USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=8 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 58 THR OG1 : rot -83:sc= 0.465 USER MOD Set 1.2: A 61 SER OG : rot 160:sc= 0.477 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.8) USER MOD Single : A 18 THR OG1 : rot -30:sc= 1.13 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -8.33! C(o=-8.3!,f=-13!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.125) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -5.58! (180deg=-7!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -1.606 33.925 -7.582 1.00 0.00 N ATOM 33 CA GLU A 3 -1.006 34.773 -8.648 1.00 0.00 C ATOM 34 C GLU A 3 0.050 33.968 -9.404 1.00 0.00 C ATOM 35 O GLU A 3 0.447 34.318 -10.497 1.00 0.00 O ATOM 36 CB GLU A 3 -0.355 36.004 -8.014 1.00 0.00 C ATOM 37 CG GLU A 3 0.523 35.571 -6.838 1.00 0.00 C ATOM 38 CD GLU A 3 1.495 36.699 -6.484 1.00 0.00 C ATOM 39 OE1 GLU A 3 1.182 37.840 -6.782 1.00 0.00 O ATOM 40 OE2 GLU A 3 2.536 36.402 -5.921 1.00 0.00 O ATOM 0 HA GLU A 3 -1.784 35.092 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.246 36.532 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.122 36.698 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.099 35.329 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.076 34.668 -7.096 1.00 0.00 H new ATOM 47 N CYS A 4 0.503 32.887 -8.833 1.00 0.00 N ATOM 48 CA CYS A 4 1.528 32.057 -9.523 1.00 0.00 C ATOM 49 C CYS A 4 0.896 30.734 -9.964 1.00 0.00 C ATOM 50 O CYS A 4 0.391 29.979 -9.156 1.00 0.00 O ATOM 51 CB CYS A 4 2.693 31.776 -8.571 1.00 0.00 C ATOM 52 SG CYS A 4 3.534 33.325 -8.158 1.00 0.00 S ATOM 0 H CYS A 4 0.208 32.543 -7.919 1.00 0.00 H new ATOM 0 HA CYS A 4 1.900 32.593 -10.396 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.326 31.298 -7.663 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.395 31.083 -9.035 1.00 0.00 H new ATOM 57 N ASP A 5 0.918 30.449 -11.237 1.00 0.00 N ATOM 58 CA ASP A 5 0.314 29.177 -11.726 1.00 0.00 C ATOM 59 C ASP A 5 1.423 28.210 -12.148 1.00 0.00 C ATOM 60 O ASP A 5 1.189 27.263 -12.871 1.00 0.00 O ATOM 61 CB ASP A 5 -0.589 29.473 -12.923 1.00 0.00 C ATOM 62 CG ASP A 5 -1.580 28.323 -13.113 1.00 0.00 C ATOM 63 OD1 ASP A 5 -1.497 27.366 -12.361 1.00 0.00 O ATOM 64 OD2 ASP A 5 -2.406 28.420 -14.005 1.00 0.00 O ATOM 0 H ASP A 5 1.328 31.041 -11.959 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.274 28.724 -10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.127 30.408 -12.764 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.013 29.601 -13.823 1.00 0.00 H new ATOM 69 N CYS A 6 2.628 28.438 -11.701 1.00 0.00 N ATOM 70 CA CYS A 6 3.746 27.525 -12.078 1.00 0.00 C ATOM 71 C CYS A 6 4.873 27.644 -11.050 1.00 0.00 C ATOM 72 O CYS A 6 5.052 28.672 -10.426 1.00 0.00 O ATOM 73 CB CYS A 6 4.272 27.901 -13.465 1.00 0.00 C ATOM 74 SG CYS A 6 5.147 29.483 -13.382 1.00 0.00 S ATOM 0 H CYS A 6 2.887 29.215 -11.093 1.00 0.00 H new ATOM 0 HA CYS A 6 3.383 26.498 -12.098 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.942 27.124 -13.833 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.445 27.969 -14.171 1.00 0.00 H new ATOM 79 N SER A 7 5.632 26.599 -10.866 1.00 0.00 N ATOM 80 CA SER A 7 6.744 26.651 -9.875 1.00 0.00 C ATOM 81 C SER A 7 8.082 26.788 -10.606 1.00 0.00 C ATOM 82 O SER A 7 9.126 26.881 -9.993 1.00 0.00 O ATOM 83 CB SER A 7 6.746 25.364 -9.048 1.00 0.00 C ATOM 84 OG SER A 7 6.296 25.652 -7.730 1.00 0.00 O ATOM 0 H SER A 7 5.530 25.712 -11.359 1.00 0.00 H new ATOM 0 HA SER A 7 6.603 27.509 -9.218 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.099 24.619 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.749 24.939 -9.017 1.00 0.00 H new ATOM 0 HG SER A 7 6.294 24.829 -7.198 1.00 0.00 H new ATOM 90 N SER A 8 8.060 26.801 -11.911 1.00 0.00 N ATOM 91 CA SER A 8 9.332 26.931 -12.673 1.00 0.00 C ATOM 92 C SER A 8 9.470 28.367 -13.195 1.00 0.00 C ATOM 93 O SER A 8 8.567 28.878 -13.826 1.00 0.00 O ATOM 94 CB SER A 8 9.312 25.965 -13.858 1.00 0.00 C ATOM 95 OG SER A 8 10.460 25.129 -13.799 1.00 0.00 O ATOM 0 H SER A 8 7.217 26.727 -12.481 1.00 0.00 H new ATOM 0 HA SER A 8 10.173 26.696 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.405 25.360 -13.834 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.300 26.521 -14.796 1.00 0.00 H new ATOM 0 HG SER A 8 10.451 24.507 -14.556 1.00 0.00 H new ATOM 101 N PRO A 9 10.597 28.978 -12.917 1.00 0.00 N ATOM 102 CA PRO A 9 10.875 30.358 -13.351 1.00 0.00 C ATOM 103 C PRO A 9 11.286 30.379 -14.827 1.00 0.00 C ATOM 104 O PRO A 9 11.515 31.425 -15.403 1.00 0.00 O ATOM 105 CB PRO A 9 12.037 30.791 -12.453 1.00 0.00 C ATOM 106 CG PRO A 9 12.724 29.490 -11.972 1.00 0.00 C ATOM 107 CD PRO A 9 11.696 28.356 -12.148 1.00 0.00 C ATOM 0 HA PRO A 9 10.011 31.018 -13.266 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.738 31.421 -13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.677 31.376 -11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.624 29.290 -12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.030 29.577 -10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.126 27.508 -12.682 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.347 27.982 -11.185 1.00 0.00 H new ATOM 115 N GLU A 10 11.382 29.232 -15.443 1.00 0.00 N ATOM 116 CA GLU A 10 11.780 29.187 -16.879 1.00 0.00 C ATOM 117 C GLU A 10 10.569 28.815 -17.737 1.00 0.00 C ATOM 118 O GLU A 10 10.559 29.017 -18.935 1.00 0.00 O ATOM 119 CB GLU A 10 12.882 28.143 -17.071 1.00 0.00 C ATOM 120 CG GLU A 10 14.124 28.560 -16.282 1.00 0.00 C ATOM 121 CD GLU A 10 14.926 29.579 -17.092 1.00 0.00 C ATOM 122 OE1 GLU A 10 15.652 29.162 -17.981 1.00 0.00 O ATOM 123 OE2 GLU A 10 14.801 30.760 -16.811 1.00 0.00 O ATOM 0 H GLU A 10 11.202 28.324 -15.014 1.00 0.00 H new ATOM 0 HA GLU A 10 12.150 30.166 -17.182 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.535 27.166 -16.734 