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 Set 1.1: A 35 GLN : amide:sc= -0.547 K(o=-1.9,f=-4) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -171:sc= -1.39 (180deg=-0.0912) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 170:sc= 0.015 USER MOD Single : A 11 ASN : amide:sc= -0.734 K(o=-0.73,f=-3.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.94) 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= -0.401 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -2.160 33.511 -0.637 1.00 0.00 N ATOM 33 CA GLU A 3 -1.153 34.481 -1.154 1.00 0.00 C ATOM 34 C GLU A 3 0.096 33.731 -1.606 1.00 0.00 C ATOM 35 O GLU A 3 0.761 34.120 -2.546 1.00 0.00 O ATOM 36 CB GLU A 3 -0.784 35.473 -0.051 1.00 0.00 C ATOM 37 CG GLU A 3 -1.446 36.822 -0.334 1.00 0.00 C ATOM 38 CD GLU A 3 -0.369 37.866 -0.629 1.00 0.00 C ATOM 39 OE1 GLU A 3 0.276 38.306 0.309 1.00 0.00 O ATOM 40 OE2 GLU A 3 -0.206 38.208 -1.789 1.00 0.00 O ATOM 0 HA GLU A 3 -1.575 35.022 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.109 35.093 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.298 35.591 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.125 36.735 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.044 37.133 0.523 1.00 0.00 H new ATOM 47 N CYS A 4 0.417 32.658 -0.950 1.00 0.00 N ATOM 48 CA CYS A 4 1.623 31.883 -1.347 1.00 0.00 C ATOM 49 C CYS A 4 1.206 30.743 -2.278 1.00 0.00 C ATOM 50 O CYS A 4 0.586 29.784 -1.865 1.00 0.00 O ATOM 51 CB CYS A 4 2.306 31.307 -0.105 1.00 0.00 C ATOM 52 SG CYS A 4 3.041 32.648 0.869 1.00 0.00 S ATOM 0 H CYS A 4 -0.101 32.282 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 4 2.322 32.542 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.582 30.761 0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.077 30.595 -0.400 1.00 0.00 H new ATOM 57 N ASP A 5 1.537 30.848 -3.535 1.00 0.00 N ATOM 58 CA ASP A 5 1.157 29.777 -4.496 1.00 0.00 C ATOM 59 C ASP A 5 2.152 28.620 -4.396 1.00 0.00 C ATOM 60 O ASP A 5 1.862 27.504 -4.774 1.00 0.00 O ATOM 61 CB ASP A 5 1.171 30.348 -5.916 1.00 0.00 C ATOM 62 CG ASP A 5 -0.034 29.814 -6.694 1.00 0.00 C ATOM 63 OD1 ASP A 5 -1.097 30.400 -6.575 1.00 0.00 O ATOM 64 OD2 ASP A 5 0.127 28.828 -7.394 1.00 0.00 O ATOM 0 H ASP A 5 2.054 31.629 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 5 0.158 29.410 -4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.141 31.437 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.096 30.070 -6.422 1.00 0.00 H new ATOM 69 N CYS A 6 3.327 28.876 -3.885 1.00 0.00 N ATOM 70 CA CYS A 6 4.338 27.787 -3.760 1.00 0.00 C ATOM 71 C CYS A 6 4.939 27.805 -2.353 1.00 0.00 C ATOM 72 O CYS A 6 4.705 28.711 -1.579 1.00 0.00 O ATOM 73 CB CYS A 6 5.450 28.001 -4.789 1.00 0.00 C ATOM 74 SG CYS A 6 6.406 29.470 -4.344 1.00 0.00 S ATOM 0 H CYS A 6 3.630 29.790 -3.549 1.00 0.00 H new ATOM 0 HA CYS A 6 3.857 26.825 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.101 27.127 -4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.022 28.120 -5.784 1.00 0.00 H new ATOM 79 N SER A 7 5.716 26.812 -2.016 1.00 0.00 N ATOM 80 CA SER A 7 6.334 26.776 -0.660 1.00 0.00 C ATOM 81 C SER A 7 7.810 26.393 -0.782 1.00 0.00 C ATOM 82 O SER A 7 8.310 25.568 -0.044 1.00 0.00 O ATOM 83 CB SER A 7 5.608 25.745 0.207 1.00 0.00 C ATOM 84 OG SER A 7 4.227 26.076 0.273 1.00 0.00 O ATOM 0 H SER A 7 5.950 26.024 -2.621 1.00 0.00 H new ATOM 0 HA SER A 7 6.251 27.760 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.735 24.747 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.038 25.728 1.208 1.00 0.00 H new ATOM 0 HG SER A 7 3.759 25.417 0.826 1.00 0.00 H new ATOM 90 N SER A 8 8.511 26.987 -1.709 1.00 0.00 N ATOM 91 CA SER A 8 9.955 26.658 -1.879 1.00 0.00 C ATOM 92 C SER A 8 10.744 27.949 -2.131 1.00 0.00 C ATOM 93 O SER A 8 10.267 28.841 -2.805 1.00 0.00 O ATOM 94 CB SER A 8 10.127 25.718 -3.073 1.00 0.00 C ATOM 95 OG SER A 8 8.900 25.637 -3.786 1.00 0.00 O ATOM 0 H SER A 8 8.146 27.686 -2.356 1.00 0.00 H new ATOM 0 HA SER A 8 10.326 26.172 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.918 26.084 -3.728 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.428 24.728 -2.731 1.00 0.00 H new ATOM 0 HG SER A 8 9.045 25.169 -4.635 1.00 0.00 H new ATOM 101 N PRO A 9 11.929 28.012 -1.577 1.00 0.00 N ATOM 102 CA PRO A 9 12.812 29.182 -1.720 1.00 0.00 C ATOM 103 C PRO A 9 13.524 29.157 -3.077 1.00 0.00 C ATOM 104 O PRO A 9 14.072 30.147 -3.518 1.00 0.00 O ATOM 105 CB PRO A 9 13.816 29.013 -0.577 1.00 0.00 C ATOM 106 CG PRO A 9 13.813 27.509 -0.212 1.00 0.00 C ATOM 107 CD PRO A 9 12.497 26.923 -0.756 1.00 0.00 C ATOM 0 HA PRO A 9 12.276 30.130 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.811 29.336 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.533 29.622 0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.673 27.003 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.880 27.373 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.675 26.027 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.823 26.640 0.052 1.00 0.00 H new ATOM 115 N GLU A 10 13.519 28.035 -3.742 1.00 0.00 N ATOM 116 CA GLU A 10 14.193 27.952 -5.068 1.00 0.00 C ATOM 117 C GLU A 10 13.133 27.876 -6.166 1.00 0.00 C ATOM 118 O GLU A 10 13.105 26.954 -6.956 1.00 0.00 O ATOM 119 CB GLU A 10 15.074 26.703 -5.120 1.00 0.00 C ATOM 120 CG GLU A 10 16.436 27.064 -5.717 1.00 0.00 C ATOM 121 CD GLU A 10 16.992 25.862 -6.483 1.00 0.00 C ATOM 122 OE1 GLU A 10 16.519 24.763 -6.245 1.00 0.00 O ATOM 123 OE2 GLU A 10 17.882 26.061 -7.294 1.00 0.00 O ATOM 0 H GLU A 10 13.077 27.172 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 10 14.814 28.835 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.201 26.293 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.594 25.931 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.337 