USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 368 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.8) USER MOD Single : A 18 THR OG1 : rot 120:sc= -4.2! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.77! C(o=-3.1!,f=-1.8!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 60 GLN : amide:sc= -0.665 K(o=-0.66,f=-2.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -4.989 35.064 -5.359 1.00 0.00 N ATOM 33 CA GLU A 3 -3.764 35.914 -5.354 1.00 0.00 C ATOM 34 C GLU A 3 -2.525 35.025 -5.352 1.00 0.00 C ATOM 35 O GLU A 3 -1.589 35.246 -6.092 1.00 0.00 O ATOM 36 CB GLU A 3 -3.763 36.800 -4.105 1.00 0.00 C ATOM 37 CG GLU A 3 -3.080 38.131 -4.422 1.00 0.00 C ATOM 38 CD GLU A 3 -2.457 38.702 -3.147 1.00 0.00 C ATOM 39 OE1 GLU A 3 -3.152 39.409 -2.436 1.00 0.00 O ATOM 40 OE2 GLU A 3 -1.294 38.423 -2.902 1.00 0.00 O ATOM 0 HA GLU A 3 -3.755 36.543 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.785 36.975 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.242 36.297 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.312 37.986 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.804 38.835 -4.832 1.00 0.00 H new ATOM 47 N CYS A 4 -2.511 34.021 -4.530 1.00 0.00 N ATOM 48 CA CYS A 4 -1.324 33.123 -4.489 1.00 0.00 C ATOM 49 C CYS A 4 -1.693 31.745 -5.040 1.00 0.00 C ATOM 50 O CYS A 4 -2.429 30.996 -4.427 1.00 0.00 O ATOM 51 CB CYS A 4 -0.823 32.984 -3.049 1.00 0.00 C ATOM 52 SG CYS A 4 -0.607 34.629 -2.324 1.00 0.00 S ATOM 0 H CYS A 4 -3.264 33.781 -3.886 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.534 33.555 -5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.534 32.406 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.122 32.440 -3.032 1.00 0.00 H new ATOM 57 N ASP A 5 -1.184 31.402 -6.193 1.00 0.00 N ATOM 58 CA ASP A 5 -1.499 30.071 -6.782 1.00 0.00 C ATOM 59 C ASP A 5 -0.295 29.145 -6.601 1.00 0.00 C ATOM 60 O ASP A 5 -0.423 27.935 -6.608 1.00 0.00 O ATOM 61 CB ASP A 5 -1.807 30.229 -8.272 1.00 0.00 C ATOM 62 CG ASP A 5 -2.496 28.964 -8.786 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.342 28.445 -8.077 1.00 0.00 O ATOM 64 OD2 ASP A 5 -2.165 28.536 -9.879 1.00 0.00 O ATOM 0 H ASP A 5 -0.563 31.987 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.368 29.644 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.448 31.096 -8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.886 30.406 -8.828 1.00 0.00 H new ATOM 69 N CYS A 6 0.875 29.700 -6.431 1.00 0.00 N ATOM 70 CA CYS A 6 2.082 28.848 -6.241 1.00 0.00 C ATOM 71 C CYS A 6 2.532 28.935 -4.780 1.00 0.00 C ATOM 72 O CYS A 6 2.105 29.800 -4.041 1.00 0.00 O ATOM 73 CB CYS A 6 3.205 29.319 -7.181 1.00 0.00 C ATOM 74 SG CYS A 6 4.079 30.746 -6.475 1.00 0.00 S ATOM 0 H CYS A 6 1.046 30.705 -6.416 1.00 0.00 H new ATOM 0 HA CYS A 6 1.845 27.811 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.908 28.504 -7.352 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.786 29.587 -8.151 1.00 0.00 H new ATOM 79 N SER A 7 3.389 28.049 -4.356 1.00 0.00 N ATOM 80 CA SER A 7 3.858 28.089 -2.944 1.00 0.00 C ATOM 81 C SER A 7 5.372 28.312 -2.913 1.00 0.00 C ATOM 82 O SER A 7 5.999 28.241 -1.874 1.00 0.00 O ATOM 83 CB SER A 7 3.522 26.763 -2.260 1.00 0.00 C ATOM 84 OG SER A 7 3.078 25.831 -3.238 1.00 0.00 O ATOM 0 H SER A 7 3.784 27.300 -4.925 1.00 0.00 H new ATOM 0 HA SER A 7 3.362 28.905 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.399 26.375 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.748 26.914 -1.507 1.00 0.00 H new ATOM 0 HG SER A 7 2.863 24.979 -2.804 1.00 0.00 H new ATOM 90 N SER A 8 5.967 28.583 -4.043 1.00 0.00 N ATOM 91 CA SER A 8 7.440 28.810 -4.073 1.00 0.00 C ATOM 92 C SER A 8 7.720 30.292 -4.365 1.00 0.00 C ATOM 93 O SER A 8 7.240 30.824 -5.347 1.00 0.00 O ATOM 94 CB SER A 8 8.062 27.950 -5.173 1.00 0.00 C ATOM 95 OG SER A 8 9.131 27.189 -4.627 1.00 0.00 O ATOM 0 H SER A 8 5.497 28.657 -4.945 1.00 0.00 H new ATOM 0 HA SER A 8 7.872 28.539 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.310 27.287 -5.601 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.427 28.582 -5.982 1.00 0.00 H new ATOM 0 HG SER A 8 9.531 26.635 -5.330 1.00 0.00 H new ATOM 101 N PRO A 9 8.487 30.918 -3.504 1.00 0.00 N ATOM 102 CA PRO A 9 8.842 32.341 -3.651 1.00 0.00 C ATOM 103 C PRO A 9 9.951 32.512 -4.693 1.00 0.00 C ATOM 104 O PRO A 9 10.445 33.599 -4.916 1.00 0.00 O ATOM 105 CB PRO A 9 9.340 32.732 -2.257 1.00 0.00 C ATOM 106 CG PRO A 9 9.780 31.420 -1.568 1.00 0.00 C ATOM 107 CD PRO A 9 9.069 30.273 -2.310 1.00 0.00 C ATOM 0 HA PRO A 9 8.009 32.957 -3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.172 33.433 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.552 33.225 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.862 31.301 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.507 31.426 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.768 29.483 -2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.299 29.815 -1.690 1.00 0.00 H new ATOM 115 N GLU A 10 10.344 31.445 -5.334 1.00 0.00 N ATOM 116 CA GLU A 10 11.419 31.544 -6.361 1.00 0.00 C ATOM 117 C GLU A 10 10.804 31.373 -7.752 1.00 0.00 C ATOM 118 O GLU A 10 11.273 31.935 -8.722 1.00 0.00 O ATOM 119 CB GLU A 10 12.456 30.445 -6.123 1.00 0.00 C ATOM 120 CG GLU A 10 13.324 30.810 -4.917 1.00 0.00 C ATOM 121 CD GLU A 10 13.905 32.212 -5.111 1.00 0.00 C ATOM 122 OE1 GLU A 10 14.742 32.370 -5.984 1.00 0.00 O ATOM 123 OE2 GLU A 10 13.504 33.104 -4.381 1.00 0.00 O ATOM 0 H GLU A 10 9.966 30.508 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 10 11.903 32.518 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.957 29.492 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.080 30.322 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.730 30.774 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.129 30.084 -4.802 1.00 0.00 