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.126 28.047 -18.129 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.832 28.990 -15.324 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.740 27.687 -16.065 1.00 0.00 H new ATOM 130 N ASN A 11 9.545 28.270 -17.137 1.00 0.00 N ATOM 131 CA ASN A 11 8.340 27.885 -17.925 1.00 0.00 C ATOM 132 C ASN A 11 7.911 29.067 -18.806 1.00 0.00 C ATOM 133 O ASN A 11 7.798 30.177 -18.326 1.00 0.00 O ATOM 134 CB ASN A 11 7.201 27.527 -16.968 1.00 0.00 C ATOM 135 CG ASN A 11 6.304 26.471 -17.616 1.00 0.00 C ATOM 136 OD1 ASN A 11 5.488 26.785 -18.460 1.00 0.00 O ATOM 137 ND2 ASN A 11 6.420 25.223 -17.254 1.00 0.00 N ATOM 0 H ASN A 11 9.491 28.075 -16.137 1.00 0.00 H new ATOM 0 HA ASN A 11 8.573 27.025 -18.553 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.606 27.149 -16.029 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.619 28.417 -16.729 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.826 24.511 -17.679 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.105 24.959 -16.546 1.00 0.00 H new ATOM 144 N PRO A 12 7.684 28.796 -20.068 1.00 0.00 N ATOM 145 CA PRO A 12 7.268 29.827 -21.035 1.00 0.00 C ATOM 146 C PRO A 12 5.777 30.142 -20.878 1.00 0.00 C ATOM 147 O PRO A 12 5.349 31.267 -21.042 1.00 0.00 O ATOM 148 CB PRO A 12 7.543 29.180 -22.394 1.00 0.00 C ATOM 149 CG PRO A 12 7.555 27.651 -22.153 1.00 0.00 C ATOM 150 CD PRO A 12 7.821 27.444 -20.651 1.00 0.00 C ATOM 0 HA PRO A 12 7.795 30.772 -20.902 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.775 29.454 -23.117 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.497 29.517 -22.799 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.603 27.206 -22.443 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.328 27.170 -22.753 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.107 26.747 -20.213 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.815 27.034 -20.476 1.00 0.00 H new ATOM 158 N CYS A 13 4.984 29.154 -20.568 1.00 0.00 N ATOM 159 CA CYS A 13 3.522 29.394 -20.408 1.00 0.00 C ATOM 160 C CYS A 13 3.288 30.476 -19.352 1.00 0.00 C ATOM 161 O CYS A 13 2.734 31.520 -19.633 1.00 0.00 O ATOM 162 CB CYS A 13 2.837 28.100 -19.969 1.00 0.00 C ATOM 163 SG CYS A 13 1.239 27.956 -20.807 1.00 0.00 S ATOM 0 H CYS A 13 5.285 28.191 -20.419 1.00 0.00 H new ATOM 0 HA CYS A 13 3.106 29.723 -21.360 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.465 27.242 -20.210 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.695 28.098 -18.888 1.00 0.00 H new ATOM 168 N CYS A 14 3.701 30.236 -18.137 1.00 0.00 N ATOM 169 CA CYS A 14 3.493 31.255 -17.069 1.00 0.00 C ATOM 170 C CYS A 14 4.584 32.323 -17.155 1.00 0.00 C ATOM 171 O CYS A 14 5.757 32.021 -17.240 1.00 0.00 O ATOM 172 CB CYS A 14 3.539 30.576 -15.697 1.00 0.00 C ATOM 173 SG CYS A 14 5.239 30.093 -15.307 1.00 0.00 S ATOM 0 H CYS A 14 4.172 29.382 -17.839 1.00 0.00 H new ATOM 0 HA CYS A 14 2.520 31.727 -17.205 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.160 31.254 -14.933 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.892 29.699 -15.694 1.00 0.00 H new ATOM 178 N ASP A 15 4.205 33.571 -17.134 1.00 0.00 N ATOM 179 CA ASP A 15 5.221 34.657 -17.212 1.00 0.00 C ATOM 180 C ASP A 15 5.915 34.794 -15.858 1.00 0.00 C ATOM 181 O ASP A 15 5.278 34.802 -14.823 1.00 0.00 O ATOM 182 CB ASP A 15 4.539 35.978 -17.570 1.00 0.00 C ATOM 183 CG ASP A 15 3.508 35.736 -18.671 1.00 0.00 C ATOM 184 OD1 ASP A 15 2.424 35.279 -18.348 1.00 0.00 O ATOM 185 OD2 ASP A 15 3.820 36.010 -19.818 1.00 0.00 O ATOM 0 H ASP A 15 3.237 33.885 -17.066 1.00 0.00 H new ATOM 0 HA ASP A 15 5.955 34.413 -17.980 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.054 36.400 -16.689 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.280 36.704 -17.904 1.00 0.00 H new ATOM 190 N ALA A 16 7.216 34.901 -15.859 1.00 0.00 N ATOM 191 CA ALA A 16 7.955 35.037 -14.575 1.00 0.00 C ATOM 192 C ALA A 16 7.520 36.325 -13.873 1.00 0.00 C ATOM 193 O ALA A 16 7.578 36.436 -12.665 1.00 0.00 O ATOM 194 CB ALA A 16 9.458 35.090 -14.857 1.00 0.00 C ATOM 0 H ALA A 16 7.799 34.900 -16.696 1.00 0.00 H new ATOM 0 HA ALA A 16 7.736 34.183 -13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.001 35.190 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.767 34.173 -15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.678 35.945 -15.496 1.00 0.00 H new ATOM 200 N ALA A 17 7.080 37.299 -14.623 1.00 0.00 N ATOM 201 CA ALA A 17 6.638 38.577 -13.999 1.00 0.00 C ATOM 202 C ALA A 17 5.502 38.291 -13.016 1.00 0.00 C ATOM 203 O ALA A 17 5.593 38.590 -11.841 1.00 0.00 O ATOM 204 CB ALA A 17 6.146 39.532 -15.089 1.00 0.00 C ATOM 0 H ALA A 17 7.008 37.264 -15.640 1.00 0.00 H new ATOM 0 HA ALA A 17 7.473 39.035 -13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.822 40.468 -14.634 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.956 39.731 -15.791 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.309 39.078 -15.620 1.00 0.00 H new ATOM 210 N THR A 18 4.433 37.708 -13.486 1.00 0.00 N ATOM 211 CA THR A 18 3.293 37.397 -12.580 1.00 0.00 C ATOM 212 C THR A 18 3.203 35.881 -12.383 1.00 0.00 C ATOM 213 O THR A 18 2.174 35.358 -12.001 1.00 0.00 O ATOM 214 CB THR A 18 1.991 37.910 -13.199 1.00 0.00 C ATOM 215 OG1 THR A 18 0.896 37.531 -12.378 1.00 0.00 O ATOM 216 CG2 THR A 18 1.818 37.309 -14.596 1.00 0.00 C ATOM 0 H THR A 18 4.301 37.434 -14.459 1.00 0.00 H new ATOM 0 HA THR A 18 3.450 37.883 -11.617 1.00 0.00 H new ATOM 0 HB THR A 18 2.027 38.997 -13.275 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.103 36.687 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.891 37.674 -15.037 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.659 37.602 -15.225 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.781 36.222 -14.522 1.00 0.00 H new ATOM 224 N CYS A 19 4.276 35.177 -12.646 1.00 0.00 N ATOM 225 CA CYS A 19 4.280 33.689 -12.481 1.00 