USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=6 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 66:sc= 0.874 USER MOD Single : A 8 SER OG : rot 138:sc= 1.02 USER MOD Single : A 11 ASN : amide:sc= -1.88! C(o=-1.9!,f=-8.5!) USER MOD Single : A 18 THR OG1 : rot -163:sc= -3.88! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -5.31! C(o=-5.3!,f=-8.3!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -60:sc= -1.09! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= -1.47 USER MOD Single : A 60 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.043) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -1.991 35.189 -9.502 1.00 0.00 N ATOM 33 CA GLU A 3 -1.087 35.684 -10.582 1.00 0.00 C ATOM 34 C GLU A 3 0.010 34.665 -10.878 1.00 0.00 C ATOM 35 O GLU A 3 0.702 34.777 -11.868 1.00 0.00 O ATOM 36 CB GLU A 3 -0.447 37.005 -10.147 1.00 0.00 C ATOM 37 CG GLU A 3 0.298 36.806 -8.825 1.00 0.00 C ATOM 38 CD GLU A 3 0.318 38.122 -8.045 1.00 0.00 C ATOM 39 OE1 GLU A 3 0.108 39.155 -8.659 1.00 0.00 O ATOM 40 OE2 GLU A 3 0.542 38.074 -6.847 1.00 0.00 O ATOM 0 HA GLU A 3 -1.677 35.835 -11.486 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.242 37.357 -10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.214 37.771 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.188 36.029 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.317 36.470 -9.017 1.00 0.00 H new ATOM 47 N CYS A 4 0.187 33.668 -10.055 1.00 0.00 N ATOM 48 CA CYS A 4 1.253 32.678 -10.361 1.00 0.00 C ATOM 49 C CYS A 4 0.641 31.331 -10.720 1.00 0.00 C ATOM 50 O CYS A 4 0.042 30.654 -9.908 1.00 0.00 O ATOM 51 CB CYS A 4 2.233 32.539 -9.195 1.00 0.00 C ATOM 52 SG CYS A 4 3.635 31.522 -9.733 1.00 0.00 S ATOM 0 H CYS A 4 -0.348 33.499 -9.203 1.00 0.00 H new ATOM 0 HA CYS A 4 1.815 33.042 -11.221 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.580 33.521 -8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.739 32.079 -8.339 1.00 0.00 H new ATOM 57 N ASP A 5 0.799 30.954 -11.957 1.00 0.00 N ATOM 58 CA ASP A 5 0.250 29.664 -12.444 1.00 0.00 C ATOM 59 C ASP A 5 1.361 28.611 -12.426 1.00 0.00 C ATOM 60 O ASP A 5 1.111 27.423 -12.497 1.00 0.00 O ATOM 61 CB ASP A 5 -0.243 29.866 -13.877 1.00 0.00 C ATOM 62 CG ASP A 5 -1.199 28.734 -14.256 1.00 0.00 C ATOM 63 OD1 ASP A 5 -0.719 27.647 -14.529 1.00 0.00 O ATOM 64 OD2 ASP A 5 -2.395 28.974 -14.265 1.00 0.00 O ATOM 0 H ASP A 5 1.296 31.498 -12.663 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.571 29.331 -11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.749 30.828 -13.966 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.603 29.886 -14.564 1.00 0.00 H new ATOM 69 N CYS A 6 2.587 29.046 -12.335 1.00 0.00 N ATOM 70 CA CYS A 6 3.731 28.091 -12.315 1.00 0.00 C ATOM 71 C CYS A 6 4.947 28.805 -11.713 1.00 0.00 C ATOM 72 O CYS A 6 5.267 29.918 -12.080 1.00 0.00 O ATOM 73 CB CYS A 6 4.017 27.631 -13.759 1.00 0.00 C ATOM 74 SG CYS A 6 5.770 27.199 -13.980 1.00 0.00 S ATOM 0 H CYS A 6 2.848 30.030 -12.273 1.00 0.00 H new ATOM 0 HA CYS A 6 3.502 27.214 -11.710 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.395 26.769 -13.998 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.745 28.424 -14.456 1.00 0.00 H new ATOM 79 N SER A 7 5.618 28.181 -10.785 1.00 0.00 N ATOM 80 CA SER A 7 6.801 28.836 -10.159 1.00 0.00 C ATOM 81 C SER A 7 8.073 28.058 -10.504 1.00 0.00 C ATOM 82 O SER A 7 8.878 27.759 -9.644 1.00 0.00 O ATOM 83 CB SER A 7 6.620 28.863 -8.641 1.00 0.00 C ATOM 84 OG SER A 7 6.832 27.558 -8.120 1.00 0.00 O ATOM 0 H SER A 7 5.399 27.249 -10.434 1.00 0.00 H new ATOM 0 HA SER A 7 6.890 29.854 -10.539 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.322 29.565 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.618 29.210 -8.389 1.00 0.00 H new ATOM 0 HG SER A 7 7.766 27.297 -8.261 1.00 0.00 H new ATOM 90 N SER A 8 8.271 27.736 -11.754 1.00 0.00 N ATOM 91 CA SER A 8 9.501 26.988 -12.139 1.00 0.00 C ATOM 92 C SER A 8 10.573 27.989 -12.597 1.00 0.00 C ATOM 93 O SER A 8 10.298 28.852 -13.408 1.00 0.00 O ATOM 94 CB SER A 8 9.180 26.024 -13.282 1.00 0.00 C ATOM 95 OG SER A 8 9.739 24.748 -12.994 1.00 0.00 O ATOM 0 H SER A 8 7.637 27.958 -12.522 1.00 0.00 H new ATOM 0 HA SER A 8 9.868 26.420 -11.284 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.101 25.940 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.583 26.407 -14.220 1.00 0.00 H new ATOM 0 HG SER A 8 9.096 24.048 -13.232 1.00 0.00 H new ATOM 101 N PRO A 9 11.760 27.852 -12.059 1.00 0.00 N ATOM 102 CA PRO A 9 12.887 28.742 -12.390 1.00 0.00 C ATOM 103 C PRO A 9 13.510 28.350 -13.734 1.00 0.00 C ATOM 104 O PRO A 9 14.535 28.871 -14.128 1.00 0.00 O ATOM 105 CB PRO A 9 13.878 28.509 -11.247 1.00 0.00 C ATOM 106 CG PRO A 9 13.540 27.119 -10.654 1.00 0.00 C ATOM 107 CD PRO A 9 12.092 26.802 -11.073 1.00 0.00 C ATOM 0 HA PRO A 9 12.589 29.786 -12.487 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.905 28.537 -11.611 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.787 29.287 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.227 26.360 -11.029 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.636 27.127 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.013 25.807 -11.510 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.415 26.830 -10.219 1.00 0.00 H new ATOM 115 N GLU A 10 12.904 27.434 -14.438 1.00 0.00 N ATOM 116 CA GLU A 10 13.471 27.014 -15.750 1.00 0.00 C ATOM 117 C GLU A 10 12.340 26.577 -16.684 1.00 0.00 C ATOM 118 O GLU A 10 12.309 25.457 -17.155 1.00 0.00 O ATOM 119 CB GLU A 10 14.434 25.845 -15.536 1.00 0.00 C ATOM 120 CG GLU A 10 15.502 25.856 -16.631 1.00 0.00 C ATOM 121 CD GLU A 10 15.794 24.421 -17.074 1.00 0.00 C ATOM 122 OE1 GLU A 10 16.655 23.801 -16.473 1.00 0.00 O ATOM 123 OE2 GLU A 10 15.150 23.967 -18.006 1.00 0.00 O ATOM 0 H GLU A 10 12.044 26.960 -14.163 1.00 0.00 H new ATOM 0 HA GLU A 10 14.006 27.852 -16.