USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 51 ASN : amide:sc= -0.388 K(o=-0.4,f=-4.2) USER MOD Set 1.2: A 54 MET CE :methyl -165:sc=-0.00772 (180deg=-0.226) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= -1.87 USER MOD Set 2.2: A 44 GLN : amide:sc= -4.87 K(o=-6.7,f=-4.8) USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 1.04 USER MOD Set 3.2: A 31 LYS NZ :NH3+ -135:sc= 1.15 (180deg=0) USER MOD Set 4.1: A 18 GLN : amide:sc= -0.72 K(o=-10,f=-8.5) USER MOD Set 4.2: A 38 CYS SG : rot -29:sc= -9.33! USER MOD Set 5.1: A 9 SER OG : rot -69:sc= -0.0369 USER MOD Set 5.2: A 11 GLN : amide:sc= -2.46 K(o=-2.5,f=-0.97!) USER MOD Single : A 0 LYS NZ :NH3+ 172:sc= -0.13 (180deg=-0.251) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS N :NH3+ -176:sc= 0 (180deg=-0.0223) USER MOD Single : A -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= -1.17! (180deg=-2.47!) USER MOD Single : A 24 GLN : amide:sc= -4.19! C(o=-4.2!,f=-4.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.89) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc=-0.00802 (180deg=-0.106) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -1.91! (180deg=-2.09!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0693) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 -3.702 15.031 2.127 1.00 0.00 N ATOM 2 CA LYS A -3 -2.217 14.996 2.055 1.00 0.00 C ATOM 3 C LYS A -3 -1.591 15.515 3.345 1.00 0.00 C ATOM 4 O LYS A -3 -0.643 14.927 3.866 1.00 0.00 O ATOM 5 CB LYS A -3 -1.768 15.852 0.869 1.00 0.00 C ATOM 6 CG LYS A -3 -0.490 15.355 0.211 1.00 0.00 C ATOM 7 CD LYS A -3 -0.510 15.584 -1.291 1.00 0.00 C ATOM 8 CE LYS A -3 -1.171 14.426 -2.022 1.00 0.00 C ATOM 9 NZ LYS A -3 -1.046 14.559 -3.500 1.00 0.00 N ATOM 0 H1 LYS A -3 -4.101 14.610 1.264 1.00 0.00 H new ATOM 0 H2 LYS A -3 -4.022 14.491 2.956 1.00 0.00 H new ATOM 0 H3 LYS A -3 -4.022 16.017 2.211 1.00 0.00 H new ATOM 0 HA LYS A -3 -1.888 13.965 1.922 1.00 0.00 H new ATOM 0 HB2 LYS A -3 -2.565 15.875 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A -3 -1.618 16.877 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A -3 0.368 15.868 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A -3 -0.364 14.292 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A -3 -1.044 16.508 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A -3 0.510 15.711 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A -3 -0.717 13.488 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A -3 -2.225 14.379 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 -1.509 13.750 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 -1.501 15.441 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 -0.040 14.578 -3.763 1.00 0.00 H new ATOM 25 N LYS A -2 -2.126 16.619 3.855 1.00 0.00 N ATOM 26 CA LYS A -2 -1.619 17.217 5.085 1.00 0.00 C ATOM 27 C LYS A -2 -0.154 17.611 4.934 1.00 0.00 C ATOM 28 O LYS A -2 0.420 17.509 3.849 1.00 0.00 O ATOM 29 CB LYS A -2 -1.782 16.244 6.253 1.00 0.00 C ATOM 30 CG LYS A -2 -3.204 15.734 6.427 1.00 0.00 C ATOM 31 CD LYS A -2 -3.223 14.291 6.908 1.00 0.00 C ATOM 32 CE LYS A -2 -3.443 13.324 5.757 1.00 0.00 C ATOM 33 NZ LYS A -2 -4.885 12.999 5.571 1.00 0.00 N ATOM 0 H LYS A -2 -2.911 17.118 3.436 1.00 0.00 H new ATOM 0 HA LYS A -2 -2.198 18.118 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -1.116 15.394 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -1.467 16.737 7.172 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -3.733 16.364 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -3.738 15.810 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -2.281 14.059 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -4.013 14.163 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -3.047 13.757 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -2.885 12.406 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -4.992 12.337 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -5.257 12.562 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -5.414 13.871 5.368 1.00 0.00 H new ATOM 47 N GLU A -1 0.448 18.061 6.030 1.00 0.00 N ATOM 48 CA GLU A -1 1.848 18.473 6.020 1.00 0.00 C ATOM 49 C GLU A -1 2.770 17.269 6.187 1.00 0.00 C ATOM 50 O GLU A -1 2.615 16.480 7.119 1.00 0.00 O ATOM 51 CB GLU A -1 2.111 19.489 7.131 1.00 0.00 C ATOM 52 CG GLU A -1 1.139 20.659 7.129 1.00 0.00 C ATOM 53 CD GLU A -1 1.534 21.745 8.109 1.00 0.00 C ATOM 54 OE1 GLU A -1 1.792 21.418 9.286 1.00 0.00 O ATOM 55 OE2 GLU A -1 1.584 22.925 7.699 1.00 0.00 O ATOM 0 H GLU A -1 -0.011 18.150 6.936 1.00 0.00 H new ATOM 0 HA GLU A -1 2.057 18.938 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A -1 2.056 18.983 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A -1 3.127 19.871 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A -1 1.087 21.082 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A -1 0.141 20.298 7.375 1.00 0.00 H new ATOM 62 N LYS A 0 3.731 17.136 5.279 1.00 0.00 N ATOM 63 CA LYS A 0 4.680 16.030 5.325 1.00 0.00 C ATOM 64 C LYS A 0 5.949 16.369 4.549 1.00 0.00 C ATOM 65 O LYS A 0 5.900 16.643 3.349 1.00 0.00 O ATOM 66 CB LYS A 0 4.044 14.760 4.757 1.00 0.00 C ATOM 67 CG LYS A 0 3.586 14.901 3.314 1.00 0.00 C ATOM 68 CD LYS A 0 2.268 14.183 3.075 1.00 0.00 C ATOM 69 CE LYS A 0 2.489 12.755 2.602 1.00 0.00 C ATOM 70 NZ LYS A 0 3.071 11.895 3.671 1.00 0.00 N ATOM 0 H LYS A 0 3.873 17.781 4.502 1.00 0.00 H new ATOM 0 HA LYS A 0 4.949 15.858 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 0 4.763 13.943 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 0 3.190 14.484 