0.00 C ATOM 226 C CYS A 19 2.937 33.113 -12.932 1.00 0.00 C ATOM 227 O CYS A 19 2.431 32.173 -12.353 1.00 0.00 O ATOM 228 CB CYS A 19 4.549 33.309 -11.015 1.00 0.00 C ATOM 229 SG CYS A 19 3.583 34.356 -9.896 1.00 0.00 S ATOM 0 H CYS A 19 5.158 35.573 -12.971 1.00 0.00 H new ATOM 0 HA CYS A 19 5.075 33.272 -13.098 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.294 32.262 -10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.611 33.416 -10.795 1.00 0.00 H new ATOM 234 N LYS A 20 2.350 33.666 -13.957 1.00 0.00 N ATOM 235 CA LYS A 20 1.035 33.142 -14.426 1.00 0.00 C ATOM 236 C LYS A 20 1.037 32.993 -15.949 1.00 0.00 C ATOM 237 O LYS A 20 1.813 33.615 -16.647 1.00 0.00 O ATOM 238 CB LYS A 20 -0.076 34.110 -14.011 1.00 0.00 C ATOM 239 CG LYS A 20 -0.759 33.591 -12.744 1.00 0.00 C ATOM 240 CD LYS A 20 -2.085 32.926 -13.114 1.00 0.00 C ATOM 241 CE LYS A 20 -3.199 33.975 -13.118 1.00 0.00 C ATOM 242 NZ LYS A 20 -4.522 33.295 -13.205 1.00 0.00 N ATOM 0 H LYS A 20 2.721 34.454 -14.488 1.00 0.00 H new ATOM 0 HA LYS A 20 0.862 32.165 -13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.339 35.102 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.805 34.210 -14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.111 32.877 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.934 34.413 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.008 32.458 -14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.319 32.135 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.148 34.579 -12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.071 34.654 -13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.279 34.008 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.569 32.737 -14.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.643 32.665 -12.387 1.00 0.00 H new ATOM 256 N LEU A 21 0.166 32.168 -16.467 1.00 0.00 N ATOM 257 CA LEU A 21 0.101 31.964 -17.942 1.00 0.00 C ATOM 258 C LEU A 21 -0.440 33.229 -18.613 1.00 0.00 C ATOM 259 O LEU A 21 -1.468 33.756 -18.236 1.00 0.00 O ATOM 260 CB LEU A 21 -0.819 30.778 -18.243 1.00 0.00 C ATOM 261 CG LEU A 21 -0.633 29.708 -17.163 1.00 0.00 C ATOM 262 CD1 LEU A 21 -1.879 29.642 -16.279 1.00 0.00 C ATOM 263 CD2 LEU A 21 -0.411 28.348 -17.825 1.00 0.00 C ATOM 0 H LEU A 21 -0.507 31.624 -15.927 1.00 0.00 H new ATOM 0 HA LEU A 21 1.098 31.758 -18.330 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.858 31.107 -18.271 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.589 30.364 -19.225 1.00 0.00 H new ATOM 0 HG LEU A 21 0.232 29.964 -16.551 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.741 28.879 -15.513 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.039 30.610 -15.803 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.746 29.390 -16.890 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.279 27.587 -17.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.276 28.097 -18.439 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.480 28.390 -18.452 1.00 0.00 H new ATOM 275 N ARG A 22 0.255 33.722 -19.601 1.00 0.00 N ATOM 276 CA ARG A 22 -0.202 34.958 -20.301 1.00 0.00 C ATOM 277 C ARG A 22 -1.279 34.637 -21.351 1.00 0.00 C ATOM 278 O ARG A 22 -2.261 35.346 -21.445 1.00 0.00 O ATOM 279 CB ARG A 22 0.990 35.630 -20.989 1.00 0.00 C ATOM 280 CG ARG A 22 0.591 37.033 -21.447 1.00 0.00 C ATOM 281 CD ARG A 22 -0.051 36.952 -22.834 1.00 0.00 C ATOM 282 NE ARG A 22 0.710 37.809 -23.786 1.00 0.00 N ATOM 283 CZ ARG A 22 0.181 38.136 -24.934 1.00 0.00 C ATOM 284 NH1 ARG A 22 -0.248 37.207 -25.744 1.00 0.00 N ATOM 285 NH2 ARG A 22 0.084 39.393 -25.273 1.00 0.00 N ATOM 0 H ARG A 22 1.123 33.321 -19.956 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.633 35.629 -19.558 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.835 35.687 -20.303 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.313 35.035 -21.843 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.107 37.475 -20.736 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.467 37.681 -21.477 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.058 35.920 -23.183 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.090 37.279 -22.785 1.00 0.00 H new ATOM 0 HE ARG A 22 1.643 38.140 -23.541 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.170 36.225 -25.480 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.661 37.463 -26.641 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.421 40.119 -24.641 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.329 39.649 -26.170 1.00 0.00 H new ATOM 299 N PRO A 23 -1.070 33.594 -22.124 1.00 0.00 N ATOM 300 CA PRO A 23 -2.024 33.202 -23.177 1.00 0.00 C ATOM 301 C PRO A 23 -3.235 32.488 -22.573 1.00 0.00 C ATOM 302 O PRO A 23 -3.422 32.468 -21.373 1.00 0.00 O ATOM 303 CB PRO A 23 -1.213 32.254 -24.064 1.00 0.00 C ATOM 304 CG PRO A 23 -0.057 31.717 -23.189 1.00 0.00 C ATOM 305 CD PRO A 23 0.113 32.710 -22.026 1.00 0.00 C ATOM 0 HA PRO A 23 -2.424 34.054 -23.727 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.835 31.437 -24.429 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.827 32.777 -24.939 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.285 30.719 -22.816 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.863 31.638 -23.768 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.147 32.196 -21.066 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.041 33.275 -22.118 1.00 0.00 H new ATOM 313 N GLY A 24 -4.060 31.902 -23.398 1.00 0.00 N ATOM 314 CA GLY A 24 -5.260 31.193 -22.872 1.00 0.00 C ATOM 315 C GLY A 24 -4.858 29.797 -22.390 1.00 0.00 C ATOM 316 O GLY A 24 -5.504 28.816 -22.697 1.00 0.00 O ATOM 0 H GLY A 24 -3.955 31.884 -24.412 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.700 31.760 -22.051 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.020 31.116 -23.650 1.00 0.00 H new ATOM 320 N ALA A 25 -3.800 29.702 -21.632 1.00 0.00 N ATOM 321 CA ALA