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 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.86 K(o=-1.9,f=-5!) USER MOD Single : A 18 THR OG1 : rot -39:sc= 0.523 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -75:sc= 0.61 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 60 GLN : amide:sc= -0.499 K(o=-0.5,f=-3.4!) USER MOD Single : A 61 SER OG : rot -89:sc= -0.178 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -1.607 36.362 -10.896 1.00 0.00 N ATOM 33 CA GLU A 3 -0.812 36.314 -12.155 1.00 0.00 C ATOM 34 C GLU A 3 0.392 35.387 -11.970 1.00 0.00 C ATOM 35 O GLU A 3 1.164 35.170 -12.882 1.00 0.00 O ATOM 36 CB GLU A 3 -0.323 37.722 -12.504 1.00 0.00 C ATOM 37 CG GLU A 3 -1.523 38.609 -12.844 1.00 0.00 C ATOM 38 CD GLU A 3 -2.324 37.973 -13.981 1.00 0.00 C ATOM 39 OE1 GLU A 3 -1.917 38.119 -15.121 1.00 0.00 O ATOM 40 OE2 GLU A 3 -3.332 37.348 -13.692 1.00 0.00 O ATOM 0 HA GLU A 3 -1.438 35.935 -12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.229 38.145 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.364 37.681 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.156 38.735 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.183 39.602 -13.136 1.00 0.00 H new ATOM 47 N CYS A 4 0.558 34.836 -10.798 1.00 0.00 N ATOM 48 CA CYS A 4 1.714 33.924 -10.569 1.00 0.00 C ATOM 49 C CYS A 4 1.303 32.491 -10.908 1.00 0.00 C ATOM 50 O CYS A 4 0.356 31.960 -10.362 1.00 0.00 O ATOM 51 CB CYS A 4 2.152 34.001 -9.104 1.00 0.00 C ATOM 52 SG CYS A 4 2.672 35.692 -8.718 1.00 0.00 S ATOM 0 H CYS A 4 -0.053 34.977 -9.994 1.00 0.00 H new ATOM 0 HA CYS A 4 2.545 34.225 -11.206 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.331 33.704 -8.452 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.972 33.306 -8.921 1.00 0.00 H new ATOM 57 N ASP A 5 2.005 31.862 -11.810 1.00 0.00 N ATOM 58 CA ASP A 5 1.652 30.465 -12.189 1.00 0.00 C ATOM 59 C ASP A 5 2.662 29.494 -11.572 1.00 0.00 C ATOM 60 O ASP A 5 2.453 28.297 -11.553 1.00 0.00 O ATOM 61 CB ASP A 5 1.679 30.332 -13.712 1.00 0.00 C ATOM 62 CG ASP A 5 0.617 29.324 -14.156 1.00 0.00 C ATOM 63 OD1 ASP A 5 -0.554 29.600 -13.953 1.00 0.00 O ATOM 64 OD2 ASP A 5 0.993 28.294 -14.691 1.00 0.00 O ATOM 0 H ASP A 5 2.808 32.255 -12.301 1.00 0.00 H new ATOM 0 HA ASP A 5 0.654 30.229 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.492 31.301 -14.175 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.665 30.006 -14.042 1.00 0.00 H new ATOM 69 N CYS A 6 3.756 29.998 -11.067 1.00 0.00 N ATOM 70 CA CYS A 6 4.775 29.100 -10.454 1.00 0.00 C ATOM 71 C CYS A 6 5.153 29.627 -9.067 1.00 0.00 C ATOM 72 O CYS A 6 4.732 30.693 -8.662 1.00 0.00 O ATOM 73 CB CYS A 6 6.020 29.063 -11.346 1.00 0.00 C ATOM 74 SG CYS A 6 6.896 30.644 -11.239 1.00 0.00 S ATOM 0 H CYS A 6 3.987 30.991 -11.053 1.00 0.00 H new ATOM 0 HA CYS A 6 4.366 28.094 -10.358 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.677 28.251 -11.036 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.733 28.864 -12.379 1.00 0.00 H new ATOM 79 N SER A 7 5.943 28.890 -8.335 1.00 0.00 N ATOM 80 CA SER A 7 6.346 29.351 -6.977 1.00 0.00 C ATOM 81 C SER A 7 7.866 29.234 -6.826 1.00 0.00 C ATOM 82 O SER A 7 8.382 29.115 -5.733 1.00 0.00 O ATOM 83 CB SER A 7 5.662 28.484 -5.921 1.00 0.00 C ATOM 84 OG SER A 7 4.253 28.625 -6.038 1.00 0.00 O ATOM 0 H SER A 7 6.327 27.989 -8.619 1.00 0.00 H new ATOM 0 HA SER A 7 6.047 30.391 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.947 27.440 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.987 28.781 -4.924 1.00 0.00 H new ATOM 0 HG SER A 7 3.811 28.069 -5.363 1.00 0.00 H new ATOM 90 N SER A 8 8.588 29.268 -7.914 1.00 0.00 N ATOM 91 CA SER A 8 10.072 29.159 -7.825 1.00 0.00 C ATOM 92 C SER A 8 10.717 30.346 -8.552 1.00 0.00 C ATOM 93 O SER A 8 10.221 30.790 -9.569 1.00 0.00 O ATOM 94 CB SER A 8 10.528 27.854 -8.480 1.00 0.00 C ATOM 95 OG SER A 8 10.023 26.753 -7.736 1.00 0.00 O ATOM 0 H SER A 8 8.215 29.366 -8.858 1.00 0.00 H new ATOM 0 HA SER A 8 10.374 29.166 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.172 27.806 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.617 27.814 -8.518 1.00 0.00 H new ATOM 0 HG SER A 8 10.312 25.915 -8.154 1.00 0.00 H new ATOM 101 N PRO A 9 11.806 30.825 -8.004 1.00 0.00 N ATOM 102 CA PRO A 9 12.547 31.965 -8.574 1.00 0.00 C ATOM 103 C PRO A 9 13.417 31.509 -9.749 1.00 0.00 C ATOM 104 O PRO A 9 13.653 32.250 -10.683 1.00 0.00 O ATOM 105 CB PRO A 9 13.420 32.441 -7.408 1.00 0.00 C ATOM 106 CG PRO A 9 13.562 31.235 -6.448 1.00 0.00 C ATOM 107 CD PRO A 9 12.397 30.279 -6.765 1.00 0.00 C ATOM 0 HA PRO A 9 11.895 32.746 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.396 32.772 -7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.961 33.290 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.521 30.737 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.524 31.561 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.748 29.257 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.669 30.255 -5.954 1.00 0.00 H new ATOM 115 N GLU A 10 13.901 30.298 -9.709 1.00 0.00 N ATOM 116 CA GLU A 10 14.758 29.800 -10.821 1.00 0.00 C ATOM 117 C GLU A 10 13.883 29.455 -12.026 1.00 0.00 C ATOM 118 O GLU A 10 14.298 29.574 -13.162 1.00 0.00 O ATOM 119 CB GLU A 10 15.511 28.549 -10.360 1.00 0.00 C ATOM 120 CG GLU A 10 16.623 28.949 -9.387 1.00 0.00 C ATOM 121 CD GLU A 10 17.876 29.336 -10.174 1.00 0.00 C ATOM 122 OE1 GLU A 10 18.537 28.441 -10.674 1.00 0.00 O ATOM 123 OE2 GLU A 10 18.154 30.521 -10.264 1.00 0.00 O ATOM 0 H GLU A 10 13.740 29.632 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 10 15.473 30.572 -11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.823 27.855 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.935 28.030 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.296 29.785 