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.903 25.921 -14.555 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.888 24.902 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.161 26.448 -17.480 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.413 26.326 -16.260 1.00 0.00 H new ATOM 130 N ASN A 11 11.412 27.452 -16.959 1.00 0.00 N ATOM 131 CA ASN A 11 10.289 27.082 -17.866 1.00 0.00 C ATOM 132 C ASN A 11 10.001 28.247 -18.821 1.00 0.00 C ATOM 133 O ASN A 11 9.885 29.379 -18.393 1.00 0.00 O ATOM 134 CB ASN A 11 9.039 26.789 -17.035 1.00 0.00 C ATOM 135 CG ASN A 11 8.508 25.397 -17.382 1.00 0.00 C ATOM 136 OD1 ASN A 11 8.850 24.842 -18.408 1.00 0.00 O ATOM 137 ND2 ASN A 11 7.681 24.805 -16.564 1.00 0.00 N ATOM 0 H ASN A 11 11.383 28.405 -16.596 1.00 0.00 H new ATOM 0 HA ASN A 11 10.562 26.197 -18.440 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.275 26.845 -15.972 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.275 27.541 -17.232 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.322 23.876 -16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.394 25.271 -15.703 1.00 0.00 H new ATOM 144 N PRO A 12 9.892 27.939 -20.090 1.00 0.00 N ATOM 145 CA PRO A 12 9.614 28.948 -21.128 1.00 0.00 C ATOM 146 C PRO A 12 8.125 29.305 -21.139 1.00 0.00 C ATOM 147 O PRO A 12 7.749 30.439 -21.363 1.00 0.00 O ATOM 148 CB PRO A 12 10.013 28.243 -22.427 1.00 0.00 C ATOM 149 CG PRO A 12 9.947 26.724 -22.139 1.00 0.00 C ATOM 150 CD PRO A 12 10.036 26.563 -20.609 1.00 0.00 C ATOM 0 HA PRO A 12 10.151 29.884 -20.973 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.338 28.514 -23.239 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.016 28.536 -22.736 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.019 26.297 -22.520 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.766 26.200 -22.632 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.249 25.911 -20.231 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.987 26.122 -20.310 1.00 0.00 H new ATOM 158 N CYS A 13 7.274 28.344 -20.904 1.00 0.00 N ATOM 159 CA CYS A 13 5.811 28.622 -20.905 1.00 0.00 C ATOM 160 C CYS A 13 5.457 29.542 -19.734 1.00 0.00 C ATOM 161 O CYS A 13 4.897 30.603 -19.919 1.00 0.00 O ATOM 162 CB CYS A 13 5.044 27.306 -20.776 1.00 0.00 C ATOM 163 SG CYS A 13 4.983 26.489 -22.390 1.00 0.00 S ATOM 0 H CYS A 13 7.530 27.376 -20.711 1.00 0.00 H new ATOM 0 HA CYS A 13 5.537 29.113 -21.839 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.530 26.659 -20.046 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.034 27.495 -20.413 1.00 0.00 H new ATOM 168 N CYS A 14 5.776 29.147 -18.531 1.00 0.00 N ATOM 169 CA CYS A 14 5.448 30.012 -17.362 1.00 0.00 C ATOM 170 C CYS A 14 6.675 30.831 -16.964 1.00 0.00 C ATOM 171 O CYS A 14 7.713 30.293 -16.630 1.00 0.00 O ATOM 172 CB CYS A 14 5.000 29.146 -16.184 1.00 0.00 C ATOM 173 SG CYS A 14 6.253 27.890 -15.822 1.00 0.00 S ATOM 0 H CYS A 14 6.246 28.270 -18.308 1.00 0.00 H new ATOM 0 HA CYS A 14 4.639 30.689 -17.635 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.835 29.770 -15.306 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.049 28.666 -16.416 1.00 0.00 H new ATOM 178 N ASP A 15 6.561 32.129 -16.996 1.00 0.00 N ATOM 179 CA ASP A 15 7.716 32.991 -16.621 1.00 0.00 C ATOM 180 C ASP A 15 7.897 32.963 -15.102 1.00 0.00 C ATOM 181 O ASP A 15 6.943 33.016 -14.352 1.00 0.00 O ATOM 182 CB ASP A 15 7.448 34.428 -17.074 1.00 0.00 C ATOM 183 CG ASP A 15 8.077 34.656 -18.450 1.00 0.00 C ATOM 184 OD1 ASP A 15 7.471 34.259 -19.431 1.00 0.00 O ATOM 185 OD2 ASP A 15 9.155 35.225 -18.498 1.00 0.00 O ATOM 0 H ASP A 15 5.716 32.631 -17.266 1.00 0.00 H new ATOM 0 HA ASP A 15 8.620 32.620 -17.104 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.375 34.612 -17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.863 35.131 -16.352 1.00 0.00 H new ATOM 190 N ALA A 16 9.116 32.881 -14.643 1.00 0.00 N ATOM 191 CA ALA A 16 9.355 32.852 -13.173 1.00 0.00 C ATOM 192 C ALA A 16 9.279 34.276 -12.620 1.00 0.00 C ATOM 193 O ALA A 16 8.711 34.517 -11.573 1.00 0.00 O ATOM 194 CB ALA A 16 10.742 32.270 -12.894 1.00 0.00 C ATOM 0 H ALA A 16 9.955 32.833 -15.221 1.00 0.00 H new ATOM 0 HA ALA A 16 8.598 32.233 -12.692 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.918 32.248 -11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.798 31.257 -13.291 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.500 32.890 -13.373 1.00 0.00 H new ATOM 200 N ALA A 17 9.845 35.222 -13.318 1.00 0.00 N ATOM 201 CA ALA A 17 9.807 36.631 -12.836 1.00 0.00 C ATOM 202 C ALA A 17 8.355 37.111 -12.773 1.00 0.00 C ATOM 203 O ALA A 17 7.957 37.793 -11.850 1.00 0.00 O ATOM 204 CB ALA A 17 10.595 37.518 -13.800 1.00 0.00 C ATOM 0 H ALA A 17 10.333 35.079 -14.202 1.00 0.00 H new ATOM 0 HA ALA A 17 10.251 36.688 -11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.569 38.550 -13.449 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.629 37.177 -13.846 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.150 37.461 -14.793 1.00 0.00 H new ATOM 210 N THR A 18 7.563 36.762 -13.748 1.00 0.00 N ATOM 211 CA THR A 18 6.139 37.201 -13.742 1.00 0.00 C ATOM 212 C THR A 18 5.271 36.100 -13.129 1.00 0.00 C ATOM 213 O THR A 18 4.121 36.314 -12.798 1.00 0.00 O ATOM 214 CB THR A 18 5.681 37.470 -15.177 1.00 0.00 C ATOM 215 OG1 THR A 18 6.114 36.410 -16.016 1.00 0.00 O ATOM 216 CG2 THR A 18 6.280 38.790 -15.666 1.00 0.00 C ATOM 0 H THR A 18 7.839 36.193 -14.548 1.00 0.00 H new ATOM 0 HA THR A 18 6.042 38.113 -13.153 1.00 0.00 H new ATOM 0 HB THR A 18 4.593 37.535 -15.207 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.067 36.694 -16.953 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.953 38.981 -16.688 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.946 39.602 -15.020 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.368 38.728 -15.638 1.00 0.00 H new ATOM 224 N CYS A 19 5.810 34.922 -12.975 1.00 0.00 N