A 25 -3.366 28.371 -21.127 1.00 0.00 C ATOM 322 C ALA A 25 -4.162 28.037 -19.868 1.00 0.00 C ATOM 323 O ALA A 25 -5.052 28.764 -19.475 1.00 0.00 O ATOM 324 CB ALA A 25 -1.873 28.415 -20.793 1.00 0.00 C ATOM 0 H ALA A 25 -3.219 30.488 -21.341 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.541 27.610 -21.887 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.554 27.441 -20.423 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.307 28.666 -21.690 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.693 29.170 -20.028 1.00 0.00 H new ATOM 330 N GLN A 26 -3.852 26.947 -19.229 1.00 0.00 N ATOM 331 CA GLN A 26 -4.595 26.577 -17.994 1.00 0.00 C ATOM 332 C GLN A 26 -3.607 26.420 -16.839 1.00 0.00 C ATOM 333 O GLN A 26 -3.786 26.980 -15.775 1.00 0.00 O ATOM 334 CB GLN A 26 -5.337 25.258 -18.218 1.00 0.00 C ATOM 335 CG GLN A 26 -6.833 25.467 -17.978 1.00 0.00 C ATOM 336 CD GLN A 26 -7.567 24.136 -18.138 1.00 0.00 C ATOM 337 OE1 GLN A 26 -6.950 23.090 -18.187 1.00 0.00 O ATOM 338 NE2 GLN A 26 -8.870 24.128 -18.222 1.00 0.00 N ATOM 0 H GLN A 26 -3.117 26.296 -19.507 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.316 27.358 -17.753 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.167 24.901 -19.234 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.953 24.493 -17.543 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.999 25.868 -16.978 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.226 26.198 -18.684 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.389 25.005 -18.181 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.369 23.245 -18.329 1.00 0.00 H new ATOM 347 N CYS A 27 -2.564 25.664 -17.038 1.00 0.00 N ATOM 348 CA CYS A 27 -1.565 25.476 -15.950 1.00 0.00 C ATOM 349 C CYS A 27 -0.168 25.334 -16.557 1.00 0.00 C ATOM 350 O CYS A 27 0.029 24.630 -17.527 1.00 0.00 O ATOM 351 CB CYS A 27 -1.908 24.216 -15.150 1.00 0.00 C ATOM 352 SG CYS A 27 -2.558 22.944 -16.263 1.00 0.00 S ATOM 0 H CYS A 27 -2.360 25.169 -17.906 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.585 26.341 -15.287 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.020 23.846 -14.638 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.644 24.451 -14.381 1.00 0.00 H new ATOM 357 N GLY A 28 0.802 25.995 -15.991 1.00 0.00 N ATOM 358 CA GLY A 28 2.186 25.896 -16.534 1.00 0.00 C ATOM 359 C GLY A 28 2.833 24.598 -16.043 1.00 0.00 C ATOM 360 O GLY A 28 3.430 23.865 -16.805 1.00 0.00 O ATOM 0 H GLY A 28 0.697 26.599 -15.176 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.163 25.914 -17.624 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.777 26.754 -16.213 1.00 0.00 H new ATOM 364 N GLU A 29 2.715 24.308 -14.775 1.00 0.00 N ATOM 365 CA GLU A 29 3.322 23.057 -14.237 1.00 0.00 C ATOM 366 C GLU A 29 2.291 22.317 -13.384 1.00 0.00 C ATOM 367 O GLU A 29 1.247 22.846 -13.055 1.00 0.00 O ATOM 368 CB GLU A 29 4.538 23.407 -13.377 1.00 0.00 C ATOM 369 CG GLU A 29 5.417 22.165 -13.206 1.00 0.00 C ATOM 370 CD GLU A 29 5.127 21.512 -11.854 1.00 0.00 C ATOM 371 OE1 GLU A 29 4.308 22.044 -11.124 1.00 0.00 O ATOM 372 OE2 GLU A 29 5.730 20.489 -11.570 1.00 0.00 O ATOM 0 H GLU A 29 2.225 24.883 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 29 3.634 22.420 -15.065 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.109 24.208 -13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.214 23.774 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.224 21.457 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.470 22.441 -13.269 1.00 0.00 H new ATOM 379 N GLY A 30 2.573 21.095 -13.023 1.00 0.00 N ATOM 380 CA GLY A 30 1.609 20.322 -12.191 1.00 0.00 C ATOM 381 C GLY A 30 1.806 18.827 -12.443 1.00 0.00 C ATOM 382 O GLY A 30 2.261 18.419 -13.494 1.00 0.00 O ATOM 0 H GLY A 30 3.430 20.599 -13.269 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.761 20.547 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.587 20.612 -12.435 1.00 0.00 H new ATOM 386 N LEU A 31 1.471 18.007 -11.487 1.00 0.00 N ATOM 387 CA LEU A 31 1.643 16.539 -11.672 1.00 0.00 C ATOM 388 C LEU A 31 0.707 16.053 -12.779 1.00 0.00 C ATOM 389 O LEU A 31 0.891 14.990 -13.338 1.00 0.00 O ATOM 390 CB LEU A 31 1.306 15.812 -10.366 1.00 0.00 C ATOM 391 CG LEU A 31 2.583 15.593 -9.554 1.00 0.00 C ATOM 392 CD1 LEU A 31 3.609 14.847 -10.409 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.162 16.944 -9.127 1.00 0.00 C ATOM 0 H LEU A 31 1.086 18.289 -10.586 1.00 0.00 H new ATOM 0 HA LEU A 31 2.676 16.328 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.591 16.397 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.833 14.854 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 31 2.349 15.004 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.520 14.691 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.200 13.882 -10.710 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.840 15.436 -11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.072 16.783 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.394 17.536 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.433 17.476 -8.516 1.00 0.00 H new ATOM 405 N CYS A 32 -0.299 16.821 -13.098 1.00 0.00 N ATOM 406 CA CYS A 32 -1.245 16.398 -14.168 1.00 0.00 C ATOM 407 C CYS A 32 -1.598 17.597 -15.053 1.00 0.00 C ATOM 408 O CYS A 32 -2.737 18.012 -15.124 1.00 0.00 O ATOM 409 CB CYS A 32 -2.523 15.849 -13.532 1.00 0.00 C ATOM 410 SG CYS A 32 -2.304 14.093 -13.139 1.00 0.00 S ATOM 0 H CYS A 32 -0.506 17.721 -12.665 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.774 15.625 -14.775 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.759 16.408 -12.626 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.364 15.977 -14.214 1.00 0.00 H new ATOM 415 N CYS A 33 -0.632 18.152 -15.733 1.00 0.00 N ATOM 416 CA CYS A 33 -0.923 19.316 -16.617 1.00 0.00 C ATOM 417 C CYS A 33 -0.017 19.260 -17.849 1.00 0.00 C ATOM 418 O CYS A 33 1.191 19.335 -17.746 1.00 0.00 O ATOM 419 CB CYS A 33 -0.668 20.620 -15.857 1.00 0.00 C ATOM 420 SG CYS A 33 -0.910 22.022 -16.975 1.00 0.00 S ATOM 0 H CYS A 33 0.342 17.851 -15.715 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.967 19.279 -16.928 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.346 20.697 -15.007 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.346 20.629 -15.458 1.00 0.00 H new ATOM 425 N GLU A 34 -0.591 19.125 -19.013 1.00 0.00 N ATOM 426 CA GLU A 34 0.238 19.062 -20.248 1.00 0.00 C ATOM 427 C GLU A 34 -0.310 20.040 -21.286 1.00 0.00 C ATOM 428 O GLU A 34 -1.480 20.367 -21.287 1.00 0.00 O ATOM 429 CB GLU A 34 0.198 17.645 -20.817 1.00 0.00 C ATOM 430 CG GLU A 34 1.612 17.069 -20.830 1.00 0.00 C ATOM 431 CD GLU A 34 1.549 15.565 -21.097 1.00 0.00 C ATOM 432 OE1 GLU A 34 1.582 15.185 -22.256 1.00 0.00 O ATOM 433 OE2 GLU A 34 1.469 14.816 -20.137 1.00 0.00 O ATOM 0 H GLU A 34 -1.598 19.056 -19.161 1.00 0.00 H new ATOM 0 HA GLU A 34 1.266 19.330 -20.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.458 17.017 -20.214 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.212 17.657 -21.827 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.209 17.561 -21.598 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.102 17.259 -19.875 1.00 0.00 H new ATOM 440 N GLN A 35 0.528 20.511 -22.168 1.00 0.00 N ATOM 441 CA GLN A 35 0.054 21.468 -23.202 1.00 0.00 C ATOM 442 C GLN A 35 -0.498 22.716 -22.511 1.00 0.00 C ATOM 443 O GLN A 35 -1.467 23.304 -22.950 1.00 0.00 O ATOM 444 CB GLN A 35 -1.048 20.815 -24.040 1.00 0.00 C ATOM 445 CG GLN A 35 -0.460 20.323 -25.363 1.00 0.00 C ATOM 446 CD GLN A 35 -1.354 19.226 -25.945 1.00 0.00 C ATOM 447 OE1 GLN A 35 -1.347 18.107 -25.471 1.00 0.00 O ATOM 448 NE2 GLN A 35 -2.129 19.503 -26.957 1.00 0.00 N ATOM 0 H GLN A 35 1.519 20.274 -22.216 1.00 0.00 H new ATOM 0 HA GLN A 35 0.882 21.745 -23.854 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.489 19.981 -23.494 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.848 21.531 -24.229 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.378 21.151 -26.067 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.548 19.939 -25.204 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.134 20.443 -27.354 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.730 18.780 -27.352 1.00 0.00 H new ATOM 457 N CYS A 36 0.109 23.120 -21.429 1.00 0.00 N ATOM 458 CA CYS A 36 -0.383 24.324 -20.704 1.00 0.00 C ATOM 459 C CYS A 36 -1.814 24.080 -20.227 1.00 0.00 C ATOM 460 O CYS A 36 -2.539 25.003 -19.910 1.00 0.00 O ATOM 461 CB CYS A 36 -0.357 25.530 -21.642 1.00 0.00 C ATOM 462 SG CYS A 36 1.331 26.174 -21.751 1.00 0.00 S ATOM 0 H CYS A 36 0.925 22.668 -21.016 1.00 0.00 H new ATOM 0 HA CYS A 36 0.259 24.519 -19.845 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.712 25.242 -22.631 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.030 26.305 -21.274 1.00 0.00 H new ATOM 467 N LYS A 37 -2.229 22.845 -20.176 1.00 0.00 N ATOM 468 CA LYS A 37 -3.616 22.546 -19.721 1.00 0.00 C ATOM 469 C LYS A 37 -3.622 21.233 -18.934 1.00 0.00 C ATOM 470 O LYS A 37 -2.628 20.537 -18.866 1.00 0.00 O ATOM 471 CB LYS A 37 -4.535 22.421 -20.940 1.00 0.00 C ATOM 472 CG LYS A 37 -4.681 23.790 -21.609 1.00 0.00 C ATOM 473 CD LYS A 37 -6.149 24.035 -21.961 1.00 0.00 C ATOM 474 CE LYS A 37 -6.268 25.296 -22.820 1.00 0.00 C ATOM 475 NZ LYS A 37 -5.828 24.996 -24.212 1.00 0.00 N ATOM 0 H LYS A 37 -1.669 22.031 -20.429 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.973 23.352 -19.080 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.124 21.700 -21.647 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.512 22.047 -20.636 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.321 24.573 -20.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.068 23.833 -22.510 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.552 23.177 -22.499 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.738 24.146 -21.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.299 25.651 -22.822 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.657 26.094 -22.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.141 25.758 -24.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.791 24.926 -24.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.245 24.095 -24.521 1.00 0.00 H new ATOM 489 N PHE A 38 -4.731 20.891 -18.335 1.00 0.00 N ATOM 490 CA PHE A 38 -4.791 19.625 -17.550 1.00 0.00 C ATOM 491 C PHE A 38 -4.776 18.428 -18.503 1.00 0.00 C ATOM 492 O PHE A 38 -5.353 18.463 -19.571 1.00 0.00 O ATOM 493 CB PHE A 38 -6.078 19.589 -16.723 1.00 0.00 C ATOM 494 CG PHE A 38 -6.369 20.964 -16.174 1.00 0.00 C ATOM 495 CD1 PHE A 38 -5.340 21.720 -15.600 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.668 21.482 -16.234 1.00 0.00 C ATOM 497 CE1 PHE A 38 -5.610 22.994 -15.086 1.00 0.00 C ATOM 498 CE2 PHE A 38 -7.938 22.756 -15.721 1.00 0.00 C ATOM 499 CZ PHE A 38 -6.908 23.512 -15.147 1.00 0.00 C ATOM 0 H PHE A 38 -5.595 21.432 -18.355 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.928 19.578 -16.886 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.909 19.250 -17.341 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.977 18.875 -15.906 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.338 21.320 -15.554 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.462 20.899 -16.676 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.816 23.577 -14.642 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.940 23.156 -15.768 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.116 24.495 -14.751 1.00 0.00 H new ATOM 509 N SER A 39 -4.129 17.363 -18.116 1.00 0.00 N ATOM 510 CA SER A 39 -4.087 16.160 -18.992 1.00 0.00 C ATOM 511 C SER A 39 -5.494 15.540 -19.045 1.00 0.00 C ATOM 512 O SER A 39 -6.460 16.218 -19.334 1.00 0.00 O ATOM 513 CB SER A 39 -3.075 15.160 -18.422 1.00 0.00 C ATOM 514 OG