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.845 28.122 -8.713 1.00 0.00 H new ATOM 130 N ASN A 11 12.674 29.028 -11.788 1.00 0.00 N ATOM 131 CA ASN A 11 11.769 28.676 -12.918 1.00 0.00 C ATOM 132 C ASN A 11 11.817 29.781 -13.982 1.00 0.00 C ATOM 133 O ASN A 11 11.322 30.868 -13.758 1.00 0.00 O ATOM 134 CB ASN A 11 10.339 28.542 -12.392 1.00 0.00 C ATOM 135 CG ASN A 11 9.489 27.784 -13.412 1.00 0.00 C ATOM 136 OD1 ASN A 11 9.806 27.757 -14.584 1.00 0.00 O ATOM 137 ND2 ASN A 11 8.416 27.161 -13.012 1.00 0.00 N ATOM 0 H ASN A 11 12.273 28.907 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 11 12.090 27.734 -13.362 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.339 28.014 -11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.913 29.529 -12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.842 26.651 -13.683 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.150 27.184 -12.028 1.00 0.00 H new ATOM 144 N PRO A 12 12.409 29.473 -15.112 1.00 0.00 N ATOM 145 CA PRO A 12 12.532 30.429 -16.227 1.00 0.00 C ATOM 146 C PRO A 12 11.208 30.542 -16.991 1.00 0.00 C ATOM 147 O PRO A 12 10.855 31.595 -17.484 1.00 0.00 O ATOM 148 CB PRO A 12 13.621 29.813 -17.109 1.00 0.00 C ATOM 149 CG PRO A 12 13.655 28.303 -16.771 1.00 0.00 C ATOM 150 CD PRO A 12 13.008 28.150 -15.381 1.00 0.00 C ATOM 0 HA PRO A 12 12.776 31.439 -15.898 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.400 29.970 -18.165 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.588 30.277 -16.913 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.110 27.726 -17.518 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.679 27.930 -16.765 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.254 27.363 -15.377 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.747 27.886 -14.625 1.00 0.00 H new ATOM 158 N CYS A 13 10.474 29.468 -17.094 1.00 0.00 N ATOM 159 CA CYS A 13 9.175 29.518 -17.826 1.00 0.00 C ATOM 160 C CYS A 13 8.340 30.689 -17.304 1.00 0.00 C ATOM 161 O CYS A 13 7.990 31.591 -18.038 1.00 0.00 O ATOM 162 CB CYS A 13 8.412 28.210 -17.606 1.00 0.00 C ATOM 163 SG CYS A 13 7.686 27.661 -19.171 1.00 0.00 S ATOM 0 H CYS A 13 10.717 28.558 -16.703 1.00 0.00 H new ATOM 0 HA CYS A 13 9.365 29.652 -18.891 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.085 27.446 -17.217 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.629 28.354 -16.861 1.00 0.00 H new ATOM 168 N CYS A 14 8.014 30.677 -16.041 1.00 0.00 N ATOM 169 CA CYS A 14 7.196 31.785 -15.470 1.00 0.00 C ATOM 170 C CYS A 14 8.085 32.997 -15.189 1.00 0.00 C ATOM 171 O CYS A 14 8.917 32.977 -14.304 1.00 0.00 O ATOM 172 CB CYS A 14 6.554 31.317 -14.164 1.00 0.00 C ATOM 173 SG CYS A 14 7.850 30.803 -13.010 1.00 0.00 S ATOM 0 H CYS A 14 8.279 29.948 -15.379 1.00 0.00 H new ATOM 0 HA CYS A 14 6.422 32.065 -16.184 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.961 32.121 -13.728 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.873 30.488 -14.357 1.00 0.00 H new ATOM 178 N ASP A 15 7.908 34.061 -15.926 1.00 0.00 N ATOM 179 CA ASP A 15 8.738 35.273 -15.685 1.00 0.00 C ATOM 180 C ASP A 15 8.672 35.627 -14.199 1.00 0.00 C ATOM 181 O ASP A 15 7.621 35.577 -13.590 1.00 0.00 O ATOM 182 CB ASP A 15 8.198 36.440 -16.514 1.00 0.00 C ATOM 183 CG ASP A 15 9.106 36.671 -17.724 1.00 0.00 C ATOM 184 OD1 ASP A 15 10.189 36.110 -17.743 1.00 0.00 O ATOM 185 OD2 ASP A 15 8.701 37.406 -18.610 1.00 0.00 O ATOM 0 H ASP A 15 7.227 34.142 -16.681 1.00 0.00 H new ATOM 0 HA ASP A 15 9.770 35.078 -15.975 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.182 36.225 -16.844 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.151 37.342 -15.904 1.00 0.00 H new ATOM 190 N ALA A 16 9.783 35.976 -13.609 1.00 0.00 N ATOM 191 CA ALA A 16 9.782 36.323 -12.159 1.00 0.00 C ATOM 192 C ALA A 16 8.976 37.605 -11.934 1.00 0.00 C ATOM 193 O ALA A 16 8.197 37.704 -11.008 1.00 0.00 O ATOM 194 CB ALA A 16 11.221 36.537 -11.684 1.00 0.00 C ATOM 0 H ALA A 16 10.692 36.036 -14.069 1.00 0.00 H new ATOM 0 HA ALA A 16 9.328 35.508 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.220 36.791 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.795 35.623 -11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.674 37.350 -12.251 1.00 0.00 H new ATOM 200 N ALA A 17 9.161 38.590 -12.770 1.00 0.00 N ATOM 201 CA ALA A 17 8.406 39.864 -12.596 1.00 0.00 C ATOM 202 C ALA A 17 6.908 39.565 -12.514 1.00 0.00 C ATOM 203 O ALA A 17 6.248 39.905 -11.551 1.00 0.00 O ATOM 204 CB ALA A 17 8.675 40.785 -13.788 1.00 0.00 C ATOM 0 H ALA A 17 9.801 38.568 -13.564 1.00 0.00 H new ATOM 0 HA ALA A 17 8.730 40.353 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.123 41.716 -13.660 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.742 41.001 -13.847 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.352 40.295 -14.707 1.00 0.00 H new ATOM 210 N THR A 18 6.363 38.934 -13.518 1.00 0.00 N ATOM 211 CA THR A 18 4.907 38.617 -13.499 1.00 0.00 C ATOM 212 C THR A 18 4.696 37.189 -12.992 1.00 0.00 C ATOM 213 O THR A 18 3.612 36.648 -13.079 1.00 0.00 O ATOM 214 CB THR A 18 4.341 38.744 -14.916 1.00 0.00 C ATOM 215 OG1 THR A 18 2.923 38.656 -14.868 1.00 0.00 O ATOM 216 CG2 THR A 18 4.895 37.619 -15.794 1.00 0.00 C ATOM 0 H THR A 18 6.864 38.624 -14.351 1.00 0.00 H new ATOM 0 HA THR A 18 4.394 39.314 -12.836 1.00 0.00 H new ATOM 0 HB THR A 18 4.632 39.706 -15.338 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.659 37.978 -14.212 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.491 37.712 -16.802 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.982 37.688 -15.831 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.607 36.655 -15.375 1.00 0.00 H new ATOM 224 N CYS A 19 5.729 36.576 -12.468 1.00 0.00 N ATOM 225 CA CYS A 19 5.610 35.177 -11.947 1.00 0.00 C ATOM 226 C CYS A 19 4.695 34.360 -12.862 1.00 0.00 C ATOM 227 O CYS A 19 4.022 