ATOM 225 CA CYS A 19 5.014 33.809 -12.385 1.00 0.00 C ATOM 226 C CYS A 19 3.712 33.639 -13.177 1.00 0.00 C ATOM 227 O CYS A 19 2.643 33.817 -12.657 1.00 0.00 O ATOM 228 CB CYS A 19 4.680 34.141 -10.920 1.00 0.00 C ATOM 229 SG CYS A 19 5.213 32.789 -9.836 1.00 0.00 S ATOM 0 H CYS A 19 6.767 34.682 -13.232 1.00 0.00 H new ATOM 0 HA CYS A 19 5.591 32.885 -12.428 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.174 35.068 -10.628 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.608 34.303 -10.811 1.00 0.00 H new ATOM 234 N LYS A 20 3.784 33.304 -14.433 1.00 0.00 N ATOM 235 CA LYS A 20 2.523 33.122 -15.213 1.00 0.00 C ATOM 236 C LYS A 20 2.863 32.658 -16.633 1.00 0.00 C ATOM 237 O LYS A 20 3.949 32.890 -17.125 1.00 0.00 O ATOM 238 CB LYS A 20 1.741 34.440 -15.245 1.00 0.00 C ATOM 239 CG LYS A 20 0.309 34.213 -14.738 1.00 0.00 C ATOM 240 CD LYS A 20 -0.526 33.556 -15.840 1.00 0.00 C ATOM 241 CE LYS A 20 -1.689 34.477 -16.216 1.00 0.00 C ATOM 242 NZ LYS A 20 -2.850 34.203 -15.322 1.00 0.00 N ATOM 0 H LYS A 20 4.649 33.149 -14.952 1.00 0.00 H new ATOM 0 HA LYS A 20 1.902 32.363 -14.737 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.241 35.184 -14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.718 34.834 -16.261 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.322 33.580 -13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.139 35.163 -14.445 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.095 33.361 -16.714 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.906 32.593 -15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.385 35.520 -16.125 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.972 34.317 -17.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.640 34.829 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.145 33.211 -15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.576 34.377 -14.334 1.00 0.00 H new ATOM 256 N LEU A 21 1.950 32.002 -17.297 1.00 0.00 N ATOM 257 CA LEU A 21 2.237 31.527 -18.682 1.00 0.00 C ATOM 258 C LEU A 21 1.987 32.658 -19.680 1.00 0.00 C ATOM 259 O LEU A 21 0.867 33.081 -19.890 1.00 0.00 O ATOM 260 CB LEU A 21 1.327 30.344 -19.021 1.00 0.00 C ATOM 261 CG LEU A 21 1.251 29.397 -17.824 1.00 0.00 C ATOM 262 CD1 LEU A 21 -0.180 29.374 -17.283 1.00 0.00 C ATOM 263 CD2 LEU A 21 1.651 27.989 -18.265 1.00 0.00 C ATOM 0 H LEU A 21 1.021 31.775 -16.942 1.00 0.00 H new ATOM 0 HA LEU A 21 3.279 31.214 -18.741 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.330 30.701 -19.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.711 29.815 -19.893 1.00 0.00 H new ATOM 0 HG LEU A 21 1.929 29.741 -17.043 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.235 28.699 -16.429 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.467 30.378 -16.971 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.858 29.029 -18.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.598 27.312 -17.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.971 27.645 -19.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.670 28.005 -18.652 1.00 0.00 H new ATOM 275 N ARG A 22 3.023 33.147 -20.305 1.00 0.00 N ATOM 276 CA ARG A 22 2.847 34.244 -21.294 1.00 0.00 C ATOM 277 C ARG A 22 2.276 33.692 -22.613 1.00 0.00 C ATOM 278 O ARG A 22 1.381 34.286 -23.178 1.00 0.00 O ATOM 279 CB ARG A 22 4.193 34.932 -21.553 1.00 0.00 C ATOM 280 CG ARG A 22 4.030 35.970 -22.667 1.00 0.00 C ATOM 281 CD ARG A 22 5.211 35.879 -23.636 1.00 0.00 C ATOM 282 NE ARG A 22 5.504 34.451 -23.940 1.00 0.00 N ATOM 283 CZ ARG A 22 6.740 34.032 -23.961 1.00 0.00 C ATOM 284 NH1 ARG A 22 7.698 34.847 -24.307 1.00 0.00 N ATOM 285 NH2 ARG A 22 7.018 32.800 -23.632 1.00 0.00 N ATOM 0 H ARG A 22 3.984 32.833 -20.172 1.00 0.00 H new ATOM 0 HA ARG A 22 2.144 34.972 -20.889 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.549 35.413 -20.642 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.943 34.193 -21.837 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.095 35.800 -23.201 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.975 36.971 -22.239 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.981 36.417 -24.556 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.089 36.355 -23.200 1.00 0.00 H new ATOM 0 HE ARG A 22 4.741 33.802 -24.131 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.481 35.811 -24.561 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.664 34.520 -24.324 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.269 32.164 -23.358 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.984 32.473 -23.649 1.00 0.00 H new ATOM 299 N PRO A 23 2.801 32.576 -23.076 1.00 0.00 N ATOM 300 CA PRO A 23 2.331 31.960 -24.331 1.00 0.00 C ATOM 301 C PRO A 23 1.011 31.219 -24.101 1.00 0.00 C ATOM 302 O PRO A 23 0.531 31.118 -22.990 1.00 0.00 O ATOM 303 CB PRO A 23 3.450 30.982 -24.698 1.00 0.00 C ATOM 304 CG PRO A 23 4.206 30.673 -23.386 1.00 0.00 C ATOM 305 CD PRO A 23 3.892 31.827 -22.413 1.00 0.00 C ATOM 0 HA PRO A 23 2.137 32.689 -25.118 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.042 30.071 -25.135 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.120 31.418 -25.439 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.885 29.718 -22.970 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.279 30.599 -23.565 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.582 31.452 -21.438 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.765 32.458 -22.249 1.00 0.00 H new ATOM 313 N GLY A 24 0.421 30.702 -25.143 1.00 0.00 N ATOM 314 CA GLY A 24 -0.868 29.971 -24.985 1.00 0.00 C ATOM 315 C GLY A 24 -0.629 28.664 -24.223 1.00 0.00 C ATOM 316 O GLY A 24 -0.523 27.605 -24.808 1.00 0.00 O ATOM 0 H GLY A 24 0.776 30.754 -26.098 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.585 30.591 -24.447 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.300 29.759 -25.963 1.00 0.00 H new ATOM 320 N ALA A 25 -0.549 28.731 -22.922 1.00 0.00 N ATOM 321 