SER A 39 -1.794 15.772 -18.372 1.00 0.00 O ATOM 0 H SER A 39 -3.628 17.275 -17.232 1.00 0.00 H new ATOM 0 HA SER A 39 -3.779 16.430 -20.002 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.380 14.844 -17.424 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.040 14.265 -19.043 1.00 0.00 H new ATOM 0 HG SER A 39 -1.142 15.138 -18.007 1.00 0.00 H new ATOM 520 N ARG A 40 -5.633 14.269 -18.762 1.00 0.00 N ATOM 521 CA ARG A 40 -6.989 13.646 -18.794 1.00 0.00 C ATOM 522 C ARG A 40 -7.379 13.201 -17.380 1.00 0.00 C ATOM 523 O ARG A 40 -6.541 12.859 -16.578 1.00 0.00 O ATOM 524 CB ARG A 40 -6.975 12.434 -19.725 1.00 0.00 C ATOM 525 CG ARG A 40 -6.042 11.366 -19.155 1.00 0.00 C ATOM 526 CD ARG A 40 -5.867 10.243 -20.178 1.00 0.00 C ATOM 527 NE ARG A 40 -7.200 9.850 -20.718 1.00 0.00 N ATOM 528 CZ ARG A 40 -7.279 9.169 -21.829 1.00 0.00 C ATOM 529 NH1 ARG A 40 -7.217 9.784 -22.978 1.00 0.00 N ATOM 530 NH2 ARG A 40 -7.420 7.872 -21.791 1.00 0.00 N ATOM 0 H ARG A 40 -4.870 13.640 -18.512 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.714 14.374 -19.160 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.983 12.032 -19.832 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.642 12.730 -20.720 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.074 11.805 -18.912 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.453 10.967 -18.228 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.217 10.573 -20.989 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.384 9.384 -19.712 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.050 10.113 -20.219 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.107 10.798 -23.009 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.279 9.251 -23.846 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.469 7.390 -20.893 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.482 7.340 -22.659 1.00 0.00 H new ATOM 544 N ALA A 41 -8.644 13.217 -17.068 1.00 0.00 N ATOM 545 CA ALA A 41 -9.092 12.806 -15.707 1.00 0.00 C ATOM 546 C ALA A 41 -8.817 11.317 -15.493 1.00 0.00 C ATOM 547 O ALA A 41 -8.554 10.581 -16.423 1.00 0.00 O ATOM 548 CB ALA A 41 -10.593 13.067 -15.566 1.00 0.00 C ATOM 0 H ALA A 41 -9.393 13.499 -17.701 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.544 13.383 -14.962 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.923 12.767 -14.571 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.793 14.129 -15.710 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.135 12.491 -16.317 1.00 0.00 H new ATOM 554 N GLY A 42 -8.874 10.870 -14.267 1.00 0.00 N ATOM 555 CA GLY A 42 -8.614 9.433 -13.982 1.00 0.00 C ATOM 556 C GLY A 42 -7.135 9.140 -14.209 1.00 0.00 C ATOM 557 O GLY A 42 -6.713 8.000 -14.234 1.00 0.00 O ATOM 0 H GLY A 42 -9.090 11.441 -13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.891 9.197 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.226 8.804 -14.629 1.00 0.00 H new ATOM 561 N LYS A 43 -6.337 10.160 -14.365 1.00 0.00 N ATOM 562 CA LYS A 43 -4.883 9.927 -14.579 1.00 0.00 C ATOM 563 C LYS A 43 -4.200 9.987 -13.210 1.00 0.00 C ATOM 564 O LYS A 43 -4.317 10.952 -12.483 1.00 0.00 O ATOM 565 CB LYS A 43 -4.341 10.966 -15.591 1.00 0.00 C ATOM 566 CG LYS A 43 -3.499 12.063 -14.933 1.00 0.00 C ATOM 567 CD LYS A 43 -3.715 13.386 -15.687 1.00 0.00 C ATOM 568 CE LYS A 43 -4.853 14.182 -15.036 1.00 0.00 C ATOM 569 NZ LYS A 43 -5.326 15.260 -15.950 1.00 0.00 N ATOM 0 H LYS A 43 -6.627 11.138 -14.354 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.679 8.948 -15.013 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.738 10.454 -16.341 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.179 11.425 -16.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.782 12.177 -13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.444 11.788 -14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.797 13.974 -15.677 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.953 13.184 -16.731 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.680 13.514 -14.794 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.510 14.618 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.862 15.966 -15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.508 15.718 -16.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.939 14.850 -16.683 1.00 0.00 H new ATOM 583 N ILE A 44 -3.550 8.928 -12.814 1.00 0.00 N ATOM 584 CA ILE A 44 -2.934 8.918 -11.461 1.00 0.00 C ATOM 585 C ILE A 44 -1.767 9.887 -11.378 1.00 0.00 C ATOM 586 O ILE A 44 -1.099 10.183 -12.349 1.00 0.00 O ATOM 587 CB ILE A 44 -2.498 7.511 -11.076 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.256 7.119 -11.854 1.00 0.00 C ATOM 589 CG2 ILE A 44 -3.624 6.526 -11.373 1.00 0.00 C ATOM 590 CD1 ILE A 44 -0.217 6.629 -10.859 1.00 0.00 C ATOM 0 H ILE A 44 -3.420 8.078 -13.363 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.690 9.248 -10.749 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.270 7.489 -10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.490 6.338 -12.577 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.874 7.971 -12.417 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.309 5.520 -11.097 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.509 6.800 -10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.860 6.553 -12.437 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.689 6.340 -11.392 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.016 7.427 -10.154 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.610 5.769 -10.317 1.00 0.00 H new ATOM 602 N CYS A 45 -1.558 10.405 -10.206 1.00 0.00 N ATOM 603 CA CYS A 45 -0.478 11.399 -9.986 1.00 0.00 C ATOM 604 C CYS A 45 0.422 10.949 -8.830 1.00 0.00 C ATOM 605 O CYS A 45 1.392 11.602 -8.500 1.00 0.00 O ATOM 606 CB CYS A 45 -1.119 12.745 -9.635 1.00 0.00 C ATOM 607 SG CYS A 45 -2.706 12.491 -8.793 1.00 0.00 S ATOM 0 H CYS A 45 -2.101 10.177 -9.374 1.00 0.00 H new ATOM 0 HA CYS A 45 0.126 11.490 -10.889 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.448 13.318 -8.995 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.271 13.330 -10.542 1.00 0.00 H new ATOM 612 N ARG A 46 0.108 9.846 -8.207 1.00 0.00 N ATOM 613 CA ARG A 46 0.946 9.372 -7.070 1.00 0.00 C ATOM 614 C ARG A 46 0.678 7.899 -6.800 1.00 0.00 C ATOM 615 O ARG A 46 -0.139 7.268 -7.441 1.00 0.00 O ATOM 616 CB ARG A 46 0.611 10.186 -5.819 1.00 0.00 C ATOM 617 CG ARG A 46 1.846 10.971 -5.372 1.00 0.00 C ATOM 618 CD ARG A 46 1.412 12.146 -4.496 1.00 0.00 C ATOM 619 NE ARG A 46 2.530 13.124 -4.390 1.00 0.00 N ATOM 620 CZ ARG A 46 2.519 14.207 -5.116 1.00 0.00 C ATOM 621 NH1 ARG A 46 2.991 14.179 -6.332 1.00 0.00 N ATOM 622 NH2 ARG A 46 2.035 15.316 -4.628 1.00 0.00 N ATOM 0 H ARG A 46 -0.691 9.254 -8.436 1.00 0.00 H new ATOM 0 HA ARG A 46 1.998 9.502 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.212 10.870 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.280 9.523 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.523 10.321 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.394 11.334 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.533 12.627 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.130 11.790 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 46 3.304 12.947 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.368 13.311 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.983 15.025 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.665 15.336 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.027 16.163 -5.197 1.00 0.00 H new ATOM 636 N ILE A 47 1.369 7.355 -5.847 1.00 0.00 N ATOM 637 CA ILE A 47 1.184 5.925 -5.509 1.00 0.00 C ATOM 638 C ILE A 47 1.269 5.782 -3.976 1.00 0.00 C ATOM 639 O ILE A 47 2.322 5.971 -3.399 1.00 0.00 O ATOM 640 CB ILE A 47 2.285 5.118 -6.220 1.00 0.00 C ATOM 641 CG1 ILE A 47 1.693 4.452 -7.463 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.852 4.044 -5.299 1.00 0.00 C ATOM 643 CD1 ILE A 47 0.673 3.396 -7.038 1.00 0.00 C ATOM 0 H ILE A 47 2.062 7.845 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 47 0.216 5.548 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 47 3.090 5.797 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.216 5.199 -8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.485 3.991 -8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.628 3.487 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.279 4.513 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.055 3.363 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.251 2.921 -7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.164 2.643 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.124 3.870 -6.465 1.00 0.00 H new ATOM 755 N ASP A 54 -4.717 3.879 -6.260 1.00 0.00 N ATOM 756 CA ASP A 54 -3.643 4.900 -6.453 1.00 0.00 C ATOM 757 C ASP A 54 -4.268 6.291 -6.545 1.00 0.00 C ATOM 758 O ASP A 54 -5.442 6.436 -6.818 1.00 0.00 O ATOM 759 CB ASP A 54 -2.903 4.609 -7.760 1.00 0.00 C ATOM 760 CG ASP A 54 -2.292 3.208 -7.706 1.00 0.00 C ATOM 761 OD1 ASP A 54 -1.936 2.779 -6.621 1.00 0.00 O ATOM 762 OD2 ASP A 54 -2.193 2.587 -8.753 1.00 0.00 O ATOM 0 HA ASP A 54 -2.952 4.860 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.590 4.684 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.121 5.351 -7.919 1.00 0.00 H new ATOM 767 N ASP A 55 -3.490 7.319 -6.345 1.00 0.00 N ATOM 768 CA ASP A 55 -4.051 8.693 -6.451 1.00 0.00 C ATOM 769 C ASP A 55 -4.494 8.904 -7.895 1.00 0.00 C ATOM 770 O ASP A 55 -3.857 8.430 -8.816 1.00 0.00 O ATOM 771 CB ASP A 55 -2.974 9.716 -6.094 1.00 0.00 C ATOM 772 CG ASP A 55 -2.769 9.737 -4.579 1.00 0.00 C ATOM 773 OD1 ASP A 55 -3.546 9.100 -3.886 1.00 0.00 O ATOM 774 OD2 ASP A 55 -1.841 10.392 -4.136 1.00 0.00 O ATOM 0 H ASP A 55 -2.498 7.267 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.892 8.816 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.039 9.464 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.267 10.705 -6.445 1.00 0.00 H new ATOM 779 N ARG A 56 -5.582 9.583 -8.116 1.00 0.00 N ATOM 780 CA ARG A 56 -6.033 9.768 -9.519 1.00 0.00 C ATOM 781 C ARG A 56 -6.425 11.218 -9.786 1.00 0.00 C ATOM 782 O ARG A 56 -7.232 11.804 -9.093 1.00 0.00 O ATOM 783 CB ARG A 56 -7.222 8.846 -9.792 1.00 0.00 C ATOM 784 CG ARG A 56 -6.723 7.406 -9.942 1.00 0.00 C ATOM 785 CD ARG A 56 -6.779 6.996 -11.414 1.00 0.00 C ATOM 786 NE ARG A 56 -8.039 6.240 -11.672 1.00 0.00 N ATOM 787 CZ ARG A 56 -9.047 6.828 -12.255 1.00 0.00 C ATOM 788 NH1 ARG A 56 -9.862 7.570 -11.556 1.00 0.00 N ATOM 789 NH2 ARG A 56 -9.245 6.669 -13.535 1.00 0.00 N ATOM 0 H ARG A 56 -6.169 10.011 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.208 9.516 -10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.942 8.910 -8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.739 9.160 -10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.702 7.323 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.337 6.733 -9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.736 7.880 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.915 6.380 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.112 5.262 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.711 7.690 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.650 8.030 -12.011 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.611 6.085 -14.080 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.033 7.129 -13.990 1.00 0.00 H new ATOM 803 N CYS A 57 -5.850 11.792 -10.808 1.00 0.00 N ATOM 804 CA CYS A 57 -6.169 13.203 -11.163 1.00 0.00 C ATOM 805 C CYS A 57 -7.594 13.288 -11.704 1.00 0.00 C ATOM 806 O CYS A 57 -8.010 12.481 -12.519 1.00 0.00 O ATOM 807 CB CYS A 57 -5.204 13.688 -12.240 1.00 0.00 C ATOM 808 SG CYS A 57 -3.522 13.753 -11.558 1.00 0.00 S ATOM 0 H CYS A 57 -5.168 11.339 -11.416 