYR C 14 -3.004 -3.600 -10.528 1.00 0.00 C ATOM 90 OH TYR C 14 -3.427 -4.897 -10.737 1.00 0.00 O ATOM 0 H TYR C 14 -0.747 1.348 -12.429 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.385 1.146 -11.024 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.607 0.512 -9.926 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.000 0.801 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -1.063 -1.223 -11.920 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -3.341 -1.056 -8.339 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -1.815 -3.524 -12.298 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -4.094 -3.362 -8.708 1.00 0.00 H new ATOM 0 HH TYR C 14 -4.021 -5.169 -10.006 1.00 0.00 H new ATOM 100 N ASP C 15 -3.059 3.474 -10.135 1.00 0.00 N ATOM 101 CA ASP C 15 -2.887 4.909 -9.794 1.00 0.00 C ATOM 102 C ASP C 15 -1.661 5.074 -8.892 1.00 0.00 C ATOM 103 O ASP C 15 -1.536 4.420 -7.875 1.00 0.00 O ATOM 104 CB ASP C 15 -4.135 5.404 -9.062 1.00 0.00 C ATOM 105 CG ASP C 15 -4.158 4.837 -7.641 1.00 0.00 C ATOM 106 OD1 ASP C 15 -3.559 5.448 -6.771 1.00 0.00 O ATOM 107 OD2 ASP C 15 -4.772 3.801 -7.447 1.00 0.00 O ATOM 0 H ASP C 15 -3.983 3.090 -9.937 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.744 5.490 -10.705 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.141 6.493 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -5.031 5.096 -9.601 1.00 0.00 H new ATOM 112 N TYR C 16 -0.755 5.939 -9.257 1.00 0.00 N ATOM 113 CA TYR C 16 0.458 6.141 -8.418 1.00 0.00 C ATOM 114 C TYR C 16 0.378 7.497 -7.718 1.00 0.00 C ATOM 115 O TYR C 16 0.444 8.537 -8.346 1.00 0.00 O ATOM 116 CB TYR C 16 1.703 6.094 -9.304 1.00 0.00 C ATOM 117 CG TYR C 16 2.944 6.358 -8.452 1.00 0.00 C ATOM 118 CD1 TYR C 16 3.056 5.811 -7.189 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.969 7.147 -8.932 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.176 6.047 -6.419 1.00 0.00 C ATOM 121 CE2 TYR C 16 5.090 7.384 -8.162 1.00 0.00 C ATOM 122 CZ TYR C 16 5.201 6.837 -6.900 1.00 0.00 C ATOM 123 OH TYR C 16 6.323 7.074 -6.130 1.00 0.00 O ATOM 0 H TYR C 16 -0.803 6.513 -10.099 1.00 0.00 H new ATOM 0 HA TYR C 16 0.516 5.352 -7.668 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.781 5.121 -9.788 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.627 6.839 -10.096 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.260 5.193 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.894 7.582 -9.917 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.251 5.611 -5.434 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.886 8.002 -8.550 1.00 0.00 H new ATOM 0 HH TYR C 16 6.986 6.370 -6.292 1.00 0.00 H new ATOM 133 N GLU C 17 0.238 7.496 -6.420 1.00 0.00 N ATOM 134 CA GLU C 17 0.154 8.782 -5.675 1.00 0.00 C ATOM 135 C GLU C 17 1.394 8.939 -4.793 1.00 0.00 C ATOM 136 O GLU C 17 1.302 9.011 -3.583 1.00 0.00 O ATOM 137 CB GLU C 17 -1.100 8.780 -4.797 1.00 0.00 C ATOM 138 CG GLU C 17 -1.813 10.128 -4.920 1.00 0.00 C ATOM 139 CD GLU C 17 -3.078 9.959 -5.765 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.065 9.126 -6.657 1.00 0.00 O ATOM 141 OE2 GLU C 17 -4.039 10.664 -5.505 1.00 0.00 O ATOM 0 H GLU C 17 0.178 6.657 -5.843 1.00 0.00 H new ATOM 0 HA GLU C 17 0.102 9.611 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.768 7.974 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -0.829 8.594 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -2.071 10.507 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -1.151 10.862 -5.380 1.00 0.00 H new ATOM 148 N SER C 18 2.556 8.990 -5.388 1.00 0.00 N ATOM 149 CA SER C 18 3.801 9.142 -4.583 1.00 0.00 C ATOM 150 C SER C 18 3.637 10.301 -3.598 1.00 0.00 C ATOM 151 O SER C 18 2.608 10.945 -3.547 1.00 0.00 O ATOM 152 CB SER C 18 4.979 9.427 -5.517 1.00 0.00 C ATOM 153 OG SER C 18 5.257 10.819 -5.521 1.00 0.00 O ATOM 0 H SER C 18 2.696 8.933 -6.397 1.00 0.00 H new ATOM 0 HA SER C 18 3.990 8.222 -4.029 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.858 8.871 -5.190 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.746 9.090 -6.527 1.00 0.00 H new ATOM 0 HG SER C 18 6.041 10.994 -6.082 1.00 0.00 H new ATOM 159 N ARG C 19 4.645 10.573 -2.814 1.00 0.00 N ATOM 160 CA ARG C 19 4.547 11.690 -1.833 1.00 0.00 C ATOM 161 C ARG C 19 5.720 12.653 -2.037 1.00 0.00 C ATOM 162 O ARG C 19 5.920 13.573 -1.267 1.00 0.00 O ATOM 163 CB ARG C 19 4.589 11.124 -0.411 1.00 0.00 C ATOM 164 CG ARG C 19 3.218 11.298 0.247 1.00 0.00 C ATOM 165 CD ARG C 19 2.548 9.930 0.399 1.00 0.00 C ATOM 166 NE ARG C 19 1.713 9.921 1.633 1.00 0.00 N ATOM 167 CZ ARG C 19 0.807 8.995 1.806 1.00 0.00 C ATOM 168 NH1 ARG C 19 0.631 8.071 0.901 1.00 0.00 N ATOM 169 NH2 ARG C 19 0.078 8.993 2.888 1.00 0.00 N ATOM 0 H ARG C 19 5.532 10.069 -2.811 1.00 0.00 H new ATOM 0 HA ARG C 19 3.609 12.225 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.861 10.069 -0.436 1.00 0.00 H new ATOM 0 HB3 ARG C 19 5.353 11.637 0.174 1.00 0.00 H new ATOM 0 HG2 ARG C 19 3.328 11.771 1.223 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.593 11.956 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG C 19 1.930 9.717 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.304 9.147 0.453 1.00 0.00 H new ATOM 0 HE ARG C 19 1.849 10.639 2.344 1.00 0.00 H new ATOM 0 HH11 ARG C 19 1.201 8.070 0.055 1.00 0.00 H new ATOM 0 HH12 ARG C 19 -0.077 7.350 1.039 1.00 0.00 H new ATOM 0 HH21 ARG C 19 0.216 9.713 3.597 1.00 0.00 H new ATOM 0 HH22 ARG C 19 -0.630 8.271 3.025 1.00 0.00 H new ATOM 183 N THR C 20 6.496 12.452 -3.068 1.00 0.00 N ATOM 184 CA THR C 20 7.655 13.357 -3.318 1.00 0.00 C ATOM 185 C THR C 20 7.367 14.227 -4.545 1.00 0.00 C ATOM 186 O THR C 20 6.567 13.881 -5.389 1.00 0.00 O ATOM 187 CB THR C 20 8.909 12.517 -3.574 1.00 0.00 C ATOM 188 OG1 THR C 20 8.530 11.242 -4.074 1.00 0.00 O ATOM 189 CG2 THR C 20 9.687 12.345 -2.270 1.00 0.00 C ATOM 0 H THR C 20 6.378 11.701 -3.748 1.00 0.00 H new ATOM 0 HA THR C 20 7.813 13.995 -2.448 1.00 0.00 H new ATOM 0 HB THR C 20 9.540 13.022 -4.306 1.00 0.00 H new ATOM 0 HG1 THR C 20 8.412 11.294 -5.045 1.00 0.00 H new ATOM 0 HG21 THR C 20 10.579 11.747 -2.455 1.00 0.00 H new ATOM 0 HG22 THR C 20 9.979 13.324 -1.889 1.00 0.00 H new ATOM 0 HG23 THR C 20 9.059 11.842 -1.535 1.00 0.00 H new ATOM 197 N GLU C 21 8.014 15.357 -4.647 1.00 0.00 N ATOM 198 CA GLU C 21 7.778 16.248 -5.816 1.00 0.00 C ATOM 199 C GLU C 21 8.706 15.846 -6.965 1.00 0.00 C ATOM 200 O GLU C 21 8.936 16.606 -7.884 1.00 0.00 O ATOM 201 CB GLU C 21 8.064 17.695 -5.413 1.00 0.00 C ATOM 202 CG GLU C 21 9.343 17.754 -4.574 1.00 0.00 C ATOM 203 CD GLU C 21 10.112 19.034 -4.905 1.00 0.00 C ATOM 204 OE1 GLU C 21 9.859 19.599 -5.956 1.00 0.00 O ATOM 205 OE2 GLU C 21 10.942 19.426 -4.101 1.00 0.00 O ATOM 0 H GLU C 21 8.696 15.700 -3.970 1.00 0.00 H new ATOM 0 HA GLU C 21 6.742 16.155 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.172 18.316 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU C 21 7.226 18.097 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU C 21 9.096 17.730 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU C 21 9.964 16.881 -4.777 1.00 0.00 H new ATOM 212 N THR C 22 9.241 14.657 -6.922 1.00 0.00 N ATOM 213 CA THR C 22 10.152 14.211 -8.015 1.00 0.00 C ATOM 214 C THR C 22 9.404 13.252 -8.942 1.00 0.00 C ATOM 215 O THR C 22 9.652 13.201 -10.129 1.00 0.00 O ATOM 216 CB THR C 22 11.362 13.494 -7.411 1.00 0.00 C ATOM 217 OG1 THR C 22 10.961 12.797 -6.240 1.00 0.00 O ATOM 218 CG2 THR C 22 12.441 14.517 -7.057 1.00 0.00 C ATOM 0 H THR C 22 9.087 13.976 -6.179 1.00 0.00 H new ATOM 0 HA THR C 22 10.489 15.078 -8.583 1.00 0.00 H new ATOM 0 HB THR C 22 11.764 12.785 -8.135 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.734 12.336 -5.853 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.301 14.004 -6.627 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.748 15.048 -7.958 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.044 15.229 -6.333 1.00 0.00 H new ATOM 226 N ASP C 23 8.488 12.491 -8.406 1.00 0.00 N ATOM 227 CA ASP C 23 7.723 11.534 -9.256 1.00 0.00 C ATOM 228 C ASP C 23 6.416 12.191 -9.707 1.00 0.00 C ATOM 229 O ASP C 23 5.795 12.930 -8.969 1.00 0.00 O ATOM 230 CB ASP C 23 7.399 10.258 -8.464 1.00 0.00 C ATOM 231 CG ASP C 23 8.205 10.217 -7.162 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.358 9.820 -7.213 1.00 0.00 O ATOM 233 OD2 ASP C 23 7.655 10.582 -6.137 1.00 0.00 O ATOM 0 H ASP C 23 8.237 12.491 -7.417 1.00 0.00 H new ATOM 0 HA ASP C 23 8.328 11.270 -10.123 1.00 0.00 H new ATOM 0 HB2 ASP C 23 6.333 10.222 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.627 9.380 -9.068 1.00 0.00 H new ATOM 238 N LEU C 24 5.997 11.929 -10.914 1.00 0.00 N ATOM 239 CA LEU C 24 4.733 12.538 -11.414 1.00 0.00 C ATOM 240 C LEU C 24 3.555 11.613 -11.102 1.00 0.00 C ATOM 241 O LEU C 24 3.187 10.774 -11.899 1.00 0.00 O ATOM 242 CB LEU C 24 4.828 12.740 -12.928 1.00 0.00 C ATOM 243 CG LEU C 24 5.764 13.913 -13.226 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.000 14.005 -14.734 1.00 0.00 C ATOM 245 CD2 LEU C 24 5.129 15.212 -12.729 1.00 0.00 C ATOM 0 H LEU C 24 6.476 11.319 -11.576 1.00 0.00 H new ATOM 0 HA LEU C 24 4.580 13.499 -10.924 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.200 11.833 -13.404 1.00 0.00 H new ATOM 0 HB3 LEU C 24 3.839 12.935 -13.343 1.00 0.00 H new ATOM 0 HG LEU C 24 6.715 13.757 -12.718 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.667 14.840 -14.948 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.453 13.079 -15.089 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.049 14.161 -15.242 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.796 16.048 -12.941 1.00 0.00 H new ATOM 0 HD22 LEU C 24 4.177 15.369 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.960 15.147 -11.654 1.00 0.00 H new ATOM 257 N SER C 25 2.961 11.757 -9.950 1.00 0.00 N ATOM 258 CA SER C 25 1.807 10.880 -9.601 1.00 0.00 C ATOM 259 C SER C 25 0.859 10.810 -10.799 1.00 0.00 C ATOM 260 O SER C 25 0.551 11.812 -11.414 1.00 0.00 O ATOM 261 CB SER C 25 1.064 11.458 -8.393 1.00 0.00 C ATOM 262 OG SER C 25 1.695 12.658 -7.974 1.00 0.00 O ATOM 0 H SER C 25 3.222 12.440 -9.238 1.00 0.00 H new ATOM 0 HA SER C 25 2.166 9.881 -9.353 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.024 11.654 -8.653 1.00 0.00 H new ATOM 0 HB3 SER C 25 1.058 10.735 -7.577 1.00 0.00 H new ATOM 0 HG SER C 25 1.217 13.027 -7.202 1.00 0.00 H new ATOM 268 N PHE C 26 0.393 9.640 -11.142 1.00 0.00 N ATOM 269 CA PHE C 26 -0.531 9.529 -12.307 1.00 0.00 C ATOM 270 C PHE C 26 -1.773 8.726 -11.915 1.00 0.00 C ATOM 271 O PHE C 26 -1.876 8.209 -10.821 1.00 0.00 O ATOM 272 CB PHE C 26 0.184 8.828 -13.463 1.00 0.00 C ATOM 273 CG PHE C 26 0.978 7.635 -12.929 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.360 6.415 -12.750 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.324 7.759 -12.630 1.00 0.00 C ATOM 276 CE1 PHE C 26 1.072 5.330 -12.281 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.037 6.674 -12.159 1.00 0.00 C ATOM 278 CZ PHE C 26 2.411 5.460 -11.985 1.00 0.00 C ATOM 0 H PHE C 26 0.610 8.762 -10.670 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.834 10.529 -12.617 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.543 8.492 -14.203 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.852 9.526 -13.967 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.690 6.308 -12.979 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.819 8.709 -12.766 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.579 4.379 -12.146 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.087 6.778 -11.927 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.969 4.611 -11.617 1.00 0.00 H new ATOM 288 N LYS C 27 -2.719 8.621 -12.810 1.00 0.00 N ATOM 289 CA LYS C 27 -3.962 7.855 -12.507 1.00 0.00 C ATOM 290 C LYS C 27 -4.092 6.695 -13.497 1.00 0.00 C ATOM 291 O LYS C 27 -3.449 6.673 -14.527 1.00 0.00 O ATOM 292 CB LYS C 27 -5.172 8.782 -12.644 1.00 0.00 C ATOM 293 CG LYS C 27 -6.423 8.085 -12.106 1.00 0.00 C ATOM 294 CD LYS C 27 -6.223 7.745 -10.628 1.00 0.00 C ATOM 295 CE LYS C 27 -7.562 7.853 -9.896 1.00 0.00 C ATOM 296 NZ LYS C 27 -7.816 9.277 -9.535 1.00 0.00 N ATOM 0 H LYS C 27 -2.684 9.035 -13.742 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.917 7.464 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.996 9.708 -12.096 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.317 9.053 -13.690 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -7.292 8.731 -12.227 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -6.619 7.177 -12.676 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -5.821 6.737 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -5.496 8.424 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -8.366 7.478 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.549 7.236 -8.998 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -8.726 9.352 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -7.054 9.620 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -7.846 9.854 -10.400 1.00 0.00 H new ATOM 310 N LYS C 28 -4.918 5.733 -13.195 1.00 0.00 N ATOM 311 CA LYS C 28 -5.085 4.579 -14.124 1.00 0.00 C ATOM 312 C LYS C 28 -5.438 5.094 -15.520 1.00 0.00 C ATOM 313 O LYS C 28 -6.350 5.879 -15.692 1.00 0.00 O ATOM 314 CB LYS C 28 -6.210 3.672 -13.619 1.00 0.00 C ATOM 315 CG LYS C 28 -6.572 2.657 -14.704 1.00 0.00 C ATOM 316 CD LYS C 28 -7.371 1.508 -14.085 1.00 0.00 C ATOM 317 CE LYS C 28 -7.843 0.561 -15.191 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.033 -0.201 -14.719 1.00 0.00 N ATOM 0 H LYS C 28 -5.484 5.695 -12.347 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.154 4.014 -14.168 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.895 3.155 -12.713 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.084 4.269 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -7.157 3.140 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.666 2.272 -15.173 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -6.754 0.967 -13.367 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -8.228 1.900 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.093 