33.447 -12.428 1.00 0.00 O ATOM 228 CB CYS A 19 5.052 35.176 -10.515 1.00 0.00 C ATOM 229 SG CYS A 19 3.643 36.306 -10.380 1.00 0.00 S ATOM 0 H CYS A 19 6.658 36.988 -12.378 1.00 0.00 H new ATOM 0 HA CYS A 19 6.603 34.727 -11.931 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.744 34.167 -10.240 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.832 35.474 -9.815 1.00 0.00 H new ATOM 234 N LYS A 20 4.661 34.681 -14.126 1.00 0.00 N ATOM 235 CA LYS A 20 3.778 33.923 -15.060 1.00 0.00 C ATOM 236 C LYS A 20 4.577 33.476 -16.286 1.00 0.00 C ATOM 237 O LYS A 20 5.583 34.063 -16.633 1.00 0.00 O ATOM 238 CB LYS A 20 2.622 34.822 -15.505 1.00 0.00 C ATOM 239 CG LYS A 20 1.291 34.115 -15.237 1.00 0.00 C ATOM 240 CD LYS A 20 1.016 33.105 -16.353 1.00 0.00 C ATOM 241 CE LYS A 20 -0.345 33.399 -16.986 1.00 0.00 C ATOM 242 NZ LYS A 20 -1.428 32.884 -16.100 1.00 0.00 N ATOM 0 H LYS A 20 5.204 35.432 -14.552 1.00 0.00 H new ATOM 0 HA LYS A 20 3.385 33.044 -14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.657 35.770 -14.968 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.715 35.054 -16.566 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.324 33.608 -14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.483 34.845 -15.185 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.800 33.160 -17.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.031 32.092 -15.952 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.464 34.472 -17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.410 32.930 -17.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.353 33.084 -16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.318 31.857 -15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.369 33.351 -15.173 1.00 0.00 H new ATOM 256 N LEU A 21 4.135 32.439 -16.946 1.00 0.00 N ATOM 257 CA LEU A 21 4.866 31.948 -18.149 1.00 0.00 C ATOM 258 C LEU A 21 4.744 32.974 -19.278 1.00 0.00 C ATOM 259 O LEU A 21 3.661 33.313 -19.711 1.00 0.00 O ATOM 260 CB LEU A 21 4.275 30.612 -18.606 1.00 0.00 C ATOM 261 CG LEU A 21 3.800 29.813 -17.391 1.00 0.00 C ATOM 262 CD1 LEU A 21 2.271 29.733 -17.396 1.00 0.00 C ATOM 263 CD2 LEU A 21 4.380 28.399 -17.455 1.00 0.00 C ATOM 0 H LEU A 21 3.297 31.910 -16.703 1.00 0.00 H new ATOM 0 HA LEU A 21 5.917 31.808 -17.897 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.442 30.786 -19.287 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.023 30.043 -19.157 1.00 0.00 H new ATOM 0 HG LEU A 21 4.136 30.307 -16.479 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.934 29.164 -16.530 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.854 30.739 -17.354 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.935 29.239 -18.308 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.043 27.828 -16.590 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.042 27.908 -18.368 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.469 28.452 -17.453 1.00 0.00 H new ATOM 275 N ARG A 22 5.852 33.470 -19.754 1.00 0.00 N ATOM 276 CA ARG A 22 5.815 34.476 -20.852 1.00 0.00 C ATOM 277 C ARG A 22 5.612 33.784 -22.209 1.00 0.00 C ATOM 278 O ARG A 22 4.806 34.229 -23.002 1.00 0.00 O ATOM 279 CB ARG A 22 7.129 35.261 -20.873 1.00 0.00 C ATOM 280 CG ARG A 22 6.899 36.620 -21.535 1.00 0.00 C ATOM 281 CD ARG A 22 8.205 37.103 -22.168 1.00 0.00 C ATOM 282 NE ARG A 22 7.930 38.281 -23.039 1.00 0.00 N ATOM 283 CZ ARG A 22 7.265 39.300 -22.568 1.00 0.00 C ATOM 284 NH1 ARG A 22 7.892 40.251 -21.929 1.00 0.00 N ATOM 285 NH2 ARG A 22 5.972 39.371 -22.736 1.00 0.00 N ATOM 0 H ARG A 22 6.786 33.221 -19.428 1.00 0.00 H new ATOM 0 HA ARG A 22 4.982 35.156 -20.675 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.500 35.397 -19.857 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.890 34.703 -21.418 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.121 36.540 -22.295 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.551 37.342 -20.797 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.921 37.371 -21.391 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.656 36.302 -22.754 1.00 0.00 H new ATOM 0 HE ARG A 22 8.262 38.290 -24.003 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.902 40.197 -21.798 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.372 41.047 -21.561 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.481 38.630 -23.236 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.453 40.168 -22.367 1.00 0.00 H new ATOM 299 N PRO A 23 6.352 32.725 -22.453 1.00 0.00 N ATOM 300 CA PRO A 23 6.259 31.983 -23.723 1.00 0.00 C ATOM 301 C PRO A 23 5.014 31.091 -23.742 1.00 0.00 C ATOM 302 O PRO A 23 4.288 30.999 -22.772 1.00 0.00 O ATOM 303 CB PRO A 23 7.540 31.144 -23.747 1.00 0.00 C ATOM 304 CG PRO A 23 8.006 31.015 -22.277 1.00 0.00 C ATOM 305 CD PRO A 23 7.337 32.165 -21.500 1.00 0.00 C ATOM 0 HA PRO A 23 6.169 32.636 -24.591 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.353 30.162 -24.183 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.306 31.623 -24.357 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.718 30.049 -21.863 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.092 31.081 -22.208 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.852 31.803 -20.593 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.066 32.916 -21.194 1.00 0.00 H new ATOM 313 N GLY A 24 4.762 30.440 -24.845 1.00 0.00 N ATOM 314 CA GLY A 24 3.565 29.557 -24.939 1.00 0.00 C ATOM 315 C GLY A 24 3.692 28.407 -23.938 1.00 0.00 C ATOM 316 O GLY A 24 3.921 27.272 -24.306 1.00 0.00 O ATOM 0 H GLY A 24 5.335 30.482 -25.687 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.661 30.131 -24.735 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.471 29.162 -25.951 1.00 0.00 H new ATOM 320 N ALA A 25 3.541 28.691 -22.675 1.00 0.00 N ATOM 321 CA ALA A 25 3.650 27.617 -21.649 1.00 0.00 C ATOM 322 C