CA ALA A 25 -0.321 27.493 -22.125 1.00 0.00 C ATOM 322 C ALA A 25 -1.367 27.406 -21.012 1.00 0.00 C ATOM 323 O ALA A 25 -1.937 28.400 -20.604 1.00 0.00 O ATOM 324 CB ALA A 25 1.080 27.530 -21.511 1.00 0.00 C ATOM 0 H ALA A 25 -0.632 29.589 -22.377 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.407 26.621 -22.774 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.246 26.624 -20.928 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.824 27.592 -22.305 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.170 28.401 -20.861 1.00 0.00 H new ATOM 330 N GLN A 26 -1.627 26.226 -20.518 1.00 0.00 N ATOM 331 CA GLN A 26 -2.639 26.077 -19.434 1.00 0.00 C ATOM 332 C GLN A 26 -1.936 26.070 -18.073 1.00 0.00 C ATOM 333 O GLN A 26 -2.353 26.736 -17.147 1.00 0.00 O ATOM 334 CB GLN A 26 -3.399 24.762 -19.626 1.00 0.00 C ATOM 335 CG GLN A 26 -4.870 25.058 -19.918 1.00 0.00 C ATOM 336 CD GLN A 26 -5.494 23.869 -20.651 1.00 0.00 C ATOM 337 OE1 GLN A 26 -4.893 22.818 -20.750 1.00 0.00 O ATOM 338 NE2 GLN A 26 -6.683 23.992 -21.175 1.00 0.00 N ATOM 0 H GLN A 26 -1.182 25.359 -20.818 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.340 26.911 -19.473 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.962 24.194 -20.447 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.312 24.146 -18.731 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.406 25.247 -18.988 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.957 25.959 -20.525 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.188 24.874 -21.092 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.107 23.206 -21.667 1.00 0.00 H new ATOM 347 N CYS A 27 -0.873 25.323 -17.946 1.00 0.00 N ATOM 348 CA CYS A 27 -0.144 25.276 -16.646 1.00 0.00 C ATOM 349 C CYS A 27 1.355 25.122 -16.909 1.00 0.00 C ATOM 350 O CYS A 27 1.769 24.420 -17.809 1.00 0.00 O ATOM 351 CB CYS A 27 -0.645 24.091 -15.817 1.00 0.00 C ATOM 352 SG CYS A 27 -0.961 22.684 -16.908 1.00 0.00 S ATOM 0 H CYS A 27 -0.478 24.743 -18.686 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.323 26.200 -16.096 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.095 23.822 -15.063 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.556 24.365 -15.285 1.00 0.00 H new ATOM 357 N GLY A 28 2.173 25.778 -16.132 1.00 0.00 N ATOM 358 CA GLY A 28 3.644 25.675 -16.340 1.00 0.00 C ATOM 359 C GLY A 28 4.187 24.451 -15.602 1.00 0.00 C ATOM 360 O GLY A 28 4.986 23.702 -16.130 1.00 0.00 O ATOM 0 H GLY A 28 1.885 26.381 -15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.865 25.597 -17.404 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.136 26.578 -15.977 1.00 0.00 H new ATOM 364 N GLU A 29 3.767 24.241 -14.385 1.00 0.00 N ATOM 365 CA GLU A 29 4.269 23.066 -13.619 1.00 0.00 C ATOM 366 C GLU A 29 3.125 22.455 -12.803 1.00 0.00 C ATOM 367 O GLU A 29 2.118 23.089 -12.557 1.00 0.00 O ATOM 368 CB GLU A 29 5.384 23.518 -12.674 1.00 0.00 C ATOM 369 CG GLU A 29 6.355 22.361 -12.432 1.00 0.00 C ATOM 370 CD GLU A 29 7.425 22.352 -13.525 1.00 0.00 C ATOM 371 OE1 GLU A 29 7.076 22.102 -14.667 1.00 0.00 O ATOM 372 OE2 GLU A 29 8.576 22.595 -13.201 1.00 0.00 O ATOM 0 H GLU A 29 3.099 24.831 -13.889 1.00 0.00 H new ATOM 0 HA GLU A 29 4.656 22.319 -14.312 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.915 24.368 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.959 23.853 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.822 22.464 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.815 21.414 -12.430 1.00 0.00 H new ATOM 379 N GLY A 30 3.272 21.227 -12.384 1.00 0.00 N ATOM 380 CA GLY A 30 2.194 20.574 -11.586 1.00 0.00 C ATOM 381 C GLY A 30 2.378 19.054 -11.624 1.00 0.00 C ATOM 382 O GLY A 30 3.274 18.543 -12.266 1.00 0.00 O ATOM 0 H GLY A 30 4.093 20.647 -12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.224 20.929 -10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.217 20.843 -11.987 1.00 0.00 H new ATOM 386 N LEU A 31 1.537 18.326 -10.938 1.00 0.00 N ATOM 387 CA LEU A 31 1.667 16.841 -10.933 1.00 0.00 C ATOM 388 C LEU A 31 0.958 16.259 -12.159 1.00 0.00 C ATOM 389 O LEU A 31 1.040 15.077 -12.431 1.00 0.00 O ATOM 390 CB LEU A 31 1.024 16.272 -9.665 1.00 0.00 C ATOM 391 CG LEU A 31 2.014 16.360 -8.503 1.00 0.00 C ATOM 392 CD1 LEU A 31 3.139 15.345 -8.713 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.604 17.770 -8.441 1.00 0.00 C ATOM 0 H LEU A 31 0.766 18.696 -10.382 1.00 0.00 H new ATOM 0 HA LEU A 31 2.724 16.575 -10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.117 16.826 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.731 15.235 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 31 1.497 16.141 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.845 15.408 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.719 14.340 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.656 15.563 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.310 17.833 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.121 17.990 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.803 18.493 -8.291 1.00 0.00 H new ATOM 405 N CYS A 32 0.258 17.074 -12.899 1.00 0.00 N ATOM 406 CA CYS A 32 -0.455 16.554 -14.098 1.00 0.00 C ATOM 407 C CYS A 32 -0.452 17.613 -15.202 1.00 0.00 C ATOM 408 O CYS A 32 -1.465 17.885 -15.815 1.00 0.00 O ATOM 409 CB CYS A 32 -1.897 16.213 -13.722 1.00 0.00 C ATOM 410 SG CYS A 32 -1.919 15.375 -12.118 1.00 0.00 S ATOM 0 H CYS A 32 0.149 18.073 -12.726 1.00 0.00 H new ATOM 0 HA CYS A 32 0.051 15.658 -14.459 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.497 17.122 -13.678 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.342 15.574 -14.485 1.00 0.00 H new ATOM 415 N CYS A 33 0.677 18.212 -15.466 1.00 0.00 N ATOM 416 CA CYS A 33 0.736 19.245 -16.537 1.00 0.00 C ATOM 417 C CYS A 33 1.847 18.892 -17.525 1.00 0.00 C ATOM 418 O CYS A 33 3.019 18.956 -17.208 1.00 0.00 O ATOM 419 CB CYS A 33 1.011 20.619 -15.922 1.00 0.00 C