1.128 -16.088 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -7.042 -0.127 -15.462 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -9.354 -0.844 -15.471 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -8.779 -0.753 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -9.798 0.462 -14.481 1.00 0.00 H new ATOM 332 N GLY C 29 -4.721 4.661 -16.521 1.00 0.00 N ATOM 333 CA GLY C 29 -5.015 5.125 -17.907 1.00 0.00 C ATOM 334 C GLY C 29 -4.072 6.273 -18.275 1.00 0.00 C ATOM 335 O GLY C 29 -4.208 6.892 -19.312 1.00 0.00 O ATOM 0 H GLY C 29 -3.944 4.006 -16.439 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -4.893 4.301 -18.611 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.051 5.455 -17.979 1.00 0.00 H new ATOM 339 N GLU C 30 -3.117 6.563 -17.434 1.00 0.00 N ATOM 340 CA GLU C 30 -2.169 7.671 -17.740 1.00 0.00 C ATOM 341 C GLU C 30 -1.070 7.161 -18.674 1.00 0.00 C ATOM 342 O GLU C 30 -0.236 6.364 -18.292 1.00 0.00 O ATOM 343 CB GLU C 30 -1.540 8.179 -16.442 1.00 0.00 C ATOM 344 CG GLU C 30 -0.885 9.540 -16.691 1.00 0.00 C ATOM 345 CD GLU C 30 -1.843 10.653 -16.262 1.00 0.00 C ATOM 346 OE1 GLU C 30 -2.281 10.625 -15.123 1.00 0.00 O ATOM 347 OE2 GLU C 30 -2.122 11.515 -17.079 1.00 0.00 O ATOM 0 H GLU C 30 -2.953 6.081 -16.550 1.00 0.00 H new ATOM 0 HA GLU C 30 -2.708 8.485 -18.225 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.301 8.266 -15.666 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -0.798 7.467 -16.082 1.00 0.00 H new ATOM 0 HG2 GLU C 30 0.048 9.614 -16.133 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -0.635 9.648 -17.746 1.00 0.00 H new ATOM 354 N ARG C 31 -1.063 7.613 -19.899 1.00 0.00 N ATOM 355 CA ARG C 31 -0.018 7.153 -20.857 1.00 0.00 C ATOM 356 C ARG C 31 1.336 7.743 -20.457 1.00 0.00 C ATOM 357 O ARG C 31 1.493 8.942 -20.347 1.00 0.00 O ATOM 358 CB ARG C 31 -0.382 7.622 -22.268 1.00 0.00 C ATOM 359 CG ARG C 31 -1.664 6.923 -22.724 1.00 0.00 C ATOM 360 CD ARG C 31 -1.547 6.559 -24.205 1.00 0.00 C ATOM 361 NE ARG C 31 -2.290 5.295 -24.467 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.595 5.274 -24.397 1.00 0.00 C ATOM 363 NH1 ARG C 31 -4.254 6.361 -24.098 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.241 4.164 -24.627 1.00 0.00 N ATOM 0 H ARG C 31 -1.735 8.280 -20.277 1.00 0.00 H new ATOM 0 HA ARG C 31 0.041 6.065 -20.838 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.521 8.703 -22.279 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.432 7.399 -22.958 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -1.832 6.025 -22.130 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.523 7.575 -22.566 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -1.949 7.364 -24.821 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -0.499 6.441 -24.479 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.779 4.444 -24.702 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.750 7.230 -23.918 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.272 6.341 -24.044 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.728 3.314 -24.861 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.259 4.146 -24.573 1.00 0.00 H new ATOM 378 N LEU C 32 2.316 6.908 -20.239 1.00 0.00 N ATOM 379 CA LEU C 32 3.658 7.423 -19.847 1.00 0.00 C ATOM 380 C LEU C 32 4.716 6.863 -20.800 1.00 0.00 C ATOM 381 O LEU C 32 4.753 5.681 -21.075 1.00 0.00 O ATOM 382 CB LEU C 32 3.975 6.984 -18.416 1.00 0.00 C ATOM 383 CG LEU C 32 2.995 7.652 -17.450 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.497 6.621 -16.433 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.702 8.792 -16.713 1.00 0.00 C ATOM 0 H LEU C 32 2.245 5.893 -20.315 1.00 0.00 H new ATOM 0 HA LEU C 32 3.660 8.512 -19.901 1.00 0.00 H new ATOM 0 HB2 LEU C 32 3.903 5.900 -18.332 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.999 7.256 -18.159 1.00 0.00 H new ATOM 0 HG LEU C 32 2.148 8.050 -18.010 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.799 7.097 -15.745 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.994 5.808 -16.956 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.344 6.223 -15.874 1.00 0.00 H new ATOM 0 HD21 LEU C 32 3.004 9.268 -16.025 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.549 8.394 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU C 32 4.058 9.527 -17.435 1.00 0.00 H new ATOM 397 N GLN C 33 5.577 7.704 -21.306 1.00 0.00 N ATOM 398 CA GLN C 33 6.631 7.218 -22.241 1.00 0.00 C ATOM 399 C GLN C 33 7.833 6.715 -21.440 1.00 0.00 C ATOM 400 O GLN C 33 8.706 7.476 -21.069 1.00 0.00 O ATOM 401 CB GLN C 33 7.071 8.365 -23.154 1.00 0.00 C ATOM 402 CG GLN C 33 8.016 7.823 -24.230 1.00 0.00 C ATOM 403 CD GLN C 33 7.596 8.367 -25.598 1.00 0.00 C ATOM 404 OE1 GLN C 33 8.125 9.361 -26.056 1.00 0.00 O ATOM 405 NE2 GLN C 33 6.664 7.753 -26.272 1.00 0.00 N ATOM 0 H GLN C 33 5.596 8.705 -21.112 1.00 0.00 H new ATOM 0 HA GLN C 33 6.232 6.404 -22.846 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.201 8.829 -23.618 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.571 9.138 -22.570 1.00 0.00 H new ATOM 0 HG2 GLN C 33 9.042 8.117 -24.009 1.00 0.00 H new ATOM 0 HG3 GLN C 33 7.990 6.733 -24.236 1.00 0.00 H new ATOM 0 HE21 GLN C 33 6.221 6.919 -25.886 1.00 0.00 H new ATOM 0 HE22 GLN C 33 6.378 8.107 -27.185 1.00 0.00 H new ATOM 414 N ILE C 34 7.887 5.440 -21.171 1.00 0.00 N ATOM 415 CA ILE C 34 9.034 4.890 -20.395 1.00 0.00 C ATOM 416 C ILE C 34 10.345 5.392 -21.006 1.00 0.00 C ATOM 417 O ILE C 34 10.443 5.608 -22.197 1.00 0.00 O ATOM 418 CB ILE C 34 8.998 3.362 -20.444 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.843 2.848 -19.582 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.320 2.805 -19.909 1.00 0.00 C ATOM 421 CD1 ILE C 34 8.063 3.273 -18.129 1.00 0.00 C ATOM 0 H ILE C 34 7.187 4.755 -21.455 1.00 0.00 H new ATOM 0 HA ILE C 34 8.965 5.219 -19.358 1.00 0.00 H new ATOM 0 HB ILE C 34 8.854 3.036 -21.474 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.897 3.245 -19.949 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.780 1.762 -19.649 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.296 1.716 -19.943 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.143 3.169 -20.523 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.463 3.133 -18.879 1.00 0.00 H new ATOM 0 HD11 ILE C 34 7.240 2.907 -17.514 1.00 0.00 H new ATOM 0 HD12 ILE C 34 9.002 2.855 -17.766 1.00 0.00 H new ATOM 0 HD13 ILE C 34 8.104 4.361 -18.070 1.00 0.00 H new ATOM 433 N VAL C 35 11.354 5.577 -20.199 1.00 0.00 N ATOM 434 CA VAL C 35 12.656 6.063 -20.736 1.00 0.00 C ATOM 435 C VAL C 35 13.698 4.950 -20.630 1.00 0.00 C ATOM 436 O VAL C 35 14.547 4.797 -21.486 1.00 0.00 O ATOM 437 CB VAL C 35 13.120 7.276 -19.929 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.551 7.639 -20.331 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.195 8.462 -20.212 1.00 0.00 C ATOM 0 H VAL C 35 11.333 5.413 -19.193 1.00 0.00 H new ATOM 0 HA VAL C 35 12.534 6.348 -21.781 1.00 0.00 H new ATOM 0 HB VAL C 35 13.090 7.037 -18.866 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.882 