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 0 3.476 15.957 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 0 4.348 14.496 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 0 1.684 14.176 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 0 1.685 14.727 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 0 1.540 12.331 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 0 3.153 12.758 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 3.080 10.905 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 4.044 12.202 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 2.496 11.977 4.534 1.00 0.00 H new ATOM 84 N SER A 1 7.083 16.351 5.241 1.00 0.00 N ATOM 85 CA SER A 1 8.365 16.657 4.617 1.00 0.00 C ATOM 86 C SER A 1 8.836 15.499 3.738 1.00 0.00 C ATOM 87 O SER A 1 9.162 15.693 2.567 1.00 0.00 O ATOM 88 CB SER A 1 9.418 16.968 5.685 1.00 0.00 C ATOM 89 OG SER A 1 8.817 17.166 6.953 1.00 0.00 O ATOM 0 H SER A 1 7.140 16.128 6.235 1.00 0.00 H new ATOM 0 HA SER A 1 8.231 17.535 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.134 16.149 5.743 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.976 17.860 5.401 1.00 0.00 H new ATOM 0 HG SER A 1 9.511 17.361 7.617 1.00 0.00 H new ATOM 95 N PRO A 2 8.877 14.273 4.292 1.00 0.00 N ATOM 96 CA PRO A 2 9.311 13.086 3.546 1.00 0.00 C ATOM 97 C PRO A 2 8.518 12.893 2.259 1.00 0.00 C ATOM 98 O PRO A 2 7.338 13.236 2.187 1.00 0.00 O ATOM 99 CB PRO A 2 9.039 11.933 4.517 1.00 0.00 C ATOM 100 CG PRO A 2 9.048 12.560 5.867 1.00 0.00 C ATOM 101 CD PRO A 2 8.505 13.948 5.682 1.00 0.00 C ATOM 0 HA PRO A 2 10.353 13.160 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.080 11.458 4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.802 11.159 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.435 11.991 6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.057 12.587 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.425 13.981 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.944 14.650 6.391 1.00 0.00 H new ATOM 109 N LYS A 3 9.173 12.342 1.242 1.00 0.00 N ATOM 110 CA LYS A 3 8.527 12.104 -0.044 1.00 0.00 C ATOM 111 C LYS A 3 7.695 10.826 -0.006 1.00 0.00 C ATOM 112 O LYS A 3 6.623 10.753 -0.608 1.00 0.00 O ATOM 113 CB LYS A 3 9.573 12.017 -1.157 1.00 0.00 C ATOM 114 CG LYS A 3 10.482 10.803 -1.049 1.00 0.00 C ATOM 115 CD LYS A 3 11.859 11.088 -1.625 1.00 0.00 C ATOM 116 CE LYS A 3 11.900 10.834 -3.124 1.00 0.00 C ATOM 117 NZ LYS A 3 11.531 12.050 -3.902 1.00 0.00 N ATOM 0 H LYS A 3 10.150 12.052 1.283 1.00 0.00 H new ATOM 0 HA LYS A 3 7.861 12.942 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.064 11.994 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.184 12.920 -1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.577 10.510 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.032 9.962 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.132 12.124 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.599 10.461 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.900 10.509 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.217 10.022 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.571 11.837 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.567 12.346 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.198 12.818 -3.683 1.00 0.00 H new ATOM 131 N GLY A 4 8.194 9.821 0.705 1.00 0.00 N ATOM 132 CA GLY A 4 7.483 8.560 0.807 1.00 0.00 C ATOM 133 C GLY A 4 8.395 7.358 0.650 1.00 0.00 C ATOM 134 O GLY A 4 8.071 6.262 1.107 1.00 0.00 O ATOM 0 H GLY A 4 9.078 9.857 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.983 8.507 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.706 8.523 0.044 1.00 0.00 H new ATOM 138 N LYS A 5 9.536 7.561 -0.001 1.00 0.00 N ATOM 139 CA LYS A 5 10.494 6.482 -0.217 1.00 0.00 C ATOM 140 C LYS A 5 9.857 5.347 -1.016 1.00 0.00 C ATOM 141 O LYS A 5 9.676 4.240 -0.508 1.00 0.00 O ATOM 142 CB LYS A 5 11.013 5.956 1.123 1.00 0.00 C ATOM 143 CG LYS A 5 12.474 5.535 1.086 1.00 0.00 C ATOM 144 CD LYS A 5 13.140 5.714 2.441 1.00 0.00 C ATOM 145 CE LYS A 5 14.654 5.732 2.319 1.00 0.00 C ATOM 146 NZ LYS A 5 15.312 6.057 3.616 1.00 0.00 N ATOM 0 H LYS A 5 9.820 8.461 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 5 11.333 6.879 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.885 6.728 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.406 5.104 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.545 4.491 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.005 6.124 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.799 6.645 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.837 4.905 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.002 4.760 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.949 6.465 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.344 6.059 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.000 6.995 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.051 5.343 4.326 1.00 0.00 H new ATOM 160 N SER A 6 9.517 5.633 -2.269 1.00 0.00 N ATOM 161 CA SER A 6 8.898 4.640 -3.140 1.00 0.00 C ATOM 162 C SER A 6 9.788 3.410 -3.288 1.00 0.00 C ATOM 163 O SER A 6 9.301 2.280 -3.319 1.00 0.00 O ATOM 164 CB SER A 6 8.615 5.246 -4.516 1.00 0.00 C ATOM 165 OG SER A 6 9.804 5.737 -5.112 1.00 0.00 O ATOM 0 H SER A 6 9.660 6.545 -2.704 1.00 0.00 H new ATOM 0 HA SER A 6 7.958 4.331 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.165 4.493 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.892 6.056 -4.418 1.00 0.00 H new ATOM 0 HG SER A 6 9.596 6.117 -5.991 1.00 0.00 H new