H new ATOM 130 N ASN A 11 9.758 30.601 -7.856 1.00 0.00 N ATOM 131 CA ASN A 11 9.112 30.397 -9.182 1.00 0.00 C ATOM 132 C ASN A 11 8.968 31.753 -9.887 1.00 0.00 C ATOM 133 O ASN A 11 8.428 32.683 -9.321 1.00 0.00 O ATOM 134 CB ASN A 11 7.727 29.778 -8.979 1.00 0.00 C ATOM 135 CG ASN A 11 7.549 28.597 -9.934 1.00 0.00 C ATOM 136 OD1 ASN A 11 7.515 28.772 -11.136 1.00 0.00 O ATOM 137 ND2 ASN A 11 7.431 27.391 -9.446 1.00 0.00 N ATOM 0 H ASN A 11 9.323 30.103 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 11 9.723 29.731 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.614 29.445 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.954 30.525 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.310 26.596 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.460 27.244 -8.437 1.00 0.00 H new ATOM 144 N PRO A 12 9.458 31.832 -11.101 1.00 0.00 N ATOM 145 CA PRO A 12 9.396 33.069 -11.900 1.00 0.00 C ATOM 146 C PRO A 12 8.000 33.256 -12.499 1.00 0.00 C ATOM 147 O PRO A 12 7.590 34.356 -12.811 1.00 0.00 O ATOM 148 CB PRO A 12 10.432 32.836 -13.003 1.00 0.00 C ATOM 149 CG PRO A 12 10.610 31.304 -13.118 1.00 0.00 C ATOM 150 CD PRO A 12 10.114 30.701 -11.790 1.00 0.00 C ATOM 0 HA PRO A 12 9.595 33.965 -11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.094 33.260 -13.949 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.377 33.319 -12.756 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.040 30.910 -13.959 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.655 31.048 -13.293 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.417 29.880 -11.961 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.940 30.301 -11.201 1.00 0.00 H new ATOM 158 N CYS A 13 7.268 32.189 -12.665 1.00 0.00 N ATOM 159 CA CYS A 13 5.901 32.304 -13.246 1.00 0.00 C ATOM 160 C CYS A 13 4.983 33.039 -12.272 1.00 0.00 C ATOM 161 O CYS A 13 4.430 34.072 -12.592 1.00 0.00 O ATOM 162 CB CYS A 13 5.350 30.906 -13.525 1.00 0.00 C ATOM 163 SG CYS A 13 6.114 30.257 -15.032 1.00 0.00 S ATOM 0 H CYS A 13 7.558 31.241 -12.423 1.00 0.00 H new ATOM 0 HA CYS A 13 5.950 32.867 -14.178 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.558 30.245 -12.684 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.267 30.945 -13.639 1.00 0.00 H new ATOM 168 N CYS A 14 4.811 32.525 -11.085 1.00 0.00 N ATOM 169 CA CYS A 14 3.921 33.213 -10.112 1.00 0.00 C ATOM 170 C CYS A 14 4.650 34.406 -9.494 1.00 0.00 C ATOM 171 O CYS A 14 5.523 34.258 -8.662 1.00 0.00 O ATOM 172 CB CYS A 14 3.477 32.236 -9.020 1.00 0.00 C ATOM 173 SG CYS A 14 4.907 31.659 -8.075 1.00 0.00 S ATOM 0 H CYS A 14 5.245 31.665 -10.750 1.00 0.00 H new ATOM 0 HA CYS A 14 3.035 33.574 -10.635 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.765 32.723 -8.354 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.963 31.387 -9.470 1.00 0.00 H new ATOM 178 N ASP A 15 4.292 35.593 -9.903 1.00 0.00 N ATOM 179 CA ASP A 15 4.953 36.808 -9.353 1.00 0.00 C ATOM 180 C ASP A 15 4.958 36.734 -7.826 1.00 0.00 C ATOM 181 O ASP A 15 4.027 36.245 -7.218 1.00 0.00 O ATOM 182 CB ASP A 15 4.175 38.048 -9.797 1.00 0.00 C ATOM 183 CG ASP A 15 4.714 38.537 -11.143 1.00 0.00 C ATOM 184 OD1 ASP A 15 4.993 37.702 -11.987 1.00 0.00 O ATOM 185 OD2 ASP A 15 4.838 39.741 -11.306 1.00 0.00 O ATOM 0 H ASP A 15 3.567 35.773 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 15 5.978 36.866 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.114 37.813 -9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.268 38.835 -9.049 1.00 0.00 H new ATOM 190 N ALA A 16 6.002 37.215 -7.206 1.00 0.00 N ATOM 191 CA ALA A 16 6.075 37.172 -5.717 1.00 0.00 C ATOM 192 C ALA A 16 5.170 38.257 -5.128 1.00 0.00 C ATOM 193 O ALA A 16 4.363 37.999 -4.256 1.00 0.00 O ATOM 194 CB ALA A 16 7.518 37.415 -5.271 1.00 0.00 C ATOM 0 H ALA A 16 6.808 37.636 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 16 5.744 36.194 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.573 37.384 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.163 36.642 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.848 38.392 -5.623 1.00 0.00 H new ATOM 200 N ALA A 17 5.300 39.468 -5.594 1.00 0.00 N ATOM 201 CA ALA A 17 4.448 40.568 -5.059 1.00 0.00 C ATOM 202 C ALA A 17 2.982 40.137 -5.087 1.00 0.00 C ATOM 203 O ALA A 17 2.215 40.447 -4.197 1.00 0.00 O ATOM 204 CB ALA A 17 4.628 41.818 -5.924 1.00 0.00 C ATOM 0 H ALA A 17 5.959 39.744 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 17 4.742 40.789 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.005 42.623 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.673 42.126 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.333 41.596 -6.950 1.00 0.00 H new ATOM 210 N THR A 18 2.585 39.424 -6.105 1.00 0.00 N ATOM 211 CA THR A 18 1.168 38.973 -6.194 1.00 0.00 C ATOM 212 C THR A 18 1.110 37.443 -6.079 1.00 0.00 C ATOM 213 O THR A 18 0.083 36.834 -6.291 1.00 0.00 O ATOM 214 CB THR A 18 0.583 39.423 -7.534 1.00 0.00 C ATOM 215 OG1 THR A 18 -0.749 38.947 -7.653 1.00 0.00 O ATOM 216 CG2 THR A 18 1.437 38.874 -8.678 1.00 0.00 C ATOM 0 H THR A 18 3.182 39.134 -6.880 1.00 0.00 H new ATOM 0 HA THR A 18 0.587 39.410 -5.382 1.00 0.00 H new ATOM 0 HB THR A 18 0.580 40.512 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.360 39.707 -7.752 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.018 39.196 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.456 39.249 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.446 37.785 -8.635 1.00 0.00 H new ATOM 224 N CYS A 19 2.213 36.830 -5.732 1.00 0.00 N ATOM 225 CA CYS A 19 2.267 35.340 -5.571 1.00 0.00 C ATOM 226 C CYS A 19 1.421 34.625 -6.631 1.00 0.00 C ATOM 227 O CYS A 19 0.981 33.514 -6.423 1.00 0.00 O ATOM 228 CB CYS A 19 1.770 34.944 -4.173 1.00 0.00 C ATOM 229 SG CYS A 19 0.179 35.734 -3.823 1.00 0.00 S ATOM 0 H CYS A 19 3.096 37.306 -5.549 1.00 0.00 H new ATOM 0 HA CYS A 19 3.305 35.033 -5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.667 33.861 -4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.503 35.239 -3.422 1.00 0.00 H new ATOM 234 N LYS A 20 1.196 35.218 -7.769 1.00 0.00 N ATOM 235 CA LYS A 20 0.376 34.507 -8.799 1.00 0.00 C ATOM 236 C LYS A 20 1.037 34.599 -10.175 1.00 0.00 C ATOM 237 O LYS A 20 1.801 35.502 -10.456 1.00 0.00 O ATOM 238 CB LYS A 20 -1.041 35.090 -8.864 1.00 0.00 C ATOM 239 CG LYS A 20 -1.019 36.595 -8.596 1.00 0.00 C ATOM 240 CD LYS A 20 -1.563 37.337 -9.817 1.00 0.00 C ATOM 241 CE LYS A 20 -2.981 37.830 -9.523 1.00 0.00 C ATOM 242 NZ LYS A 20 -3.713 38.036 -10.804 1.00 0.00 N ATOM 0 H LYS A 20 1.534 36.144 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 20 0.312 33.458 -8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.474 34.897 -9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.678 34.594 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.621 36.828 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.002 36.922 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.917 38.180 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.568 36.677 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.508 37.104 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.943 38.762 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.677 38.371 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.213 38.744 -11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.761 37.137 -11.325 1.00 0.00 H new ATOM 256 N LEU A 21 0.748 33.653 -11.029 1.00 0.00 N ATOM 257 CA LEU A 21 1.353 33.642 -12.395 1.00 0.00 C ATOM 258 C LEU A 21 0.982 34.921 -13.147 1.00 0.00 C ATOM 259 O LEU A 21 -0.175 35.272 -13.275 1.00 0.00 O ATOM 260 CB LEU A 21 0.849 32.421 -13.170 1.00 0.00 C ATOM 261 CG LEU A 21 0.691 31.235 -12.212 1.00 0.00 C ATOM 262 CD1 LEU A 21 -0.793 30.979 -11.943 1.00 0.00 C ATOM 263 CD2 LEU A 21 1.314 29.987 -12.835 1.00 0.00 C ATOM 0 H LEU A 21 0.112 32.879 -10.837 1.00 0.00 H new ATOM 0 HA LEU A 21 2.438 33.590 -12.302 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.105 32.648 -13.645 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.549 32.168 -13.966 1.00 0.00 H new ATOM 0 HG LEU A 21 1.194 31.466 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.899 30.135 -11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.240 31.866 -11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.299 30.753 -12.882 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.201 29.145 -12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.813 29.761 -13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.373 30.163 -13.021 1.00 0.00 H new ATOM 275 N ARG A 22 1.968 35.618 -13.644 1.00 0.00 N ATOM 276 CA ARG A 22 1.700 36.878 -14.393 1.00 0.00 C ATOM 277 C ARG A 22 1.407 36.580 -15.876 1.00 0.00 C ATOM 278 O ARG A 22 0.514 37.175 -16.443 1.00 0.00 O ATOM 279 CB ARG A 22 2.915 37.805 -14.285 1.00 0.00 C ATOM 280 CG ARG A 22 2.658 39.079 -15.091 1.00 0.00 C ATOM 281 CD ARG A 22 3.956 39.880 -15.206 1.00 0.00 C ATOM 282 NE ARG A 22 3.633 41.324 -15.392 1.00 0.00 N ATOM 283 CZ ARG A 22 3.807 42.164 -14.409 1.00 0.00 C ATOM 284 NH1 ARG A 22 5.001 42.358 -13.917 1.00 0.00 N ATOM 285 NH2 ARG A 22 2.787 42.815 -13.918 1.00 0.00 N ATOM 0 H ARG A 22 2.953 35.367 -13.562 1.00 0.00 H new ATOM 0 HA ARG A 22 0.826 37.363 -13.958 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.104 38.054 -13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.806 37.299 -14.658 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.286 38.825 -16.083 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.889 39.680 -14.606 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.561 39.744 -14.309 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.547 39.517 -16.047 1.00 0.00 H new ATOM 0 HE ARG A 22 3.276 41.655 -16.288 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.799 41.852 -14.301 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.135 43.015 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.854 42.667 -14.303 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.923 43.472 -13.149 1.00 0.00 H new ATOM 299 N PRO A 23 2.163 35.681 -16.472 1.00 0.00 N ATOM 300 CA PRO A 23 1.976 35.326 -17.891 1.00 0.00 C ATOM 301 C PRO A 23 0.786 34.375 -18.054 1.00 0.00 C ATOM 302 O PRO A 23 0.119 34.029 -17.099 1.00 0.00 O ATOM 303 CB PRO A 23 3.289 34.638 -18.270 1.00 0.00 C ATOM 304 CG PRO A 23 3.915 34.133 -16.949 1.00 0.00 C ATOM 305 CD PRO A 23 3.260 34.939 -15.810 1.00 0.00 C ATOM 0 HA PRO A 23 1.760 36.188 -18.523 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.110 33.810 -18.956 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.959 35.332 -18.777 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.736 33.066 -16.820 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.995 34.277 -16.953 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.881 34.284 -15.026 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.973 35.617 -15.341 1.00 0.00 H new ATOM 313 N GLY A 24 0.513 33.957 -19.260 1.00 0.00 N ATOM 314 CA GLY A 24 -0.636 33.037 -19.491 1.00 0.00 C ATOM 315 C GLY A 24 -0.327 31.657 -18.904 1.00 0.00 C ATOM 316 O GLY A 24 -0.260 30.672 -19.614 1.00 0.00 O ATOM 0 H GLY A 24 1.037 34.214 -20.096 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.537 33.444 -19.031 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.835 32.951 -20.559 1.00 0.00 H new ATOM 320 N ALA A 25 -0.146 31.573 -17.615 1.00 0.00 N ATOM 321 CA ALA A 25 0.148 30.254 -16.991 1.00 0.00 C ATOM 322 C ALA A 25 -1.074 29.790 -16.196 1.00 0.00 C ATOM 323 O ALA A 25 -2.012 30.536 -15.994 1.00 0.00 O ATOM 324 CB ALA A 25 1.349 30.386 -16.053 1.00 0.00 C ATOM 0 H ALA A 25 -0.189 32.360 -16.968 1.00 0.00 H new ATOM 0 HA ALA A 25 0.378 29.525 -17.768 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.563 29.419 -15.