ATOM 420 SG CYS A 33 0.869 21.884 -17.207 1.00 0.00 S ATOM 0 H CYS A 33 1.559 18.031 -14.987 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.220 19.275 -17.060 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.303 20.819 -15.118 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.008 20.641 -15.482 1.00 0.00 H new ATOM 425 N GLU A 34 1.489 18.517 -18.722 1.00 0.00 N ATOM 426 CA GLU A 34 2.520 18.158 -19.732 1.00 0.00 C ATOM 427 C GLU A 34 2.368 19.063 -20.955 1.00 0.00 C ATOM 428 O GLU A 34 1.273 19.320 -21.416 1.00 0.00 O ATOM 429 CB GLU A 34 2.337 16.698 -20.150 1.00 0.00 C ATOM 430 CG GLU A 34 2.064 15.841 -18.912 1.00 0.00 C ATOM 431 CD GLU A 34 3.056 14.677 -18.869 1.00 0.00 C ATOM 432 OE1 GLU A 34 4.148 14.834 -19.388 1.00 0.00 O ATOM 433 OE2 GLU A 34 2.706 13.646 -18.317 1.00 0.00 O ATOM 0 H GLU A 34 0.524 18.444 -19.044 1.00 0.00 H new ATOM 0 HA GLU A 34 3.513 18.290 -19.303 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.510 16.612 -20.854 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.230 16.341 -20.662 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.157 16.446 -18.010 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.042 15.462 -18.937 1.00 0.00 H new ATOM 440 N GLN A 35 3.455 19.548 -21.485 1.00 0.00 N ATOM 441 CA GLN A 35 3.366 20.435 -22.677 1.00 0.00 C ATOM 442 C GLN A 35 2.693 21.752 -22.280 1.00 0.00 C ATOM 443 O GLN A 35 1.928 22.321 -23.033 1.00 0.00 O ATOM 444 CB GLN A 35 2.538 19.745 -23.762 1.00 0.00 C ATOM 445 CG GLN A 35 2.992 18.290 -23.900 1.00 0.00 C ATOM 446 CD GLN A 35 2.442 17.704 -25.201 1.00 0.00 C ATOM 447 OE1 GLN A 35 1.301 17.935 -25.550 1.00 0.00 O ATOM 448 NE2 GLN A 35 3.209 16.950 -25.940 1.00 0.00 N ATOM 0 H GLN A 35 4.400 19.369 -21.145 1.00 0.00 H new ATOM 0 HA GLN A 35 4.367 20.638 -23.058 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.479 19.784 -23.507 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.657 20.266 -24.712 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.081 18.236 -23.896 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.641 17.706 -23.049 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.167 16.756 -25.648 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.851 16.555 -26.810 1.00 0.00 H new ATOM 457 N CYS A 36 2.974 22.239 -21.103 1.00 0.00 N ATOM 458 CA CYS A 36 2.352 23.517 -20.656 1.00 0.00 C ATOM 459 C CYS A 36 0.832 23.356 -20.612 1.00 0.00 C ATOM 460 O CYS A 36 0.094 24.322 -20.653 1.00 0.00 O ATOM 461 CB CYS A 36 2.722 24.632 -21.634 1.00 0.00 C ATOM 462 SG CYS A 36 4.500 24.576 -21.962 1.00 0.00 S ATOM 0 H CYS A 36 3.608 21.807 -20.431 1.00 0.00 H new ATOM 0 HA CYS A 36 2.717 23.772 -19.661 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.165 24.515 -22.564 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.448 25.602 -21.218 1.00 0.00 H new ATOM 467 N LYS A 37 0.358 22.144 -20.526 1.00 0.00 N ATOM 468 CA LYS A 37 -1.114 21.920 -20.477 1.00 0.00 C ATOM 469 C LYS A 37 -1.429 20.878 -19.404 1.00 0.00 C ATOM 470 O LYS A 37 -0.548 20.214 -18.897 1.00 0.00 O ATOM 471 CB LYS A 37 -1.600 21.417 -21.836 1.00 0.00 C ATOM 472 CG LYS A 37 -1.851 22.607 -22.764 1.00 0.00 C ATOM 473 CD LYS A 37 -2.472 22.112 -24.072 1.00 0.00 C ATOM 474 CE LYS A 37 -2.007 22.999 -25.229 1.00 0.00 C ATOM 475 NZ LYS A 37 -0.996 22.265 -26.043 1.00 0.00 N ATOM 0 H LYS A 37 0.927 21.298 -20.488 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.619 22.856 -20.238 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.857 20.751 -22.275 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.516 20.838 -21.715 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.516 23.324 -22.282 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.915 23.127 -22.967 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.183 21.077 -24.255 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.559 22.131 -24.000 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.857 23.279 -25.851 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.577 23.923 -24.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.680 22.868 -26.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.181 22.020 -25.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.421 21.395 -26.423 1.00 0.00 H new ATOM 489 N PHE A 38 -2.678 20.722 -19.054 1.00 0.00 N ATOM 490 CA PHE A 38 -3.029 19.713 -18.014 1.00 0.00 C ATOM 491 C PHE A 38 -2.773 18.313 -18.567 1.00 0.00 C ATOM 492 O PHE A 38 -2.277 18.147 -19.663 1.00 0.00 O ATOM 493 CB PHE A 38 -4.506 19.837 -17.636 1.00 0.00 C ATOM 494 CG PHE A 38 -4.861 21.289 -17.424 1.00 0.00 C ATOM 495 CD1 PHE A 38 -4.195 22.036 -16.444 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.858 21.889 -18.203 1.00 0.00 C ATOM 497 CE1 PHE A 38 -4.527 23.381 -16.242 1.00 0.00 C ATOM 498 CE2 PHE A 38 -6.190 23.235 -18.002 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.523 23.980 -17.022 1.00 0.00 C ATOM 0 H PHE A 38 -3.464 21.245 -19.440 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.417 19.886 -17.129 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.129 19.412 -18.423 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.707 19.268 -16.728 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.425 21.574 -15.844 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.371 21.314 -18.959 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.015 23.956 -15.485 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.960 23.697 -18.602 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.777 25.018 -16.868 1.00 0.00 H new ATOM 509 N SER A 39 -3.113 17.302 -17.818 1.00 0.00 N ATOM 510 CA SER A 39 -2.896 15.912 -18.301 1.00 0.00 C ATOM 511 C SER A 39 -4.229 15.339 -18.787 1.00 0.00 C ATOM 512 O SER A 39 -5.048 16.041 -19.347 1.00 0.00 O ATOM 513 CB SER A 39 -2.352 15.059 -17.154 1.00 0.00 C ATOM 514 OG SER A 39 -3.439 14.534 -16.403 1.00 0.00 O ATOM 0 H SER A 39 -3.532 17.379 -16.891 1.00 0.00 