ALA A 25 2.324 27.503 -20.896 1.00 0.00 C ATOM 323 O ALA A 25 1.591 28.464 -20.764 1.00 0.00 O ATOM 324 CB ALA A 25 4.770 27.964 -20.668 1.00 0.00 C ATOM 0 H ALA A 25 3.346 29.623 -22.308 1.00 0.00 H new ATOM 0 HA ALA A 25 3.876 26.667 -22.133 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.851 27.179 -19.916 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.713 28.049 -21.208 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.545 28.912 -20.180 1.00 0.00 H new ATOM 330 N GLN A 26 2.005 26.337 -20.402 1.00 0.00 N ATOM 331 CA GLN A 26 0.723 26.169 -19.661 1.00 0.00 C ATOM 332 C GLN A 26 0.978 26.322 -18.161 1.00 0.00 C ATOM 333 O GLN A 26 0.308 27.075 -17.482 1.00 0.00 O ATOM 334 CB GLN A 26 0.148 24.779 -19.942 1.00 0.00 C ATOM 335 CG GLN A 26 -1.234 24.919 -20.586 1.00 0.00 C ATOM 336 CD GLN A 26 -1.102 25.647 -21.925 1.00 0.00 C ATOM 337 OE1 GLN A 26 -1.697 26.688 -22.126 1.00 0.00 O ATOM 338 NE2 GLN A 26 -0.340 25.142 -22.856 1.00 0.00 N ATOM 0 H GLN A 26 2.576 25.495 -20.480 1.00 0.00 H new ATOM 0 HA GLN A 26 0.012 26.928 -19.988 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.815 24.225 -20.603 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.073 24.210 -19.015 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.678 23.935 -20.737 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.901 25.471 -19.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.160 24.269 -22.688 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.244 25.621 -23.752 1.00 0.00 H new ATOM 347 N CYS A 27 1.940 25.614 -17.636 1.00 0.00 N ATOM 348 CA CYS A 27 2.231 25.723 -16.178 1.00 0.00 C ATOM 349 C CYS A 27 3.737 25.596 -15.942 1.00 0.00 C ATOM 350 O CYS A 27 4.405 24.785 -16.550 1.00 0.00 O ATOM 351 CB CYS A 27 1.500 24.610 -15.416 1.00 0.00 C ATOM 352 SG CYS A 27 1.387 23.123 -16.446 1.00 0.00 S ATOM 0 H CYS A 27 2.536 24.966 -18.152 1.00 0.00 H new ATOM 0 HA CYS A 27 1.887 26.693 -15.818 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.030 24.382 -14.491 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.501 24.945 -15.136 1.00 0.00 H new ATOM 357 N GLY A 28 4.275 26.390 -15.057 1.00 0.00 N ATOM 358 CA GLY A 28 5.735 26.313 -14.776 1.00 0.00 C ATOM 359 C GLY A 28 5.983 25.291 -13.665 1.00 0.00 C ATOM 360 O GLY A 28 7.063 24.752 -13.533 1.00 0.00 O ATOM 0 H GLY A 28 3.765 27.089 -14.516 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.276 26.026 -15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.111 27.291 -14.477 1.00 0.00 H new ATOM 364 N GLU A 29 4.986 25.020 -12.866 1.00 0.00 N ATOM 365 CA GLU A 29 5.160 24.033 -11.763 1.00 0.00 C ATOM 366 C GLU A 29 3.886 23.200 -11.619 1.00 0.00 C ATOM 367 O GLU A 29 2.798 23.653 -11.917 1.00 0.00 O ATOM 368 CB GLU A 29 5.437 24.773 -10.454 1.00 0.00 C ATOM 369 CG GLU A 29 6.059 23.808 -9.443 1.00 0.00 C ATOM 370 CD GLU A 29 5.702 24.255 -8.024 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.118 25.337 -7.642 1.00 0.00 O ATOM 372 OE2 GLU A 29 5.020 23.507 -7.343 1.00 0.00 O ATOM 0 H GLU A 29 4.059 25.440 -12.930 1.00 0.00 H new ATOM 0 HA GLU A 29 5.999 23.376 -11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.110 25.612 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.511 25.187 -10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.695 22.796 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.142 23.783 -9.566 1.00 0.00 H new ATOM 379 N GLY A 30 4.009 21.983 -11.163 1.00 0.00 N ATOM 380 CA GLY A 30 2.805 21.120 -11.001 1.00 0.00 C ATOM 381 C GLY A 30 3.216 19.652 -11.115 1.00 0.00 C ATOM 382 O GLY A 30 4.040 19.291 -11.931 1.00 0.00 O ATOM 0 H GLY A 30 4.892 21.549 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.339 21.305 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.065 21.362 -11.763 1.00 0.00 H new ATOM 386 N LEU A 31 2.651 18.801 -10.303 1.00 0.00 N ATOM 387 CA LEU A 31 3.014 17.358 -10.366 1.00 0.00 C ATOM 388 C LEU A 31 2.682 16.807 -11.754 1.00 0.00 C ATOM 389 O LEU A 31 3.245 15.822 -12.191 1.00 0.00 O ATOM 390 CB LEU A 31 2.224 16.585 -9.308 1.00 0.00 C ATOM 391 CG LEU A 31 2.539 15.093 -9.420 1.00 0.00 C ATOM 392 CD1 LEU A 31 4.048 14.890 -9.580 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.071 14.380 -8.152 1.00 0.00 C ATOM 0 H LEU A 31 1.954 19.043 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 31 4.081 17.245 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.480 16.947 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.155 16.752 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 31 2.024 14.683 -10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.265 13.825 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.390 15.398 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.565 15.302 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.294 13.316 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.588 14.797 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.996 14.517 -8.033 1.00 0.00 H new ATOM 405 N CYS A 32 1.771 17.428 -12.450 1.00 0.00 N ATOM 406 CA CYS A 32 1.407 16.931 -13.807 1.00 0.00 C ATOM 407 C CYS A 32 1.738 18.002 -14.849 1.00 0.00 C ATOM 408 O CYS A 32 0.958 18.276 -15.739 1.00 0.00 O ATOM 409 CB CYS A 32 -0.092 16.618 -13.854 1.00 0.00 C ATOM 410 SG CYS A 32 -0.616 15.909 -12.272 1.00 0.00 S ATOM 0 H CYS A 32 1.264 18.256 -12.139 1.00 0.00 H new ATOM 0 HA CYS A 32 1.973 16.025 -14.025 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.657 17.527 -14.061 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.303 15.920 -14.664 1.00 0.00 H new ATOM 415 N CYS A 33 2.888 18.610 -14.748 1.00 0.00 N ATOM 416 CA CYS A 33 3.260 19.661 -15.738 1.00 0.00 C ATOM 417 C CYS A 33 4.707 19.450 -16.196 1.00 0.00 C ATOM 418 O CYS A 33 5.643 19.668 -15.453 1.00 0.00 O ATOM 419 CB CYS A 33 3.122 21.044 -15.094 1.00 0.00 C ATOM 420 SG CYS A 33 3.239 22.318 -16.372 1.00 