27.920 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.126 27.355 -4.925 1.00 0.00 H new ATOM 130 N ASN A 11 12.257 28.839 -6.215 1.00 0.00 N ATOM 131 CA ASN A 11 11.191 28.830 -7.253 1.00 0.00 C ATOM 132 C ASN A 11 11.141 30.209 -7.929 1.00 0.00 C ATOM 133 O ASN A 11 10.892 31.202 -7.275 1.00 0.00 O ATOM 134 CB ASN A 11 9.849 28.534 -6.581 1.00 0.00 C ATOM 135 CG ASN A 11 8.847 28.037 -7.624 1.00 0.00 C ATOM 136 OD1 ASN A 11 8.579 28.713 -8.598 1.00 0.00 O ATOM 137 ND2 ASN A 11 8.277 26.873 -7.460 1.00 0.00 N ATOM 0 H ASN A 11 12.234 29.635 -5.578 1.00 0.00 H new ATOM 0 HA ASN A 11 11.399 28.066 -8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.980 27.783 -5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.468 29.433 -6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.607 26.532 -8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.502 26.306 -6.643 1.00 0.00 H new ATOM 144 N PRO A 12 11.394 30.234 -9.216 1.00 0.00 N ATOM 145 CA PRO A 12 11.399 31.486 -9.999 1.00 0.00 C ATOM 146 C PRO A 12 9.974 31.947 -10.322 1.00 0.00 C ATOM 147 O PRO A 12 9.639 33.104 -10.166 1.00 0.00 O ATOM 148 CB PRO A 12 12.151 31.103 -11.277 1.00 0.00 C ATOM 149 CG PRO A 12 12.034 29.565 -11.411 1.00 0.00 C ATOM 150 CD PRO A 12 11.696 29.025 -10.010 1.00 0.00 C ATOM 0 HA PRO A 12 11.860 32.316 -9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.720 31.602 -12.145 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.196 31.409 -11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.257 29.297 -12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.967 29.136 -11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.844 28.346 -10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.532 28.469 -9.586 1.00 0.00 H new ATOM 158 N CYS A 13 9.136 31.059 -10.778 1.00 0.00 N ATOM 159 CA CYS A 13 7.741 31.459 -11.118 1.00 0.00 C ATOM 160 C CYS A 13 7.118 32.228 -9.952 1.00 0.00 C ATOM 161 O CYS A 13 6.774 33.387 -10.076 1.00 0.00 O ATOM 162 CB CYS A 13 6.908 30.211 -11.411 1.00 0.00 C ATOM 163 SG CYS A 13 6.235 30.325 -13.086 1.00 0.00 S ATOM 0 H CYS A 13 9.355 30.075 -10.930 1.00 0.00 H new ATOM 0 HA CYS A 13 7.759 32.101 -11.999 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.524 29.317 -11.314 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.099 30.121 -10.686 1.00 0.00 H new ATOM 168 N CYS A 14 6.962 31.597 -8.822 1.00 0.00 N ATOM 169 CA CYS A 14 6.354 32.300 -7.658 1.00 0.00 C ATOM 170 C CYS A 14 7.420 33.137 -6.949 1.00 0.00 C ATOM 171 O CYS A 14 8.308 32.613 -6.305 1.00 0.00 O ATOM 172 CB CYS A 14 5.771 31.272 -6.687 1.00 0.00 C ATOM 173 SG CYS A 14 7.086 30.169 -6.113 1.00 0.00 S ATOM 0 H CYS A 14 7.229 30.627 -8.654 1.00 0.00 H new ATOM 0 HA CYS A 14 5.557 32.957 -8.007 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.310 31.778 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.987 30.696 -7.178 1.00 0.00 H new ATOM 178 N ASP A 15 7.336 34.435 -7.058 1.00 0.00 N ATOM 179 CA ASP A 15 8.341 35.304 -6.386 1.00 0.00 C ATOM 180 C ASP A 15 8.426 34.921 -4.908 1.00 0.00 C ATOM 181 O ASP A 15 7.430 34.636 -4.275 1.00 0.00 O ATOM 182 CB ASP A 15 7.915 36.767 -6.514 1.00 0.00 C ATOM 183 CG ASP A 15 8.168 37.248 -7.945 1.00 0.00 C ATOM 184 OD1 ASP A 15 7.362 36.933 -8.806 1.00 0.00 O ATOM 185 OD2 ASP A 15 9.163 37.922 -8.155 1.00 0.00 O ATOM 0 H ASP A 15 6.615 34.930 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 15 9.316 35.171 -6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.859 36.873 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.473 37.382 -5.808 1.00 0.00 H new ATOM 190 N ALA A 16 9.609 34.902 -4.357 1.00 0.00 N ATOM 191 CA ALA A 16 9.756 34.529 -2.921 1.00 0.00 C ATOM 192 C ALA A 16 9.231 35.662 -2.036 1.00 0.00 C ATOM 193 O ALA A 16 8.658 35.430 -0.991 1.00 0.00 O ATOM 194 CB ALA A 16 11.233 34.279 -2.609 1.00 0.00 C ATOM 0 H ALA A 16 10.479 35.128 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 16 9.183 33.623 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.342 34.006 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.605 33.468 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.806 35.184 -2.810 1.00 0.00 H new ATOM 200 N ALA A 17 9.425 36.886 -2.445 1.00 0.00 N ATOM 201 CA ALA A 17 8.938 38.028 -1.622 1.00 0.00 C ATOM 202 C ALA A 17 7.421 37.919 -1.442 1.00 0.00 C ATOM 203 O ALA A 17 6.883 38.276 -0.414 1.00 0.00 O ATOM 204 CB ALA A 17 9.276 39.344 -2.327 1.00 0.00 C ATOM 0 H ALA A 17 9.898 37.144 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 17 9.421 38.004 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.920 40.181 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.356 39.422 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.793 39.368 -3.304 1.00 0.00 H new ATOM 210 N THR A 18 6.728 37.432 -2.436 1.00 0.00 N ATOM 211 CA THR A 18 5.247 37.305 -2.322 1.00 0.00 C ATOM 212 C THR A 18 4.836 35.841 -2.509 1.00 0.00 C ATOM 213 O THR A 18 3.668 35.531 -2.637 1.00 0.00 O ATOM 214 CB THR A 18 4.580 38.163 -3.399 1.00 0.00 C ATOM 215 OG1 THR A 18 5.192 37.902 -4.654 1.00 0.00 O ATOM 216 CG2 THR A 18 4.743 39.643 -3.048 1.00 0.00 C ATOM 0 H THR A 18 7.124 37.117 -3.322 1.00 0.00 H new ATOM 0 HA THR A 18 4.931 37.644 -1.335 1.00 0.00 H new ATOM 0 HB THR A 18 3.519 37.920 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.765 38.449 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.268 40.254 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.274 39.842 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.803 39.889 -2.994 1.00 0.00 H new ATOM 224 N CYS A 19 5.790 34.943 -2.529 1.00 0.00 N ATOM 225 CA CYS A 19 5.478 33.490 -2.706 1.00 0.00 C ATOM 226 C CYS A 19 4.333 33.314 -3.708 1.00 0.00 C ATOM 227 O CYS A 19 3.497 32.446 -3.559 1.00 0.00 O ATOM 228 CB CYS A 19 5.095 32.856 -1.358 1.00 0.00 C ATOM 229 