ATOM 171 N SER A 7 11.094 3.637 -3.378 1.00 0.00 N ATOM 172 CA SER A 7 12.050 2.546 -3.524 1.00 0.00 C ATOM 173 C SER A 7 12.419 1.961 -2.164 1.00 0.00 C ATOM 174 O SER A 7 13.542 2.130 -1.687 1.00 0.00 O ATOM 175 CB SER A 7 13.309 3.034 -4.243 1.00 0.00 C ATOM 176 OG SER A 7 14.116 1.945 -4.656 1.00 0.00 O ATOM 0 H SER A 7 11.514 4.566 -3.352 1.00 0.00 H new ATOM 0 HA SER A 7 11.582 1.763 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.028 3.631 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.881 3.684 -3.580 1.00 0.00 H new ATOM 0 HG SER A 7 14.913 2.284 -5.114 1.00 0.00 H new ATOM 182 N ILE A 8 11.467 1.271 -1.544 1.00 0.00 N ATOM 183 CA ILE A 8 11.694 0.660 -0.241 1.00 0.00 C ATOM 184 C ILE A 8 12.278 -0.743 -0.387 1.00 0.00 C ATOM 185 O ILE A 8 12.259 -1.323 -1.473 1.00 0.00 O ATOM 186 CB ILE A 8 10.385 0.598 0.590 1.00 0.00 C ATOM 187 CG1 ILE A 8 10.701 0.670 2.085 1.00 0.00 C ATOM 188 CG2 ILE A 8 9.585 -0.664 0.276 1.00 0.00 C ATOM 189 CD1 ILE A 8 9.501 1.027 2.936 1.00 0.00 C ATOM 0 H ILE A 8 10.532 1.122 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 8 12.411 1.288 0.288 1.00 0.00 H new ATOM 0 HB ILE A 8 9.773 1.458 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.096 -0.292 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.486 1.409 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.674 -0.676 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.323 -0.675 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.185 -1.543 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.796 1.061 3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.119 2.002 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.723 0.275 2.802 1.00 0.00 H new ATOM 201 N SER A 9 12.780 -1.286 0.715 1.00 0.00 N ATOM 202 CA SER A 9 13.353 -2.628 0.723 1.00 0.00 C ATOM 203 C SER A 9 12.344 -3.632 0.158 1.00 0.00 C ATOM 204 O SER A 9 11.255 -3.240 -0.261 1.00 0.00 O ATOM 205 CB SER A 9 13.746 -3.006 2.156 1.00 0.00 C ATOM 206 OG SER A 9 13.593 -1.906 3.038 1.00 0.00 O ATOM 0 H SER A 9 12.802 -0.815 1.620 1.00 0.00 H new ATOM 0 HA SER A 9 14.244 -2.648 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.129 -3.837 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.781 -3.348 2.174 1.00 0.00 H new ATOM 0 HG SER A 9 14.267 -1.225 2.831 1.00 0.00 H new ATOM 212 N PRO A 10 12.660 -4.943 0.147 1.00 0.00 N ATOM 213 CA PRO A 10 11.730 -5.954 -0.363 1.00 0.00 C ATOM 214 C PRO A 10 10.381 -5.856 0.338 1.00 0.00 C ATOM 215 O PRO A 10 9.361 -6.312 -0.177 1.00 0.00 O ATOM 216 CB PRO A 10 12.414 -7.289 -0.043 1.00 0.00 C ATOM 217 CG PRO A 10 13.475 -6.957 0.949 1.00 0.00 C ATOM 218 CD PRO A 10 13.905 -5.552 0.638 1.00 0.00 C ATOM 0 HA PRO A 10 11.526 -5.833 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.703 -8.007 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.840 -7.738 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.095 -7.032 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.314 -7.649 0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.288 -5.039 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.694 -5.525 -0.113 1.00 0.00 H new ATOM 226 N GLN A 11 10.389 -5.237 1.517 1.00 0.00 N ATOM 227 CA GLN A 11 9.181 -5.048 2.303 1.00 0.00 C ATOM 228 C GLN A 11 8.093 -4.381 1.474 1.00 0.00 C ATOM 229 O GLN A 11 6.917 -4.522 1.771 1.00 0.00 O ATOM 230 CB GLN A 11 9.487 -4.207 3.543 1.00 0.00 C ATOM 231 CG GLN A 11 10.526 -4.835 4.461 1.00 0.00 C ATOM 232 CD GLN A 11 11.763 -3.974 4.624 1.00 0.00 C ATOM 233 OE1 GLN A 11 12.887 -4.477 4.624 1.00 0.00 O ATOM 234 NE2 GLN A 11 11.565 -2.668 4.769 1.00 0.00 N ATOM 0 H GLN A 11 11.231 -4.856 1.949 1.00 0.00 H new ATOM 0 HA GLN A 11 8.820 -6.028 2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.838 -3.224 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.565 -4.051 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.080 -5.011 5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.816 -5.807 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.617 -2.292 4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.361 -2.041 4.886 1.00 0.00 H new ATOM 243 N ALA A 12 8.477 -3.664 0.422 1.00 0.00 N ATOM 244 CA ALA A 12 7.491 -3.009 -0.432 1.00 0.00 C ATOM 245 C ALA A 12 6.356 -3.977 -0.762 1.00 0.00 C ATOM 246 O ALA A 12 5.189 -3.725 -0.452 1.00 0.00 O ATOM 247 CB ALA A 12 8.147 -2.500 -1.708 1.00 0.00 C ATOM 0 H ALA A 12 9.448 -3.523 0.143 1.00 0.00 H new ATOM 0 HA ALA A 12 7.076 -2.155 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.398 -2.014 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.928 -1.783 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.585 -3.337 -2.251 1.00 0.00 H new ATOM 253 N ARG A 13 6.723 -5.099 -1.369 1.00 0.00 N ATOM 254 CA ARG A 13 5.760 -6.131 -1.730 1.00 0.00 C ATOM 255 C ARG A 13 5.425 -7.001 -0.524 1.00 0.00 C ATOM 256 O ARG A 13 4.292 -7.453 -0.370 1.00 0.00 O ATOM 257 CB ARG A 13 6.325 -7.004 -2.851 1.00 0.00 C ATOM 258 CG ARG A 13 7.512 -7.850 -2.414 1.00 0.00 C ATOM 259 CD ARG A 13 8.522 -8.026 -3.536 1.00 0.00 C ATOM 260 NE ARG A 13 8.831 -9.433 -3.780 1.00 0.00 N ATOM 261 CZ ARG A 13 9.559 -10.185 -2.957 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.056 -9.668 -1.840 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.792 -11.456 -3.253 1.00 0.00 N ATOM 0 H ARG A 13 7.686 -5.318 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 13 4.848 -5.643 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.538 -7.660 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.628 -6.366 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.997 -7.381 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.160 -8.828 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.131 -7.577 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.439 -7.492 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 13 8.468 -9.864 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.881 -8.690 -1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.613 -10.249 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.414 -11.857 -4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.350 -12.032 -2.623 1.00 0.00 H new ATOM 277 N ALA A 14 6.424 -7.240 0.323 1.00 0.00 N ATOM 278 CA ALA A 14 6.244 -8.066 1.510 1.00 0.00 C ATOM 279 C ALA A 14 5.284 -7.415 2.501 1.00 0.00 C ATOM 280 O ALA A 14 4.328 -8.040 2.960 1.00 0.00 O ATOM 281 CB ALA A 14 7.590 -8.333 2.170 1.00 0.00 C ATOM 0 H ALA A 14 7.368 -6.871 0.207 1.00 0.00 H new ATOM 0 HA ALA A 14 5.806 -9.014 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.445 -8.951 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.243 -8.853 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.048 -7.387 2.459 1.00 0.00 H new ATOM 287 N PHE A 15 5.545 -6.152 2.825 1.00 0.00 N ATOM 288 CA PHE A 15 4.714 -5.409 3.755 1.00 0.00 C ATOM 289 C PHE A 15 3.272 -5.396 3.281 1.00 0.00 C ATOM 290 O PHE A 15 2.359 -5.679 4.052 1.00 0.00 O ATOM 291 CB PHE A 15 5.259 -3.978 3.962 1.00 0.00 C ATOM 292 CG PHE A 15 4.715 -2.919 3.023 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.369 -2.582 3.027 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.559 -2.255 2.143 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.878 -1.614 2.172 1.00 0.00 C ATOM 296 CE2 PHE A 15 5.070 -1.284 1.288 1.00 0.00 C ATOM 297 CZ PHE A 15 3.729 -0.965 1.301 1.00 0.00 C ATOM 0 H PHE A 15 6.333 -5.622 2.452 1.00 0.00 H new ATOM 0 HA PHE A 15 4.743 -5.909 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.044 -3.673 4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.344 -4.005 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.696 -3.083 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.611 -2.500 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.827 -1.365 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.739 -0.775 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.346 -0.209 0.631 1.00 0.00 H new ATOM 307 N LEU A 16 3.067 -5.080 2.008 1.00 0.00 N ATOM 308 CA LEU A 16 1.721 -5.056 1.463 1.00 0.00 C ATOM 309 C LEU A 16 1.221 -6.474 1.238 1.00 0.00 C ATOM 310 O LEU A 16 0.019 -6.735 1.293 1.00 0.00 O ATOM 311 CB LEU A 16 1.655 -4.253 0.168 1.00 0.00 C ATOM 312 CG LEU A 16 0.326 -3.526 -0.051 1.00 0.00 C ATOM 313 CD1 LEU A 16 0.502 -2.024 0.122 1.00 0.00 C ATOM 314 CD2 LEU A 16 -0.243 -3.852 -1.424 1.00 0.00 C ATOM 0 H LEU A 16 3.804 -4.841 1.345 1.00 0.00 H new ATOM 0 HA LEU A 16 1.074 -4.563 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.462 -3.520 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.832 -4.924 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.384 -3.872 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.454 -1.525 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.857 -1.813 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.229 -1.657 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.188 -3.326 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.462 -3.538 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.411 -4.926 -1.502 1.00 0.00 H new ATOM 326 N GLU A 17 2.152 -7.398 1.009 1.00 0.00 N ATOM 327 CA GLU A 17 1.793 -8.797 0.809 1.00 0.00 C ATOM 328 C GLU A 17 0.955 -9.275 1.983 1.00 0.00 C ATOM 329 O GLU A 17 -0.193 -9.679 1.815 1.00 0.00 O ATOM 330 CB GLU A 17 3.049 -9.662 0.671 1.00 0.00 C ATOM 331 CG GLU A 17 3.334 -10.096 -0.758 1.00 0.00 C ATOM 332 CD GLU A 17 4.637 -10.859 -0.886 1.00 0.00 C ATOM 333 OE1 GLU A 17 4.628 -12.089 -0.667 1.00 0.00 O ATOM 334 OE2 GLU A 17 5.665 -10.228 -1.207 1.00 0.00 O ATOM 0 H GLU A 17 3.152 -7.204 0.958 1.00 0.00 H new ATOM 0 HA GLU A 17 1.215 -8.887 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.906 -9.107 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.941 -10.548 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.515 -10.721 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.367 -9.217 -1.401 1.00 0.00 H new ATOM 341 N GLN A 18 1.534 -9.196 3.175 1.00 0.00 N ATOM 342 CA GLN A 18 0.837 -9.594 4.388 1.00 0.00 C ATOM 343 C GLN A 18 -0.385 -8.707 4.602 1.00 0.00 C ATOM 344 O GLN A 18 -1.405 -9.153 5.126 1.00 0.00 O ATOM 345 CB GLN A 18 1.774 -9.515 5.598 1.00 0.00 C ATOM 346 CG GLN A 18 2.675 -8.288 5.602 1.00 0.00 C ATOM 347 CD GLN A 18 2.461 -7.409 6.819 1.00 0.00 C ATOM 348 OE1 GLN A 18 3.416 -6.901 7.408 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.203 -7.222 7.204 1.00 0.00 N ATOM 0 H GLN A 18 2.485 -8.860 3.326 1.00 0.00 H new ATOM 0 HA GLN A 18 0.507 -10.627 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.176 -9.517 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.396 -10.410 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.717 -8.607 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.491 -7.704 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.441 -7.661 6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.999 -6.639 8.016 1.00 0.00 H new ATOM 358 N VAL A 19 -0.278 -7.449 4.174 1.00 0.00 N ATOM 359 CA VAL A 19 -1.382 -6.501 4.303 1.00 0.00 C ATOM 360 C VAL A 19 -2.606 -7.002 3.540 1.00 0.00 C ATOM 361 O VAL A 19 -3.671 -7.212 4.120 1.00 0.00 O ATOM 362 CB VAL A 19 -0.986 -5.103 3.772 