8.504 -19.756 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.211 6.795 -20.130 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.581 7.877 -21.394 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.526 9.327 -19.637 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.224 8.701 -21.275 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.175 8.204 -19.926 1.00 0.00 H new ATOM 449 N ASN C 36 13.641 4.173 -19.585 1.00 0.00 N ATOM 450 CA ASN C 36 14.628 3.069 -19.424 1.00 0.00 C ATOM 451 C ASN C 36 14.099 2.054 -18.410 1.00 0.00 C ATOM 452 O ASN C 36 13.116 2.288 -17.737 1.00 0.00 O ATOM 453 CB ASN C 36 15.957 3.642 -18.926 1.00 0.00 C ATOM 454 CG ASN C 36 17.095 3.131 -19.813 1.00 0.00 C ATOM 455 OD1 ASN C 36 16.863 2.675 -20.915 1.00 0.00 O ATOM 456 ND2 ASN C 36 18.324 3.190 -19.376 1.00 0.00 N ATOM 0 H ASN C 36 12.954 4.254 -18.835 1.00 0.00 H new ATOM 0 HA ASN C 36 14.781 2.576 -20.384 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.926 4.731 -18.946 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.128 3.347 -17.891 1.00 0.00 H new ATOM 0 HD21 ASN C 36 19.090 2.853 -19.960 1.00 0.00 H new ATOM 0 HD22 ASN C 36 18.518 3.573 -18.451 1.00 0.00 H new ATOM 463 N ASN C 37 14.746 0.925 -18.295 1.00 0.00 N ATOM 464 CA ASN C 37 14.280 -0.105 -17.324 1.00 0.00 C ATOM 465 C ASN C 37 15.489 -0.818 -16.719 1.00 0.00 C ATOM 466 O ASN C 37 15.586 -2.029 -16.747 1.00 0.00 O ATOM 467 CB ASN C 37 13.397 -1.125 -18.047 1.00 0.00 C ATOM 468 CG ASN C 37 14.191 -1.764 -19.188 1.00 0.00 C ATOM 469 OD1 ASN C 37 14.490 -2.941 -19.151 1.00 0.00 O ATOM 470 ND2 ASN C 37 14.545 -1.031 -20.208 1.00 0.00 N ATOM 0 H ASN C 37 15.576 0.672 -18.831 1.00 0.00 H new ATOM 0 HA ASN C 37 13.707 0.376 -16.531 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.061 -1.892 -17.349 1.00 0.00 H new ATOM 0 HB3 ASN C 37 12.504 -0.637 -18.439 1.00 0.00 H new ATOM 0 HD21 ASN C 37 15.073 -1.446 -20.975 1.00 0.00 H new ATOM 0 HD22 ASN C 37 14.293 -0.043 -20.238 1.00 0.00 H new ATOM 477 N THR C 38 16.415 -0.078 -16.173 1.00 0.00 N ATOM 478 CA THR C 38 17.616 -0.718 -15.568 1.00 0.00 C ATOM 479 C THR C 38 17.543 -0.612 -14.044 1.00 0.00 C ATOM 480 O THR C 38 18.054 -1.452 -13.329 1.00 0.00 O ATOM 481 CB THR C 38 18.880 -0.011 -16.067 1.00 0.00 C ATOM 482 OG1 THR C 38 19.914 -0.163 -15.106 1.00 0.00 O ATOM 483 CG2 THR C 38 18.587 1.475 -16.275 1.00 0.00 C ATOM 0 H THR C 38 16.391 0.940 -16.120 1.00 0.00 H new ATOM 0 HA THR C 38 17.648 -1.768 -15.857 1.00 0.00 H new ATOM 0 HB THR C 38 19.195 -0.451 -17.013 1.00 0.00 H new ATOM 0 HG1 THR C 38 20.724 0.287 -15.424 1.00 0.00 H new ATOM 0 HG21 THR C 38 19.487 1.977 -16.630 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.793 1.589 -17.013 1.00 0.00 H new ATOM 0 HG23 THR C 38 18.272 1.919 -15.331 1.00 0.00 H new ATOM 491 N GLU C 39 16.915 0.414 -13.538 1.00 0.00 N ATOM 492 CA GLU C 39 16.812 0.567 -12.058 1.00 0.00 C ATOM 493 C GLU C 39 16.332 -0.746 -11.443 1.00 0.00 C ATOM 494 O GLU C 39 16.949 -1.287 -10.548 1.00 0.00 O ATOM 495 CB GLU C 39 15.822 1.684 -11.724 1.00 0.00 C ATOM 496 CG GLU C 39 16.537 2.776 -10.925 1.00 0.00 C ATOM 497 CD GLU C 39 16.522 2.414 -9.438 1.00 0.00 C ATOM 498 OE1 GLU C 39 15.482 2.568 -8.821 1.00 0.00 O ATOM 499 OE2 GLU C 39 17.553 1.987 -8.943 1.00 0.00 O ATOM 0 H GLU C 39 16.469 1.152 -14.084 1.00 0.00 H new ATOM 0 HA GLU C 39 17.791 0.821 -11.651 1.00 0.00 H new ATOM 0 HB2 GLU C 39 15.406 2.102 -12.641 1.00 0.00 H new ATOM 0 HB3 GLU C 39 14.987 1.285 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU C 39 17.564 2.883 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU C 39 16.046 3.736 -11.081 1.00 0.00 H new ATOM 506 N GLY C 40 15.235 -1.262 -11.917 1.00 0.00 N ATOM 507 CA GLY C 40 14.712 -2.541 -11.362 1.00 0.00 C ATOM 508 C GLY C 40 13.266 -2.356 -10.902 1.00 0.00 C ATOM 509 O GLY C 40 12.352 -2.948 -11.441 1.00 0.00 O ATOM 0 H GLY C 40 14.676 -0.853 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY C 40 14.765 -3.324 -12.118 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.331 -2.864 -10.525 1.00 0.00 H new ATOM 513 N ASP C 41 13.053 -1.540 -9.911 1.00 0.00 N ATOM 514 CA ASP C 41 11.665 -1.316 -9.414 1.00 0.00 C ATOM 515 C ASP C 41 11.278 0.152 -9.601 1.00 0.00 C ATOM 516 O ASP C 41 10.322 0.628 -9.021 1.00 0.00 O ATOM 517 CB ASP C 41 11.594 -1.673 -7.929 1.00 0.00 C ATOM 518 CG ASP C 41 12.092 -3.106 -7.724 1.00 0.00 C ATOM 519 OD1 ASP C 41 12.159 -3.835 -8.701 1.00 0.00 O ATOM 520 OD2 ASP C 41 12.398 -3.449 -6.594 1.00 0.00 O ATOM 0 H ASP C 41 13.779 -1.017 -9.422 1.00 0.00 H new ATOM 0 HA ASP C 41 10.976 -1.945 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP C 41 12.201 -0.979 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.569 -1.578 -7.570 1.00 0.00 H new ATOM 525 N TRP C 42 12.009 0.875 -10.403 1.00 0.00 N ATOM 526 CA TRP C 42 11.671 2.310 -10.617 1.00 0.00 C ATOM 527 C TRP C 42 12.305 2.800 -11.919 1.00 0.00 C ATOM 528 O TRP C 42 13.506 2.749 -12.094 1.00 0.00 O ATOM 529 CB TRP C 42 12.205 3.139 -9.446 1.00 0.00 C ATOM 530 CG TRP C 42 11.315 2.914 -8.223 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.623 2.124 -7.180 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.120 3.468 -8.037 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.562 2.236 -6.379 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.579 3.053 -6.836 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.420 4.340 -8.845 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.338 3.510 -6.445 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.178 4.796 -8.454 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.637 4.381 -7.254 1.00 0.00 C ATOM 0 H TRP C 42 12.822 0.536 -10.917 1.00 0.00 H new ATOM 0 HA TRP C 42 10.588 2.421 -10.679 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.232 2.852 -9.221 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.220 4.196 -9.710 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.517 1.538 -7.027 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.494 1.744 -5.488 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.844 4.666 -9.783 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.915 3.186 -5.506 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.629 5.478 -9.087 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.665 4.738 -6.948 1.00 0.00 H new ATOM 549 N TRP C 43 11.505 3.274 -12.834 1.00 0.00 N ATOM 550 CA TRP C 43 12.060 3.767 -14.124 1.00 0.00 C ATOM 551 C TRP C 43 11.662 5.230 -14.325 1.00 0.00 C ATOM 552 O TRP C 43 10.768 5.737 -13.674 1.00 0.00 O ATOM 553 CB TRP C 43 11.503 2.927 -15.276 1.00 0.00 C ATOM 554 CG TRP C 43 11.707 1.440 -14.974 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.758 0.925 -14.311 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.877 0.466 -15.338 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.509 -0.386 -14.301 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.358 -0.760 -14.917 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.686 0.538 -16.030 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.649 -1.911 -15.192 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.975 -0.613 -16.303 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.457 -1.838 -15.884 1.00 0.00 C ATOM 0 H TRP C 43 10.491 3.341 -12.743 1.00 0.00 H new ATOM 0 HA TRP C 43 13.147 3.684 -14.105 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.443 3.138 -15.414 1.00 0.00 H new ATOM 0 HB3 TRP C 43 12.004 3.191 -16.207 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.603 1.448 -13.887 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.138 -1.059 -13.862 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.310 1.496 -16.358 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.027 -2.869 -14.866 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 8.042 -0.556 -16.844 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.901 -2.739 -16.098 1.00 0.00 H new ATOM 573 N LEU C 44 12.318 5.913 -15.221 1.00 0.00 N ATOM 574 CA LEU C 44 11.979 7.343 -15.466 1.00 0.00 C ATOM 575 C LEU C 44 10.998 7.435 -16.634 1.00 0.00 C ATOM 576 O LEU C 44 11.248 6.918 -17.706 1.00 0.00 O ATOM 577 CB LEU C 44 13.254 8.117 -15.810 1.00 0.00 C ATOM 578 CG LEU C 44 12.935 9.609 -15.915 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.234 10.412 -15.862 1.00 0.00 C ATOM 580 CD2 LEU C 44 12.219 9.887 -17.240 1.00 0.00 C ATOM 0 H LEU C 44 13.075 5.542 -15.795 1.00 0.00 H new ATOM 0 HA LEU C 44 11.525 7.770 -14.572 1.00 0.00 H new ATOM 0 HB2 LEU C 44 14.011 7.950 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.668 7.756 -16.752 1.00 0.00 H new ATOM 0 HG LEU C 44 12.291 9.901 -15.085 1.00 0.00 H new ATOM 0 HD11 LEU C 44 14.008 11.476 -15.937 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.745 10.215 -14.920 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.877 10.119 -16.692 1.00 0.00 H new ATOM 0 HD21 LEU C 44 11.992 10.950 -17.315 1.00 0.00 H new ATOM 0 HD22 LEU C 44 12.862 9.594 -18.070 1.00 0.00 H new ATOM 0 HD23 LEU C 44 11.292 9.314 -17.280 1.00 0.00 H new ATOM 592 N ALA C 45 9.885 8.087 -16.441 1.00 0.00 N ATOM 593 CA ALA C 45 8.899 8.205 -17.550 1.00 0.00 C ATOM 594 C ALA C 45 8.638 9.680 -17.855 1.00 0.00 C ATOM 595 O ALA C 45 8.669 10.521 -16.979 1.00 0.00 O ATOM 596 CB ALA C 45 7.588 7.530 -17.141 1.00 0.00 C ATOM 0 H ALA C 45 9.617 8.541 -15.568 1.00 0.00 H new ATOM 0 HA ALA C 45 9.299 7.718 -18.440 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.866 7.616 -17.953 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.772 6.477 -16.929 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.191 8.016 -16.249 1.00 0.00 H new ATOM 602 N HIS C 46 8.384 10.001 -19.095 1.00 0.00 N ATOM 603 CA HIS C 46 8.121 11.420 -19.462 1.00 0.00 C ATOM 604 C HIS C 46 6.741 11.523 -20.116 1.00 0.00 C ATOM 605 O HIS C 46 6.416 10.783 -21.024 1.00 0.00 O ATOM 606 CB HIS C 46 9.193 11.900 -20.444 1.00 0.00 C ATOM 607 CG HIS C 46 8.750 13.214 -21.090 1.00 0.00 C ATOM 608 ND1 HIS C 46 8.752 14.346 -20.520 1.00 0.00 N ATOM 609 CD2 HIS C 46 8.276 13.459 -22.367 1.00 0.00 C ATOM 610 CE1 HIS C 46 8.328 15.254 -21.316 1.00 0.00 C ATOM 611 NE2 HIS C 46 8.008 14.767 -22.505 1.00 0.00 N ATOM 0 H HIS C 46 8.347 9.339 -19.870 1.00 0.00 H new ATOM 0 HA HIS C 46 8.148 12.042 -18.568 1.00 0.00 H new ATOM 0 HB2 HIS C 46 10.140 12.041 -19.923 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.361 11.145 -21.212 1.00 0.00 H new ATOM 0 HD1 HIS C 46 9.051 14.511 -19.559 1.00 0.00 H new ATOM 0 HD2 HIS C 46 8.142 12.712 -23.135 1.00 0.00 H new ATOM 0 HE1 HIS C 46 8.241 16.297 -21.049 1.00 0.00 H new ATOM 619 N SER C 47 5.926 12.435 -19.663 1.00 0.00 N ATOM 620 CA SER C 47 4.569 12.584 -20.260 1.00 0.00 C ATOM 621 C SER C 47 4.643 13.520 -21.467 1.00 0.00 C ATOM 622 O SER C 47 5.281 14.553 -21.427 1.00 0.00 O ATOM 623 CB SER C 47 3.613 13.170 -19.219 1.00 0.00 C ATOM 624 OG SER C 47 2.738 12.153 -18.755 1.00 0.00 O ATOM 0 H SER C 47 6.141 13.083 -18.905 1.00 0.00 H new ATOM 0 HA SER C 47 4.204 11.607 -20.578 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.178 13.587 -18.385 1.00 0.00 H new ATOM 0 HB3 SER C 47 3.039 13.987 -19.656 1.00 0.00 H new ATOM 0 HG SER C 47 2.127 12.527 -18.087 1.00 0.00 H new ATOM 630 N LEU C 48 3.995 13.167 -22.543 1.00 0.00 N ATOM 631 CA LEU C 48 4.028 14.037 -23.751 1.00 0.00 C ATOM 632 C LEU C 48 2.873 15.037 -23.686 1.00 0.00 C ATOM 633 O LEU C 48 2.434 15.562 -24.690 1.00 0.00 O ATOM 634 CB LEU C 48 3.888 13.172 -25.006 1.00 0.00 C ATOM 635 CG LEU C 48 4.947 12.067 -24.984 1.00 0.00 C ATOM 636 CD1 LEU C 48 4.611 11.015 -26.042 1.00 0.00 C ATOM 637 CD2 LEU C 48 6.321 12.670 -25.283 1.00 0.00 C ATOM 0 H LEU C 48 3.444 12.314 -22.637 1.00 0.00 H new ATOM 0 HA LEU C 48 4.974 14.577 -23.788 1.00 0.00 H new ATOM 0 HB2 LEU C 48 2.891 12.734 -25.050 1.00 0.00 H new ATOM 0 HB3 LEU C 48 4.006 13.786 -25.899 1.00 0.00 H new ATOM 0 HG LEU C 48 4.962 11.599 -23.999 1.00 0.00 H new ATOM 0 HD11 LEU C 48 5.366 10.229 -26.026 1.00 0.00 H new ATOM 0 HD12 LEU C 48 3.633 10.584 -25.829 1.00 0.00 H new ATOM 0 HD13 LEU C 48 4.595 11.482 -27.027 1.00 0.00 H new ATOM 0 HD21 LEU C 48 7.075 11.883 -25.267 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.306 13.139 -26.267 1.00 0.00 H new ATOM 0 HD23 LEU C 48 6.562 13.418 -24.528 1.00 0.00 H new ATOM 649 N THR C 49 2.378 15.306 -22.509 1.00 0.00 N ATOM 650 CA THR C 49 1.251 16.272 -22.373 1.00 0.00 C ATOM 651 C THR C 49 1.812 17.666 -22.083 1.00 0.00 C ATOM 652 O THR C 49 1.883 18.511 -22.953 1.00 0.00 O ATOM 653 CB THR C 49 0.343 15.836 -21.222 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.238 14.577 -21.531 1.00 0.00 O ATOM 655 CG2 THR C 49 -0.763 16.874 -21.018 1.00 0.00 C ATOM 0 H THR C 49 2.706 14.898 -21.634 1.00 0.00 H new ATOM 0 HA THR C 49 0.676 16.296 -23.298 1.00 0.00 H new ATOM 0 HB THR C 49 0.931 15.752 -20.308 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.819 14.295 -20.794 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.409 16.561 -20.197 1.00 0.00 H new ATOM 0 HG22 THR C 49 -0.316 17.840 -20.781 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.353 16.962 -21.931 1.00 0.00 H new ATOM 663 N THR C 50 2.207 17.913 -20.863 1.00 0.00 N ATOM 664 CA THR C 50 2.762 19.252 -20.518 1.00 0.00 C ATOM 665 C THR C 50 4.275 19.252 -20.751 1.00 0.00 C ATOM 666 O THR C 50 4.890 20.291 -20.895 1.00 0.00 O ATOM 667 CB THR C 50 2.471 19.562 -19.047 1.00 0.00 C ATOM 668 OG1 THR C 50 3.262 20.666 -18.632 1.00 0.00 O ATOM 669 CG2 THR C 50 2.806 18.340 -18.190 1.00 0.00 C ATOM 0 H THR C 50 2.169 17.246 -20.092 1.00 0.00 H new ATOM 0 HA THR C 50 2.298 20.011 -21.147 1.00 0.00 H new ATOM 0 HB THR C 50 1.415 19.807 -18.929 1.00 0.00 H new ATOM 0 HG1 THR C 50 3.076 20.867 -17.691 1.00 0.00 H new ATOM 0 HG21 THR C 50 2.599 18.562 -17.143 1.00 0.00 H new ATOM 0 HG22 THR C 50 2.197 17.494 -18.509 1.00 0.00 H new ATOM 0 HG23 THR C 50 3.861 18.092 -18.306 1.00 0.00 H new ATOM 677 N GLY C 51 4.880 18.097 -20.788 1.00 0.00 N ATOM 678 CA GLY C 51 6.352 18.032 -21.012 1.00 0.00 C ATOM 679 C GLY C 51 7.076 18.107 -19.666 1.00 0.00 C ATOM 680 O GLY C 51 7.668 19.112 -19.324 1.00 0.00 O ATOM 0 H