0.00 S ATOM 0 H CYS A 33 3.584 18.426 -14.026 1.00 0.00 H new ATOM 0 HA CYS A 33 2.596 19.595 -16.600 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.167 21.121 -14.575 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.903 21.189 -14.348 1.00 0.00 H new ATOM 425 N GLU A 34 4.893 19.034 -17.419 1.00 0.00 N ATOM 426 CA GLU A 34 6.274 18.815 -17.935 1.00 0.00 C ATOM 427 C GLU A 34 6.483 19.681 -19.179 1.00 0.00 C ATOM 428 O GLU A 34 5.579 19.877 -19.966 1.00 0.00 O ATOM 429 CB GLU A 34 6.458 17.340 -18.301 1.00 0.00 C ATOM 430 CG GLU A 34 6.531 16.502 -17.023 1.00 0.00 C ATOM 431 CD GLU A 34 6.323 15.027 -17.367 1.00 0.00 C ATOM 432 OE1 GLU A 34 5.236 14.688 -17.805 1.00 0.00 O ATOM 433 OE2 GLU A 34 7.254 14.259 -17.187 1.00 0.00 O ATOM 0 H GLU A 34 4.146 18.836 -18.085 1.00 0.00 H new ATOM 0 HA GLU A 34 7.001 19.087 -17.169 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.629 17.003 -18.923 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.369 17.210 -18.886 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.498 16.641 -16.539 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.771 16.832 -16.315 1.00 0.00 H new ATOM 440 N GLN A 35 7.663 20.207 -19.363 1.00 0.00 N ATOM 441 CA GLN A 35 7.910 21.064 -20.557 1.00 0.00 C ATOM 442 C GLN A 35 6.973 22.271 -20.503 1.00 0.00 C ATOM 443 O GLN A 35 6.556 22.792 -21.518 1.00 0.00 O ATOM 444 CB GLN A 35 7.631 20.263 -21.830 1.00 0.00 C ATOM 445 CG GLN A 35 8.938 19.666 -22.355 1.00 0.00 C ATOM 446 CD GLN A 35 9.142 20.089 -23.810 1.00 0.00 C ATOM 447 OE1 GLN A 35 8.189 20.304 -24.533 1.00 0.00 O ATOM 448 NE2 GLN A 35 10.354 20.221 -24.275 1.00 0.00 N ATOM 0 H GLN A 35 8.463 20.082 -18.742 1.00 0.00 H new ATOM 0 HA GLN A 35 8.948 21.398 -20.562 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.914 19.469 -21.623 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.183 20.907 -22.587 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.776 20.005 -21.746 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.909 18.579 -22.282 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.155 20.041 -23.670 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.500 20.504 -25.244 1.00 0.00 H new ATOM 457 N CYS A 36 6.633 22.712 -19.323 1.00 0.00 N ATOM 458 CA CYS A 36 5.715 23.876 -19.192 1.00 0.00 C ATOM 459 C CYS A 36 4.349 23.509 -19.780 1.00 0.00 C ATOM 460 O CYS A 36 3.610 24.356 -20.241 1.00 0.00 O ATOM 461 CB CYS A 36 6.294 25.082 -19.936 1.00 0.00 C ATOM 462 SG CYS A 36 7.793 25.645 -19.091 1.00 0.00 S ATOM 0 H CYS A 36 6.954 22.313 -18.441 1.00 0.00 H new ATOM 0 HA CYS A 36 5.601 24.133 -18.139 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.524 24.812 -20.967 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.560 25.887 -19.974 1.00 0.00 H new ATOM 467 N LYS A 37 4.009 22.247 -19.758 1.00 0.00 N ATOM 468 CA LYS A 37 2.692 21.813 -20.308 1.00 0.00 C ATOM 469 C LYS A 37 2.107 20.728 -19.399 1.00 0.00 C ATOM 470 O LYS A 37 2.814 20.099 -18.638 1.00 0.00 O ATOM 471 CB LYS A 37 2.873 21.247 -21.721 1.00 0.00 C ATOM 472 CG LYS A 37 4.102 21.876 -22.381 1.00 0.00 C ATOM 473 CD LYS A 37 4.087 21.571 -23.880 1.00 0.00 C ATOM 474 CE LYS A 37 4.359 22.856 -24.664 1.00 0.00 C ATOM 475 NZ LYS A 37 5.806 22.928 -25.016 1.00 0.00 N ATOM 0 H LYS A 37 4.589 21.497 -19.382 1.00 0.00 H new ATOM 0 HA LYS A 37 2.019 22.669 -20.352 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.988 20.164 -21.676 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.985 21.449 -22.320 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.104 22.954 -22.218 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.012 21.483 -21.928 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.842 20.821 -24.117 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.122 21.154 -24.168 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.752 22.877 -25.569 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.075 23.724 -24.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.991 23.802 -25.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.375 22.926 -24.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.063 22.106 -25.599 1.00 0.00 H new ATOM 489 N PHE A 38 0.823 20.502 -19.469 1.00 0.00 N ATOM 490 CA PHE A 38 0.207 19.456 -18.604 1.00 0.00 C ATOM 491 C PHE A 38 0.667 18.073 -19.070 1.00 0.00 C ATOM 492 O PHE A 38 0.825 17.825 -20.250 1.00 0.00 O ATOM 493 CB PHE A 38 -1.317 19.542 -18.699 1.00 0.00 C ATOM 494 CG PHE A 38 -1.754 20.974 -18.504 1.00 0.00 C ATOM 495 CD1 PHE A 38 -1.204 21.739 -17.469 1.00 0.00 C ATOM 496 CD2 PHE A 38 -2.708 21.536 -19.359 1.00 0.00 C ATOM 497 CE1 PHE A 38 -1.608 23.067 -17.288 1.00 0.00 C ATOM 498 CE2 PHE A 38 -3.113 22.865 -19.179 1.00 0.00 C ATOM 499 CZ PHE A 38 -2.563 23.630 -18.143 1.00 0.00 C ATOM 0 H PHE A 38 0.176 20.994 -20.085 1.00 0.00 H new ATOM 0 HA PHE A 38 0.515 19.615 -17.571 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.653 19.177 -19.670 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.776 18.905 -17.943 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.467 21.304 -16.810 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.132 20.946 -20.158 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.183 23.657 -16.489 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.849 23.299 -19.839 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.876 24.654 -18.004 1.00 0.00 H new ATOM 509 N SER A 39 0.887 17.170 -18.153 1.00 0.00 N ATOM 510 CA SER A 39 1.339 15.806 -18.543 1.00 0.00 C ATOM 511 C SER A 39 0.289 15.162 -19.461 1.00 0.00 C ATOM 512 O SER A 39 0.132 15.554 -20.599 1.00 0.00 O ATOM 513 CB SER A 39 1.535 14.957 -17.286 1.00 0.00 C ATOM 514 OG SER A 39 2.666 15.434 -16.569 1.00 0.00 O ATOM 0 H SER A 39 0.773 17.319 -17.150 1.00 0.00 H new ATOM 0 HA SER A 39 2.286 15.870 -19.079 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.645 