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.197 -4.186 3.663 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.074 -4.473 4.661 1.00 0.00 C ATOM 0 H VAL A 19 0.559 -7.065 3.737 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.621 -6.417 5.363 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.573 -5.235 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.883 -3.212 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.924 -4.623 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.652 -4.066 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.339 -3.490 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.316 -4.368 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.960 -5.108 4.677 1.00 0.00 H new ATOM 374 N PHE A 20 -2.436 -7.197 2.236 1.00 0.00 N ATOM 375 CA PHE A 20 -3.516 -7.680 1.383 1.00 0.00 C ATOM 376 C PHE A 20 -3.865 -9.131 1.714 1.00 0.00 C ATOM 377 O PHE A 20 -4.905 -9.639 1.297 1.00 0.00 O ATOM 378 CB PHE A 20 -3.110 -7.553 -0.089 1.00 0.00 C ATOM 379 CG PHE A 20 -4.068 -8.198 -1.052 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.030 -9.566 -1.276 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.002 -7.437 -1.737 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.906 -10.161 -2.164 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.879 -8.027 -2.627 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.831 -9.391 -2.840 1.00 0.00 C ATOM 0 H PHE A 20 -1.558 -7.027 1.746 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.401 -7.070 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.018 -6.496 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.124 -7.999 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.308 -10.173 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.045 -6.370 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.867 -11.228 -2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.601 -7.422 -3.155 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.516 -9.854 -3.534 1.00 0.00 H new ATOM 394 N ARG A 21 -2.992 -9.792 2.467 1.00 0.00 N ATOM 395 CA ARG A 21 -3.213 -11.180 2.852 1.00 0.00 C ATOM 396 C ARG A 21 -4.131 -11.259 4.067 1.00 0.00 C ATOM 397 O ARG A 21 -4.955 -12.165 4.177 1.00 0.00 O ATOM 398 CB ARG A 21 -1.879 -11.859 3.159 1.00 0.00 C ATOM 399 CG ARG A 21 -1.752 -13.252 2.567 1.00 0.00 C ATOM 400 CD ARG A 21 -0.853 -13.252 1.340 1.00 0.00 C ATOM 401 NE ARG A 21 -0.597 -14.604 0.847 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.111 -14.870 -0.363 1.00 0.00 C ATOM 403 NH1 ARG A 21 0.171 -13.883 -1.205 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.095 -16.127 -0.733 1.00 0.00 N ATOM 0 H ARG A 21 -2.125 -9.388 2.822 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.692 -11.697 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.069 -11.237 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.753 -11.920 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.348 -13.932 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.740 -13.626 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.317 -12.661 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.094 -12.770 1.585 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.803 -15.388 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.015 -12.914 -0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.543 -14.093 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.119 -16.889 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.467 -16.331 -1.660 1.00 0.00 H new ATOM 418 N ARG A 22 -3.982 -10.298 4.973 1.00 0.00 N ATOM 419 CA ARG A 22 -4.797 -10.251 6.179 1.00 0.00 C ATOM 420 C ARG A 22 -6.273 -10.116 5.823 1.00 0.00 C ATOM 421 O ARG A 22 -7.138 -10.710 6.467 1.00 0.00 O ATOM 422 CB ARG A 22 -4.365 -9.077 7.057 1.00 0.00 C ATOM 423 CG ARG A 22 -3.058 -9.314 7.794 1.00 0.00 C ATOM 424 CD ARG A 22 -2.467 -8.016 8.319 1.00 0.00 C ATOM 425 NE ARG A 22 -2.653 -7.873 9.760 1.00 0.00 N ATOM 426 CZ ARG A 22 -1.964 -8.561 10.669 1.00 0.00 C ATOM 427 NH1 ARG A 22 -1.042 -9.438 10.288 1.00 0.00 N ATOM 428 NH2 ARG A 22 -2.196 -8.371 11.961 1.00 0.00 N ATOM 0 H ARG A 22 -3.303 -9.541 4.894 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.655 -11.181 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.265 -8.187 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.150 -8.871 7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.227 -9.999 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.344 -9.795 7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.403 -7.982 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.932 -7.173 7.808 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.352 -7.207 10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.859 -9.587 9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.517 -9.962 10.988 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.902 -7.698 12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.668 -8.898 12.657 1.00 0.00 H new ATOM 442 N LYS A 23 -6.544 -9.334 4.786 1.00 0.00 N ATOM 443 CA LYS A 23 -7.909 -9.115 4.324 1.00 0.00 C ATOM 444 C LYS A 23 -7.905 -8.507 2.919 1.00 0.00 C ATOM 445 O LYS A 23 -7.015 -8.796 2.122 1.00 0.00 O ATOM 446 CB LYS A 23 -8.673 -8.222 5.308 1.00 0.00 C ATOM 447 CG LYS A 23 -8.212 -6.771 5.311 1.00 0.00 C ATOM 448 CD LYS A 23 -9.058 -5.880 6.222 1.00 0.00 C ATOM 449 CE LYS A 23 -10.428 -6.473 6.536 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.288 -6.568 5.323 1.00 0.00 N ATOM 0 H LYS A 23 -5.834 -8.839 4.247 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.420 -10.077 