GLY C 51 4.419 17.195 -20.673 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.612 17.107 -21.526 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.670 18.853 -21.654 1.00 0.00 H new ATOM 684 N GLN C 52 7.036 17.051 -18.900 1.00 0.00 N ATOM 685 CA GLN C 52 7.723 17.064 -17.577 1.00 0.00 C ATOM 686 C GLN C 52 8.225 15.655 -17.249 1.00 0.00 C ATOM 687 O GLN C 52 7.770 14.678 -17.810 1.00 0.00 O ATOM 688 CB GLN C 52 6.739 17.517 -16.495 1.00 0.00 C ATOM 689 CG GLN C 52 6.552 19.034 -16.577 1.00 0.00 C ATOM 690 CD GLN C 52 5.937 19.541 -15.270 1.00 0.00 C ATOM 691 OE1 GLN C 52 6.567 20.273 -14.533 1.00 0.00 O ATOM 692 NE2 GLN C 52 4.724 19.180 -14.952 1.00 0.00 N ATOM 0 H GLN C 52 6.558 16.181 -19.133 1.00 0.00 H new ATOM 0 HA GLN C 52 8.567 17.753 -17.613 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.781 17.014 -16.626 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.112 17.239 -15.509 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.511 19.521 -16.754 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.906 19.287 -17.418 1.00 0.00 H new ATOM 0 HE21 GLN C 52 4.196 18.565 -15.571 1.00 0.00 H new ATOM 0 HE22 GLN C 52 4.304 19.512 -14.084 1.00 0.00 H new ATOM 701 N THR C 53 9.161 15.545 -16.347 1.00 0.00 N ATOM 702 CA THR C 53 9.691 14.200 -15.984 1.00 0.00 C ATOM 703 C THR C 53 8.956 13.680 -14.747 1.00 0.00 C ATOM 704 O THR C 53 8.414 14.438 -13.968 1.00 0.00 O ATOM 705 CB THR C 53 11.192 14.304 -15.688 1.00 0.00 C ATOM 706 OG1 THR C 53 11.907 14.392 -16.912 1.00 0.00 O ATOM 707 CG2 THR C 53 11.659 13.066 -14.913 1.00 0.00 C ATOM 0 H THR C 53 9.582 16.327 -15.846 1.00 0.00 H new ATOM 0 HA THR C 53 9.535 13.510 -16.813 1.00 0.00 H new ATOM 0 HB THR C 53 11.379 15.194 -15.087 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.867 14.460 -16.726 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.726 13.147 -14.706 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.112 12.997 -13.973 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.472 12.172 -15.508 1.00 0.00 H new ATOM 715 N GLY C 54 8.940 12.388 -14.559 1.00 0.00 N ATOM 716 CA GLY C 54 8.243 11.816 -13.376 1.00 0.00 C ATOM 717 C GLY C 54 8.648 10.351 -13.202 1.00 0.00 C ATOM 718 O GLY C 54 8.302 9.501 -14.000 1.00 0.00 O ATOM 0 H GLY C 54 9.380 11.705 -15.175 1.00 0.00 H new ATOM 0 HA2 GLY C 54 8.498 12.383 -12.481 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.163 11.893 -13.505 1.00 0.00 H new ATOM 722 N TYR C 55 9.389 10.050 -12.171 1.00 0.00 N ATOM 723 CA TYR C 55 9.815 8.645 -11.945 1.00 0.00 C ATOM 724 C TYR C 55 8.586 7.800 -11.607 1.00 0.00 C ATOM 725 O TYR C 55 7.972 7.966 -10.573 1.00 0.00 O ATOM 726 CB TYR C 55 10.806 8.608 -10.780 1.00 0.00 C ATOM 727 CG TYR C 55 11.755 9.804 -10.888 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.240 10.203 -12.118 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.138 10.502 -9.761 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.095 11.281 -12.219 1.00 0.00 C ATOM 731 CE2 TYR C 55 12.993 11.581 -9.862 1.00 0.00 C ATOM 732 CZ TYR C 55 13.478 11.979 -11.092 1.00 0.00 C ATOM 733 OH TYR C 55 14.330 13.060 -11.193 1.00 0.00 O ATOM 0 H TYR C 55 9.717 10.720 -11.475 1.00 0.00 H new ATOM 0 HA TYR C 55 10.292 8.247 -12.840 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.271 8.638 -9.831 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.372 7.677 -10.798 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.947 9.666 -13.008 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.766 10.202 -8.793 1.00 0.00 H new ATOM 0 HE1 TYR C 55 13.467 11.581 -13.187 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.285 12.118 -8.972 1.00 0.00 H new ATOM 0 HH TYR C 55 14.492 13.433 -10.301 1.00 0.00 H new ATOM 743 N ILE C 56 8.218 6.894 -12.472 1.00 0.00 N ATOM 744 CA ILE C 56 7.026 6.046 -12.193 1.00 0.00 C ATOM 745 C ILE C 56 7.475 4.640 -11.774 1.00 0.00 C ATOM 746 O ILE C 56 8.455 4.130 -12.279 1.00 0.00 O ATOM 747 CB ILE C 56 6.164 5.950 -13.454 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.974 5.304 -14.580 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.734 7.354 -13.881 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.105 4.275 -15.306 1.00 0.00 C ATOM 0 H ILE C 56 8.690 6.705 -13.356 1.00 0.00 H new ATOM 0 HA ILE C 56 6.447 6.494 -11.386 1.00 0.00 H new ATOM 0 HB ILE C 56 5.283 5.343 -13.246 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.316 6.066 -15.280 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.863 4.823 -14.173 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.120 7.289 -14.779 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.158 7.817 -13.080 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.617 7.958 -14.089 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.681 3.814 -16.109 1.00 0.00 H new ATOM 0 HD12 ILE C 56 5.785 3.507 -14.602 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.229 4.770 -15.726 1.00 0.00 H new ATOM 762 N PRO C 57 6.739 4.056 -10.858 1.00 0.00 N ATOM 763 CA PRO C 57 7.043 2.706 -10.354 1.00 0.00 C ATOM 764 C PRO C 57 6.943 1.687 -11.494 1.00 0.00 C ATOM 765 O PRO C 57 6.349 1.949 -12.521 1.00 0.00 O ATOM 766 CB PRO C 57 5.974 2.433 -9.287 1.00 0.00 C ATOM 767 CG PRO C 57 5.030 3.663 -9.241 1.00 0.00 C ATOM 768 CD PRO C 57 5.557 4.695 -10.250 1.00 0.00 C ATOM 0 HA PRO C 57 8.051 2.629 -9.947 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.414 1.530 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.437 2.270 -8.314 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.010 3.371 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.004 4.088 -8.238 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.805 4.933 -11.002 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.822 5.630 -9.757 1.00 0.00 H new ATOM 776 N SER C 58 7.519 0.530 -11.321 1.00 0.00 N ATOM 777 CA SER C 58 7.455 -0.502 -12.396 1.00 0.00 C ATOM 778 C SER C 58 6.218 -1.382 -12.196 1.00 0.00 C ATOM 779 O SER C 58 5.551 -1.754 -13.141 1.00 0.00 O ATOM 780 CB SER C 58 8.711 -1.373 -12.337 1.00 0.00 C ATOM 781 OG SER C 58 9.216 -1.388 -11.009 1.00 0.00 O ATOM 0 H SER C 58 8.031 0.254 -10.483 1.00 0.00 H new ATOM 0 HA SER C 58 7.394 -0.009 -13.366 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.478 -2.388 -12.660 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.467 -0.986 -13.020 1.00 0.00 H new ATOM 0 HG SER C 58 8.937 -2.215 -10.562 1.00 0.00 H new ATOM 787 N ASN C 59 5.906 -1.717 -10.975 1.00 0.00 N ATOM 788 CA ASN C 59 4.714 -2.572 -10.717 1.00 0.00 C ATOM 789 C ASN C 59 3.433 -1.760 -10.926 1.00 0.00 C ATOM 790 O ASN C 59 2.338 -2.270 -10.790 1.00 0.00 O ATOM 791 CB ASN C 59 4.759 -3.095 -9.277 1.00 0.00 C ATOM 792 CG ASN C 59 5.282 -2.003 -8.338 1.00 0.00 C ATOM 793 OD1 ASN C 59 6.210 -2.228 -7.588 1.00 0.00 O ATOM 794 ND2 ASN C 59 4.723 -0.824 -8.347 1.00 0.00 N ATOM 0 H ASN C 59 6.426 -1.435 -10.144 1.00 0.00 H new ATOM 0 HA ASN C 59 4.722 -3.413 -11.411 1.00 0.00 H new ATOM 0 HB2 ASN C 59 3.763 -3.409 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN C 59 5.402 -3.973 -9.220 