15.005 -16.658 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.677 13.911 -17.558 1.00 0.00 H new ATOM 0 HG SER A 39 3.486 15.154 -17.027 1.00 0.00 H new ATOM 520 N ARG A 40 -0.429 14.177 -18.984 1.00 0.00 N ATOM 521 CA ARG A 40 -1.455 13.526 -19.846 1.00 0.00 C ATOM 522 C ARG A 40 -2.698 13.203 -19.013 1.00 0.00 C ATOM 523 O ARG A 40 -2.647 13.146 -17.801 1.00 0.00 O ATOM 524 CB ARG A 40 -0.884 12.233 -20.430 1.00 0.00 C ATOM 525 CG ARG A 40 -0.375 12.495 -21.848 1.00 0.00 C ATOM 526 CD ARG A 40 0.411 11.279 -22.341 1.00 0.00 C ATOM 527 NE ARG A 40 0.572 11.358 -23.819 1.00 0.00 N ATOM 528 CZ ARG A 40 1.685 10.965 -24.376 1.00 0.00 C ATOM 529 NH1 ARG A 40 2.152 9.772 -24.127 1.00 0.00 N ATOM 530 NH2 ARG A 40 2.329 11.765 -25.181 1.00 0.00 N ATOM 0 H ARG A 40 -0.348 13.799 -18.040 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.728 14.203 -20.656 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.072 11.866 -19.803 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.651 11.458 -20.445 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.213 12.694 -22.516 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.260 13.381 -21.860 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.388 11.245 -21.859 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.111 10.361 -22.070 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.187 11.719 -24.396 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.647 9.148 -23.498 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.022 9.464 -24.562 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.963 12.697 -25.375 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.199 11.458 -25.617 1.00 0.00 H new ATOM 544 N ALA A 41 -3.813 12.989 -19.656 1.00 0.00 N ATOM 545 CA ALA A 41 -5.057 12.666 -18.903 1.00 0.00 C ATOM 546 C ALA A 41 -4.885 11.314 -18.209 1.00 0.00 C ATOM 547 O ALA A 41 -4.717 10.295 -18.849 1.00 0.00 O ATOM 548 CB ALA A 41 -6.239 12.596 -19.872 1.00 0.00 C ATOM 0 H ALA A 41 -3.916 13.024 -20.670 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.247 13.440 -18.159 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.149 12.360 -19.320 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.357 13.557 -20.372 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.054 11.821 -20.616 1.00 0.00 H new ATOM 554 N GLY A 42 -4.923 11.296 -16.907 1.00 0.00 N ATOM 555 CA GLY A 42 -4.757 10.009 -16.176 1.00 0.00 C ATOM 556 C GLY A 42 -3.297 9.863 -15.740 1.00 0.00 C ATOM 557 O GLY A 42 -2.767 8.771 -15.672 1.00 0.00 O ATOM 0 H GLY A 42 -5.062 12.116 -16.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.413 9.984 -15.306 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.043 9.174 -16.816 1.00 0.00 H new ATOM 561 N LYS A 43 -2.645 10.954 -15.446 1.00 0.00 N ATOM 562 CA LYS A 43 -1.219 10.880 -15.016 1.00 0.00 C ATOM 563 C LYS A 43 -1.159 10.593 -13.513 1.00 0.00 C ATOM 564 O LYS A 43 -1.681 11.334 -12.709 1.00 0.00 O ATOM 565 CB LYS A 43 -0.529 12.214 -15.317 1.00 0.00 C ATOM 566 CG LYS A 43 0.804 12.287 -14.570 1.00 0.00 C ATOM 567 CD LYS A 43 1.733 11.181 -15.074 1.00 0.00 C ATOM 568 CE LYS A 43 3.181 11.527 -14.718 1.00 0.00 C ATOM 569 NZ LYS A 43 4.071 10.397 -15.110 1.00 0.00 N ATOM 0 H LYS A 43 -3.038 11.895 -15.485 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.711 10.082 -15.557 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.361 12.314 -16.389 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.171 13.042 -15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.266 13.262 -14.723 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.639 12.177 -13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.456 10.227 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.630 11.069 -16.153 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.485 12.439 -15.231 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.268 11.719 -13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.055 10.631 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.784 9.537 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.995 10.234 -16.134 1.00 0.00 H new ATOM 583 N ILE A 44 -0.532 9.518 -13.127 1.00 0.00 N ATOM 584 CA ILE A 44 -0.456 9.180 -11.677 1.00 0.00 C ATOM 585 C ILE A 44 0.243 10.306 -10.910 1.00 0.00 C ATOM 586 O ILE A 44 1.389 10.626 -11.156 1.00 0.00 O ATOM 587 CB ILE A 44 0.331 7.882 -11.501 1.00 0.00 C ATOM 588 CG1 ILE A 44 -0.430 6.731 -12.163 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.506 7.583 -10.011 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.850 6.665 -11.595 1.00 0.00 C ATOM 0 H ILE A 44 -0.069 8.858 -13.752 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.466 9.056 -11.286 1.00 0.00 H new ATOM 0 HB ILE A 44 1.311 7.989 -11.966 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.465 6.877 -13.243 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.088 5.789 -11.986 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.068 6.657 -9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.048 8.401 -9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.473 7.478 -9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.393 5.845 -12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.804 6.499 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.366 7.604 -11.795 1.00 0.00 H new ATOM 602 N CYS A 45 -0.445 10.901 -9.974 1.00 0.00 N ATOM 603 CA CYS A 45 0.165 12.003 -9.173 1.00 0.00 C ATOM 604 C CYS A 45 0.334 11.542 -7.723 1.00 0.00 C ATOM 605 O CYS A 45 1.019 12.165 -6.936 1.00 0.00 O ATOM 606 CB CYS A 45 -0.749 13.230 -9.212 1.00 0.00 C ATOM 607 SG CYS A 45 -2.470 12.712 -8.996 1.00 0.00 S ATOM 0 H CYS A 45 -1.408 10.671 -9.728 1.00 0.00 H new ATOM 0 HA CYS A 45 1.138 12.261 -9.591 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.468 13.930 -8.426 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.632 