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.735 -8.255 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.564 -8.630 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.171 -6.726 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.249 -6.381 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.520 -5.710 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.190 -4.907 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.303 -7.465 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.926 -5.858 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.091 -5.913 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.731 -6.317 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.644 -7.540 5.225 1.00 0.00 H new ATOM 464 N GLN A 24 -8.897 -7.674 2.608 1.00 0.00 N ATOM 465 CA GLN A 24 -8.973 -7.059 1.287 1.00 0.00 C ATOM 466 C GLN A 24 -9.561 -5.654 1.353 1.00 0.00 C ATOM 467 O GLN A 24 -9.025 -4.716 0.763 1.00 0.00 O ATOM 468 CB GLN A 24 -9.828 -7.920 0.354 1.00 0.00 C ATOM 469 CG GLN A 24 -9.641 -9.415 0.552 1.00 0.00 C ATOM 470 CD GLN A 24 -8.320 -9.916 0.003 1.00 0.00 C ATOM 471 OE1 GLN A 24 -7.723 -9.294 -0.876 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.855 -11.047 0.521 1.00 0.00 N ATOM 0 H GLN A 24 -9.650 -7.413 3.245 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.956 -6.988 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.878 -7.672 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.588 -7.667 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.699 -9.647 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.458 -9.947 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.383 -11.530 1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.970 -11.433 0.192 1.00 0.00 H new ATOM 481 N SER A 25 -10.679 -5.525 2.049 1.00 0.00 N ATOM 482 CA SER A 25 -11.365 -4.244 2.165 1.00 0.00 C ATOM 483 C SER A 25 -10.774 -3.362 3.263 1.00 0.00 C ATOM 484 O SER A 25 -11.385 -3.173 4.315 1.00 0.00 O ATOM 485 CB SER A 25 -12.854 -4.474 2.427 1.00 0.00 C ATOM 486 OG SER A 25 -13.583 -3.262 2.332 1.00 0.00 O ATOM 0 H SER A 25 -11.133 -6.292 2.544 1.00 0.00 H new ATOM 0 HA SER A 25 -11.230 -3.718 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.246 -5.194 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.989 -4.906 3.418 1.00 0.00 H new ATOM 0 HG SER A 25 -14.532 -3.437 2.502 1.00 0.00 H new ATOM 492 N LEU A 26 -9.596 -2.802 3.004 1.00 0.00 N ATOM 493 CA LEU A 26 -8.950 -1.916 3.967 1.00 0.00 C ATOM 494 C LEU A 26 -9.654 -0.561 3.979 1.00 0.00 C ATOM 495 O LEU A 26 -9.670 0.145 2.971 1.00 0.00 O ATOM 496 CB LEU A 26 -7.464 -1.723 3.625 1.00 0.00 C ATOM 497 CG LEU A 26 -6.595 -2.992 3.630 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.243 -2.714 4.276 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.294 -4.137 4.346 1.00 0.00 C ATOM 0 H LEU A 26 -9.072 -2.945 2.141 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.021 -2.374 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.396 -1.266 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.038 -1.014 4.335 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.435 -3.288 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.643 -3.624 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.726 -1.935 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.392 -2.384 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.654 -5.019 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.496 -3.851 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.233 -4.362 3.841 1.00 0.00 H new ATOM 511 N ASN A 27 -10.240 -0.201 5.118 1.00 0.00 N ATOM 512 CA ASN A 27 -10.949 1.073 5.237 1.00 0.00 C ATOM 513 C ASN A 27 -10.040 2.150 5.818 1.00 0.00 C ATOM 514 O ASN A 27 -8.894 1.885 6.169 1.00 0.00 O ATOM 515 CB ASN A 27 -12.217 0.938 6.099 1.00 0.00 C ATOM 516 CG ASN A 27 -12.392 -0.444 6.704 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.951 -1.344 6.077 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.912 -0.615 7.930 1.00 0.00 N ATOM 0 H ASN A 27 -10.239 -0.767 5.966 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.250 1.368 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.182 1.676 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.089 1.172 5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.999 -1.521 8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.456 0.160 8.412 1.00 0.00 H new ATOM 525 N SER A 28 -10.563 3.370 5.916 1.00 0.00 N ATOM 526 CA SER A 28 -9.802 4.496 6.453 1.00 0.00 C ATOM 527 C SER A 28 -9.113 4.121 7.762 1.00 0.00 C ATOM 528 O SER A 28 -8.059 4.661 8.099 1.00 0.00 O ATOM 529 CB SER A 28 -10.723 5.697 6.676 1.00 0.00 C ATOM 530 OG SER A 28 -10.811 6.495 5.509 1.00 0.00 O ATOM 0 H SER A 28 -11.513 3.605 5.630 1.00 0.00 H new ATOM 0 HA SER A 28 -9.034 4.760 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.717 5.350 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.348 6.298 7.504 1.00 0.00 H new ATOM 0 HG SER A 28 -11.407 7.255 5.677 1.00 0.00 H new ATOM 536 N LYS A 29 -9.717 3.193 8.494 1.00 0.00 N ATOM 537 CA LYS A 29 -9.168 2.741 9.763 1.00 0.00 C ATOM 538 C LYS A 29 -8.023 1.765 9.539 1.00 0.00 C ATOM 539 O LYS A 29 -6.950 1.904 10.121 1.00 0.00 O ATOM 540 CB LYS A 29 -10.263 2.071 10.588 1.00 0.00 C ATOM 541 CG LYS A 29 -11.293 3.040 11.148 1.00 0.00 C ATOM 542 CD LYS A 29 -10.630 4.212 11.854 1.00 0.00 C ATOM 543 CE LYS A 29 -10.638 5.461 10.986 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.872 6.693 11.790 1.00 0.00 N ATOM 0 H LYS A 29 -10.590 2.738 8.228 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.783 3.607 