SG CYS A 19 3.877 33.885 -0.495 1.00 0.00 S ATOM 0 H CYS A 19 6.782 35.157 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 19 6.367 32.989 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.687 31.859 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.984 32.739 -0.739 1.00 0.00 H new ATOM 234 N LYS A 20 4.283 34.127 -4.727 1.00 0.00 N ATOM 235 CA LYS A 20 3.181 33.993 -5.723 1.00 0.00 C ATOM 236 C LYS A 20 3.735 34.134 -7.143 1.00 0.00 C ATOM 237 O LYS A 20 4.710 34.822 -7.376 1.00 0.00 O ATOM 238 CB LYS A 20 2.139 35.086 -5.473 1.00 0.00 C ATOM 239 CG LYS A 20 0.775 34.446 -5.210 1.00 0.00 C ATOM 240 CD LYS A 20 0.136 34.038 -6.539 1.00 0.00 C ATOM 241 CE LYS A 20 -0.950 35.046 -6.915 1.00 0.00 C ATOM 242 NZ LYS A 20 -1.908 34.414 -7.866 1.00 0.00 N ATOM 0 H LYS A 20 4.952 34.874 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 20 2.721 33.011 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.436 35.697 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.080 35.750 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.889 33.574 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.128 35.148 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.894 33.996 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.293 33.039 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.476 35.380 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.500 35.929 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.647 35.100 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.400 34.116 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.346 33.584 -7.417 1.00 0.00 H new ATOM 256 N LEU A 21 3.116 33.488 -8.095 1.00 0.00 N ATOM 257 CA LEU A 21 3.599 33.584 -9.502 1.00 0.00 C ATOM 258 C LEU A 21 3.357 35.003 -10.021 1.00 0.00 C ATOM 259 O LEU A 21 2.237 35.465 -10.108 1.00 0.00 O ATOM 260 CB LEU A 21 2.849 32.573 -10.374 1.00 0.00 C ATOM 261 CG LEU A 21 2.560 31.306 -9.559 1.00 0.00 C ATOM 262 CD1 LEU A 21 1.057 31.179 -9.315 1.00 0.00 C ATOM 263 CD2 LEU A 21 3.049 30.077 -10.327 1.00 0.00 C ATOM 0 H LEU A 21 2.296 32.897 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 21 4.665 33.362 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.916 33.008 -10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.443 32.324 -11.253 1.00 0.00 H new ATOM 0 HG LEU A 21 3.080 31.372 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.857 30.277 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.703 32.050 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.537 31.119 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.842 29.179 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.532 30.017 -11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.122 30.159 -10.499 1.00 0.00 H new ATOM 275 N ARG A 22 4.409 35.700 -10.352 1.00 0.00 N ATOM 276 CA ARG A 22 4.268 37.098 -10.851 1.00 0.00 C ATOM 277 C ARG A 22 3.758 37.104 -12.305 1.00 0.00 C ATOM 278 O ARG A 22 2.813 37.801 -12.615 1.00 0.00 O ATOM 279 CB ARG A 22 5.636 37.794 -10.745 1.00 0.00 C ATOM 280 CG ARG A 22 5.780 38.885 -11.811 1.00 0.00 C ATOM 281 CD ARG A 22 7.181 39.491 -11.722 1.00 0.00 C ATOM 282 NE ARG A 22 7.725 39.697 -13.093 1.00 0.00 N ATOM 283 CZ ARG A 22 8.467 38.776 -13.644 1.00 0.00 C ATOM 284 NH1 ARG A 22 9.434 38.225 -12.963 1.00 0.00 N ATOM 285 NH2 ARG A 22 8.240 38.404 -14.874 1.00 0.00 N ATOM 0 H ARG A 22 5.368 35.358 -10.298 1.00 0.00 H new ATOM 0 HA ARG A 22 3.538 37.636 -10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.749 38.232 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.432 37.059 -10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.614 38.465 -12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.026 39.658 -11.662 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.144 40.441 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.838 38.832 -11.155 1.00 0.00 H new ATOM 0 HE ARG A 22 7.518 40.557 -13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.609 38.514 -12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.015 37.505 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.482 38.833 -15.405 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.820 37.684 -15.304 1.00 0.00 H new ATOM 299 N PRO A 23 4.397 36.339 -13.156 1.00 0.00 N ATOM 300 CA PRO A 23 4.016 36.261 -14.579 1.00 0.00 C ATOM 301 C PRO A 23 2.725 35.452 -14.759 1.00 0.00 C ATOM 302 O PRO A 23 2.176 34.919 -13.815 1.00 0.00 O ATOM 303 CB PRO A 23 5.210 35.564 -15.236 1.00 0.00 C ATOM 304 CG PRO A 23 5.941 34.798 -14.110 1.00 0.00 C ATOM 305 CD PRO A 23 5.544 35.481 -12.789 1.00 0.00 C ATOM 0 HA PRO A 23 3.809 37.237 -15.018 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.879 34.881 -16.019 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.873 36.290 -15.706 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.653 33.747 -14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.021 34.832 -14.255 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.268 34.750 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.367 36.068 -12.381 1.00 0.00 H new ATOM 313 N GLY A 24 2.230 35.376 -15.966 1.00 0.00 N ATOM 314 CA GLY A 24 0.967 34.624 -16.216 1.00 0.00 C ATOM 315 C GLY A 24 1.182 33.128 -15.982 1.00 0.00 C ATOM 316 O GLY A 24 1.077 32.326 -16.889 1.00 0.00 O ATOM 0 H GLY A 24 2.648 35.804 -16.792 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.181 34.992 -15.557 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.631 34.794 -17.239 1.00 0.00 H new ATOM 320 N ALA A 25 1.469 32.743 -14.769 1.00 0.00 N ATOM 321 CA ALA A 25 1.672 31.296 -14.476 1.00 0.00 C ATOM 322 C ALA A 25 0.414 30.746 -13.802 1.00 0.00 C ATOM 323 O ALA A 25 -0.531 31.468 -13.553 1.00 0.00 O ATOM 324 CB ALA A 25 2.872 31.127 -13.542 1.00 0.00 C ATOM 0 H ALA A 25 1.572 33.367 -13.969 1.00 0.00 H new ATOM 0 HA ALA