13.753 -10.161 1.00 0.00 H new ATOM 612 N ARG A 46 -0.286 10.453 -7.362 1.00 0.00 N ATOM 613 CA ARG A 46 -0.161 9.950 -5.967 1.00 0.00 C ATOM 614 C ARG A 46 -0.556 8.476 -5.931 1.00 0.00 C ATOM 615 O ARG A 46 -1.713 8.129 -6.068 1.00 0.00 O ATOM 616 CB ARG A 46 -1.084 10.756 -5.048 1.00 0.00 C ATOM 617 CG ARG A 46 -0.240 11.625 -4.114 1.00 0.00 C ATOM 618 CD ARG A 46 -0.980 12.931 -3.824 1.00 0.00 C ATOM 619 NE ARG A 46 -0.142 14.084 -4.259 1.00 0.00 N ATOM 620 CZ ARG A 46 0.686 14.642 -3.419 1.00 0.00 C ATOM 621 NH1 ARG A 46 0.308 14.882 -2.193 1.00 0.00 N ATOM 622 NH2 ARG A 46 1.891 14.961 -3.805 1.00 0.00 N ATOM 0 H ARG A 46 -0.875 9.889 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 46 0.868 10.060 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.750 11.382 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.714 10.083 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.043 11.092 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.727 11.836 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.936 12.944 -4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.199 13.008 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.216 14.437 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.634 14.633 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.955 15.318 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.186 14.774 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.538 15.397 -3.148 1.00 0.00 H new ATOM 636 N ILE A 47 0.396 7.603 -5.757 1.00 0.00 N ATOM 637 CA ILE A 47 0.073 6.152 -5.724 1.00 0.00 C ATOM 638 C ILE A 47 0.655 5.520 -4.455 1.00 0.00 C ATOM 639 O ILE A 47 1.796 5.766 -4.117 1.00 0.00 O ATOM 640 CB ILE A 47 0.681 5.476 -6.968 1.00 0.00 C ATOM 641 CG1 ILE A 47 -0.243 4.357 -7.445 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.060 4.878 -6.645 1.00 0.00 C ATOM 643 CD1 ILE A 47 -0.037 4.140 -8.941 1.00 0.00 C ATOM 0 H ILE A 47 1.383 7.832 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.008 6.016 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 47 0.794 6.230 -7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.032 3.437 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.282 4.616 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.470 4.406 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.731 5.670 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.958 4.134 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.694 3.342 -9.287 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.270 5.060 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.000 3.863 -9.129 1.00 0.00 H new ATOM 755 N ASP A 54 -5.259 4.598 -7.277 1.00 0.00 N ATOM 756 CA ASP A 54 -4.154 5.529 -7.637 1.00 0.00 C ATOM 757 C ASP A 54 -4.732 6.855 -8.136 1.00 0.00 C ATOM 758 O ASP A 54 -5.531 6.893 -9.050 1.00 0.00 O ATOM 759 CB ASP A 54 -3.301 4.904 -8.743 1.00 0.00 C ATOM 760 CG ASP A 54 -3.151 3.403 -8.486 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.730 3.048 -7.398 1.00 0.00 O ATOM 762 OD2 ASP A 54 -3.460 2.635 -9.382 1.00 0.00 O ATOM 0 HA ASP A 54 -3.540 5.712 -6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.766 5.073 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.320 5.378 -8.772 1.00 0.00 H new ATOM 767 N ASP A 55 -4.324 7.946 -7.547 1.00 0.00 N ATOM 768 CA ASP A 55 -4.837 9.273 -7.991 1.00 0.00 C ATOM 769 C ASP A 55 -4.078 9.700 -9.248 1.00 0.00 C ATOM 770 O ASP A 55 -2.864 9.705 -9.276 1.00 0.00 O ATOM 771 CB ASP A 55 -4.611 10.301 -6.882 1.00 0.00 C ATOM 772 CG ASP A 55 -5.850 10.367 -5.986 1.00 0.00 C ATOM 773 OD1 ASP A 55 -6.802 9.660 -6.274 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.825 11.121 -5.028 1.00 0.00 O ATOM 0 H ASP A 55 -3.657 7.975 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.903 9.207 -8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.736 10.028 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.410 11.281 -7.315 1.00 0.00 H new ATOM 779 N ARG A 56 -4.776 10.050 -10.294 1.00 0.00 N ATOM 780 CA ARG A 56 -4.076 10.461 -11.544 1.00 0.00 C ATOM 781 C ARG A 56 -4.466 11.894 -11.916 1.00 0.00 C ATOM 782 O ARG A 56 -5.377 12.468 -11.355 1.00 0.00 O ATOM 783 CB ARG A 56 -4.453 9.518 -12.695 1.00 0.00 C ATOM 784 CG ARG A 56 -5.031 8.212 -12.140 1.00 0.00 C ATOM 785 CD ARG A 56 -5.287 7.237 -13.289 1.00 0.00 C ATOM 786 NE ARG A 56 -6.702 7.365 -13.742 1.00 0.00 N ATOM 787 CZ ARG A 56 -7.409 6.296 -13.981 1.00 0.00 C ATOM 788 NH1 ARG A 56 -6.852 5.254 -14.537 1.00 0.00 N ATOM 789 NH2 ARG A 56 -8.675 6.264 -13.664 1.00 0.00 N ATOM 0 H ARG A 56 -5.795 10.069 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.001 10.410 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.183 10.000 -13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.574 9.306 -13.304 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.338 7.771 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.959 8.412 -11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.609 7.446 -14.116 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.089 6.215 -12.965 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.117 8.289 -13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.863 5.276 -14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.406 4.418 -14.723 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.112 7.076 -13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.227 5.427 -13.852 1.00 0.00 H new ATOM 803 N CYS A 57 -3.776 12.473 -12.863 1.00 0.00 N ATOM 804 CA CYS A 57 -4.095 13.867 -13.281 1.00 0.00 C ATOM 805 C CYS A 57 -5.164 13.842 -14.376 1.00 0.00 C ATOM 806 O CYS A 57 -5.356 12.846 -15.046 1.00 0.00 O ATOM 807 CB CYS A 57 -2.831 14.541 -13.823 1.00 0.00 C ATOM 808 SG CYS A 57 -1.422 14.123 -12.764 1.00 0.00 S ATOM 0 H CYS A 57 -3.003 12.038 -13.366 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.467 14.425 -12.421 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.641 14.213 -14.845 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.968 15.622 -13.855 1.00 0.00 H new ATOM 813 N THR A 58 -5.862 14.931 -14.560 1.00 0.00 N ATOM 814 CA THR A 58 -6.919 14.971 -15.609 1.00 0.00 C ATOM 815 C THR A 58 -6.288 15.279 -16.970 1.00 0.00 C ATOM 816 O THR A 58 -6.963 15.341 -17.978 1.00 0.00 O ATOM 817 CB THR A 58 -7.937 16.059 -15.260 1.00 0.00 C ATOM 818 OG1 THR A 58 -7.420 17.328 -15.637 1.00 0.00 O ATOM 819 CG2 THR A 58 -8.207 16.042 -13.753 1.00 0.00 C ATOM 0 H THR A 58 -5.745 15.794 -14.029 1.00 0.00 H new ATOM 0 HA THR A 58 -7.418 14.003 -15.657 1.00 0.00 H new ATOM 0 HB THR A 58 -8.868 15.873 -15.796 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.894 18.033 -15.