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 -88:sc= 1.23 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 1.11 USER MOD Set 2.1: A 39 SER OG : rot 75:sc= 0.403 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -107:sc= 0.362 (180deg=-0.313) USER MOD Single : A 7 SER OG : rot 42:sc= 0.446 USER MOD Single : A 8 SER OG : rot 153:sc= -0.232 USER MOD Single : A 11 ASN : amide:sc= -4.68! C(o=-4.7!,f=-15!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -6.89! C(o=-6.9!,f=-11!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0014) USER MOD Single : A 60 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -4.136 34.323 -11.053 1.00 0.00 N ATOM 33 CA GLU A 3 -3.404 34.981 -12.171 1.00 0.00 C ATOM 34 C GLU A 3 -2.230 34.107 -12.602 1.00 0.00 C ATOM 35 O GLU A 3 -1.742 34.211 -13.710 1.00 0.00 O ATOM 36 CB GLU A 3 -2.886 36.346 -11.712 1.00 0.00 C ATOM 37 CG GLU A 3 -4.070 37.262 -11.396 1.00 0.00 C ATOM 38 CD GLU A 3 -3.668 38.267 -10.315 1.00 0.00 C ATOM 39 OE1 GLU A 3 -3.722 37.908 -9.151 1.00 0.00 O ATOM 40 OE2 GLU A 3 -3.313 39.379 -10.671 1.00 0.00 O ATOM 0 HA GLU A 3 -4.081 35.116 -13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.257 36.230 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.265 36.791 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.386 37.788 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.921 36.670 -11.058 1.00 0.00 H new ATOM 47 N CYS A 4 -1.775 33.240 -11.746 1.00 0.00 N ATOM 48 CA CYS A 4 -0.637 32.362 -12.129 1.00 0.00 C ATOM 49 C CYS A 4 -1.162 30.959 -12.437 1.00 0.00 C ATOM 50 O CYS A 4 -1.828 30.345 -11.628 1.00 0.00 O ATOM 51 CB CYS A 4 0.381 32.279 -10.987 1.00 0.00 C ATOM 52 SG CYS A 4 1.761 31.224 -11.503 1.00 0.00 S ATOM 0 H CYS A 4 -2.138 33.101 -10.803 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.149 32.781 -13.009 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.743 33.275 -10.732 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.090 31.872 -10.092 1.00 0.00 H new ATOM 57 N ASP A 5 -0.868 30.440 -13.600 1.00 0.00 N ATOM 58 CA ASP A 5 -1.352 29.080 -13.945 1.00 0.00 C ATOM 59 C ASP A 5 -0.155 28.130 -14.016 1.00 0.00 C ATOM 60 O ASP A 5 -0.250 27.027 -14.520 1.00 0.00 O ATOM 61 CB ASP A 5 -2.064 29.135 -15.298 1.00 0.00 C ATOM 62 CG ASP A 5 -2.639 27.757 -15.632 1.00 0.00 C ATOM 63 OD1 ASP A 5 -2.654 26.913 -14.751 1.00 0.00 O ATOM 64 OD2 ASP A 5 -3.054 27.568 -16.764 1.00 0.00 O ATOM 0 H ASP A 5 -0.314 30.901 -14.322 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.049 28.721 -13.188 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.863 29.876 -15.270 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.366 29.447 -16.075 1.00 0.00 H new ATOM 69 N CYS A 6 0.973 28.554 -13.510 1.00 0.00 N ATOM 70 CA CYS A 6 2.186 27.687 -13.537 1.00 0.00 C ATOM 71 C CYS A 6 3.074 28.030 -12.330 1.00 0.00 C ATOM 72 O CYS A 6 2.619 28.613 -11.366 1.00 0.00 O ATOM 73 CB CYS A 6 2.938 27.916 -14.865 1.00 0.00 C ATOM 74 SG CYS A 6 4.145 29.264 -14.708 1.00 0.00 S ATOM 0 H CYS A 6 1.106 29.468 -13.077 1.00 0.00 H new ATOM 0 HA CYS A 6 1.908 26.635 -13.474 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.448 26.999 -15.160 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.225 28.152 -15.655 1.00 0.00 H new ATOM 79 N SER A 7 4.334 27.684 -12.376 1.00 0.00 N ATOM 80 CA SER A 7 5.232 28.005 -11.232 1.00 0.00 C ATOM 81 C SER A 7 6.694 27.951 -11.690 1.00 0.00 C ATOM 82 O SER A 7 7.564 27.521 -10.959 1.00 0.00 O ATOM 83 CB SER A 7 5.012 26.988 -10.113 1.00 0.00 C ATOM 84 OG SER A 7 4.136 27.542 -9.140 1.00 0.00 O ATOM 0 H SER A 7 4.777 27.195 -13.154 1.00 0.00 H new ATOM 0 HA SER A 7 5.006 29.007 -10.866 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.589 26.069 -10.519 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.964 26.724 -9.653 1.00 0.00 H new ATOM 0 HG SER A 7 3.409 28.021 -9.590 1.00 0.00 H new ATOM 90 N SER A 8 6.974 28.383 -12.891 1.00 0.00 N ATOM 91 CA SER A 8 8.383 28.350 -13.381 1.00 0.00 C ATOM 92 C SER A 8 8.736 29.698 -14.022 1.00 0.00 C ATOM 93 O SER A 8 7.918 30.292 -14.697 1.00 0.00 O ATOM 94 CB SER A 8 8.536 27.236 -14.416 1.00 0.00 C ATOM 95 OG SER A 8 8.693 25.993 -13.745 1.00 0.00 O ATOM 0 H SER A 8 6.292 28.756 -13.551 1.00 0.00 H new ATOM 0 HA SER A 8 9.054 28.162 -12.543 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.661 27.204 -15.066 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.399 27.431 -15.053 1.00 0.00 H new ATOM 0 HG SER A 8 8.367 25.268 -14.319 1.00 0.00 H new ATOM 101 N PRO A 9 9.950 30.141 -13.791 1.00 0.00 N ATOM 102 CA PRO A 9 10.447 31.418 -14.334 1.00 0.00 C ATOM 103 C PRO A 9 10.851 31.254 -15.800 1.00 0.00 C ATOM 104 O PRO A 9 10.985 32.216 -16.530 1.00 0.00 O ATOM 105 CB PRO A 9 11.671 31.723 -13.466 1.00 0.00 C ATOM 106 CG PRO A 9 12.139 30.368 -12.882 1.00 0.00 C ATOM 107 CD PRO A 9 10.937 29.410 -12.970 1.00 0.00 C ATOM 0 HA PRO A 9 9.702 32.213 -14.310 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.461 32.185 -14.057 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.418 32.423 -12.670 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.988 29.977 -13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.467 30.484 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.216 28.463 -13.432 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.539 29.178 -11.982 1.00 0.00 H new ATOM 115 N GLU A 10 11.053 30.042 -16.235 1.00 0.00 N ATOM 116 CA GLU A 10 11.455 29.815 -17.651 1.00 0.00 C ATOM 117 C GLU A 10 10.485 28.829 -18.306 1.00 0.00 C ATOM 118 O GLU A 10 10.857 27.736 -18.686 1.00 0.00 O ATOM 119 CB GLU A 10 12.872 29.241 -17.687 1.00 0.00 C ATOM 120 CG GLU A 10 12.878 27.848 -17.053 1.00 0.00 C ATOM 121 CD GLU A 10 13.665 27.887 -15.742 1.00 0.00 C ATOM 122 OE1 GLU A 10 14.667 28.582 -15.697 1.00 0.00 O ATOM 123 OE2 GLU A 10 13.254 27.221 -14.806 1.00 0.00 O ATOM 0 H GLU A 10 10.957 29.198 -15.671 1.00 0.00 H new ATOM 0 HA GLU A 