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.218 30.720 -16.620 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.123 31.113 -15.273 1.00 0.00 H new ATOM 330 N GLN A 26 -1.074 28.567 -15.746 1.00 0.00 N ATOM 331 CA GLN A 26 -2.240 28.061 -14.968 1.00 0.00 C ATOM 332 C GLN A 26 -1.821 27.812 -13.518 1.00 0.00 C ATOM 333 O GLN A 26 -2.464 28.259 -12.589 1.00 0.00 O ATOM 334 CB GLN A 26 -2.736 26.753 -15.586 1.00 0.00 C ATOM 335 CG GLN A 26 -4.029 27.012 -16.363 1.00 0.00 C ATOM 336 CD GLN A 26 -4.019 26.196 -17.657 1.00 0.00 C ATOM 337 OE1 GLN A 26 -3.294 26.602 -18.664 1.00 0.00 O flip ATOM 338 NE2 GLN A 26 -4.678 25.180 -17.753 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.318 27.896 -15.883 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.039 28.802 -14.992 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.976 26.342 -16.251 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.911 26.013 -14.805 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.892 26.739 -15.755 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.122 28.074 -16.591 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.244 24.863 -16.966 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.665 24.644 -18.621 1.00 0.00 H new ATOM 347 N CYS A 27 -0.749 27.096 -13.317 1.00 0.00 N ATOM 348 CA CYS A 27 -0.290 26.814 -11.929 1.00 0.00 C ATOM 349 C CYS A 27 1.240 26.813 -11.895 1.00 0.00 C ATOM 350 O CYS A 27 1.890 26.254 -12.754 1.00 0.00 O ATOM 351 CB CYS A 27 -0.830 25.446 -11.489 1.00 0.00 C ATOM 352 SG CYS A 27 0.081 24.843 -10.042 1.00 0.00 S ATOM 0 H CYS A 27 -0.171 26.694 -14.055 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.661 27.581 -11.249 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.891 25.526 -11.252 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.739 24.732 -12.307 1.00 0.00 H new ATOM 357 N GLY A 28 1.818 27.442 -10.907 1.00 0.00 N ATOM 358 CA GLY A 28 3.304 27.487 -10.815 1.00 0.00 C ATOM 359 C GLY A 28 3.824 26.224 -10.123 1.00 0.00 C ATOM 360 O GLY A 28 4.810 25.646 -10.534 1.00 0.00 O ATOM 0 H GLY A 28 1.323 27.927 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.736 27.569 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.616 28.371 -10.259 1.00 0.00 H new ATOM 364 N GLU A 29 3.177 25.794 -9.073 1.00 0.00 N ATOM 365 CA GLU A 29 3.651 24.572 -8.362 1.00 0.00 C ATOM 366 C GLU A 29 2.455 23.723 -7.926 1.00 0.00 C ATOM 367 O GLU A 29 1.370 24.224 -7.706 1.00 0.00 O ATOM 368 CB GLU A 29 4.459 24.983 -7.129 1.00 0.00 C ATOM 369 CG GLU A 29 5.233 23.775 -6.598 1.00 0.00 C ATOM 370 CD GLU A 29 6.049 24.191 -5.372 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.939 25.011 -5.527 1.00 0.00 O ATOM 372 OE2 GLU A 29 5.769 23.682 -4.299 1.00 0.00 O ATOM 0 H GLU A 29 2.345 26.233 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 29 4.278 23.987 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.150 25.786 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.793 25.369 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.542 22.974 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.893 23.384 -7.372 1.00 0.00 H new ATOM 379 N GLY A 30 2.648 22.438 -7.798 1.00 0.00 N ATOM 380 CA GLY A 30 1.529 21.547 -7.377 1.00 0.00 C ATOM 381 C GLY A 30 1.842 20.110 -7.800 1.00 0.00 C ATOM 382 O GLY A 30 2.765 19.863 -8.550 1.00 0.00 O ATOM 0 H GLY A 30 3.536 21.965 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.394 21.599 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.595 21.877 -7.832 1.00 0.00 H new ATOM 386 N LEU A 31 1.081 19.159 -7.331 1.00 0.00 N ATOM 387 CA LEU A 31 1.344 17.744 -7.715 1.00 0.00 C ATOM 388 C LEU A 31 1.125 17.578 -9.220 1.00 0.00 C ATOM 389 O LEU A 31 1.470 16.567 -9.798 1.00 0.00 O ATOM 390 CB LEU A 31 0.391 16.816 -6.957 1.00 0.00 C ATOM 391 CG LEU A 31 0.996 16.461 -5.598 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.342 15.763 -5.806 1.00 0.00 C ATOM 393 CD2 LEU A 31 1.208 17.739 -4.784 1.00 0.00 C ATOM 0 H LEU A 31 0.291 19.300 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 31 2.373 17.487 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.575 17.302 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.213 15.909 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 31 0.319 15.796 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.774 15.510 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.194 14.853 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.018 16.429 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.639 17.486 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.885 18.404 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.251 18.239 -4.636 1.00 0.00 H new ATOM 405 N CYS A 32 0.554 18.563 -9.858 1.00 0.00 N ATOM 406 CA CYS A 32 0.314 18.457 -11.323 1.00 0.00 C ATOM 407 C CYS A 32 0.507 19.826 -11.980 1.00 0.00 C ATOM 408 O CYS A 32 -0.366 20.329 -12.657 1.00 0.00 O ATOM 409 CB CYS A 32 -1.112 17.961 -11.571 1.00 0.00 C ATOM 410 SG CYS A 32 -1.072 16.188 -11.936 1.00 0.00 S ATOM 0 H CYS A 32 0.244 19.435 -9.428 1.00 0.00 H new ATOM 0 HA CYS A 32 1.023 17.751 -11.755 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.733 18.150 -10.695 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.560 18.505 -12.403 1.00 0.00 H new ATOM 415 N CYS A 33 1.650 20.430 -11.787 1.00 0.00 N ATOM 416 CA CYS A 33 1.905 21.762 -12.404 1.00 0.00 C ATOM 417 C CYS A 33 3.241 21.727 -13.151 1.00 0.00 C ATOM 418 O CYS A 33 4.293 21.890 -12.567 1.00 0.00 O ATOM 419 CB CYS A 33 1.961 22.834 -11.313 1.00 0.00 C ATOM 420 SG CYS A 33 0.383 22.882 -10.427 1.00 0.00 S ATOM 0 H CYS A 33 2.418 20.057 -11.228 1.00 0.00 H new ATOM 0 HA CYS A 33 1.100 21.998 -13.101 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.773 22.618 -10.619 