A 25 1.861 30.753 -15.402 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.020 30.069 -13.328 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.765 31.529 -14.021 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.687 31.663 -12.611 1.00 0.00 H new ATOM 330 N GLN A 26 0.388 29.477 -13.505 1.00 0.00 N ATOM 331 CA GLN A 26 -0.816 28.896 -12.849 1.00 0.00 C ATOM 332 C GLN A 26 -0.434 28.357 -11.472 1.00 0.00 C ATOM 333 O GLN A 26 -1.105 28.605 -10.489 1.00 0.00 O ATOM 334 CB GLN A 26 -1.368 27.759 -13.711 1.00 0.00 C ATOM 335 CG GLN A 26 -2.887 27.898 -13.829 1.00 0.00 C ATOM 336 CD GLN A 26 -3.228 28.755 -15.048 1.00 0.00 C ATOM 337 OE1 GLN A 26 -2.663 29.814 -15.239 1.00 0.00 O ATOM 338 NE2 GLN A 26 -4.134 28.339 -15.891 1.00 0.00 N ATOM 0 H GLN A 26 1.146 28.819 -13.687 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.578 29.667 -12.737 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.912 27.785 -14.701 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.114 26.796 -13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.347 26.914 -13.923 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.292 28.354 -12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.609 27.450 -15.732 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.367 28.903 -16.709 1.00 0.00 H new ATOM 347 N CYS A 27 0.640 27.621 -11.390 1.00 0.00 N ATOM 348 CA CYS A 27 1.064 27.068 -10.074 1.00 0.00 C ATOM 349 C CYS A 27 2.594 27.011 -10.020 1.00 0.00 C ATOM 350 O CYS A 27 3.244 26.566 -10.945 1.00 0.00 O ATOM 351 CB CYS A 27 0.457 25.662 -9.906 1.00 0.00 C ATOM 352 SG CYS A 27 1.425 24.670 -8.735 1.00 0.00 S ATOM 0 H CYS A 27 1.242 27.379 -12.177 1.00 0.00 H new ATOM 0 HA CYS A 27 0.712 27.704 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.571 25.746 -9.554 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.423 25.159 -10.872 1.00 0.00 H new ATOM 357 N GLY A 28 3.171 27.461 -8.939 1.00 0.00 N ATOM 358 CA GLY A 28 4.655 27.434 -8.819 1.00 0.00 C ATOM 359 C GLY A 28 5.104 26.057 -8.334 1.00 0.00 C ATOM 360 O GLY A 28 6.099 25.525 -8.787 1.00 0.00 O ATOM 0 H GLY A 28 2.678 27.846 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.112 27.658 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.988 28.203 -8.122 1.00 0.00 H new ATOM 364 N GLU A 29 4.386 25.474 -7.416 1.00 0.00 N ATOM 365 CA GLU A 29 4.784 24.133 -6.908 1.00 0.00 C ATOM 366 C GLU A 29 3.538 23.278 -6.662 1.00 0.00 C ATOM 367 O GLU A 29 2.473 23.782 -6.367 1.00 0.00 O ATOM 368 CB GLU A 29 5.558 24.299 -5.601 1.00 0.00 C ATOM 369 CG GLU A 29 5.816 22.925 -4.989 1.00 0.00 C ATOM 370 CD GLU A 29 7.177 22.922 -4.290 1.00 0.00 C ATOM 371 OE1 GLU A 29 8.175 23.027 -4.983 1.00 0.00 O ATOM 372 OE2 GLU A 29 7.197 22.814 -3.075 1.00 0.00 O ATOM 0 H GLU A 29 3.543 25.867 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 29 5.414 23.638 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.503 24.810 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.992 24.919 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.029 22.680 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.793 22.160 -5.765 1.00 0.00 H new ATOM 379 N GLY A 30 3.668 21.984 -6.780 1.00 0.00 N ATOM 380 CA GLY A 30 2.497 21.087 -6.555 1.00 0.00 C ATOM 381 C GLY A 30 2.774 19.725 -7.198 1.00 0.00 C ATOM 382 O GLY A 30 3.785 19.529 -7.843 1.00 0.00 O ATOM 0 H GLY A 30 4.537 21.508 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.315 20.968 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.598 21.529 -6.984 1.00 0.00 H new ATOM 386 N LEU A 31 1.887 18.781 -7.028 1.00 0.00 N ATOM 387 CA LEU A 31 2.109 17.437 -7.633 1.00 0.00 C ATOM 388 C LEU A 31 1.659 17.455 -9.095 1.00 0.00 C ATOM 389 O LEU A 31 1.852 16.502 -9.824 1.00 0.00 O ATOM 390 CB LEU A 31 1.300 16.386 -6.868 1.00 0.00 C ATOM 391 CG LEU A 31 2.162 15.785 -5.757 1.00 0.00 C ATOM 392 CD1 LEU A 31 1.385 14.673 -5.051 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.440 15.206 -6.366 1.00 0.00 C ATOM 0 H LEU A 31 1.021 18.882 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 31 3.169 17.189 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.405 16.840 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.967 15.602 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 31 2.419 16.561 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.000 14.245 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.473 15.084 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.128 13.896 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.057 14.777 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.181 14.430 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.994 15.998 -6.870 1.00 0.00 H new ATOM 405 N CYS A 32 1.057 18.528 -9.530 1.00 0.00 N ATOM 406 CA CYS A 32 0.596 18.596 -10.945 1.00 0.00 C ATOM 407 C CYS A 32 0.845 19.999 -11.505 1.00 0.00 C ATOM 408 O CYS A 32 -0.035 20.619 -12.070 1.00 0.00 O ATOM 409 CB CYS A 32 -0.897 18.269 -11.012 1.00 0.00 C ATOM 410 SG CYS A 32 -1.111 16.566 -11.590 1.00 0.00 S ATOM 0 H CYS A 32 0.865 19.358 -8.969 1.00 0.00 H new ATOM 0 HA CYS A 32 1.151 17.872 -11.541 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.352 18.392 -10.029 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.403 18.960 -11.686 1.00 0.00 H new ATOM 415 N CYS A 33 2.040 20.502 -11.359 1.00 0.00 N ATOM 416 CA CYS A 33 2.350 21.860 -11.890 1.00 0.00 C ATOM 417 C CYS A 33 3.536 21.762 -12.850 1.00 0.00 C ATOM 418 O CYS A 33 4.680 21.741 -12.438 1.00 0.00 O ATOM 419 CB CYS A 33 2.713 22.793 -10.733 1.00 0.00 C ATOM 420 SG CYS A 33 1.375 22.805 -9.513 1.00 0.00 S ATOM 0 H CYS A 33 2.816 20.031 -10.894 1.00 0.00 H new ATOM 0 HA CYS A 33 1.480 22.255 -12.414 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.641 22.464 -10.266 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.885 