10 11.430 30.759 -18.195 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.226 29.185 -18.716 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.555 29.899 -17.150 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.856 27.517 -16.866 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.326 27.127 -17.737 1.00 0.00 H new ATOM 130 N ASN A 11 9.242 29.204 -18.440 1.00 0.00 N ATOM 131 CA ASN A 11 8.252 28.287 -19.067 1.00 0.00 C ATOM 132 C ASN A 11 7.625 28.966 -20.293 1.00 0.00 C ATOM 133 O ASN A 11 7.229 30.113 -20.224 1.00 0.00 O ATOM 134 CB ASN A 11 7.155 27.959 -18.051 1.00 0.00 C ATOM 135 CG ASN A 11 6.303 26.800 -18.570 1.00 0.00 C ATOM 136 OD1 ASN A 11 5.783 26.857 -19.666 1.00 0.00 O ATOM 137 ND2 ASN A 11 6.139 25.744 -17.822 1.00 0.00 N ATOM 0 H ASN A 11 8.871 30.106 -18.142 1.00 0.00 H new ATOM 0 HA ASN A 11 8.752 27.370 -19.378 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.601 27.695 -17.092 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.530 28.835 -17.881 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.573 24.964 -18.157 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.577 25.698 -16.902 1.00 0.00 H new ATOM 144 N PRO A 12 7.548 28.236 -21.380 1.00 0.00 N ATOM 145 CA PRO A 12 6.964 28.745 -22.635 1.00 0.00 C ATOM 146 C PRO A 12 5.436 28.735 -22.545 1.00 0.00 C ATOM 147 O PRO A 12 4.755 29.454 -23.248 1.00 0.00 O ATOM 148 CB PRO A 12 7.460 27.751 -23.689 1.00 0.00 C ATOM 149 CG PRO A 12 7.808 26.449 -22.931 1.00 0.00 C ATOM 150 CD PRO A 12 8.030 26.843 -21.461 1.00 0.00 C ATOM 0 HA PRO A 12 7.250 29.772 -22.862 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.694 27.569 -24.442 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.333 28.142 -24.211 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.001 25.722 -23.020 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.702 25.985 -23.347 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.476 26.190 -20.786 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.082 26.769 -21.184 1.00 0.00 H new ATOM 158 N CYS A 13 4.899 27.927 -21.675 1.00 0.00 N ATOM 159 CA CYS A 13 3.419 27.861 -21.519 1.00 0.00 C ATOM 160 C CYS A 13 2.940 29.067 -20.721 1.00 0.00 C ATOM 161 O CYS A 13 1.994 29.732 -21.095 1.00 0.00 O ATOM 162 CB CYS A 13 3.041 26.581 -20.768 1.00 0.00 C ATOM 163 SG CYS A 13 4.136 25.229 -21.274 1.00 0.00 S ATOM 0 H CYS A 13 5.425 27.305 -21.061 1.00 0.00 H new ATOM 0 HA CYS A 13 2.951 27.861 -22.503 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.120 26.742 -19.693 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.004 26.319 -20.976 1.00 0.00 H new ATOM 168 N CYS A 14 3.569 29.348 -19.615 1.00 0.00 N ATOM 169 CA CYS A 14 3.115 30.500 -18.796 1.00 0.00 C ATOM 170 C CYS A 14 4.110 31.655 -18.862 1.00 0.00 C ATOM 171 O CYS A 14 5.310 31.466 -18.881 1.00 0.00 O ATOM 172 CB CYS A 14 2.946 30.055 -17.347 1.00 0.00 C ATOM 173 SG CYS A 14 4.570 29.759 -16.614 1.00 0.00 S ATOM 0 H CYS A 14 4.370 28.834 -19.247 1.00 0.00 H new ATOM 0 HA CYS A 14 2.163 30.849 -19.195 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.413 30.819 -16.781 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.344 29.147 -17.302 1.00 0.00 H new ATOM 178 N ASP A 15 3.603 32.857 -18.877 1.00 0.00 N ATOM 179 CA ASP A 15 4.488 34.048 -18.921 1.00 0.00 C ATOM 180 C ASP A 15 4.820 34.462 -17.489 1.00 0.00 C ATOM 181 O ASP A 15 3.936 34.687 -16.681 1.00 0.00 O ATOM 182 CB ASP A 15 3.765 35.195 -19.628 1.00 0.00 C ATOM 183 CG ASP A 15 3.767 34.948 -21.137 1.00 0.00 C ATOM 184 OD1 ASP A 15 3.101 34.021 -21.567 1.00 0.00 O ATOM 185 OD2 ASP A 15 4.435 35.692 -21.838 1.00 0.00 O ATOM 0 H ASP A 15 2.604 33.064 -18.860 1.00 0.00 H new ATOM 0 HA ASP A 15 5.403 33.813 -19.464 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.741 35.273 -19.263 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.256 36.142 -19.403 1.00 0.00 H new ATOM 190 N ALA A 16 6.083 34.554 -17.168 1.00 0.00 N ATOM 191 CA ALA A 16 6.479 34.944 -15.786 1.00 0.00 C ATOM 192 C ALA A 16 6.015 36.374 -15.503 1.00 0.00 C ATOM 193 O ALA A 16 5.719 36.727 -14.379 1.00 0.00 O ATOM 194 CB ALA A 16 8.000 34.867 -15.650 1.00 0.00 C ATOM 0 H ALA A 16 6.859 34.375 -17.806 1.00 0.00 H new ATOM 0 HA ALA A 16 6.014 34.264 -15.072 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.290 35.152 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.332 33.848 -15.849 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.464 35.546 -16.366 1.00 0.00 H new ATOM 200 N ALA A 17 5.942 37.199 -16.512 1.00 0.00 N ATOM 201 CA ALA A 17 5.491 38.600 -16.285 1.00 0.00 C ATOM 202 C ALA A 17 4.196 38.570 -15.476 1.00 0.00 C ATOM 203 O ALA A 17 3.932 39.439 -14.670 1.00 0.00 O ATOM 204 CB ALA A 17 5.237 39.283 -17.630 1.00 0.00 C ATOM 0 H ALA A 17 6.174 36.965 -17.477 1.00 0.00 H new ATOM 0 HA ALA A 17 6.258 39.154 -15.744 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.907 40.308 -17.461 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.157 39.290 -18.214 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.465 38.739 -18.175 1.00 0.00 H new ATOM 210 N THR A 18 3.391 37.565 -15.684 1.00 0.00 N ATOM 211 CA THR A 18 2.112 37.460 -14.931 1.00 0.00 C ATOM 212 C THR A 18 2.003 36.067 -14.304 1.00 0.00 C ATOM 213 O THR A 18 1.065 35.771 -13.591 1.00 0.00 O ATOM 214 CB THR A 18 0.941 37.681 -15.890 1.00 0.00 C ATOM 215 OG1 THR A 18 0.864 36.589 -16.796 1.00 0.00 O ATOM 216 CG2 THR A 18 1.153 38.980 -16.667 1.00 0.00 C ATOM 0 H THR A 18 3.566 36.809 -16.346 1.00 0.00 H new ATOM 0 HA THR A 18 2.087 38.215 -14.145 1.00 0.00 H new ATOM 0 HB THR A 18 0.013 37.750 -15.323 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.113 36.726 -17.411 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.318 39.136 -17.350 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.212 39.816 -15.970 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.080 38.916 -17.237 1.00 0.00 H new ATOM 