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.171 23.808 -11.756 1.00 0.00 H new ATOM 425 N GLU A 34 3.206 21.521 -14.440 1.00 0.00 N ATOM 426 CA GLU A 34 4.472 21.482 -15.222 1.00 0.00 C ATOM 427 C GLU A 34 4.500 22.676 -16.175 1.00 0.00 C ATOM 428 O GLU A 34 3.499 23.037 -16.762 1.00 0.00 O ATOM 429 CB GLU A 34 4.540 20.181 -16.024 1.00 0.00 C ATOM 430 CG GLU A 34 5.899 20.078 -16.720 1.00 0.00 C ATOM 431 CD GLU A 34 5.782 19.162 -17.939 1.00 0.00 C ATOM 432 OE1 GLU A 34 5.487 19.667 -19.010 1.00 0.00 O ATOM 433 OE2 GLU A 34 5.991 17.971 -17.781 1.00 0.00 O ATOM 0 H GLU A 34 2.355 21.378 -14.984 1.00 0.00 H new ATOM 0 HA GLU A 34 5.326 21.528 -14.547 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.393 19.327 -15.363 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.739 20.155 -16.763 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.238 21.067 -17.027 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.645 19.686 -16.028 1.00 0.00 H new ATOM 440 N GLN A 35 5.634 23.298 -16.329 1.00 0.00 N ATOM 441 CA GLN A 35 5.717 24.472 -17.237 1.00 0.00 C ATOM 442 C GLN A 35 4.774 25.565 -16.731 1.00 0.00 C ATOM 443 O GLN A 35 4.252 26.352 -17.495 1.00 0.00 O ATOM 444 CB GLN A 35 5.302 24.058 -18.649 1.00 0.00 C ATOM 445 CG GLN A 35 5.860 25.062 -19.660 1.00 0.00 C ATOM 446 CD GLN A 35 5.472 24.630 -21.076 1.00 0.00 C ATOM 447 OE1 GLN A 35 4.695 23.712 -21.252 1.00 0.00 O ATOM 448 NE2 GLN A 35 5.982 25.258 -22.099 1.00 0.00 N ATOM 0 H GLN A 35 6.506 23.044 -15.865 1.00 0.00 H new ATOM 0 HA GLN A 35 6.740 24.847 -17.257 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.674 23.058 -18.870 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.215 24.017 -18.723 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.470 26.058 -19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.945 25.120 -19.570 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.634 26.028 -21.951 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.729 24.979 -23.047 1.00 0.00 H new ATOM 457 N CYS A 36 4.548 25.614 -15.446 1.00 0.00 N ATOM 458 CA CYS A 36 3.633 26.649 -14.888 1.00 0.00 C ATOM 459 C CYS A 36 2.212 26.392 -15.391 1.00 0.00 C ATOM 460 O CYS A 36 1.365 27.261 -15.363 1.00 0.00 O ATOM 461 CB CYS A 36 4.090 28.036 -15.340 1.00 0.00 C ATOM 462 SG CYS A 36 5.834 28.261 -14.917 1.00 0.00 S ATOM 0 H CYS A 36 4.958 24.981 -14.759 1.00 0.00 H new ATOM 0 HA CYS A 36 3.651 26.600 -13.799 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.948 28.145 -16.415 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.486 28.805 -14.859 1.00 0.00 H new ATOM 467 N LYS A 37 1.948 25.202 -15.856 1.00 0.00 N ATOM 468 CA LYS A 37 0.586 24.884 -16.365 1.00 0.00 C ATOM 469 C LYS A 37 0.161 23.508 -15.851 1.00 0.00 C ATOM 470 O LYS A 37 0.959 22.758 -15.326 1.00 0.00 O ATOM 471 CB LYS A 37 0.609 24.868 -17.895 1.00 0.00 C ATOM 472 CG LYS A 37 -0.300 25.976 -18.433 1.00 0.00 C ATOM 473 CD LYS A 37 -0.233 25.991 -19.961 1.00 0.00 C ATOM 474 CE LYS A 37 0.709 27.103 -20.420 1.00 0.00 C ATOM 475 NZ LYS A 37 0.566 27.300 -21.891 1.00 0.00 N ATOM 0 H LYS A 37 2.619 24.435 -15.905 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.120 25.638 -16.017 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.628 25.012 -18.255 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.275 23.898 -18.264 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.326 25.811 -18.105 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.011 26.942 -18.035 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.118 25.027 -20.329 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.228 26.148 -20.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.479 28.030 -19.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.739 26.845 -20.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.207 28.057 -22.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.806 26.417 -22.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.415 27.564 -22.112 1.00 0.00 H new ATOM 489 N PHE A 38 -1.088 23.167 -16.002 1.00 0.00 N ATOM 490 CA PHE A 38 -1.557 21.835 -15.526 1.00 0.00 C ATOM 491 C PHE A 38 -0.981 20.748 -16.434 1.00 0.00 C ATOM 492 O PHE A 38 -1.103 20.809 -17.641 1.00 0.00 O ATOM 493 CB PHE A 38 -3.085 21.781 -15.574 1.00 0.00 C ATOM 494 CG PHE A 38 -3.658 22.908 -14.749 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.155 23.166 -13.468 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.696 23.694 -15.265 1.00 0.00 C ATOM 497 CE1 PHE A 38 -3.689 24.210 -12.703 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.230 24.737 -14.499 1.00 0.00 C ATOM 499 CZ PHE A 38 -4.726 24.995 -13.219 1.00 0.00 C ATOM 0 H PHE A 38 -1.804 23.752 -16.434 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.223 21.675 -14.501 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.429 21.860 -16.605 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.437 20.822 -15.193 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.355 22.560 -13.070 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.084 23.496 -16.253 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.301 24.409 -11.715 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.031 25.343 -14.896 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.138 25.801 -12.629 1.00 0.00 H new ATOM 509 N SER A 39 -0.354 19.754 -15.866 1.00 0.00 N ATOM 510 CA SER A 39 0.225 18.669 -16.705 1.00 0.00 C ATOM 511 C SER A 39 -0.843 18.143 -17.669 1.00 0.00 C ATOM 512 O SER A 39 -1.105 18.733 -18.699 1.00 0.00 O ATOM 513 CB SER A 39 0.719 17.537 -15.804 1.00 0.00 C ATOM 514 OG SER A 39 2.018 17.853 -15.320 1.00 0.00 O ATOM 0 H SER A 39 -0.218 19.647 -14.861 1.00 0.00 H new ATOM 0 HA SER A 39 1.064 19.059 -17.281 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.032 17.395 -14.970 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.744 