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.932 16.817 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.604 15.068 -13.465 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.278 16.229 -13.215 1.00 0.00 H new ATOM 827 N GLY A 59 -4.996 15.468 -17.009 1.00 0.00 N ATOM 828 CA GLY A 59 -4.327 15.767 -18.306 1.00 0.00 C ATOM 829 C GLY A 59 -4.229 17.282 -18.497 1.00 0.00 C ATOM 830 O GLY A 59 -3.280 17.786 -19.066 1.00 0.00 O ATOM 0 H GLY A 59 -4.377 15.428 -16.200 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.332 15.323 -18.324 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.889 15.323 -19.127 1.00 0.00 H new ATOM 834 N GLN A 60 -5.203 18.014 -18.028 1.00 0.00 N ATOM 835 CA GLN A 60 -5.163 19.495 -18.186 1.00 0.00 C ATOM 836 C GLN A 60 -4.742 20.141 -16.865 1.00 0.00 C ATOM 837 O GLN A 60 -4.222 21.239 -16.839 1.00 0.00 O ATOM 838 CB GLN A 60 -6.551 20.005 -18.580 1.00 0.00 C ATOM 839 CG GLN A 60 -7.512 19.829 -17.403 1.00 0.00 C ATOM 840 CD GLN A 60 -7.967 21.201 -16.904 1.00 0.00 C ATOM 841 OE1 GLN A 60 -7.456 22.217 -17.332 1.00 0.00 O ATOM 842 NE2 GLN A 60 -8.914 21.275 -16.010 1.00 0.00 N ATOM 0 H GLN A 60 -6.023 17.651 -17.543 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.444 19.755 -18.963 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.497 21.056 -18.865 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.918 19.458 -19.448 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.375 19.238 -17.710 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.021 19.282 -16.598 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.343 20.423 -15.650 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.225 22.185 -15.671 1.00 0.00 H new ATOM 851 N SER A 61 -4.962 19.470 -15.768 1.00 0.00 N ATOM 852 CA SER A 61 -4.573 20.051 -14.452 1.00 0.00 C ATOM 853 C SER A 61 -3.063 19.902 -14.254 1.00 0.00 C ATOM 854 O SER A 61 -2.506 18.838 -14.435 1.00 0.00 O ATOM 855 CB SER A 61 -5.308 19.315 -13.331 1.00 0.00 C ATOM 856 OG SER A 61 -4.612 19.511 -12.107 1.00 0.00 O ATOM 0 H SER A 61 -5.393 18.547 -15.726 1.00 0.00 H new ATOM 0 HA SER A 61 -4.840 21.107 -14.429 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.330 19.685 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.373 18.251 -13.560 1.00 0.00 H new ATOM 0 HG SER A 61 -3.932 18.813 -12.002 1.00 0.00 H new ATOM 862 N ALA A 62 -2.398 20.961 -13.880 1.00 0.00 N ATOM 863 CA ALA A 62 -0.925 20.881 -13.668 1.00 0.00 C ATOM 864 C ALA A 62 -0.640 20.095 -12.387 1.00 0.00 C ATOM 865 O ALA A 62 -0.124 18.997 -12.423 1.00 0.00 O ATOM 866 CB ALA A 62 -0.350 22.293 -13.540 1.00 0.00 C ATOM 0 H ALA A 62 -2.811 21.878 -13.712 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.461 20.377 -14.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.727 22.234 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.555 22.854 -14.452 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.812 22.798 -12.692 1.00 0.00 H new ATOM 872 N ASP A 63 -0.975 20.650 -11.254 1.00 0.00 N ATOM 873 CA ASP A 63 -0.724 19.933 -9.973 1.00 0.00 C ATOM 874 C ASP A 63 -1.884 18.978 -9.693 1.00 0.00 C ATOM 875 O ASP A 63 -2.967 19.127 -10.222 1.00 0.00 O ATOM 876 CB ASP A 63 -0.605 20.947 -8.833 1.00 0.00 C ATOM 877 CG ASP A 63 -1.893 21.767 -8.742 1.00 0.00 C ATOM 878 OD1 ASP A 63 -2.271 22.356 -9.741 1.00 0.00 O ATOM 879 OD2 ASP A 63 -2.480 21.795 -7.672 1.00 0.00 O ATOM 0 H ASP A 63 -1.411 21.567 -11.161 1.00 0.00 H new ATOM 0 HA ASP A 63 0.204 19.366 -10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.423 20.431 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.246 21.605 -9.005 1.00 0.00 H new ATOM 884 N CYS A 64 -1.663 17.990 -8.869 1.00 0.00 N ATOM 885 CA CYS A 64 -2.750 17.022 -8.561 1.00 0.00 C ATOM 886 C CYS A 64 -3.533 17.488 -7.337 1.00 0.00 C ATOM 887 O CYS A 64 -2.985 17.613 -6.259 1.00 0.00 O ATOM 888 CB CYS A 64 -2.140 15.647 -8.289 1.00 0.00 C ATOM 889 SG CYS A 64 -3.434 14.384 -8.394 1.00 0.00 S ATOM 0 H CYS A 64 -0.776 17.813 -8.397 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.429 16.960 -9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.352 15.437 -9.012 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.679 15.630 -7.301 1.00 0.00 H new ATOM 894 N PRO A 65 -4.801 17.731 -7.546 1.00 0.00 N ATOM 895 CA PRO A 65 -5.702 18.186 -6.482 1.00 0.00 C ATOM 896 C PRO A 65 -6.124 17.009 -5.597 1.00 0.00 C ATOM 897 O PRO A 65 -5.552 15.938 -5.657 1.00 0.00 O ATOM 898 CB PRO A 65 -6.897 18.747 -7.251 1.00 0.00 C ATOM 899 CG PRO A 65 -6.879 18.097 -8.650 1.00 0.00 C ATOM 900 CD PRO A 65 -5.455 17.574 -8.865 1.00 0.00 C ATOM 0 HA PRO A 65 -5.247 18.917 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.829 18.521 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.830 19.832 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.604 17.285 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.147 18.822 -9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.459 16.532 -9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.935 18.142 -9.636 1.00 0.00 H new