224 N CYS A 19 2.951 35.205 -14.568 1.00 0.00 N ATOM 225 CA CYS A 19 2.889 33.835 -13.989 1.00 0.00 C ATOM 226 C CYS A 19 1.687 33.094 -14.580 1.00 0.00 C ATOM 227 O CYS A 19 1.323 32.025 -14.133 1.00 0.00 O ATOM 228 CB CYS A 19 2.720 33.951 -12.472 1.00 0.00 C ATOM 229 SG CYS A 19 3.354 32.462 -11.659 1.00 0.00 S ATOM 0 H CYS A 19 3.762 35.392 -15.158 1.00 0.00 H new ATOM 0 HA CYS A 19 3.803 33.287 -14.220 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.251 34.829 -12.105 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.667 34.089 -12.225 1.00 0.00 H new ATOM 234 N LYS A 20 1.066 33.660 -15.582 1.00 0.00 N ATOM 235 CA LYS A 20 -0.129 33.000 -16.193 1.00 0.00 C ATOM 236 C LYS A 20 0.227 32.436 -17.566 1.00 0.00 C ATOM 237 O LYS A 20 1.341 32.567 -18.032 1.00 0.00 O ATOM 238 CB LYS A 20 -1.252 34.031 -16.337 1.00 0.00 C ATOM 239 CG LYS A 20 -2.607 33.364 -16.086 1.00 0.00 C ATOM 240 CD LYS A 20 -3.437 33.401 -17.372 1.00 0.00 C ATOM 241 CE LYS A 20 -4.686 32.535 -17.201 1.00 0.00 C ATOM 242 NZ LYS A 20 -5.820 33.150 -17.945 1.00 0.00 N ATOM 0 H LYS A 20 1.333 34.549 -16.004 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.457 32.182 -15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.102 34.847 -15.630 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.231 34.467 -17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.463 32.333 -15.762 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.135 33.879 -15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.722 34.427 -17.603 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.843 33.039 -18.211 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.497 31.528 -17.572 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.937 32.444 -16.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.670 32.562 -17.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.004 34.103 -17.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.578 33.215 -18.954 1.00 0.00 H new ATOM 256 N LEU A 21 -0.708 31.797 -18.220 1.00 0.00 N ATOM 257 CA LEU A 21 -0.405 31.220 -19.558 1.00 0.00 C ATOM 258 C LEU A 21 -1.051 31.999 -20.658 1.00 0.00 C ATOM 259 O LEU A 21 -1.935 32.809 -20.465 1.00 0.00 O ATOM 260 CB LEU A 21 -0.980 29.818 -19.710 1.00 0.00 C ATOM 261 CG LEU A 21 0.029 28.762 -19.268 1.00 0.00 C ATOM 262 CD1 LEU A 21 -0.233 28.388 -17.815 1.00 0.00 C ATOM 263 CD2 LEU A 21 -0.128 27.515 -20.130 1.00 0.00 C ATOM 0 H LEU A 21 -1.661 31.652 -17.886 1.00 0.00 H new ATOM 0 HA LEU A 21 0.683 31.233 -19.626 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.890 29.728 -19.116 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.259 29.646 -20.750 1.00 0.00 H new ATOM 0 HG LEU A 21 1.037 29.162 -19.374 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.487 27.634 -17.498 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.131 29.273 -17.187 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.243 27.989 -17.718 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.593 26.761 -19.814 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.138 27.121 -20.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.049 27.770 -21.175 1.00 0.00 H new ATOM 275 N ARG A 22 -0.662 31.653 -21.835 1.00 0.00 N ATOM 276 CA ARG A 22 -1.287 32.240 -23.012 1.00 0.00 C ATOM 277 C ARG A 22 -2.392 31.250 -23.395 1.00 0.00 C ATOM 278 O ARG A 22 -2.111 30.089 -23.596 1.00 0.00 O ATOM 279 CB ARG A 22 -0.268 32.368 -24.148 1.00 0.00 C ATOM 280 CG ARG A 22 -0.383 33.759 -24.780 1.00 0.00 C ATOM 281 CD ARG A 22 1.015 34.316 -25.058 1.00 0.00 C ATOM 282 NE ARG A 22 0.895 35.576 -25.845 1.00 0.00 N ATOM 283 CZ ARG A 22 1.923 36.375 -25.963 1.00 0.00 C ATOM 284 NH1 ARG A 22 3.116 35.953 -25.649 1.00 0.00 N ATOM 285 NH2 ARG A 22 1.755 37.597 -26.391 1.00 0.00 N ATOM 0 H ARG A 22 0.076 30.976 -22.028 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.674 33.241 -22.822 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.741 32.212 -23.766 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.446 31.599 -24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.953 33.702 -25.707 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.926 34.429 -24.113 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.536 34.508 -24.120 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.608 33.585 -25.608 1.00 0.00 H new ATOM 0 HE ARG A 22 0.010 35.815 -26.292 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.247 35.000 -25.311 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.918 36.576 -25.741 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.821 37.929 -26.633 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.557 38.220 -26.483 1.00 0.00 H new ATOM 299 N PRO A 23 -3.605 31.726 -23.465 1.00 0.00 N ATOM 300 CA PRO A 23 -4.780 30.902 -23.810 1.00 0.00 C ATOM 301 C PRO A 23 -4.589 30.193 -25.152 1.00 0.00 C ATOM 302 O PRO A 23 -5.300 30.412 -26.112 1.00 0.00 O ATOM 303 CB PRO A 23 -5.937 31.913 -23.811 1.00 0.00 C ATOM 304 CG PRO A 23 -5.273 33.300 -23.943 1.00 0.00 C ATOM 305 CD PRO A 23 -3.912 33.134 -23.245 1.00 0.00 C ATOM 0 HA PRO A 23 -4.962 30.085 -23.111 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.621 31.725 -24.638 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.520 31.843 -22.893 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.153 33.586 -24.988 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.873 34.076 -23.467 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.153 33.786 -23.678 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.970 33.374 -22.183 1.00 0.00 H new ATOM 313 N GLY A 24 -3.625 29.319 -25.179 1.00 0.00 N ATOM 314 CA GLY A 24 -3.319 28.521 -26.393 1.00 0.00 C ATOM 315 C GLY A 24 -3.154 27.061 -25.959 1.00 0.00 C ATOM 316 O GLY A 24 -3.648 26.154 -26.597 1.00 0.00 O ATOM 0 H GLY A 24 -3.018 29.120 -24.384 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.121 28.614 -27.