H new ATOM 0 HA SER A 39 -2.179 15.910 -19.122 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.741 14.247 -17.548 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.708 15.660 -16.512 1.00 0.00 H new ATOM 0 HG SER A 39 -3.971 15.272 -16.038 1.00 0.00 H new ATOM 520 N ARG A 40 -4.456 14.074 -18.579 1.00 0.00 N ATOM 521 CA ARG A 40 -5.737 13.465 -19.028 1.00 0.00 C ATOM 522 C ARG A 40 -6.537 13.010 -17.805 1.00 0.00 C ATOM 523 O ARG A 40 -6.000 12.842 -16.727 1.00 0.00 O ATOM 524 CB ARG A 40 -5.447 12.262 -19.928 1.00 0.00 C ATOM 525 CG ARG A 40 -5.970 12.540 -21.339 1.00 0.00 C ATOM 526 CD ARG A 40 -4.802 12.541 -22.327 1.00 0.00 C ATOM 527 NE ARG A 40 -5.286 12.969 -23.670 1.00 0.00 N ATOM 528 CZ ARG A 40 -5.721 14.186 -23.850 1.00 0.00 C ATOM 529 NH1 ARG A 40 -4.926 15.200 -23.642 1.00 0.00 N ATOM 530 NH2 ARG A 40 -6.950 14.390 -24.239 1.00 0.00 N ATOM 0 H ARG A 40 -3.809 13.435 -18.117 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.314 14.201 -19.588 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.375 12.067 -19.958 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.922 11.369 -19.522 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.700 11.782 -21.623 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.483 13.502 -21.365 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.019 13.215 -21.980 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.362 11.545 -22.388 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.277 12.310 -24.449 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.965 15.041 -23.339 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.266 16.151 -23.783 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.571 13.598 -24.403 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.289 15.342 -24.379 1.00 0.00 H new ATOM 544 N ALA A 41 -7.813 12.809 -17.964 1.00 0.00 N ATOM 545 CA ALA A 41 -8.648 12.365 -16.812 1.00 0.00 C ATOM 546 C ALA A 41 -8.211 10.964 -16.381 1.00 0.00 C ATOM 547 O ALA A 41 -8.375 10.003 -17.104 1.00 0.00 O ATOM 548 CB ALA A 41 -10.120 12.336 -17.227 1.00 0.00 C ATOM 0 H ALA A 41 -8.316 12.933 -18.842 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.521 13.059 -15.981 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.729 12.011 -16.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.431 13.334 -17.536 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.250 11.642 -18.057 1.00 0.00 H new ATOM 554 N GLY A 42 -7.653 10.844 -15.208 1.00 0.00 N ATOM 555 CA GLY A 42 -7.202 9.507 -14.731 1.00 0.00 C ATOM 556 C GLY A 42 -5.679 9.420 -14.842 1.00 0.00 C ATOM 557 O GLY A 42 -5.126 8.373 -15.113 1.00 0.00 O ATOM 0 H GLY A 42 -7.490 11.614 -14.559 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.513 9.353 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.667 8.720 -15.325 1.00 0.00 H new ATOM 561 N LYS A 43 -4.996 10.512 -14.633 1.00 0.00 N ATOM 562 CA LYS A 43 -3.508 10.488 -14.723 1.00 0.00 C ATOM 563 C LYS A 43 -2.925 10.193 -13.340 1.00 0.00 C ATOM 564 O LYS A 43 -3.166 10.905 -12.390 1.00 0.00 O ATOM 565 CB LYS A 43 -3.004 11.847 -15.218 1.00 0.00 C ATOM 566 CG LYS A 43 -1.496 11.953 -14.980 1.00 0.00 C ATOM 567 CD LYS A 43 -0.776 10.853 -15.761 1.00 0.00 C ATOM 568 CE LYS A 43 0.736 11.054 -15.647 1.00 0.00 C ATOM 569 NZ LYS A 43 1.425 9.736 -15.757 1.00 0.00 N ATOM 0 H LYS A 43 -5.403 11.419 -14.404 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.194 9.713 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.224 11.963 -16.279 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.522 12.651 -14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.136 12.932 -15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.278 11.860 -13.916 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.054 9.874 -15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.079 10.877 -16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.084 11.725 -16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.980 11.525 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.453 9.874 -15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.101 9.110 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.202 9.304 -16.676 1.00 0.00 H new ATOM 583 N ILE A 44 -2.163 9.144 -13.219 1.00 0.00 N ATOM 584 CA ILE A 44 -1.575 8.798 -11.893 1.00 0.00 C ATOM 585 C ILE A 44 -0.700 9.949 -11.388 1.00 0.00 C ATOM 586 O ILE A 44 0.273 10.326 -12.011 1.00 0.00 O ATOM 587 CB ILE A 44 -0.725 7.538 -12.039 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.639 6.327 -12.248 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.113 7.332 -10.776 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.375 6.012 -10.945 1.00 0.00 C ATOM 0 H ILE A 44 -1.921 8.510 -13.980 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.378 8.625 -11.176 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.062 7.648 -12.898 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.356 6.532 -13.043 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.052 5.465 -12.564 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.718 6.432 -10.884 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.765 8.192 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.547 7.225 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.026 5.150 -11.094 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.650 5.789 -10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.975 6.873 -10.649 1.00 0.00 H new ATOM 602 N CYS A 45 -1.044 10.508 -10.258 1.00 0.00 N ATOM 603 CA CYS A 45 -0.242 11.634 -9.698 1.00 0.00 C ATOM 604 C CYS A 45 0.418 11.199 -8.384 1.00 0.00 C ATOM 605 O CYS A 45 1.393 11.780 -7.949 1.00 0.00 O ATOM 606 CB CYS A 45 -1.162 12.824 -9.432 1.00 0.00 C ATOM 607 SG CYS A 45 -2.668 12.250 -8.611 1.00 0.00 S ATOM 0 H CYS A 45 -1.850 10.232 -9.697 1.00 0.00 H new ATOM 0 HA CYS A 45 0.531 11.917 -10.412 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.653 