23.802 -11.108 1.00 0.00 H new ATOM 425 N GLU A 34 3.277 21.698 -14.127 1.00 0.00 N ATOM 426 CA GLU A 34 4.394 21.599 -15.107 1.00 0.00 C ATOM 427 C GLU A 34 4.517 22.917 -15.872 1.00 0.00 C ATOM 428 O GLU A 34 3.561 23.407 -16.434 1.00 0.00 O ATOM 429 CB GLU A 34 4.112 20.461 -16.091 1.00 0.00 C ATOM 430 CG GLU A 34 2.664 20.553 -16.578 1.00 0.00 C ATOM 431 CD GLU A 34 2.549 19.897 -17.954 1.00 0.00 C ATOM 432 OE1 GLU A 34 3.579 19.628 -18.548 1.00 0.00 O ATOM 433 OE2 GLU A 34 1.431 19.673 -18.389 1.00 0.00 O ATOM 0 H GLU A 34 2.342 21.710 -14.533 1.00 0.00 H new ATOM 0 HA GLU A 34 5.325 21.397 -14.578 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.796 20.521 -16.938 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.284 19.499 -15.609 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.999 20.059 -15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.353 21.596 -16.633 1.00 0.00 H new ATOM 440 N GLN A 35 5.690 23.489 -15.893 1.00 0.00 N ATOM 441 CA GLN A 35 5.893 24.777 -16.616 1.00 0.00 C ATOM 442 C GLN A 35 4.994 25.863 -16.001 1.00 0.00 C ATOM 443 O GLN A 35 4.500 26.742 -16.678 1.00 0.00 O ATOM 444 CB GLN A 35 5.610 24.573 -18.124 1.00 0.00 C ATOM 445 CG GLN A 35 4.203 25.046 -18.514 1.00 0.00 C ATOM 446 CD GLN A 35 3.615 24.097 -19.561 1.00 0.00 C ATOM 447 OE1 GLN A 35 3.730 24.335 -20.746 1.00 0.00 O ATOM 448 NE2 GLN A 35 2.984 23.022 -19.170 1.00 0.00 N ATOM 0 H GLN A 35 6.523 23.116 -15.437 1.00 0.00 H new ATOM 0 HA GLN A 35 6.926 25.108 -16.514 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.351 25.118 -18.709 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.720 23.518 -18.374 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.561 25.075 -17.634 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.246 26.060 -18.911 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.887 22.821 -18.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.588 22.383 -19.860 1.00 0.00 H new ATOM 457 N CYS A 36 4.794 25.809 -14.709 1.00 0.00 N ATOM 458 CA CYS A 36 3.944 26.832 -14.028 1.00 0.00 C ATOM 459 C CYS A 36 2.498 26.701 -14.502 1.00 0.00 C ATOM 460 O CYS A 36 1.718 27.630 -14.417 1.00 0.00 O ATOM 461 CB CYS A 36 4.462 28.235 -14.350 1.00 0.00 C ATOM 462 SG CYS A 36 6.149 28.411 -13.720 1.00 0.00 S ATOM 0 H CYS A 36 5.185 25.096 -14.093 1.00 0.00 H new ATOM 0 HA CYS A 36 3.987 26.670 -12.951 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.445 28.403 -15.427 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.813 28.986 -13.900 1.00 0.00 H new ATOM 467 N LYS A 37 2.130 25.552 -14.994 1.00 0.00 N ATOM 468 CA LYS A 37 0.733 25.354 -15.467 1.00 0.00 C ATOM 469 C LYS A 37 0.201 24.029 -14.920 1.00 0.00 C ATOM 470 O LYS A 37 0.957 23.147 -14.562 1.00 0.00 O ATOM 471 CB LYS A 37 0.709 25.325 -16.995 1.00 0.00 C ATOM 472 CG LYS A 37 0.116 26.636 -17.519 1.00 0.00 C ATOM 473 CD LYS A 37 1.190 27.415 -18.277 1.00 0.00 C ATOM 474 CE LYS A 37 0.902 27.348 -19.777 1.00 0.00 C ATOM 475 NZ LYS A 37 1.802 26.342 -20.411 1.00 0.00 N ATOM 0 H LYS A 37 2.739 24.739 -15.089 1.00 0.00 H new ATOM 0 HA LYS A 37 0.107 26.173 -15.114 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.718 25.189 -17.383 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.116 24.480 -17.344 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.729 26.428 -18.175 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.264 27.233 -16.690 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.205 28.453 -17.944 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.175 26.998 -18.066 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.140 27.077 -19.946 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.055 28.327 -20.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.716 26.403 -21.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.786 26.533 -20.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.532 25.388 -20.097 1.00 0.00 H new ATOM 489 N PHE A 38 -1.092 23.879 -14.851 1.00 0.00 N ATOM 490 CA PHE A 38 -1.661 22.606 -14.326 1.00 0.00 C ATOM 491 C PHE A 38 -1.361 21.479 -15.312 1.00 0.00 C ATOM 492 O PHE A 38 -1.544 21.624 -16.503 1.00 0.00 O ATOM 493 CB PHE A 38 -3.176 22.752 -14.165 1.00 0.00 C ATOM 494 CG PHE A 38 -3.475 23.838 -13.160 1.00 0.00 C ATOM 495 CD1 PHE A 38 -2.743 23.909 -11.970 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.482 24.774 -13.419 1.00 0.00 C ATOM 497 CE1 PHE A 38 -3.019 24.916 -11.037 1.00 0.00 C ATOM 498 CE2 PHE A 38 -4.759 25.780 -12.488 1.00 0.00 C ATOM 499 CZ PHE A 38 -4.027 25.851 -11.296 1.00 0.00 C ATOM 0 H PHE A 38 -1.777 24.579 -15.134 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.215 22.376 -13.358 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.632 22.995 -15.125 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.610 21.808 -13.835 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.965 23.187 -11.771 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.046 24.720 -14.339 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.454 24.971 -10.118 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.537 26.502 -12.688 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.241 26.628 -10.577 1.00 0.00 H new ATOM 509 N SER A 39 -0.896 20.358 -14.828 1.00 0.00 N ATOM 510 CA SER A 39 -0.583 19.224 -15.746 1.00 0.00 C ATOM 511 C SER A 39 -1.802 18.921 -16.631 1.00 0.00 C ATOM 512 O SER A 39 -2.104 19.653 -17.553 1.00 0.00 O ATOM 513 CB SER A 39 -0.211 17.989 -14.923 1.00 0.00 C ATOM 514 OG SER A 39 1.082 18.172 -14.362 1.00 0.00 O ATOM 0 H SER A 39 -0.720 20.179 -13.839 1.00 0.00 H new ATOM 0 HA SER A 39 0.258 19.494 -16.385 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.944 17.830 -14.132 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.224 17.100 -15.553 1.00 0.00 H new ATOM 0 HG SER A 39 1.323 17.384 -13.832 1.00 0.00 H new ATOM 520 N ARG A 40 -2.505 17.851 -16.371 1.00 0.00 N ATOM 521 CA ARG A 40 -3.693 17.526 -17.214 1.00 0.00 C ATOM 522 C ARG A 40 -4.815 16.966 -16.338 1.00 0.00 C ATOM 523 O ARG A 40 -4.618 16.657 -15.179 1.00 0.00 O ATOM 524 CB ARG A 40 -3.301 16.487 -18.265 1.00 0.00 C ATOM 525 CG ARG A 40 -2.465 17.159 -19.357 1.00 0.00 C ATOM 526 CD ARG A 40 -2.031 16.113 -20.385 1.00 0.00 C ATOM 527 NE ARG A 40 -0.830 16.606 -21.118 1.00 0.00 N ATOM 528 CZ ARG A 40 -0.903 16.857 -22.396 1.00 0.00 C ATOM 529 NH1 ARG A 40 -1.421 15.975 -23.206 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.457 17.991 -22.865 1.00 0.00 N ATOM 0 H ARG A 40 -2.310 17.192 -15.617 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.042 18.433 -17.707 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.733 15.681 -17.801 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.194 16.038 -18.700 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.046 17.943 -19.843 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.590 17.637 -18.917 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.805 15.170 -19.887 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.843 15.917 -21.085 1.00 0.00 H new ATOM 0 HE ARG A 40 0.049 16.747 -20.620 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.769 15.089 -22.840 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.478 16.172 -24.205 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.052 18.680 -22.232 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.514 18.187 -23.864 1.00 0.00 H new ATOM 544 N ALA A 41 -5.994 16.827 -16.886 1.00 0.00 N ATOM 545 CA ALA A 41 -7.129 16.279 -16.090 1.00 0.00 C ATOM 546 C ALA A 41 -6.967 14.764 -15.969 1.00 0.00 C ATOM 547 O ALA A 41 -6.704 14.080 -16.939 1.00 0.00 O ATOM 548 CB ALA A 41 -8.449 16.598 -16.795 1.00 0.00 C ATOM 0 H ALA A 41 -6.219 17.070 -17.851 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.134 16.729 -15.097 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.279 16.197 -16.213 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.560 17.678 -16.888 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.450 16.146 -17.787 1.00 0.00 H new ATOM 554 N GLY A 42 -7.114 14.230 -14.788 1.00 0.00 N ATOM 555 CA GLY A 42 -6.956 12.759 -14.617 1.00 0.00 C ATOM 556 C GLY A 42 -5.466 12.418 -14.629 1.00 0.00 C ATOM 557 O GLY A 42 -5.070 11.317 -14.955 1.00 0.00 O ATOM 0 H GLY A 42 -7.336 14.747 -13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.409 12.437 -13.679 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.471 12.229 -15.418 1.00 0.00 H new ATOM 561 N LYS A 43 -4.636 13.362 -14.277 1.00 0.00 N ATOM 562 CA LYS A 43 -3.167 13.106 -14.267 1.00 0.00 C ATOM 563 C LYS A 43 -2.793 12.376 -12.974 1.00 0.00 C ATOM 564 O LYS A 43 -3.151 12.790 -11.893 1.00 0.00 O ATOM 565 CB LYS A 43 -2.423 14.445 -14.348 1.00 0.00 C ATOM 566 CG LYS A 43 -0.979 14.276 -13.868 1.00 0.00 C ATOM 567 CD LYS A 43 -0.228 13.344 -14.821 1.00 0.00 C ATOM 568 CE LYS A 43 1.271 13.641 -14.752 1.00 0.00 C ATOM 569 NZ LYS A 43 1.997 12.426 -14.285 1.00 0.00 N ATOM 0 H LYS A 43 -4.913 14.302 -13.995 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.889 12.488 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.432 14.813 -15.374 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.932 15.190 -13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.483 15.246 -13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.966 13.867 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.416 12.304 -14.553 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.590 13.481 -15.840 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.638 13.943 -15.733 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.457 14.473 -14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.016 12.627 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.653 12.158 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.829 11.644 -14.950 1.00 0.00 H new ATOM 583 N ILE A 44 -2.072 11.295 -13.073 1.00 0.00 N ATOM 584 CA ILE A 44 -1.688 10.552 -11.841 1.00 0.00 C ATOM 585 C ILE A 44 -0.872 11.469 -10.928 1.00 0.00 C ATOM 586 O ILE A 44 -0.114 12.304 -11.380 1.00 0.00 O ATOM 587 CB ILE A 44 -0.852 9.329 -12.221 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.770 8.246 -12.791 1.00 0.00 C ATOM 589 CG2 ILE A 44 -0.133 8.784 -10.982 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.595 7.630 -11.661 1.00 0.00 C ATOM 0 H ILE A 44 -1.733 10.895 -13.948 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.587 10.226 -11.317 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.112 9.617 -12.968 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.430 8.674 -13.546 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.178 7.476 -13.285 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.461 7.913 -11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.521 9.554 -10.573 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.869 8.497 -10.231 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.249 6.858 -12.067 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.927 7.187 -10.922 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.198 8.404 -11.187 1.00 0.00 H new ATOM 602 N CYS A 45 -1.028 11.319 -9.644 1.00 0.00 N ATOM 603 CA CYS A 45 -0.273 12.180 -8.688 1.00 0.00 C ATOM 604 C CYS A 45 0.229 11.335 -7.512 1.00 0.00 C ATOM 605 O CYS A 45 1.330 11.522 -7.031 1.00 0.00 O ATOM 606 CB CYS A 45 -1.190 13.285 -8.162 1.00 0.00 C ATOM 607 SG CYS A 45 -2.872 12.646 -7.970 1.00 0.00 S ATOM 0 H CYS A 45 -1.648 10.635 -9.211 1.00 0.00 H new ATOM 0 HA CYS A 45 0.579 12.624 -9.203 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.820 13.653 -7.205 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.189 14.130 -8.851 1.00 0.00 H new ATOM 612 