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.409 28.884 -26.870 1.00 0.00 H new ATOM 320 N ALA A 25 -2.475 26.829 -24.857 1.00 0.00 N ATOM 321 CA ALA A 25 -2.302 25.437 -24.368 1.00 0.00 C ATOM 322 C ALA A 25 -3.327 25.191 -23.253 1.00 0.00 C ATOM 323 O ALA A 25 -4.507 25.419 -23.433 1.00 0.00 O ATOM 324 CB ALA A 25 -0.878 25.270 -23.834 1.00 0.00 C ATOM 0 H ALA A 25 -2.037 27.548 -24.282 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.460 24.718 -25.172 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.742 24.251 -23.473 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.164 25.470 -24.633 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.712 25.970 -23.015 1.00 0.00 H new ATOM 330 N GLN A 26 -2.902 24.742 -22.101 1.00 0.00 N ATOM 331 CA GLN A 26 -3.877 24.511 -20.999 1.00 0.00 C ATOM 332 C GLN A 26 -3.212 24.816 -19.655 1.00 0.00 C ATOM 333 O GLN A 26 -3.764 25.506 -18.820 1.00 0.00 O ATOM 334 CB GLN A 26 -4.342 23.052 -21.024 1.00 0.00 C ATOM 335 CG GLN A 26 -5.833 22.999 -21.366 1.00 0.00 C ATOM 336 CD GLN A 26 -6.200 21.590 -21.839 1.00 0.00 C ATOM 337 OE1 GLN A 26 -5.355 20.720 -21.907 1.00 0.00 O ATOM 338 NE2 GLN A 26 -7.435 21.329 -22.174 1.00 0.00 N ATOM 0 H GLN A 26 -1.930 24.527 -21.878 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.738 25.166 -21.133 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.769 22.489 -21.760 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.163 22.585 -20.055 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.427 23.267 -20.492 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.064 23.727 -22.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.144 22.060 -22.117 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.690 20.394 -22.493 1.00 0.00 H new ATOM 347 N CYS A 27 -2.029 24.307 -19.439 1.00 0.00 N ATOM 348 CA CYS A 27 -1.325 24.565 -18.150 1.00 0.00 C ATOM 349 C CYS A 27 0.184 24.604 -18.389 1.00 0.00 C ATOM 350 O CYS A 27 0.680 24.108 -19.383 1.00 0.00 O ATOM 351 CB CYS A 27 -1.659 23.449 -17.161 1.00 0.00 C ATOM 352 SG CYS A 27 -1.642 21.861 -18.024 1.00 0.00 S ATOM 0 H CYS A 27 -1.519 23.722 -20.101 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.649 25.523 -17.742 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.935 23.441 -16.346 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.638 23.623 -16.715 1.00 0.00 H new ATOM 357 N GLY A 28 0.923 25.180 -17.482 1.00 0.00 N ATOM 358 CA GLY A 28 2.399 25.240 -17.651 1.00 0.00 C ATOM 359 C GLY A 28 3.043 24.153 -16.801 1.00 0.00 C ATOM 360 O GLY A 28 3.979 23.497 -17.216 1.00 0.00 O ATOM 0 H GLY A 28 0.566 25.612 -16.630 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.663 25.103 -18.700 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.772 26.220 -17.354 1.00 0.00 H new ATOM 364 N GLU A 29 2.551 23.953 -15.613 1.00 0.00 N ATOM 365 CA GLU A 29 3.137 22.906 -14.738 1.00 0.00 C ATOM 366 C GLU A 29 2.016 22.173 -13.998 1.00 0.00 C ATOM 367 O GLU A 29 0.848 22.445 -14.193 1.00 0.00 O ATOM 368 CB GLU A 29 4.078 23.554 -13.723 1.00 0.00 C ATOM 369 CG GLU A 29 4.730 24.799 -14.327 1.00 0.00 C ATOM 370 CD GLU A 29 6.136 24.968 -13.749 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.261 25.628 -12.731 1.00 0.00 O ATOM 372 OE2 GLU A 29 7.064 24.436 -14.336 1.00 0.00 O ATOM 0 H GLU A 29 1.769 24.469 -15.211 1.00 0.00 H new ATOM 0 HA GLU A 29 3.696 22.196 -15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.524 23.824 -12.824 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.846 22.842 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.780 24.707 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.127 25.681 -14.109 1.00 0.00 H new ATOM 379 N GLY A 30 2.365 21.245 -13.149 1.00 0.00 N ATOM 380 CA GLY A 30 1.322 20.494 -12.396 1.00 0.00 C ATOM 381 C GLY A 30 1.688 19.009 -12.369 1.00 0.00 C ATOM 382 O GLY A 30 2.533 18.556 -13.116 1.00 0.00 O ATOM 0 H GLY A 30 3.327 20.975 -12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.243 20.879 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.348 20.632 -12.866 1.00 0.00 H new ATOM 386 N LEU A 31 1.060 18.249 -11.516 1.00 0.00 N ATOM 387 CA LEU A 31 1.375 16.794 -11.443 1.00 0.00 C ATOM 388 C LEU A 31 0.846 16.093 -12.695 1.00 0.00 C ATOM 389 O LEU A 31 1.061 14.912 -12.891 1.00 0.00 O ATOM 390 CB LEU A 31 0.708 16.187 -10.207 1.00 0.00 C ATOM 391 CG LEU A 31 1.765 15.892 -9.142 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.594 14.678 -9.568 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.684 17.104 -8.983 1.00 0.00 C ATOM 0 H LEU A 31 0.343 18.572 -10.866 1.00 0.00 H new ATOM 0 HA LEU A 31 2.455 16.662 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.039 16.875 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.185 15.270 -10.478 1.00 0.00 H new ATOM 0 HG LEU A 31 1.273 15.682 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.348 14.468 -8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.941 13.813 -9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.085 14.888 -10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.437 16.893 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.176 17.315 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.095 17.970 -8.679 1.00 0.00 H new ATOM 405 N CYS A 32 0.150 16.803 -13.541 1.00 0.00 N ATOM 406 CA CYS A 32 -0.395 16.159 -14.771 1.00 0.00 C ATOM 407 C CYS A 32 -0.431 17.174 -15.916 1.00 0.00 C ATOM 408 O CYS A 32 -1.445 17.361 -16.556 1.00 0.00 O ATOM 409 CB CYS A 32 -1.816 15.650 -14.503 1.00 0.00 C ATOM 410 SG CYS A 32 -1.965 15.111 -12.780 1.00 0.00 S ATOM 0 H CYS A 32 -0.064 17.795 -13.435 1.00 0.00 H new ATOM 0 HA CYS A 32 0.247 15.322 -15.047 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.539 16.439 -14.710 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.047 14.822 -15.173 1.00 0.00 H new ATOM 415 N CYS A 33 0.668 17.825 -16.190 1.00 0.00 N ATOM 416 CA CYS A 33 0.679 18.813 -17.305 1.00 0.00 C ATOM 417 C CYS A 33 1.986 18.684 -18.090 