13.559 -8.809 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.413 13.320 -10.370 1.00 0.00 H new ATOM 612 N ARG A 46 -0.105 10.186 -7.747 1.00 0.00 N ATOM 613 CA ARG A 46 0.491 9.720 -6.461 1.00 0.00 C ATOM 614 C ARG A 46 0.328 8.214 -6.338 1.00 0.00 C ATOM 615 O ARG A 46 -0.521 7.610 -6.964 1.00 0.00 O ATOM 616 CB ARG A 46 -0.213 10.406 -5.289 1.00 0.00 C ATOM 617 CG ARG A 46 0.708 11.470 -4.688 1.00 0.00 C ATOM 618 CD ARG A 46 -0.124 12.456 -3.864 1.00 0.00 C ATOM 619 NE ARG A 46 0.779 13.276 -3.011 1.00 0.00 N ATOM 620 CZ ARG A 46 1.192 14.441 -3.431 1.00 0.00 C ATOM 621 NH1 ARG A 46 0.327 15.346 -3.797 1.00 0.00 N ATOM 622 NH2 ARG A 46 2.470 14.697 -3.490 1.00 0.00 N ATOM 0 H ARG A 46 -0.920 9.660 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 46 1.551 9.972 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.142 10.864 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.479 9.670 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.463 10.999 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.238 11.998 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.702 13.101 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.837 11.915 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 46 1.075 12.928 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.672 15.143 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.649 16.256 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.146 13.987 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.793 15.607 -3.818 1.00 0.00 H new ATOM 636 N ILE A 47 1.156 7.603 -5.546 1.00 0.00 N ATOM 637 CA ILE A 47 1.080 6.134 -5.383 1.00 0.00 C ATOM 638 C ILE A 47 1.357 5.773 -3.913 1.00 0.00 C ATOM 639 O ILE A 47 2.497 5.728 -3.495 1.00 0.00 O ATOM 640 CB ILE A 47 2.128 5.502 -6.311 1.00 0.00 C ATOM 641 CG1 ILE A 47 1.480 5.178 -7.658 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.681 4.222 -5.699 1.00 0.00 C ATOM 643 CD1 ILE A 47 0.425 4.088 -7.466 1.00 0.00 C ATOM 0 H ILE A 47 1.886 8.062 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 47 0.090 5.759 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 47 2.947 6.208 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.021 6.073 -8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.238 4.845 -8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.422 3.788 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.148 4.449 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.869 3.511 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.038 3.856 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.897 3.191 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.338 4.438 -6.771 1.00 0.00 H new ATOM 755 N ASP A 54 -4.774 3.973 -6.963 1.00 0.00 N ATOM 756 CA ASP A 54 -3.703 4.995 -7.141 1.00 0.00 C ATOM 757 C ASP A 54 -4.342 6.365 -7.381 1.00 0.00 C ATOM 758 O ASP A 54 -5.299 6.491 -8.119 1.00 0.00 O ATOM 759 CB ASP A 54 -2.841 4.621 -8.350 1.00 0.00 C ATOM 760 CG ASP A 54 -2.334 3.187 -8.192 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.788 2.516 -7.279 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.499 2.783 -8.985 1.00 0.00 O ATOM 0 HA ASP A 54 -3.083 5.032 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.423 4.713 -9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.999 5.308 -8.436 1.00 0.00 H new ATOM 767 N ASP A 55 -3.819 7.391 -6.769 1.00 0.00 N ATOM 768 CA ASP A 55 -4.398 8.750 -6.971 1.00 0.00 C ATOM 769 C ASP A 55 -4.193 9.171 -8.429 1.00 0.00 C ATOM 770 O ASP A 55 -3.095 9.134 -8.945 1.00 0.00 O ATOM 771 CB ASP A 55 -3.694 9.747 -6.048 1.00 0.00 C ATOM 772 CG ASP A 55 -4.097 9.472 -4.599 1.00 0.00 C ATOM 773 OD1 ASP A 55 -3.917 8.349 -4.157 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.580 10.389 -3.955 1.00 0.00 O ATOM 0 H ASP A 55 -3.018 7.348 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.463 8.734 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.613 9.661 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.962 10.767 -6.324 1.00 0.00 H new ATOM 779 N ARG A 56 -5.243 9.566 -9.097 1.00 0.00 N ATOM 780 CA ARG A 56 -5.099 9.980 -10.522 1.00 0.00 C ATOM 781 C ARG A 56 -5.550 11.435 -10.689 1.00 0.00 C ATOM 782 O ARG A 56 -6.230 11.986 -9.845 1.00 0.00 O ATOM 783 CB ARG A 56 -5.960 9.074 -11.404 1.00 0.00 C ATOM 784 CG ARG A 56 -5.097 7.942 -11.966 1.00 0.00 C ATOM 785 CD ARG A 56 -6.000 6.849 -12.540 1.00 0.00 C ATOM 786 NE ARG A 56 -5.174 5.884 -13.320 1.00 0.00 N ATOM 787 CZ ARG A 56 -5.734 5.132 -14.229 1.00 0.00 C ATOM 788 NH1 ARG A 56 -5.934 5.599 -15.431 1.00 0.00 N ATOM 789 NH2 ARG A 56 -6.090 3.911 -13.935 1.00 0.00 N ATOM 0 H ARG A 56 -6.189 9.620 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.054 9.893 -10.818 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.786 8.663 -10.824 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.398 9.651 -12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.435 8.326 -12.742 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.463 7.530 -11.181 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.520 6.331 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.764 7.291 -13.180 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.172 5.811 -13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.653 6.552 -15.661 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.371 5.011 -16.140 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.931 3.545 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.528 3.323 -14.644 1.00 0.00 H new ATOM 803 N CYS A 57 -5.174 12.060 -11.772 1.00 0.00 N ATOM 804 CA CYS A 57 -5.573 13.479 -12.002 1.00 0.00 C ATOM 805 C CYS A 57 -6.960 13.522 -12.648 1.00 0.00 C ATOM 806 O CYS A 57 -7.384 12.583 -13.293 1.00 0.00 O ATOM 807 CB CYS A 57 -4.561 14.147 -12.935 1.00 0.00 C ATOM 808 SG CYS A 57 -2.886 13.637 -12.474 1.00 0.00 S ATOM 0 H CYS A 57 -4.605 11.647 -12.511 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.598 