N ARG A 46 -0.564 10.412 -7.038 1.00 0.00 N ATOM 613 CA ARG A 46 -0.120 9.573 -5.891 1.00 0.00 C ATOM 614 C ARG A 46 -0.466 8.110 -6.155 1.00 0.00 C ATOM 615 O ARG A 46 -1.530 7.788 -6.646 1.00 0.00 O ATOM 616 CB ARG A 46 -0.829 10.038 -4.618 1.00 0.00 C ATOM 617 CG ARG A 46 0.176 10.113 -3.467 1.00 0.00 C ATOM 618 CD ARG A 46 -0.534 10.611 -2.208 1.00 0.00 C ATOM 619 NE ARG A 46 0.402 11.445 -1.404 1.00 0.00 N ATOM 620 CZ ARG A 46 0.652 11.132 -0.162 1.00 0.00 C ATOM 621 NH1 ARG A 46 1.533 10.210 0.113 1.00 0.00 N ATOM 622 NH2 ARG A 46 0.018 11.740 0.804 1.00 0.00 N ATOM 0 H ARG A 46 -1.497 10.204 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 46 0.959 9.672 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.285 11.015 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.635 9.348 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.614 9.131 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.994 10.785 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.414 11.194 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.883 9.765 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 46 0.848 12.261 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.026 9.734 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.729 9.965 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.672 12.459 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.213 11.496 1.775 1.00 0.00 H new ATOM 636 N ILE A 47 0.425 7.220 -5.824 1.00 0.00 N ATOM 637 CA ILE A 47 0.155 5.775 -6.043 1.00 0.00 C ATOM 638 C ILE A 47 0.662 4.987 -4.823 1.00 0.00 C ATOM 639 O ILE A 47 1.845 4.976 -4.546 1.00 0.00 O ATOM 640 CB ILE A 47 0.875 5.315 -7.317 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.261 3.998 -7.796 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.366 5.112 -7.035 1.00 0.00 C ATOM 643 CD1 ILE A 47 0.464 2.926 -6.727 1.00 0.00 C ATOM 0 H ILE A 47 1.332 7.433 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.914 5.600 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 47 0.762 6.077 -8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.802 4.131 -7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.725 3.687 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.867 4.785 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.803 6.051 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.490 4.354 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.027 1.987 -7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.530 2.787 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.021 3.238 -5.802 1.00 0.00 H new ATOM 755 N ASP A 54 -4.780 4.363 -7.826 1.00 0.00 N ATOM 756 CA ASP A 54 -3.852 5.504 -8.063 1.00 0.00 C ATOM 757 C ASP A 54 -4.631 6.819 -8.037 1.00 0.00 C ATOM 758 O ASP A 54 -5.703 6.929 -8.598 1.00 0.00 O ATOM 759 CB ASP A 54 -3.184 5.349 -9.431 1.00 0.00 C ATOM 760 CG ASP A 54 -2.631 3.930 -9.577 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.891 3.119 -8.704 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.957 3.677 -10.562 1.00 0.00 O ATOM 0 HA ASP A 54 -3.093 5.512 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.904 5.552 -10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.379 6.076 -9.538 1.00 0.00 H new ATOM 767 N ASP A 55 -4.094 7.820 -7.400 1.00 0.00 N ATOM 768 CA ASP A 55 -4.795 9.132 -7.348 1.00 0.00 C ATOM 769 C ASP A 55 -4.539 9.881 -8.657 1.00 0.00 C ATOM 770 O ASP A 55 -3.619 9.571 -9.386 1.00 0.00 O ATOM 771 CB ASP A 55 -4.253 9.950 -6.177 1.00 0.00 C ATOM 772 CG ASP A 55 -5.320 10.051 -5.085 1.00 0.00 C ATOM 773 OD1 ASP A 55 -5.815 9.016 -4.670 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.624 11.162 -4.683 1.00 0.00 O ATOM 0 H ASP A 55 -3.199 7.787 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.866 8.977 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.353 9.481 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.970 10.946 -6.516 1.00 0.00 H new ATOM 779 N ARG A 56 -5.344 10.858 -8.966 1.00 0.00 N ATOM 780 CA ARG A 56 -5.133 11.610 -10.234 1.00 0.00 C ATOM 781 C ARG A 56 -5.457 13.092 -10.021 1.00 0.00 C ATOM 782 O ARG A 56 -6.120 13.465 -9.074 1.00 0.00 O ATOM 783 CB ARG A 56 -6.049 11.039 -11.318 1.00 0.00 C ATOM 784 CG ARG A 56 -5.783 9.541 -11.474 1.00 0.00 C ATOM 785 CD ARG A 56 -6.005 9.133 -12.931 1.00 0.00 C ATOM 786 NE ARG A 56 -7.281 8.374 -13.045 1.00 0.00 N ATOM 787 CZ ARG A 56 -8.168 8.724 -13.935 1.00 0.00 C ATOM 788 NH1 ARG A 56 -7.958 8.478 -15.199 1.00 0.00 N ATOM 789 NH2 ARG A 56 -9.266 9.322 -13.559 1.00 0.00 N ATOM 0 H ARG A 56 -6.134 11.167 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.092 11.512 -10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.093 11.208 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.873 11.551 -12.264 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.762 9.309 -11.172 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.446 8.973 -10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.038 10.018 -13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.173 8.521 -13.279 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.461 7.582 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.100 8.012 -15.492 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.652 8.752 -15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.429 9.515 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.961 9.596 -14.254 1.00 0.00 H new ATOM 803 N CYS A 57 -4.994 13.938 -10.902 1.00 0.00 N ATOM 804 CA CYS A 57 -5.269 15.397 -10.767 1.00 0.00 C ATOM 805 C CYS A 57 -6.540 15.745 -11.542 1.00 0.00 C ATOM 806 O CYS A 57 -6.858 15.127 -12.541 1.00 0.00 O ATOM 807 CB CYS A 57 -4.098 16.194 -11.346 1.00 0.00 C ATOM 808 SG CYS A 57 -2.585 15.822 -10.426 1.00 0.00 S ATOM 0 H CYS A 57 -4.434 13.679 -11.714 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.397 