16.599 -16.359 1.00 0.00 H new ATOM 0 HG SER A 39 2.336 17.129 -14.741 1.00 0.00 H new ATOM 520 N ARG A 40 -1.463 17.041 -17.348 1.00 0.00 N ATOM 521 CA ARG A 40 -2.510 16.487 -18.251 1.00 0.00 C ATOM 522 C ARG A 40 -3.662 15.921 -17.418 1.00 0.00 C ATOM 523 O ARG A 40 -3.569 15.797 -16.212 1.00 0.00 O ATOM 524 CB ARG A 40 -1.906 15.370 -19.102 1.00 0.00 C ATOM 525 CG ARG A 40 -1.041 15.978 -20.207 1.00 0.00 C ATOM 526 CD ARG A 40 0.359 15.367 -20.152 1.00 0.00 C ATOM 527 NE ARG A 40 0.272 13.904 -20.424 1.00 0.00 N ATOM 528 CZ ARG A 40 0.487 13.450 -21.628 1.00 0.00 C ATOM 529 NH1 ARG A 40 0.350 14.241 -22.658 1.00 0.00 N ATOM 530 NH2 ARG A 40 0.838 12.206 -21.802 1.00 0.00 N ATOM 0 H ARG A 40 -1.290 16.501 -16.500 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.886 17.280 -18.897 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.305 14.708 -18.478 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.699 14.763 -19.539 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.493 15.792 -21.181 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.983 17.059 -20.084 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.006 15.847 -20.886 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.805 15.540 -19.173 1.00 0.00 H new ATOM 0 HE ARG A 40 0.044 13.258 -19.669 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.075 15.214 -22.521 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.518 13.886 -23.599 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.944 11.589 -20.997 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.006 11.850 -22.743 1.00 0.00 H new ATOM 544 N ALA A 41 -4.743 15.565 -18.056 1.00 0.00 N ATOM 545 CA ALA A 41 -5.897 14.994 -17.310 1.00 0.00 C ATOM 546 C ALA A 41 -5.600 13.530 -16.985 1.00 0.00 C ATOM 547 O ALA A 41 -4.990 12.825 -17.764 1.00 0.00 O ATOM 548 CB ALA A 41 -7.157 15.079 -18.173 1.00 0.00 C ATOM 0 H ALA A 41 -4.876 15.646 -19.064 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.055 15.554 -16.388 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.002 14.661 -17.626 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.362 16.122 -18.415 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.006 14.515 -19.094 1.00 0.00 H new ATOM 554 N GLY A 42 -6.015 13.066 -15.839 1.00 0.00 N ATOM 555 CA GLY A 42 -5.741 11.649 -15.470 1.00 0.00 C ATOM 556 C GLY A 42 -4.247 11.491 -15.190 1.00 0.00 C ATOM 557 O GLY A 42 -3.667 10.448 -15.419 1.00 0.00 O ATOM 0 H GLY A 42 -6.531 13.605 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.321 11.369 -14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.046 10.983 -16.278 1.00 0.00 H new ATOM 561 N LYS A 43 -3.620 12.524 -14.700 1.00 0.00 N ATOM 562 CA LYS A 43 -2.162 12.445 -14.406 1.00 0.00 C ATOM 563 C LYS A 43 -1.960 11.844 -13.012 1.00 0.00 C ATOM 564 O LYS A 43 -2.484 12.334 -12.033 1.00 0.00 O ATOM 565 CB LYS A 43 -1.563 13.857 -14.469 1.00 0.00 C ATOM 566 CG LYS A 43 -0.229 13.898 -13.722 1.00 0.00 C ATOM 567 CD LYS A 43 0.776 12.983 -14.424 1.00 0.00 C ATOM 568 CE LYS A 43 2.091 13.736 -14.641 1.00 0.00 C ATOM 569 NZ LYS A 43 3.234 12.844 -14.296 1.00 0.00 N ATOM 0 H LYS A 43 -4.056 13.422 -14.490 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.663 11.811 -15.139 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.416 14.151 -15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.256 14.574 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.152 14.919 -13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.368 13.579 -12.689 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.951 12.090 -13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.374 12.650 -15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.170 14.062 -15.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.116 14.633 -14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.129 13.354 -14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.160 12.554 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.212 12.001 -14.904 1.00 0.00 H new ATOM 583 N ILE A 44 -1.207 10.783 -12.913 1.00 0.00 N ATOM 584 CA ILE A 44 -0.985 10.154 -11.582 1.00 0.00 C ATOM 585 C ILE A 44 -0.325 11.161 -10.638 1.00 0.00 C ATOM 586 O ILE A 44 0.737 11.685 -10.908 1.00 0.00 O ATOM 587 CB ILE A 44 -0.083 8.926 -11.737 1.00 0.00 C ATOM 588 CG1 ILE A 44 -0.883 7.786 -12.370 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.428 8.483 -10.364 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.897 7.253 -11.354 1.00 0.00 C ATOM 0 H ILE A 44 -0.737 10.326 -13.695 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.944 9.847 -11.166 1.00 0.00 H new ATOM 0 HB ILE A 44 0.765 9.180 -12.374 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.398 8.140 -13.263 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.212 6.987 -12.685 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.069 7.609 -10.479 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.997 9.293 -9.909 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.418 8.231 -9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.469 6.440 -11.802 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.371 6.884 -10.474 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.575 8.055 -11.061 1.00 0.00 H new ATOM 602 N CYS A 45 -0.951 11.423 -9.524 1.00 0.00 N ATOM 603 CA CYS A 45 -0.375 12.385 -8.542 1.00 0.00 C ATOM 604 C CYS A 45 0.091 11.608 -7.310 1.00 0.00 C ATOM 605 O CYS A 45 1.073 11.946 -6.680 1.00 0.00 O ATOM 606 CB CYS A 45 -1.441 13.404 -8.136 1.00 0.00 C ATOM 607 SG CYS A 45 -3.006 12.550 -7.818 1.00 0.00 S ATOM 0 H CYS A 45 -1.842 11.010 -9.250 1.00 0.00 H new ATOM 0 HA CYS A 45 0.468 12.913 -8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.122 13.944 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.572 14.143 -8.926 1.00 0.00 H new ATOM 612 N ARG A 46 -0.608 10.559 -6.973 1.00 