14.007 -11.049 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.765 13.869 -13.969 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.653 15.231 -12.872 1.00 0.00 H new ATOM 813 N THR A 58 -7.666 14.609 -12.480 1.00 0.00 N ATOM 814 CA THR A 58 -9.025 14.720 -13.083 1.00 0.00 C ATOM 815 C THR A 58 -8.906 15.074 -14.567 1.00 0.00 C ATOM 816 O THR A 58 -9.890 15.324 -15.235 1.00 0.00 O ATOM 817 CB THR A 58 -9.816 15.816 -12.362 1.00 0.00 C ATOM 818 OG1 THR A 58 -9.123 17.051 -12.474 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.977 15.451 -10.886 1.00 0.00 C ATOM 0 H THR A 58 -7.359 15.425 -11.951 1.00 0.00 H new ATOM 0 HA THR A 58 -9.542 13.766 -12.979 1.00 0.00 H new ATOM 0 HB THR A 58 -10.802 15.909 -12.818 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.434 17.665 -11.776 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.540 16.233 -10.377 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.512 14.505 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.994 15.354 -10.426 1.00 0.00 H new ATOM 827 N GLY A 59 -7.711 15.098 -15.092 1.00 0.00 N ATOM 828 CA GLY A 59 -7.539 15.436 -16.533 1.00 0.00 C ATOM 829 C GLY A 59 -7.724 16.943 -16.735 1.00 0.00 C ATOM 830 O GLY A 59 -7.628 17.447 -17.835 1.00 0.00 O ATOM 0 H GLY A 59 -6.848 14.898 -14.586 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.548 15.133 -16.872 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.264 14.887 -17.134 1.00 0.00 H new ATOM 834 N GLN A 60 -7.991 17.665 -15.681 1.00 0.00 N ATOM 835 CA GLN A 60 -8.183 19.136 -15.815 1.00 0.00 C ATOM 836 C GLN A 60 -7.356 19.862 -14.750 1.00 0.00 C ATOM 837 O GLN A 60 -6.860 20.949 -14.971 1.00 0.00 O ATOM 838 CB GLN A 60 -9.663 19.477 -15.630 1.00 0.00 C ATOM 839 CG GLN A 60 -10.242 18.639 -14.487 1.00 0.00 C ATOM 840 CD GLN A 60 -11.758 18.835 -14.429 1.00 0.00 C ATOM 841 OE1 GLN A 60 -12.495 17.893 -14.220 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.257 20.028 -14.604 1.00 0.00 N ATOM 0 H GLN A 60 -8.084 17.299 -14.733 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.857 19.454 -16.805 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.778 20.539 -15.411 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.210 19.281 -16.552 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.006 17.586 -14.638 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.790 18.934 -13.540 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.638 20.819 -14.780 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.266 20.169 -14.565 1.00 0.00 H new ATOM 851 N SER A 61 -7.205 19.272 -13.596 1.00 0.00 N ATOM 852 CA SER A 61 -6.413 19.934 -12.521 1.00 0.00 C ATOM 853 C SER A 61 -4.925 19.636 -12.724 1.00 0.00 C ATOM 854 O SER A 61 -4.486 18.509 -12.600 1.00 0.00 O ATOM 855 CB SER A 61 -6.857 19.401 -11.160 1.00 0.00 C ATOM 856 OG SER A 61 -6.297 20.208 -10.133 1.00 0.00 O ATOM 0 H SER A 61 -7.595 18.362 -13.351 1.00 0.00 H new ATOM 0 HA SER A 61 -6.576 21.011 -12.561 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.945 19.408 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.537 18.366 -11.040 1.00 0.00 H new ATOM 0 HG SER A 61 -6.582 19.869 -9.259 1.00 0.00 H new ATOM 862 N ALA A 62 -4.146 20.636 -13.031 1.00 0.00 N ATOM 863 CA ALA A 62 -2.688 20.407 -13.235 1.00 0.00 C ATOM 864 C ALA A 62 -2.094 19.783 -11.970 1.00 0.00 C ATOM 865 O ALA A 62 -1.171 18.996 -12.029 1.00 0.00 O ATOM 866 CB ALA A 62 -1.995 21.741 -13.521 1.00 0.00 C ATOM 0 H ALA A 62 -4.455 21.601 -13.149 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.538 19.735 -14.080 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.928 21.572 -13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.421 22.187 -14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.141 22.415 -12.677 1.00 0.00 H new ATOM 872 N ASP A 63 -2.620 20.127 -10.825 1.00 0.00 N ATOM 873 CA ASP A 63 -2.089 19.552 -9.557 1.00 0.00 C ATOM 874 C ASP A 63 -2.868 18.281 -9.216 1.00 0.00 C ATOM 875 O ASP A 63 -3.838 17.943 -9.865 1.00 0.00 O ATOM 876 CB ASP A 63 -2.250 20.569 -8.427 1.00 0.00 C ATOM 877 CG ASP A 63 -1.724 21.931 -8.884 1.00 0.00 C ATOM 878 OD1 ASP A 63 -0.827 21.950 -9.711 1.00 0.00 O ATOM 879 OD2 ASP A 63 -2.226 22.931 -8.398 1.00 0.00 O ATOM 0 H ASP A 63 -3.394 20.781 -10.714 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.033 19.313 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.299 20.650 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.706 20.235 -7.544 1.00 0.00 H new ATOM 884 N CYS A 64 -2.454 17.571 -8.203 1.00 0.00 N ATOM 885 CA CYS A 64 -3.175 16.321 -7.830 1.00 0.00 C ATOM 886 C CYS A 64 -3.778 16.468 -6.438 1.00 0.00 C ATOM 887 O CYS A 64 -3.128 16.217 -5.443 1.00 0.00 O ATOM 888 CB CYS A 64 -2.205 15.140 -7.854 1.00 0.00 C ATOM 889 SG CYS A 64 -3.040 13.665 -7.220 1.00 0.00 S ATOM 0 H CYS A 64 -1.650 17.801 -7.619 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.976 16.141 -8.547 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.854 14.964 -8.871 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.327 15.364 -7.248 1.00 0.00 H new ATOM 894 N PRO A 65 -5.024 16.859 -6.422 1.00 0.00 N ATOM 895 CA PRO A 65 -5.781 17.042 -5.178 1.00 0.00 C ATOM 896 C PRO A 65 -6.213 15.686 -4.613 1.00 0.00 C ATOM 897 O PRO A 65 -5.658 14.658 -4.944 1.00 0.00 O ATOM 898 CB PRO A 65 -6.995 17.858 -5.621 1.00 0.00 C ATOM 899 CG PRO A 65 -7.157 17.636 -7.138 1.00 0.00 C ATOM 900 CD PRO A 65 -5.795 17.160 -7.651 1.00 0.00 C ATOM 0 HA PRO A 65 -5.207 17.530 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.890 17.539 -5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.851 18.915 -5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.930 16.895 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.459 18.557 -7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.895 16.278 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.305 17.928 -8.250 1.00 0.00 H new