15.646 -9.713 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.964 15.947 -12.399 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.312 17.261 -11.294 1.00 0.00 H new ATOM 813 N THR A 58 -7.265 16.735 -11.095 1.00 0.00 N ATOM 814 CA THR A 58 -8.515 17.129 -11.806 1.00 0.00 C ATOM 815 C THR A 58 -8.159 17.931 -13.060 1.00 0.00 C ATOM 816 O THR A 58 -9.011 18.264 -13.859 1.00 0.00 O ATOM 817 CB THR A 58 -9.377 17.991 -10.881 1.00 0.00 C ATOM 818 OG1 THR A 58 -8.677 19.185 -10.558 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.687 17.215 -9.599 1.00 0.00 C ATOM 0 H THR A 58 -7.045 17.289 -10.267 1.00 0.00 H new ATOM 0 HA THR A 58 -9.067 16.234 -12.091 1.00 0.00 H new ATOM 0 HB THR A 58 -10.310 18.243 -11.385 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.229 19.738 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.301 17.830 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.226 16.301 -9.848 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.755 16.961 -9.093 1.00 0.00 H new ATOM 827 N GLY A 59 -6.906 18.247 -13.239 1.00 0.00 N ATOM 828 CA GLY A 59 -6.501 19.030 -14.441 1.00 0.00 C ATOM 829 C GLY A 59 -6.250 20.484 -14.036 1.00 0.00 C ATOM 830 O GLY A 59 -5.432 21.168 -14.619 1.00 0.00 O ATOM 0 H GLY A 59 -6.146 17.997 -12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.600 18.602 -14.881 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.281 18.981 -15.201 1.00 0.00 H new ATOM 834 N GLN A 60 -6.945 20.958 -13.040 1.00 0.00 N ATOM 835 CA GLN A 60 -6.747 22.366 -12.596 1.00 0.00 C ATOM 836 C GLN A 60 -6.147 22.376 -11.190 1.00 0.00 C ATOM 837 O GLN A 60 -5.622 23.373 -10.735 1.00 0.00 O ATOM 838 CB GLN A 60 -8.093 23.091 -12.580 1.00 0.00 C ATOM 839 CG GLN A 60 -8.941 22.617 -13.761 1.00 0.00 C ATOM 840 CD GLN A 60 -10.242 23.419 -13.811 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.516 24.210 -12.929 1.00 0.00 O ATOM 842 NE2 GLN A 60 -11.061 23.249 -14.812 1.00 0.00 N ATOM 0 H GLN A 60 -7.642 20.431 -12.514 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.071 22.872 -13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.613 22.894 -11.643 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.939 24.168 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.388 22.742 -14.692 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.161 21.554 -13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.831 22.586 -15.552 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.931 23.780 -14.855 1.00 0.00 H new ATOM 851 N SER A 61 -6.219 21.273 -10.496 1.00 0.00 N ATOM 852 CA SER A 61 -5.653 21.223 -9.119 1.00 0.00 C ATOM 853 C SER A 61 -4.132 21.074 -9.197 1.00 0.00 C ATOM 854 O SER A 61 -3.621 20.099 -9.710 1.00 0.00 O ATOM 855 CB SER A 61 -6.245 20.030 -8.367 1.00 0.00 C ATOM 856 OG SER A 61 -6.416 20.375 -6.999 1.00 0.00 O ATOM 0 H SER A 61 -6.645 20.406 -10.823 1.00 0.00 H new ATOM 0 HA SER A 61 -5.901 22.144 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.202 19.748 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.587 19.166 -8.456 1.00 0.00 H new ATOM 0 HG SER A 61 -6.797 19.613 -6.515 1.00 0.00 H new ATOM 862 N ALA A 62 -3.406 22.033 -8.692 1.00 0.00 N ATOM 863 CA ALA A 62 -1.919 21.944 -8.737 1.00 0.00 C ATOM 864 C ALA A 62 -1.445 20.874 -7.751 1.00 0.00 C ATOM 865 O ALA A 62 -0.359 20.345 -7.869 1.00 0.00 O ATOM 866 CB ALA A 62 -1.315 23.298 -8.357 1.00 0.00 C ATOM 0 H ALA A 62 -3.778 22.874 -8.250 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.599 21.676 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.227 23.233 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.655 24.058 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.632 23.568 -7.350 1.00 0.00 H new ATOM 872 N ASP A 63 -2.256 20.547 -6.781 1.00 0.00 N ATOM 873 CA ASP A 63 -1.857 19.506 -5.792 1.00 0.00 C ATOM 874 C ASP A 63 -2.759 18.282 -5.960 1.00 0.00 C ATOM 875 O ASP A 63 -3.741 18.319 -6.675 1.00 0.00 O ATOM 876 CB ASP A 63 -2.007 20.060 -4.375 1.00 0.00 C ATOM 877 CG ASP A 63 -1.148 21.317 -4.222 1.00 0.00 C ATOM 878 OD1 ASP A 63 0.048 21.173 -4.038 1.00 0.00 O ATOM 879 OD2 ASP A 63 -1.703 22.401 -4.292 1.00 0.00 O ATOM 0 H ASP A 63 -3.178 20.956 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.818 19.222 -5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.052 20.295 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.703 19.309 -3.646 1.00 0.00 H new ATOM 884 N CYS A 64 -2.436 17.198 -5.311 1.00 0.00 N ATOM 885 CA CYS A 64 -3.279 15.977 -5.444 1.00 0.00 C ATOM 886 C CYS A 64 -3.922 15.639 -4.104 1.00 0.00 C ATOM 887 O CYS A 64 -3.288 15.084 -3.229 1.00 0.00 O ATOM 888 CB CYS A 64 -2.416 14.808 -5.911 1.00 0.00 C ATOM 889 SG CYS A 64 -3.466 13.359 -6.177 1.00 0.00 S ATOM 0 H CYS A 64 -1.627 17.105 -4.696 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.064 16.163 -6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.897 15.070 -6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.651 14.586 -5.167 1.00 0.00 H new ATOM 894 N PRO A 65 -5.177 15.982 -3.995 1.00 0.00 N ATOM 895 CA PRO A 65 -5.964 15.728 -2.785 1.00 0.00 C ATOM 896 C PRO A 65 -6.400 14.261 -2.731 1.00 0.00 C ATOM 897 O PRO A 65 -5.731 13.423 -2.160 1.00 0.00 O ATOM 898 CB PRO A 65 -7.171 16.649 -2.952 1.00 0.00 C ATOM 899 CG PRO A 65 -7.299 16.955 -4.459 1.00 0.00 C ATOM 900 CD PRO A 65 -5.930 16.660 -5.075 1.00 0.00 C ATOM 0 HA PRO A 65 -5.413 15.914 -1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.076 16.171 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.037 17.568 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.072 16.338 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.583 17.995 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.020 16.024 -5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.431 17.576 -5.392 1.00 0.00 H new