0.00 N ATOM 613 CA ARG A 46 -0.217 9.738 -5.794 1.00 0.00 C ATOM 614 C ARG A 46 -0.442 8.266 -6.131 1.00 0.00 C ATOM 615 O ARG A 46 -1.426 7.905 -6.747 1.00 0.00 O ATOM 616 CB ARG A 46 -1.071 10.129 -4.586 1.00 0.00 C ATOM 617 CG ARG A 46 -0.338 11.191 -3.764 1.00 0.00 C ATOM 618 CD ARG A 46 -1.342 11.941 -2.886 1.00 0.00 C ATOM 619 NE ARG A 46 -1.033 13.399 -2.917 1.00 0.00 N ATOM 620 CZ ARG A 46 -1.837 14.249 -2.340 1.00 0.00 C ATOM 621 NH1 ARG A 46 -2.752 13.825 -1.512 1.00 0.00 N ATOM 622 NH2 ARG A 46 -1.724 15.525 -2.592 1.00 0.00 N ATOM 0 H ARG A 46 -1.439 10.234 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 46 0.832 9.908 -5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.035 10.513 -4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.272 9.252 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.425 10.722 -3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.174 11.889 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.357 11.765 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.295 11.570 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.193 13.732 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.839 12.828 -1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.380 14.491 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.008 15.856 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.352 16.191 -2.142 1.00 0.00 H new ATOM 636 N ILE A 47 0.465 7.410 -5.751 1.00 0.00 N ATOM 637 CA ILE A 47 0.299 5.967 -6.075 1.00 0.00 C ATOM 638 C ILE A 47 0.701 5.109 -4.865 1.00 0.00 C ATOM 639 O ILE A 47 1.872 4.970 -4.571 1.00 0.00 O ATOM 640 CB ILE A 47 1.190 5.628 -7.270 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.904 4.201 -7.737 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.663 5.750 -6.872 1.00 0.00 C ATOM 643 CD1 ILE A 47 0.943 4.156 -9.265 1.00 0.00 C ATOM 0 H ILE A 47 1.311 7.646 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.743 5.760 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 47 0.978 6.325 -8.081 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.642 3.515 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.072 3.876 -7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.293 5.507 -7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.869 6.770 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.878 5.060 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.740 3.140 -9.604 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.188 4.831 -9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.929 4.464 -9.613 1.00 0.00 H new ATOM 755 N ASP A 54 -4.439 4.186 -7.689 1.00 0.00 N ATOM 756 CA ASP A 54 -3.525 5.353 -7.824 1.00 0.00 C ATOM 757 C ASP A 54 -4.344 6.636 -7.990 1.00 0.00 C ATOM 758 O ASP A 54 -5.384 6.643 -8.617 1.00 0.00 O ATOM 759 CB ASP A 54 -2.637 5.157 -9.052 1.00 0.00 C ATOM 760 CG ASP A 54 -2.134 3.712 -9.095 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.180 3.059 -8.065 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.713 3.284 -10.156 1.00 0.00 O ATOM 0 HA ASP A 54 -2.907 5.434 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.197 5.385 -9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.793 5.846 -9.017 1.00 0.00 H new ATOM 767 N ASP A 55 -3.878 7.721 -7.437 1.00 0.00 N ATOM 768 CA ASP A 55 -4.622 9.007 -7.567 1.00 0.00 C ATOM 769 C ASP A 55 -4.173 9.721 -8.844 1.00 0.00 C ATOM 770 O ASP A 55 -2.996 9.818 -9.129 1.00 0.00 O ATOM 771 CB ASP A 55 -4.323 9.893 -6.356 1.00 0.00 C ATOM 772 CG ASP A 55 -5.244 9.505 -5.198 1.00 0.00 C ATOM 773 OD1 ASP A 55 -6.101 8.663 -5.403 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.075 10.058 -4.123 1.00 0.00 O ATOM 0 H ASP A 55 -3.013 7.774 -6.900 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.693 8.808 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.280 9.780 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.469 10.942 -6.615 1.00 0.00 H new ATOM 779 N ARG A 56 -5.098 10.218 -9.619 1.00 0.00 N ATOM 780 CA ARG A 56 -4.712 10.919 -10.876 1.00 0.00 C ATOM 781 C ARG A 56 -5.263 12.346 -10.863 1.00 0.00 C ATOM 782 O ARG A 56 -6.204 12.655 -10.158 1.00 0.00 O ATOM 783 CB ARG A 56 -5.284 10.161 -12.075 1.00 0.00 C ATOM 784 CG ARG A 56 -5.118 8.656 -11.857 1.00 0.00 C ATOM 785 CD ARG A 56 -4.662 8.000 -13.161 1.00 0.00 C ATOM 786 NE ARG A 56 -4.845 6.525 -13.064 1.00 0.00 N ATOM 787 CZ ARG A 56 -5.611 5.903 -13.918 1.00 0.00 C ATOM 788 NH1 ARG A 56 -6.792 6.380 -14.202 1.00 0.00 N ATOM 789 NH2 ARG A 56 -5.197 4.804 -14.487 1.00 0.00 N ATOM 0 H ARG A 56 -6.100 10.169 -9.437 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.625 10.955 -10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.338 10.406 -12.204 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.772 10.465 -12.988 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.388 8.470 -11.069 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.061 8.219 -11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.236 8.394 -13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.615 8.236 -13.353 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.371 6.000 -12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.116 7.239 -13.757 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.391 5.894 -14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.274 4.431 -14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.796 4.318 -15.154 1.00 0.00 H new ATOM 803 N CYS A 57 -4.683 13.218 -11.643 1.00 0.00 N ATOM 804 CA CYS A 57 -5.165 14.626 -11.686 1.00 0.00 C ATOM 805 C CYS A 57 -6.308 14.737 -12.693 1.00 0.00 C ATOM 806 O CYS A 57 -6.403 13.962 -13.624 1.00 0.00 O ATOM 807 CB CYS A 57 -4.020 15.545 -12.124 1.00 0.00 C ATOM 808 SG CYS A 57 -2.657 15.428 -10.940 1.00 0.00 S ATOM 0 H CYS A 57 -3.893 13.013 -12.254 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.514 14.921 -10.696 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.675 15.264 -13.119 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.372 16.575 -12.188 1.00 0.00 H new ATOM 813 N THR A 58 -7.173 15.697 -12.520 1.00 0.00 N ATOM 814 CA THR A 58 -8.306 15.861 -13.473 1.00 0.00 C ATOM 815 C THR A 58 -7.832 16.640 -14.702 1.00 0.00 C ATOM 816 O THR A 58 -8.576 16.853 -15.638 1.00 0.00 O ATOM 817 CB THR A 58 -9.439 16.628 -12.789 1.00 0.00 C ATOM 818 OG1 THR A 58 -8.990 17.934 -12.458 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.858 15.893 -11.515 1.00 0.00 C ATOM 0 H THR A 58 -7.144 16.376 -11.759 1.00 0.00 H new ATOM 0 HA THR A 58 -8.665 14.880 -13.782 1.00 0.00 H new ATOM 0 HB THR A 58 -10.292 16.696 -13.464 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.715 18.428 -12.021 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.665 16.440 -11.028 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.201 14.890 -11.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.007 15.824 -10.838 1.00 0.00 H new ATOM 827 N GLY A 59 -6.598 17.067 -14.708 1.00 0.00 N ATOM 828 CA GLY A 59 -6.079 17.831 -15.876 1.00 0.00 C ATOM 829 C GLY A 59 -6.283 19.328 -15.636 1.00 0.00 C ATOM 830 O GLY A 59 -5.456 20.143 -15.993 1.00 0.00 O ATOM 0 H GLY A 59 -5.928 16.919 -13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.021 17.616 -16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.597 17.523 -16.785 1.00 0.00 H new ATOM 834 N GLN A 60 -7.381 19.696 -15.033 1.00 0.00 N ATOM 835 CA GLN A 60 -7.639 21.139 -14.771 1.00 0.00 C ATOM 836 C GLN A 60 -7.189 21.490 -13.351 1.00 0.00 C ATOM 837 O GLN A 60 -6.950 22.637 -13.031 1.00 0.00 O ATOM 838 CB GLN A 60 -9.136 21.424 -14.918 1.00 0.00 C ATOM 839 CG GLN A 60 -9.683 20.676 -16.134 1.00 0.00 C ATOM 840 CD GLN A 60 -8.812 20.978 -17.356 1.00 0.00 C ATOM 841 OE1 GLN A 60 -8.052 20.139 -17.797 1.00 0.00 O ATOM 842 NE2 GLN A 60 -8.891 22.150 -17.925 1.00 0.00 N ATOM 0 H GLN A 60 -8.110 19.059 -14.711 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.082 21.743 -15.487 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.666 21.112 -14.018 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.303 22.495 -15.032 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.695 19.604 -15.939 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.713 20.977 -16.326 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.529 22.855 -17.555 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.315 22.361 -18.740 1.00 0.00 H new ATOM 851 N SER A 61 -7.074 20.510 -12.497 1.00 0.00 N ATOM 852 CA SER A 61 -6.642 20.789 -11.097 1.00 0.00 C ATOM 853 C SER A 61 -5.117 20.707 -11.005 1.00 0.00 C ATOM 854 O SER A 61 -4.490 19.876 -11.631 1.00 0.00 O ATOM 855 CB SER A 61 -7.264 19.756 -10.157 1.00 0.00 C ATOM 856 OG SER A 61 -7.395 20.320 -8.859 1.00 0.00 O ATOM 0 H SER A 61 -7.260 19.529 -12.707 1.00 0.00 H new ATOM 0 HA SER A 61 -6.969 21.788 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.240 19.447 -10.532 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.641 18.863 -10.117 1.00 0.00 H new ATOM 0 HG SER A 61 -7.795 19.660 -8.255 1.00 0.00 H new ATOM 862 N ALA A 62 -4.514 21.565 -10.227 1.00 0.00 N ATOM 863 CA ALA A 62 -3.031 21.535 -10.091 1.00 0.00 C ATOM 864 C ALA A 62 -2.646 20.599 -8.944 1.00 0.00 C ATOM 865 O ALA A 62 -1.798 19.741 -9.089 1.00 0.00 O ATOM 866 CB ALA A 62 -2.519 22.946 -9.793 1.00 0.00 C ATOM 0 H ALA A 62 -4.985 22.285 -9.680 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.586 21.176 -11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.434 22.926 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.796 23.613 -10.609 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.962 23.305 -8.864 1.00 0.00 H new ATOM 872 N ASP A 63 -3.267 20.751 -7.807 1.00 0.00 N ATOM 873 CA ASP A 63 -2.940 19.864 -6.657 1.00 0.00 C ATOM 874 C ASP A 63 -3.657 18.526 -6.838 1.00 0.00 C ATOM 875 O ASP A 63 -4.447 18.354 -7.745 1.00 0.00 O ATOM 876 CB ASP A 63 -3.402 20.522 -5.356 1.00 0.00 C ATOM 877 CG ASP A 63 -2.926 21.976 -5.322 1.00 0.00 C ATOM 878 OD1 ASP A 63 -1.791 22.217 -5.698 1.00 0.00 O ATOM 879 OD2 ASP A 63 -3.707 22.825 -4.922 1.00 0.00 O ATOM 0 H ASP A 63 -3.986 21.451 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.863 19.700 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.489 20.482 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.004 19.978 -4.500 1.00 0.00 H new ATOM 884 N CYS A 64 -3.388 17.573 -5.989 1.00 0.00 N ATOM 885 CA CYS A 64 -4.055 16.249 -6.125 1.00 0.00 C ATOM 886 C CYS A 64 -4.891 15.955 -4.885 1.00 0.00 C ATOM 887 O CYS A 64 -4.360 15.644 -3.837 1.00 0.00 O ATOM 888 CB CYS A 64 -2.997 15.159 -6.298 1.00 0.00 C ATOM 889 SG CYS A 64 -3.794 13.535 -6.243 1.00 0.00 S ATOM 0 H CYS A 64 -2.736 17.654 -5.209 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.707 16.267 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.477 15.289 -7.247 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.248 15.236 -5.510 1.00 0.00 H new ATOM 894 N PRO A 65 -6.183 16.050 -5.052 1.00 0.00 N ATOM 895 CA PRO A 65 -7.137 15.785 -3.973 1.00 0.00 C ATOM 896 C PRO A 65 -7.286 14.275 -3.762 1.00 0.00 C ATOM 897 O PRO A 65 -7.030 13.487 -4.650 1.00 0.00 O ATOM 898 CB PRO A 65 -8.436 16.399 -4.490 1.00 0.00 C ATOM 899 CG PRO A 65 -8.312 16.489 -6.024 1.00 0.00 C ATOM 900 CD PRO A 65 -6.813 16.429 -6.338 1.00 0.00 C ATOM 0 HA PRO A 65 -6.833 16.198 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.292 15.786 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.595 17.387 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.843 15.668 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.751 17.415 -6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.599 15.697 -7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.443 17.390 -6.694 1.00 0.00 H new