1.00 0.00 C ATOM 418 O CYS A 33 3.065 18.787 -17.543 1.00 0.00 O ATOM 419 CB CYS A 33 0.555 20.234 -16.751 1.00 0.00 C ATOM 420 SG CYS A 33 0.316 21.387 -18.124 1.00 0.00 S ATOM 0 H CYS A 33 1.552 17.716 -15.693 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.166 18.613 -17.964 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.284 20.295 -16.058 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.451 20.498 -16.190 1.00 0.00 H new ATOM 425 N GLU A 34 1.892 18.454 -19.371 1.00 0.00 N ATOM 426 CA GLU A 34 3.124 18.315 -20.197 1.00 0.00 C ATOM 427 C GLU A 34 2.898 18.976 -21.558 1.00 0.00 C ATOM 428 O GLU A 34 1.841 18.863 -22.146 1.00 0.00 O ATOM 429 CB GLU A 34 3.434 16.829 -20.394 1.00 0.00 C ATOM 430 CG GLU A 34 4.674 16.677 -21.275 1.00 0.00 C ATOM 431 CD GLU A 34 5.931 16.810 -20.413 1.00 0.00 C ATOM 432 OE1 GLU A 34 6.347 17.932 -20.177 1.00 0.00 O ATOM 433 OE2 GLU A 34 6.455 15.787 -20.003 1.00 0.00 O ATOM 0 H GLU A 34 1.014 18.356 -19.881 1.00 0.00 H new ATOM 0 HA GLU A 34 3.962 18.798 -19.694 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.600 16.351 -19.429 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.583 16.328 -20.856 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.663 15.708 -21.773 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.674 17.437 -22.056 1.00 0.00 H new ATOM 440 N GLN A 35 3.883 19.666 -22.064 1.00 0.00 N ATOM 441 CA GLN A 35 3.721 20.335 -23.388 1.00 0.00 C ATOM 442 C GLN A 35 2.725 21.489 -23.256 1.00 0.00 C ATOM 443 O GLN A 35 1.981 21.783 -24.170 1.00 0.00 O ATOM 444 CB GLN A 35 3.195 19.325 -24.409 1.00 0.00 C ATOM 445 CG GLN A 35 4.253 19.089 -25.490 1.00 0.00 C ATOM 446 CD GLN A 35 4.268 17.608 -25.872 1.00 0.00 C ATOM 447 OE1 GLN A 35 3.291 17.088 -26.371 1.00 0.00 O ATOM 448 NE2 GLN A 35 5.345 16.902 -25.657 1.00 0.00 N ATOM 0 H GLN A 35 4.792 19.796 -21.620 1.00 0.00 H new ATOM 0 HA GLN A 35 4.685 20.720 -23.721 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.951 18.385 -23.913 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.275 19.695 -24.861 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.036 19.700 -26.366 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.235 19.392 -25.126 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.166 17.339 -25.238 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.366 15.914 -25.908 1.00 0.00 H new ATOM 457 N CYS A 36 2.706 22.141 -22.123 1.00 0.00 N ATOM 458 CA CYS A 36 1.761 23.279 -21.914 1.00 0.00 C ATOM 459 C CYS A 36 0.321 22.764 -21.852 1.00 0.00 C ATOM 460 O CYS A 36 -0.617 23.531 -21.754 1.00 0.00 O ATOM 461 CB CYS A 36 1.892 24.279 -23.066 1.00 0.00 C ATOM 462 SG CYS A 36 3.608 24.843 -23.185 1.00 0.00 S ATOM 0 H CYS A 36 3.309 21.933 -21.327 1.00 0.00 H new ATOM 0 HA CYS A 36 2.007 23.771 -20.973 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.586 23.813 -24.003 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.230 25.129 -22.901 1.00 0.00 H new ATOM 467 N LYS A 37 0.133 21.474 -21.905 1.00 0.00 N ATOM 468 CA LYS A 37 -1.249 20.921 -21.848 1.00 0.00 C ATOM 469 C LYS A 37 -1.366 19.948 -20.673 1.00 0.00 C ATOM 470 O LYS A 37 -0.385 19.579 -20.060 1.00 0.00 O ATOM 471 CB LYS A 37 -1.555 20.183 -23.153 1.00 0.00 C ATOM 472 CG LYS A 37 -1.744 21.198 -24.281 1.00 0.00 C ATOM 473 CD LYS A 37 -3.109 20.986 -24.937 1.00 0.00 C ATOM 474 CE LYS A 37 -3.213 19.550 -25.452 1.00 0.00 C ATOM 475 NZ LYS A 37 -2.447 19.419 -26.723 1.00 0.00 N ATOM 0 H LYS A 37 0.876 20.780 -21.985 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.960 21.736 -21.714 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.741 19.500 -23.396 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.455 19.578 -23.039 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.672 22.212 -23.888 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.952 21.086 -25.021 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.904 21.184 -24.218 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.241 21.689 -25.760 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.823 18.857 -24.707 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.258 19.286 -25.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.533 18.446 -27.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.828 20.082 -27.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.445 19.637 -26.549 1.00 0.00 H new ATOM 489 N PHE A 38 -2.561 19.530 -20.356 1.00 0.00 N ATOM 490 CA PHE A 38 -2.742 18.581 -19.221 1.00 0.00 C ATOM 491 C PHE A 38 -2.147 17.222 -19.591 1.00 0.00 C ATOM 492 O PHE A 38 -1.745 16.993 -20.714 1.00 0.00 O ATOM 493 CB PHE A 38 -4.236 18.409 -18.927 1.00 0.00 C ATOM 494 CG PHE A 38 -4.852 19.752 -18.617 1.00 0.00 C ATOM 495 CD1 PHE A 38 -4.292 20.569 -17.629 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.988 20.176 -19.316 1.00 0.00 C ATOM 497 CE1 PHE A 38 -4.868 21.812 -17.340 1.00 0.00 C ATOM 498 CE2 PHE A 38 -6.564 21.419 -19.028 1.00 0.00 C ATOM 499 CZ PHE A 38 -6.003 22.238 -18.040 1.00 0.00 C ATOM 0 H PHE A 38 -3.419 19.804 -20.834 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.238 18.977 -18.339 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.736 17.958 -19.785 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.375 17.731 -18.085 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.416 20.241 -17.089 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.420 19.544 -20.078 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.436 22.442 -16.577 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.441 21.746 -19.567 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.446 23.198 -17.818 1.00 0.00 H new ATOM 509 N SER A 39 -2.095 16.316 -18.653 1.00 0.00 N ATOM 510 CA SER A 39 -1.537 14.968 -18.948 1.00 0.00 C ATOM 511 C SER A 39 -2.625 14.116 -19.618 1.00 0.00 C ATOM 512 O SER A 39 -3.206 14.514 -20.608 1.00 0.00 O ATOM 513 CB SER A 39 -1.078 14.318 -17.642 1.00 0.00 C ATOM 514 OG SER