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.075 13.824 -10.272 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.234 13.018 -13.099 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.503 14.675 -12.594 1.00 0.00 H new ATOM 813 N THR A 58 -8.337 14.268 -11.262 1.00 0.00 N ATOM 814 CA THR A 58 -9.739 14.433 -11.737 1.00 0.00 C ATOM 815 C THR A 58 -9.743 14.961 -13.174 1.00 0.00 C ATOM 816 O THR A 58 -10.785 15.160 -13.767 1.00 0.00 O ATOM 817 CB THR A 58 -10.465 15.428 -10.828 1.00 0.00 C ATOM 818 OG1 THR A 58 -10.116 16.752 -11.205 1.00 0.00 O ATOM 819 CG2 THR A 58 -10.056 15.184 -9.375 1.00 0.00 C ATOM 0 H THR A 58 -8.028 14.967 -10.586 1.00 0.00 H new ATOM 0 HA THR A 58 -10.246 13.468 -11.709 1.00 0.00 H new ATOM 0 HB THR A 58 -11.542 15.294 -10.927 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.261 16.995 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.573 15.892 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.324 14.167 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.979 15.318 -9.273 1.00 0.00 H new ATOM 827 N GLY A 59 -8.591 15.194 -13.738 1.00 0.00 N ATOM 828 CA GLY A 59 -8.539 15.712 -15.133 1.00 0.00 C ATOM 829 C GLY A 59 -8.524 17.240 -15.101 1.00 0.00 C ATOM 830 O GLY A 59 -8.087 17.888 -16.030 1.00 0.00 O ATOM 0 H GLY A 59 -7.684 15.048 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.649 15.338 -15.640 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.401 15.357 -15.698 1.00 0.00 H new ATOM 834 N GLN A 60 -9.002 17.817 -14.034 1.00 0.00 N ATOM 835 CA GLN A 60 -9.021 19.302 -13.934 1.00 0.00 C ATOM 836 C GLN A 60 -7.960 19.758 -12.930 1.00 0.00 C ATOM 837 O GLN A 60 -7.457 20.862 -13.005 1.00 0.00 O ATOM 838 CB GLN A 60 -10.401 19.766 -13.459 1.00 0.00 C ATOM 839 CG GLN A 60 -11.491 18.921 -14.127 1.00 0.00 C ATOM 840 CD GLN A 60 -12.777 19.002 -13.302 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.247 18.006 -12.789 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.369 20.154 -13.152 1.00 0.00 N ATOM 0 H GLN A 60 -9.381 17.323 -13.226 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.809 19.734 -14.912 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.472 19.676 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.544 20.819 -13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.673 19.279 -15.140 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.164 17.885 -14.209 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.974 20.990 -13.583 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.227 20.219 -12.604 1.00 0.00 H new ATOM 851 N SER A 61 -7.616 18.921 -11.989 1.00 0.00 N ATOM 852 CA SER A 61 -6.588 19.320 -10.986 1.00 0.00 C ATOM 853 C SER A 61 -5.193 19.222 -11.606 1.00 0.00 C ATOM 854 O SER A 61 -4.627 18.153 -11.717 1.00 0.00 O ATOM 855 CB SER A 61 -6.671 18.395 -9.773 1.00 0.00 C ATOM 856 OG SER A 61 -7.320 17.187 -10.145 1.00 0.00 O ATOM 0 H SER A 61 -8.000 17.983 -11.872 1.00 0.00 H new ATOM 0 HA SER A 61 -6.772 20.348 -10.674 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.671 18.182 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.220 18.882 -8.967 1.00 0.00 H new ATOM 0 HG SER A 61 -7.100 16.485 -9.498 1.00 0.00 H new ATOM 862 N ALA A 62 -4.630 20.331 -12.006 1.00 0.00 N ATOM 863 CA ALA A 62 -3.269 20.298 -12.611 1.00 0.00 C ATOM 864 C ALA A 62 -2.313 19.576 -11.659 1.00 0.00 C ATOM 865 O ALA A 62 -1.602 18.670 -12.045 1.00 0.00 O ATOM 866 CB ALA A 62 -2.777 21.728 -12.846 1.00 0.00 C ATOM 0 H ALA A 62 -5.054 21.256 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.305 19.770 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.781 21.702 -13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.461 22.242 -13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.738 22.260 -11.896 1.00 0.00 H new ATOM 872 N ASP A 63 -2.298 19.965 -10.413 1.00 0.00 N ATOM 873 CA ASP A 63 -1.398 19.296 -9.432 1.00 0.00 C ATOM 874 C ASP A 63 -2.144 18.130 -8.783 1.00 0.00 C ATOM 875 O ASP A 63 -3.290 17.871 -9.088 1.00 0.00 O ATOM 876 CB ASP A 63 -0.980 20.298 -8.355 1.00 0.00 C ATOM 877 CG ASP A 63 -0.833 21.687 -8.978 1.00 0.00 C ATOM 878 OD1 ASP A 63 -0.601 21.757 -10.173 1.00 0.00 O ATOM 879 OD2 ASP A 63 -0.954 22.657 -8.247 1.00 0.00 O ATOM 0 H ASP A 63 -2.871 20.718 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.509 18.925 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.723 20.322 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.038 19.989 -7.903 1.00 0.00 H new ATOM 884 N CYS A 64 -1.507 17.423 -7.892 1.00 0.00 N ATOM 885 CA CYS A 64 -2.192 16.277 -7.233 1.00 0.00 C ATOM 886 C CYS A 64 -2.161 16.456 -5.718 1.00 0.00 C ATOM 887 O CYS A 64 -1.126 16.734 -5.143 1.00 0.00 O ATOM 888 CB CYS A 64 -1.498 14.970 -7.620 1.00 0.00 C ATOM 889 SG CYS A 64 -2.524 13.575 -7.105 1.00 0.00 S ATOM 0 H CYS A 64 -0.546 17.588 -7.593 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.230 16.241 -7.563 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.333 14.937 -8.697 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.518 14.911 -7.146 1.00 0.00 H new ATOM 894 N PRO A 65 -3.312 16.298 -5.118 1.00 0.00 N ATOM 895 CA PRO A 65 -3.475 16.442 -3.668 1.00 0.00 C ATOM 896 C PRO A 65 -2.985 15.184 -2.944 1.00 0.00 C ATOM 897 O PRO A 65 -2.228 14.401 -3.482 1.00 0.00 O ATOM 898 CB PRO A 65 -4.984 16.611 -3.500 1.00 0.00 C ATOM 899 CG PRO A 65 -5.648 16.006 -4.754 1.00 0.00 C ATOM 900 CD PRO A 65 -4.564 15.958 -5.835 1.00 0.00 C ATOM 0 HA PRO A 65 -2.904 17.272 -3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.331 16.106 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.245 17.664 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.034 15.008 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.493 16.614 -5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.504 14.971 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.769 16.669 -6.635 1.00 0.00 H new