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.066 -0.092 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN C 59 3.943 -0.634 -8.977 1.00 0.00 H new ATOM 801 N TYR C 60 3.556 -0.503 -11.253 1.00 0.00 N ATOM 802 CA TYR C 60 2.338 0.330 -11.467 1.00 0.00 C ATOM 803 C TYR C 60 2.202 0.673 -12.954 1.00 0.00 C ATOM 804 O TYR C 60 1.360 1.457 -13.343 1.00 0.00 O ATOM 805 CB TYR C 60 2.456 1.622 -10.655 1.00 0.00 C ATOM 806 CG TYR C 60 1.860 1.405 -9.261 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.778 0.137 -8.724 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.401 2.476 -8.521 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.246 -0.059 -7.465 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.868 2.280 -7.263 1.00 0.00 C ATOM 811 CZ TYR C 60 0.786 1.011 -6.725 1.00 0.00 C ATOM 812 OH TYR C 60 0.251 0.816 -5.468 1.00 0.00 O ATOM 0 H TYR C 60 4.444 -0.018 -11.381 1.00 0.00 H new ATOM 0 HA TYR C 60 1.458 -0.226 -11.143 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.502 1.918 -10.573 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.934 2.433 -11.163 1.00 0.00 H new ATOM 0 HD1 TYR C 60 2.133 -0.710 -9.293 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.459 3.474 -8.929 1.00 0.00 H new ATOM 0 HE1 TYR C 60 1.189 -1.057 -7.056 1.00 0.00 H new ATOM 0 HE2 TYR C 60 0.512 3.126 -6.695 1.00 0.00 H new ATOM 0 HH TYR C 60 -0.021 1.679 -5.091 1.00 0.00 H new ATOM 822 N VAL C 61 3.023 0.091 -13.787 1.00 0.00 N ATOM 823 CA VAL C 61 2.937 0.385 -15.246 1.00 0.00 C ATOM 824 C VAL C 61 2.990 -0.923 -16.032 1.00 0.00 C ATOM 825 O VAL C 61 3.101 -1.996 -15.472 1.00 0.00 O ATOM 826 CB VAL C 61 4.112 1.280 -15.657 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.399 0.453 -15.712 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.849 1.909 -17.025 1.00 0.00 C ATOM 0 H VAL C 61 3.748 -0.574 -13.520 1.00 0.00 H new ATOM 0 HA VAL C 61 1.999 0.898 -15.460 1.00 0.00 H new ATOM 0 HB VAL C 61 4.221 2.074 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL C 61 6.231 1.094 -16.005 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.599 0.025 -14.730 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.285 -0.349 -16.441 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.692 2.542 -17.303 1.00 0.00 H new ATOM 0 HG22 VAL C 61 3.725 1.122 -17.769 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.942 2.512 -16.980 1.00 0.00 H new ATOM 838 N ALA C 62 2.909 -0.838 -17.326 1.00 0.00 N ATOM 839 CA ALA C 62 2.953 -2.072 -18.160 1.00 0.00 C ATOM 840 C ALA C 62 2.843 -1.695 -19.641 1.00 0.00 C ATOM 841 O ALA C 62 2.328 -0.646 -19.975 1.00 0.00 O ATOM 842 CB ALA C 62 1.786 -2.985 -17.781 1.00 0.00 C ATOM 0 H ALA C 62 2.814 0.034 -17.847 1.00 0.00 H new ATOM 0 HA ALA C 62 3.895 -2.592 -17.987 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.818 -3.888 -18.391 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.863 -3.255 -16.728 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.845 -2.463 -17.954 1.00 0.00 H new ATOM 848 N PRO C 63 3.333 -2.569 -20.486 1.00 0.00 N ATOM 849 CA PRO C 63 3.303 -2.354 -21.943 1.00 0.00 C ATOM 850 C PRO C 63 1.855 -2.244 -22.429 1.00 0.00 C ATOM 851 O PRO C 63 1.009 -3.040 -22.071 1.00 0.00 O ATOM 852 CB PRO C 63 3.979 -3.595 -22.539 1.00 0.00 C ATOM 853 CG PRO C 63 4.358 -4.534 -21.364 1.00 0.00 C ATOM 854 CD PRO C 63 3.950 -3.837 -20.056 1.00 0.00 C ATOM 0 HA PRO C 63 3.808 -1.434 -22.238 1.00 0.00 H new ATOM 0 HB2 PRO C 63 3.307 -4.101 -23.232 1.00 0.00 H new ATOM 0 HB3 PRO C 63 4.867 -3.313 -23.105 1.00 0.00 H new ATOM 0 HG2 PRO C 63 3.848 -5.493 -21.461 1.00 0.00 H new ATOM 0 HG3 PRO C 63 5.428 -4.740 -21.369 1.00 0.00 H new ATOM 0 HD2 PRO C 63 3.249 -4.445 -19.485 1.00 0.00 H new ATOM 0 HD3 PRO C 63 4.814 -3.660 -19.415 1.00 0.00 H new ATOM 862 N SER C 64 1.562 -1.266 -23.241 1.00 0.00 N ATOM 863 CA SER C 64 0.169 -1.110 -23.746 1.00 0.00 C ATOM 864 C SER C 64 0.204 -0.641 -25.202 1.00 0.00 C ATOM 865 O SER C 64 -0.805 -0.781 -25.873 1.00 0.00 O ATOM 866 CB SER C 64 -0.571 -0.079 -22.895 1.00 0.00 C ATOM 867 OG SER C 64 -1.694 0.409 -23.613 1.00 0.00 O ATOM 868 OXT SER C 64 1.239 -0.148 -25.619 1.00 0.00 O ATOM 0 H SER C 64 2.226 -0.569 -23.576 1.00 0.00 H new ATOM 0 HA SER C 64 -0.348 -2.068 -23.685 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.894 -0.530 -21.957 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.096 0.744 -22.640 1.00 0.00 H new ATOM 0 HG SER C 64 -2.454 0.509 -23.003 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 12.914 3.884 -1.140 1.00 0.00 N ATOM 876 CA ARG R 71 12.084 3.762 -2.371 1.00 0.00 C ATOM 877 C ARG R 71 11.204 2.514 -2.272 1.00 0.00 C ATOM 878 O ARG R 71 11.037 1.784 -3.229 1.00 0.00 O ATOM 879 CB ARG R 71 12.997 3.646 -3.594 1.00 0.00 C ATOM 880 CG ARG R 71 12.366 4.390 -4.775 1.00 0.00 C ATOM 881 CD ARG R 71 12.560 5.896 -4.591 1.00 0.00 C ATOM 882 NE ARG R 71 11.230 6.569 -4.589 1.00 0.00 N ATOM 883 CZ ARG R 71 10.599 6.782 -5.713 1.00 0.00 C ATOM 884 NH1 ARG R 71 11.131 6.409 -6.847 1.00 0.00 N ATOM 885 NH2 ARG R 71 9.434 7.370 -5.703 1.00 0.00 N ATOM 0 HA ARG R 71 11.453 4.645 -2.471 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.978 4.064 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.148 2.597 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG R 71 12.823 4.065 -5.710 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.304 4.155 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG R 71 13.082 6.095 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.181 6.295 -5.393 1.00 0.00 H new ATOM 0 HE ARG R 71 10.811 6.864 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG R 71 12.042 5.950 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG R 71 10.635 6.577 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG R 71 9.018 7.662 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG R 71 8.940 7.537 -6.579 1.00 0.00 H new ATOM 901 N ALA R 72 10.643 2.262 -1.122 1.00 0.00 N ATOM 902 CA ALA R 72 9.777 1.061 -0.963 1.00 0.00 C ATOM 903 C ALA R 72 8.739 1.032 -2.087 1.00 0.00 C ATOM 904 O ALA R 72 8.070 2.011 -2.353 1.00 0.00 O ATOM 905 CB ALA R 72 9.061 1.123 0.388 1.00 0.00 C ATOM 0 H ALA R 72 10.747 2.836 -0.285 1.00 0.00 H new ATOM 0 HA ALA R 72 10.391 0.161 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.427 0.244 0.504 1.00 0.00 H new ATOM 0 HB2 ALA R 72 9.799 1.147 1.190 1.00 0.00 H new ATOM 0 HB3 ALA R 72 8.446 2.022 0.433 1.00 0.00 H new ATOM 911 N LEU R 73 8.598 -0.083 -2.750 1.00 0.00 N ATOM 912 CA LEU R 73 7.604 -0.169 -3.855 1.00 0.00 C ATOM 913 C LEU R 73 6.187 -0.054 -3.277 1.00 0.00 C ATOM 914 O LEU R 73 5.900 -0.615 -2.238 1.00 0.00 O ATOM 915 CB LEU R 73 7.751 -1.514 -4.572 1.00 0.00 C ATOM 916 CG LEU R 73 8.891 -1.431 -5.590 1.00 0.00 C ATOM 917 CD1 LEU R 73 9.089 -2.799 -6.244 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.543 -0.398 -6.664 1.00 0.00 C ATOM 0 H LEU R 73 9.128 -0.937 -2.574 1.00 0.00 H new ATOM 0 HA LEU R 73 7.778 0.642 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.953 -2.303 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.819 -1.773 -5.075 1.00 0.00 H new ATOM 0 HG LEU R 73 9.809 -1.133 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.901 -2.741 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU R 73 9.337 -3.535 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU R 73 8.171 -3.097 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.355 -0.339 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.625 -0.695 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.401 0.577 -6.198 1.00 0.00 H new ATOM 930 N PRO R 74 5.341 0.670 -3.969 1.00 0.00 N ATOM 931 CA PRO R 74 3.946 0.873 -3.540 1.00 0.00 C ATOM 932 C PRO R 74 3.174 -0.452 -3.631 1.00 0.00 C ATOM 933 O PRO R 74 2.922 -0.941 -4.714 1.00 0.00 O ATOM 934 CB PRO R 74 3.377 1.893 -4.530 1.00 0.00 C ATOM 935 CG PRO R 74 4.455 2.147 -5.616 1.00 0.00 C ATOM 936 CD PRO R 74 5.708 1.349 -5.224 1.00 0.00 C ATOM 0 HA PRO R 74 3.871 1.219 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.460 1.516 -4.982 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.123 2.822 -4.019 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.093 1.834 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.685 3.210 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.979 0.631 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.567 2.005 -5.083 1.00 0.00 H new ATOM 944 N PRO R 75 2.821 -0.994 -2.491 1.00 0.00 N ATOM 945 CA PRO R 75 2.076 -2.265 -2.428 1.00 0.00 C ATOM 946 C PRO R 75 0.736 -2.133 -3.156 1.00 0.00 C ATOM 947 O PRO R 75 0.019 -1.166 -2.990 1.00 0.00 O ATOM 948 CB PRO R 75 1.856 -2.520 -0.932 1.00 0.00 C ATOM 949 CG PRO R 75 2.493 -1.339 -0.154 1.00 0.00 C ATOM 950 CD PRO R 75 3.126 -0.389 -1.182 1.00 0.00 C ATOM 0 HA PRO R 75 2.614 -3.083 -2.907 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.792 -2.595 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO R 75 2.311 -3.464 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.738 -0.817 0.435 1.00 0.00 H new ATOM 0 HG3 PRO R 75 3.246 -1.703 0.545 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.708 0.615 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO R 75 4.201 -0.300 -1.028 1.00 0.00 H new ATOM 958 N LEU R 76 0.392 -3.102 -3.961 1.00 0.00 N ATOM 959 CA LEU R 76 -0.901 -3.037 -4.700 1.00 0.00 C ATOM 960 C LEU R 76 -2.058 -3.185 -3.707 1.00 0.00 C ATOM 961 O LEU R 76 -1.871 -3.673 -2.610 1.00 0.00 O ATOM 962 CB LEU R 76 -0.958 -4.173 -5.723 1.00 0.00 C ATOM 963 CG LEU R 76 -0.047 -3.842 -6.907 1.00 0.00 C ATOM 964 CD1 LEU R 76 0.625 -5.123 -7.408 1.00 0.00 C ATOM 965 CD2 LEU R 76 -0.878 -3.229 -8.036 1.00 0.00 C ATOM 0 H LEU R 76 0.951 -3.936 -4.139 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.982 -2.080 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -0.645 -5.109 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -1.982 -4.315 -6.068 1.00 0.00 H new ATOM 0 HG LEU R 76 0.716 -3.131 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU R 76 1.274 -4.887 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU R 76 1.218 -5.561 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -0.138 -5.834 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU R 76 -0.229 -2.993 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -1.641 -3.940 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -1.357 -2.317 -7.681 1.00 0.00 H new ATOM 977 N PRO R 77 -3.224 -2.758 -4.123 1.00 0.00 N ATOM 978 CA PRO R 77 -4.432 -2.832 -3.283 1.00 0.00 C ATOM 979 C PRO R 77 -4.739 -4.289 -2.924 1.00 0.00 C ATOM 980 O PRO R 77 -4.064 -5.203 -3.356 1.00 0.00 O ATOM 981 CB PRO R 77 -5.551 -2.239 -4.149 1.00 0.00 C ATOM 982 CG PRO R 77 -4.926 -1.821 -5.506 1.00 0.00 C ATOM 983 CD PRO R 77 -3.430 -2.169 -5.459 1.00 0.00 C ATOM 0 HA PRO R 77 -4.317 -2.294 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -6.344 -2.971 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -6.002 -1.379 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -5.414 -2.343 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -5.065 -0.754 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -3.162 -2.872 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -2.813 -1.282 -5.600 1.00 0.00 H new ATOM 991 N ARG R 78 -5.757 -4.513 -2.136 1.00 0.00 N ATOM 992 CA ARG R 78 -6.107 -5.909 -1.750 1.00 0.00 C ATOM 993 C ARG R 78 -4.935 -6.537 -0.991 1.00 0.00 C ATOM 994 O ARG R 78 -4.209 -7.356 -1.520 1.00 0.00 O ATOM 995 CB ARG R 78 -6.399 -6.730 -3.007 1.00 0.00 C ATOM 996 CG ARG R 78 -7.823 -6.443 -3.487 1.00 0.00 C ATOM 997 CD ARG R 78 -8.742 -7.593 -3.072 1.00 0.00 C ATOM 998 NE ARG R 78 -10.046 -7.043 -2.601 1.00 0.00 N ATOM 999 CZ ARG R 78 -11.081 -7.829 -2.472 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -10.979 -9.102 -2.750 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -12.220 -7.342 -2.062 1.00 0.00 N ATOM 0 H ARG R 78 -6.360 -3.790 -1.744 1.00 0.00 H new ATOM 0 HA ARG R 78 -6.990 -5.898 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -5.683 -6.482 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -6.283 -7.793 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -8.180 -5.506 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -7.836 -6.325 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -8.902 -8.266 -3.914 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -8.275 -8.178 -2.280 1.00 0.00 H new ATOM 0 HE ARG R 78 -10.130 -6.051 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -10.089 -9.485 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -11.789 -9.713 -2.648 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -12.301 -6.349 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -13.030 -7.954 -1.961 1.00 0.00 H new ATOM 1015 N TYR R 79 -4.743 -6.160 0.243 1.00 0.00 N ATOM 1016 CA TYR R 79 -3.618 -6.736 1.032 1.00 0.00 C ATOM 1017 C TYR R 79 -3.783 -8.256 1.127 1.00 0.00 C ATOM 1018 O TYR R 79 -4.712 -8.770 0.527 1.00 0.00 O ATOM 1019 CB TYR R 79 -3.609 -6.122 2.438 1.00 0.00 C ATOM 1020 CG TYR R 79 -4.686 -6.782 3.306 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -6.024 -6.642 2.996 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -4.331 -7.528 4.412 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -6.990 -7.238 3.780 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -5.298 -8.124 5.196 1.00 0.00 C ATOM 1025 CZ TYR R 79 -6.635 -7.984 4.886 1.00 0.00 C ATOM 1026 OH TYR R 79 -7.603 -8.580 5.669 1.00 0.00 O ATOM 1027 OXT TYR R 79 -2.977 -8.878 1.799 1.00 0.00 O ATOM 0 H TYR R 79 -5.317 -5.478 0.739 1.00 0.00 H new ATOM 0 HA TYR R 79 -2.674 -6.510 0.537 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -2.629 -6.256 2.896 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -3.788 -5.049 2.376 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -6.317 -6.062 2.133 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -3.288 -7.646 4.666 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -8.033 -7.120 3.526 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -5.006 -8.704 6.059 1.00 0.00 H new ATOM 0 HH TYR R 79 -7.175 -9.067 6.404 1.00 0.00 H new TER 1037 TYR R 79