A 39 -0.359 13.127 -17.938 1.00 0.00 O ATOM 0 H SER A 39 -2.416 16.452 -17.694 1.00 0.00 H new ATOM 0 HA SER A 39 -0.683 15.049 -19.620 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.447 15.008 -17.081 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.939 14.090 -17.013 1.00 0.00 H new ATOM 0 HG SER A 39 0.531 13.358 -18.276 1.00 0.00 H new ATOM 520 N ARG A 40 -2.916 12.952 -19.094 1.00 0.00 N ATOM 521 CA ARG A 40 -3.971 12.106 -19.718 1.00 0.00 C ATOM 522 C ARG A 40 -5.040 11.774 -18.675 1.00 0.00 C ATOM 523 O ARG A 40 -4.801 11.842 -17.485 1.00 0.00 O ATOM 524 CB ARG A 40 -3.344 10.811 -20.241 1.00 0.00 C ATOM 525 CG ARG A 40 -3.098 10.936 -21.746 1.00 0.00 C ATOM 526 CD ARG A 40 -2.688 9.576 -22.313 1.00 0.00 C ATOM 527 NE ARG A 40 -1.974 9.771 -23.606 1.00 0.00 N ATOM 528 CZ ARG A 40 -0.915 9.061 -23.882 1.00 0.00 C ATOM 529 NH1 ARG A 40 -0.764 7.878 -23.350 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.004 9.532 -24.690 1.00 0.00 N ATOM 0 H ARG A 40 -2.471 12.555 -18.267 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.429 12.646 -20.547 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.405 10.614 -19.723 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.003 9.967 -20.038 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.000 11.292 -22.244 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.317 11.672 -21.937 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.044 9.054 -21.605 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.569 8.952 -22.462 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.314 10.461 -24.276 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.474 7.508 -22.718 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.064 7.323 -23.566 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.120 10.456 -25.106 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.824 8.976 -24.905 1.00 0.00 H new ATOM 544 N ALA A 41 -6.216 11.418 -19.110 1.00 0.00 N ATOM 545 CA ALA A 41 -7.300 11.085 -18.144 1.00 0.00 C ATOM 546 C ALA A 41 -6.909 9.831 -17.362 1.00 0.00 C ATOM 547 O ALA A 41 -6.823 8.748 -17.907 1.00 0.00 O ATOM 548 CB ALA A 41 -8.603 10.829 -18.906 1.00 0.00 C ATOM 0 H ALA A 41 -6.474 11.343 -20.094 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.444 11.916 -17.454 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.396 10.585 -18.199 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.878 11.722 -19.466 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.464 9.997 -19.596 1.00 0.00 H new ATOM 554 N GLY A 42 -6.664 9.971 -16.089 1.00 0.00 N ATOM 555 CA GLY A 42 -6.268 8.790 -15.273 1.00 0.00 C ATOM 556 C GLY A 42 -4.744 8.764 -15.151 1.00 0.00 C ATOM 557 O GLY A 42 -4.130 7.717 -15.123 1.00 0.00 O ATOM 0 H GLY A 42 -6.721 10.852 -15.579 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.725 8.844 -14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.625 7.872 -15.740 1.00 0.00 H new ATOM 561 N LYS A 43 -4.132 9.914 -15.085 1.00 0.00 N ATOM 562 CA LYS A 43 -2.647 9.967 -14.972 1.00 0.00 C ATOM 563 C LYS A 43 -2.242 9.777 -13.506 1.00 0.00 C ATOM 564 O LYS A 43 -2.653 10.516 -12.636 1.00 0.00 O ATOM 565 CB LYS A 43 -2.150 11.324 -15.485 1.00 0.00 C ATOM 566 CG LYS A 43 -0.732 11.593 -14.969 1.00 0.00 C ATOM 567 CD LYS A 43 0.193 10.449 -15.389 1.00 0.00 C ATOM 568 CE LYS A 43 1.650 10.906 -15.291 1.00 0.00 C ATOM 569 NZ LYS A 43 1.957 11.831 -16.417 1.00 0.00 N ATOM 0 H LYS A 43 -4.597 10.821 -15.104 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.200 9.173 -15.570 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.157 11.335 -16.575 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.822 12.115 -15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.362 12.538 -15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.741 11.687 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.029 9.582 -14.749 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.034 10.140 -16.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.822 11.406 -14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.316 10.044 -15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.561 11.345 -17.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.071 12.125 -16.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.453 12.669 -16.052 1.00 0.00 H new ATOM 583 N ILE A 44 -1.439 8.790 -13.230 1.00 0.00 N ATOM 584 CA ILE A 44 -1.010 8.550 -11.825 1.00 0.00 C ATOM 585 C ILE A 44 -0.241 9.766 -11.302 1.00 0.00 C ATOM 586 O ILE A 44 0.859 10.049 -11.732 1.00 0.00 O ATOM 587 CB ILE A 44 -0.107 7.317 -11.776 1.00 0.00 C ATOM 588 CG1 ILE A 44 -0.946 6.060 -12.024 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.559 7.224 -10.401 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.809 5.769 -10.794 1.00 0.00 C ATOM 0 H ILE A 44 -1.060 8.138 -13.917 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.889 8.387 -11.202 1.00 0.00 H new ATOM 0 HB ILE A 44 0.661 7.399 -12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.579 6.200 -12.900 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.295 5.211 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.202 6.345 -10.367 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.157 8.118 -10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.207 7.143 -9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.406 4.874 -10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.166 5.611 -9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.470 6.615 -10.605 1.00 0.00 H new ATOM 602 N CYS A 45 -0.809 10.477 -10.367 1.00 0.00 N ATOM 603 CA CYS A 45 -0.113 11.669 -9.800 1.00 0.00 C ATOM 604 C CYS A 45 0.404 11.317 -8.405 1.00 0.00 C ATOM 605 O CYS A 45 1.250 11.993 -7.852 1.00 0.00 O ATOM 606 CB CYS A 45 -1.100 12.833 -9.698 1.00 0.00 C ATOM 607 SG CYS A 45 -2.615 12.266 -8.887 1.00 0.00 S ATOM 0 H CYS A 45 -1.728 10.284 -9.969 1.00 0.00 H new ATOM 0 HA CYS A 45 0.718 11.957 -10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.656 13.652 -9.132 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.329 13.219 -10.692 1.00 0.00 H new ATOM 612 N ARG A 46 -0.099 10.256 -7.837 1.00 0.00 N ATOM 613 CA ARG A 46 0.350 9.837 -6.482 1.00 0.00 C ATOM 614 C ARG A 46 0.075 8.350 -6.308 1.00 0.00 C ATOM 615 O ARG A 46 -1.005 7.869 -6.589 1.00 0.00 O ATOM 616 CB ARG A 46 -0.412 10.629 -5.418 1.00 0.00 C ATOM 617 CG ARG A 46 0.578 11.409 -4.553 1.00 0.00 C ATOM 618 CD ARG A 46 0.121 12.864 -4.440 1.00 0.00 C ATOM 619 NE ARG A 46 1.227 13.688 -3.875 1.00 0.00 N ATOM 620 CZ ARG A 46 1.215 14.985 -4.021 1.00 0.00 C ATOM 621 NH1 ARG A 46 1.597 15.518 -5.150 1.00 0.00 N ATOM 622 NH2 ARG A 46 0.821 15.750 -3.039 1.00 0.00 N ATOM 0 H ARG A 46 -0.808 9.657 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 46 1.417 10.030 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.114 11.314 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.999 9.952 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.644 10.960 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.575 11.363 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.166 13.244 -5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.760 12.931 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 46 1.993 13.238 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.905 14.921 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.588 16.532 -5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.522 15.334 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.812 16.763 -3.154 1.00 0.00 H new ATOM 636 N ILE A 47 1.048 7.616 -5.859 1.00 0.00 N ATOM 637 CA ILE A 47 0.852 6.156 -5.678 1.00 0.00 C ATOM 638 C ILE A 47 1.116 5.785 -4.210 1.00 0.00 C ATOM 639 O ILE A 47 2.221 5.943 -3.729 1.00 0.00 O ATOM 640 CB ILE A 47 1.829 5.414 -6.611 1.00 0.00 C ATOM 641 CG1 ILE A 47 1.040 4.745 -7.740 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.611 4.345 -5.842 1.00 0.00 C ATOM 643 CD1 ILE A 47 0.275 3.543 -7.187 1.00 0.00 C ATOM 0 H ILE A 47 1.973 7.965 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.170 5.871 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 47 2.535 6.137 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.346 5.458 -8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.718 4.425 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.294 3.835 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.181 4.816 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.916 3.622 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.286 3.068 -7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.979 2.827 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.414 3.876 -6.411 1.00 0.00 H new ATOM 755 N ASP A 54 -4.816 3.850 -6.182 1.00 0.00 N ATOM 756 CA ASP A 54 -3.752 4.868 -6.429 1.00 0.00 C ATOM 757 C ASP A 54 -4.397 6.189 -6.860 1.00 0.00 C ATOM 758 O ASP A 54 -5.551 6.234 -7.236 1.00 0.00 O ATOM 759 CB ASP A 54 -2.829 4.367 -7.542 1.00 0.00 C ATOM 760 CG ASP A 54 -2.467 2.904 -7.282 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.365 2.536 -6.124 1.00 0.00 O ATOM 762 OD2 ASP A 54 -2.299 2.176 -8.247 1.00 0.00 O ATOM 0 HA ASP A 54 -3.178 5.027 -5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.322 4.465 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.925 4.975 -7.581 1.00 0.00 H new ATOM 767 N ASP A 55 -3.660 7.265 -6.808 1.00 0.00 N ATOM 768 CA ASP A 55 -4.233 8.581 -7.215 1.00 0.00 C ATOM 769 C ASP A 55 -3.959 8.817 -8.702 1.00 0.00 C ATOM 770 O ASP A 55 -2.868 8.592 -9.185 1.00 0.00 O ATOM 771 CB ASP A 55 -3.584 9.695 -6.391 1.00 0.00 C ATOM 772 CG ASP A 55 -3.578 9.300 -4.913 1.00 0.00 C ATOM 773 OD1 ASP A 55 -3.044 8.246 -4.604 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.107 10.056 -4.115 1.00 0.00 O ATOM 0 H ASP A 55 -2.687 7.291 -6.502 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.309 8.581 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.565 9.870 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.131 10.628 -6.527 1.00 0.00 H new ATOM 779 N ARG A 56 -4.945 9.263 -9.435 1.00 0.00 N ATOM 780 CA ARG A 56 -4.738 9.505 -10.891 1.00 0.00 C ATOM 781 C ARG A 56 -5.322 10.867 -11.280 1.00 0.00 C ATOM 782 O ARG A 56 -6.174 11.405 -10.601 1.00 0.00 O ATOM 783 CB ARG A 56 -5.444 8.408 -11.691 1.00 0.00 C ATOM 784 CG ARG A 56 -4.465 7.265 -11.968 1.00 0.00 C ATOM 785 CD ARG A 56 -5.208 6.110 -12.641 1.00 0.00 C ATOM 786 NE ARG A 56 -4.286 5.405 -13.574 1.00 0.00 N ATOM 787 CZ ARG A 56 -4.730 4.433 -14.321 1.00 0.00 C ATOM 788 NH1 ARG A 56 -4.917 3.249 -13.808 1.00 0.00 N ATOM 789 NH2 ARG A 56 -4.988 4.647 -15.583 1.00 0.00 N ATOM 0 H ARG A 56 -5.882 9.469 -9.089 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.670 9.494 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.305 8.036 -11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.821 8.814 -12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.655 7.613 -12.609 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.012 6.926 -11.036 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.582 5.416 -11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.074 6.488 -13.184 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.306 5.683 -13.629 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.716 3.083 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.264 2.489 -14.393 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.842 5.574 -15.983 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.335 3.887 -16.168 1.00 0.00 H new ATOM 803 N CYS A 57 -4.871 11.426 -12.371 1.00 0.00 N ATOM 804 CA CYS A 57 -5.403 12.748 -12.810 1.00 0.00 C ATOM 805 C CYS A 57 -6.660 12.531 -13.652 1.00 0.00 C ATOM 806 O CYS A 57 -6.890 11.457 -14.173 1.00 0.00 O ATOM 807 CB CYS A 57 -4.349 13.471 -13.653 1.00 0.00 C ATOM 808 SG CYS A 57 -2.717 13.242 -12.906 1.00 0.00 S ATOM 0 H CYS A 57 -4.156 11.024 -12.978 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.645 13.351 -11.935 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.353 13.081 -14.671 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.585 14.533 -13.717 1.00 0.00 H new ATOM 813 N THR A 58 -7.473 13.543 -13.792 1.00 0.00 N ATOM 814 CA THR A 58 -8.715 13.393 -14.601 1.00 0.00 C ATOM 815 C THR A 58 -8.415 13.704 -16.069 1.00 0.00 C ATOM 816 O THR A 58 -9.290 13.671 -16.911 1.00 0.00 O ATOM 817 CB THR A 58 -9.776 14.365 -14.081 1.00 0.00 C ATOM 818 OG1 THR A 58 -9.500 15.670 -14.568 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.754 14.372 -12.552 1.00 0.00 C ATOM 0 H THR A 58 -7.331 14.466 -13.381 1.00 0.00 H new ATOM 0 HA THR A 58 -9.081 12.370 -14.518 1.00 0.00 H new ATOM 0 HB THR A 58 -10.761 14.050 -14.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.893 16.128 -13.950 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.510 15.064 -12.180 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.966 13.369 -12.180 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.770 14.687 -12.204 1.00 0.00 H new ATOM 827 N GLY A 59 -7.185 14.007 -16.386 1.00 0.00 N ATOM 828 CA GLY A 59 -6.838 14.316 -17.801 1.00 0.00 C ATOM 829 C GLY A 59 -6.926 15.828 -18.028 1.00 0.00 C ATOM 830 O GLY A 59 -5.984 16.452 -18.473 1.00 0.00 O ATOM 0 H GLY A 59 -6.408 14.054 -15.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.832 13.961 -18.026 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.518 13.796 -18.476 1.00 0.00 H new ATOM 834 N GLN A 60 -8.048 16.420 -17.723 1.00 0.00 N ATOM 835 CA GLN A 60 -8.191 17.890 -17.923 1.00 0.00 C ATOM 836 C GLN A 60 -7.598 18.627 -16.722 1.00 0.00 C ATOM 837 O GLN A 60 -7.349 19.816 -16.771 1.00 0.00 O ATOM 838 CB GLN A 60 -9.673 18.248 -18.058 1.00 0.00 C ATOM 839 CG GLN A 60 -10.424 17.815 -16.797 1.00 0.00 C ATOM 840 CD GLN A 60 -11.753 18.566 -16.711 1.00 0.00 C ATOM 841 OE1 GLN A 60 -12.792 17.965 -16.517 1.00 0.00 O ATOM 842 NE2 GLN A 60 -11.766 19.864 -16.852 1.00 0.00 N ATOM 0 H GLN A 60 -8.871 15.950 -17.345 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.663 18.185 -18.830 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.786 19.322 -18.210 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.098 17.756 -18.933 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.602 16.740 -16.818 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.820 18.020 -15.913 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.894 20.368 -17.015 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.648 20.374 -16.799 1.00 0.00 H new ATOM 851 N SER A 61 -7.368 17.933 -15.641 1.00 0.00 N ATOM 852 CA SER A 61 -6.793 18.597 -14.438 1.00 0.00 C ATOM 853 C SER A 61 -5.272 18.678 -14.576 1.00 0.00 C ATOM 854 O SER A 61 -4.644 17.809 -15.149 1.00 0.00 O ATOM 855 CB SER A 61 -7.147 17.788 -13.191 1.00 0.00 C ATOM 856 OG SER A 61 -8.552 17.570 -13.157 1.00 0.00 O ATOM 0 H SER A 61 -7.554 16.935 -15.539 1.00 0.00 H new ATOM 0 HA SER A 61 -7.204 19.603 -14.349 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.619 16.834 -13.200 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.828 18.320 -12.295 1.00 0.00 H new ATOM 0 HG SER A 61 -8.783 17.050 -12.359 1.00 0.00 H new ATOM 862 N ALA A 62 -4.674 19.713 -14.053 1.00 0.00 N ATOM 863 CA ALA A 62 -3.194 19.850 -14.151 1.00 0.00 C ATOM 864 C ALA A 62 -2.552 19.372 -12.848 1.00 0.00 C ATOM 865 O ALA A 62 -1.620 18.590 -12.854 1.00 0.00 O ATOM 866 CB ALA A 62 -2.832 21.318 -14.392 1.00 0.00 C ATOM 0 H ALA A 62 -5.148 20.471 -13.561 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.826 19.246 -14.980 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.749 21.419 -14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.290 21.658 -15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.199 21.924 -13.563 1.00 0.00 H new ATOM 872 N ASP A 63 -3.041 19.832 -11.729 1.00 0.00 N ATOM 873 CA ASP A 63 -2.459 19.400 -10.425 1.00 0.00 C ATOM 874 C ASP A 63 -3.138 18.105 -9.973 1.00 0.00 C ATOM 875 O ASP A 63 -4.028 17.599 -10.627 1.00 0.00 O ATOM 876 CB ASP A 63 -2.688 20.488 -9.373 1.00 0.00 C ATOM 877 CG ASP A 63 -2.662 21.863 -10.043 1.00 0.00 C ATOM 878 OD1 ASP A 63 -1.800 22.077 -10.879 1.00 0.00 O ATOM 879 OD2 ASP A 63 -3.503 22.681 -9.706 1.00 0.00 O ATOM 0 H ASP A 63 -3.819 20.489 -11.661 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.389 19.232 -10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.646 20.332 -8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.918 20.432 -8.604 1.00 0.00 H new ATOM 884 N CYS A 64 -2.725 17.564 -8.860 1.00 0.00 N ATOM 885 CA CYS A 64 -3.350 16.304 -8.370 1.00 0.00 C ATOM 886 C CYS A 64 -3.974 16.536 -6.997 1.00 0.00 C ATOM 887 O CYS A 64 -3.281 16.616 -6.003 1.00 0.00 O ATOM 888 CB CYS A 64 -2.291 15.205 -8.278 1.00 0.00 C ATOM 889 SG CYS A 64 -3.026 13.721 -7.549 1.00 0.00 S ATOM 0 H CYS A 64 -1.983 17.940 -8.270 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.128 15.995 -9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.898 14.980 -9.269 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.451 15.544 -7.671 1.00 0.00 H new ATOM 894 N PRO A 65 -5.278 16.635 -6.994 1.00 0.00 N ATOM 895 CA PRO A 65 -6.050 16.856 -5.766 1.00 0.00 C ATOM 896 C PRO A 65 -6.182 15.554 -4.967 1.00 0.00 C ATOM 897 O PRO A 65 -5.358 15.246 -4.129 1.00 0.00 O ATOM 898 CB PRO A 65 -7.410 17.318 -6.288 1.00 0.00 C ATOM 899 CG PRO A 65 -7.530 16.817 -7.742 1.00 0.00 C ATOM 900 CD PRO A 65 -6.103 16.537 -8.220 1.00 0.00 C ATOM 0 HA PRO A 65 -5.587 17.574 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.216 16.915 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.490 18.404 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.141 15.916 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.011 17.565 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.023 15.550 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.786 17.261 -8.971 1.00 0.00 H new