10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.772 1.334 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.802 1.529 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.923 3.410 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.946 2.516 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.149 4.415 12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.603 3.951 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.686 5.545 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.414 5.370 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.870 7.522 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.792 6.624 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.118 6.794 12.499 1.00 0.00 H new ATOM 558 N GLU A 30 -8.261 0.785 8.682 1.00 0.00 N ATOM 559 CA GLU A 30 -7.256 -0.213 8.367 1.00 0.00 C ATOM 560 C GLU A 30 -6.161 0.405 7.523 1.00 0.00 C ATOM 561 O GLU A 30 -4.995 0.087 7.678 1.00 0.00 O ATOM 562 CB GLU A 30 -7.882 -1.390 7.623 1.00 0.00 C ATOM 563 CG GLU A 30 -9.004 -2.069 8.391 1.00 0.00 C ATOM 564 CD GLU A 30 -8.855 -3.577 8.433 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.705 -4.063 8.396 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.890 -4.274 8.503 1.00 0.00 O ATOM 0 H GLU A 30 -9.146 0.661 8.191 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.828 -0.579 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.268 -1.040 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.107 -2.124 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.028 -1.682 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.959 -1.815 7.931 1.00 0.00 H new ATOM 573 N LYS A 31 -6.544 1.304 6.636 1.00 0.00 N ATOM 574 CA LYS A 31 -5.583 1.971 5.781 1.00 0.00 C ATOM 575 C LYS A 31 -4.595 2.766 6.626 1.00 0.00 C ATOM 576 O LYS A 31 -3.421 2.873 6.291 1.00 0.00 O ATOM 577 CB LYS A 31 -6.315 2.876 4.790 1.00 0.00 C ATOM 578 CG LYS A 31 -6.485 4.306 5.272 1.00 0.00 C ATOM 579 CD LYS A 31 -7.132 5.172 4.210 1.00 0.00 C ATOM 580 CE LYS A 31 -7.549 6.524 4.769 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.712 7.094 4.032 1.00 0.00 N ATOM 0 H LYS A 31 -7.513 1.588 6.490 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.021 1.227 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.768 2.883 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.298 2.453 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.095 4.317 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.513 4.720 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.435 5.318 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.005 4.660 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.804 6.418 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.708 7.216 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.537 8.100 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.841 6.581 3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.570 7.000 4.612 1.00 0.00 H new ATOM 595 N GLU A 32 -5.089 3.314 7.730 1.00 0.00 N ATOM 596 CA GLU A 32 -4.255 4.094 8.635 1.00 0.00 C ATOM 597 C GLU A 32 -3.629 3.193 9.695 1.00 0.00 C ATOM 598 O GLU A 32 -2.484 3.392 10.102 1.00 0.00 O ATOM 599 CB GLU A 32 -5.091 5.196 9.296 1.00 0.00 C ATOM 600 CG GLU A 32 -6.049 4.686 10.365 1.00 0.00 C ATOM 601 CD GLU A 32 -6.682 5.810 11.165 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.299 6.980 10.955 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.561 5.518 12.004 1.00 0.00 O ATOM 0 H GLU A 32 -6.064 3.232 8.020 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.452 4.556 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.420 5.929 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.663 5.715 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.833 4.095 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.512 4.021 11.042 1.00 0.00 H new ATOM 610 N GLU A 33 -4.393 2.198 10.131 1.00 0.00 N ATOM 611 CA GLU A 33 -3.936 1.252 11.138 1.00 0.00 C ATOM 612 C GLU A 33 -2.941 0.266 10.538 1.00 0.00 C ATOM 613 O GLU A 33 -1.986 -0.151 11.192 1.00 0.00 O ATOM 614 CB GLU A 33 -5.134 0.496 11.710 1.00 0.00 C ATOM 615 CG GLU A 33 -6.040 1.356 12.575 1.00 0.00 C ATOM 616 CD GLU A 33 -5.762 1.192 14.056 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.598 0.915 14.415 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.708 1.339 14.858 1.00 0.00 O ATOM 0 H GLU A 33 -5.342 2.026 9.798 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.437 1.803 11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.717 0.081 10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.773 -0.346 12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.912 2.403 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.080 1.098 12.374 1.00 0.00 H new ATOM 625 N VAL A 34 -3.179 -0.092 9.283 1.00 0.00 N ATOM 626 CA VAL A 34 -2.320 -1.024 8.561 1.00 0.00 C ATOM 627 C VAL A 34 -1.069 -0.310 8.062 1.00 0.00 C ATOM 628 O VAL A 34 0.027 -0.868 8.086 1.00 0.00 O ATOM 629 CB VAL A 34 -3.072 -1.666 7.368 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.151 -2.537 6.525 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.255 -2.481 7.868 1.00 0.00 C ATOM 0 H VAL A 34 -3.969 0.253 8.738 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.030 -1.817 9.250 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.436 -0.858 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.715 -2.969 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.337 -1.930 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.741 -3.337 7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.775 -2.926 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.899 -3.270 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.940 -1.831 8.413 1.00 0.00 H new ATOM 641 N ALA A 35 -1.245 0.925 7.610 1.00 0.00 N ATOM 642 CA ALA A 35 -0.130 1.716 7.103 1.00 0.00 C ATOM 643 C ALA A 35 0.911 1.993 8.184 1.00 0.00 C ATOM 644 O ALA A 35 2.100 2.124 7.894 1.00 0.00 O ATOM 645 CB ALA A 35 -0.633 3.023 6.518 1.00 0.00 C ATOM 0 H ALA A 35 -2.147 1.400 7.584 1.00 0.00 H new ATOM 0 HA ALA A 35 0.353 1.132 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.211 3.603 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.322 2.814 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.150 3.592 7.290 1.00 0.00 H new ATOM 651 N LYS A 36 0.459 2.107 9.426 1.00 0.00 N ATOM 652 CA LYS A 36 1.356 2.399 10.540 1.00 0.00 C ATOM 653 C LYS A 36 1.963 1.137 11.154 1.00 0.00 C ATOM 654 O LYS A 36 2.984 1.209 11.838 1.00 0.00 O ATOM 655 CB LYS A 36 0.608 3.188 11.612 1.00 0.00 C ATOM 656 CG LYS A 36 -0.458 2.379 12.331 1.00 0.00 C ATOM 657 CD LYS A 36 -1.203 3.222 13.352 1.00 0.00 C ATOM 658 CE LYS A 36 -0.608 3.071 14.742 1.00 0.00 C ATOM 659 NZ LYS A 36 -0.926 1.746 15.342 1.00 0.00 N ATOM 0 H LYS A 36 -0.521 2.002 9.689 1.00 0.00 H new ATOM 0 HA LYS A 36 2.180 2.992 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.325 3.560 12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.142 4.059 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.164 1.978 11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.005 1.527 12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.170 4.270 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.253 2.929 13.371 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.474 3.195 14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.989 3.862 15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.763 1.782 16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.922 1.511 15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.315 1.018 14.920 1.00 0.00 H new ATOM 673 N LYS A 37 1.335 -0.011 10.926 1.00 0.00 N ATOM 674 CA LYS A 37 1.836 -1.264 11.486 1.00 0.00 C ATOM 675 C LYS A 37 2.507 -2.125 10.420 1.00 0.00 C ATOM 676 O LYS A 37 3.348 -2.969 10.732 1.00 0.00 O ATOM 677 CB LYS A 37 0.701 -2.046 12.156 1.00 0.00 C ATOM 678 CG LYS A 37 -0.262 -2.698 11.175 1.00 0.00 C ATOM 679 CD LYS A 37 -1.250 -3.613 11.885 1.00 0.00 C ATOM 680 CE LYS A 37 -2.675 -3.365 11.419 1.00 0.00 C ATOM 681 NZ LYS A 37 -3.097 -4.339 10.375 1.00 0.00 N ATOM 0 H LYS A 37 0.488 -0.102 10.365 1.00 0.00 H new ATOM 0 HA LYS A 37 2.585 -1.011 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.132 -2.818 12.794 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.142 -1.372 12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.806 -1.926 10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.301 -3.271 10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.982 -4.653 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.186 -3.454 12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.352 -3.431 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.756 -2.352 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.127 -4.282 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.620 -4.115 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.839 -5.301 10.674 1.00 0.00 H new ATOM 695 N CYS A 38 2.130 -1.916 9.164 1.00 0.00 N ATOM 696 CA CYS A 38 2.699 -2.686 8.068 1.00 0.00 C ATOM 697 C CYS A 38 3.819 -1.916 7.375 1.00 0.00 C ATOM 698 O CYS A 38 4.740 -2.516 6.821 1.00 0.00 O ATOM 699 CB CYS A 38 1.609 -3.065 7.067 1.00 0.00 C ATOM 700 SG CYS A 38 0.300 -4.090 7.777 1.00 0.00 S ATOM 0 H CYS A 38 1.436 -1.223 8.882 1.00 0.00 H new ATOM 0 HA CYS A 38 3.129 -3.598 8.482 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.167 -2.155 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.064 -3.598 6.232 1.00 0.00 H new ATOM 0 HG CYS A 38 0.786 -4.802 8.750 1.00 0.00 H new ATOM 706 N GLY A 39 3.749 -0.588 7.419 1.00 0.00 N ATOM 707 CA GLY A 39 4.787 0.219 6.799 1.00 0.00 C ATOM 708 C GLY A 39 4.293 1.061 5.639 1.00 0.00 C ATOM 709 O GLY A 39 5.079 1.450 4.775 1.00 0.00 O ATOM 0 H GLY A 39 3.000 -0.060 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.224 0.875 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.583 -0.437 6.447 1.00 0.00 H new ATOM 713 N ILE A 40 3.000 1.361 5.621 1.00 0.00 N ATOM 714 CA ILE A 40 2.431 2.181 4.561 1.00 0.00 C ATOM 715 C ILE A 40 1.985 3.529 5.122 1.00 0.00 C ATOM 716 O ILE A 40 2.382 3.909 6.225 1.00 0.00 O ATOM 717 CB ILE A 40 1.235 1.491 3.859 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.069 0.042 4.322 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.412 1.535 2.347 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.195 -0.605 3.798 1.00 0.00 C ATOM 0 H ILE A 40 2.330 1.050 6.324 1.00 0.00 H new ATOM 0 HA ILE A 40 3.213 2.327 3.815 1.00 0.00 H new ATOM 0 HB ILE A 40 0.333 2.038 4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.931 -0.539 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.061 0.013 5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.564 1.046 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.467 2.572 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.331 1.018 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.256 -1.631 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.062 -0.045 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.178 -0.606 2.708 1.00 0.00 H new ATOM 732 N THR A 41 1.163 4.252 4.371 1.00 0.00 N ATOM 733 CA THR A 41 0.678 5.554 4.817 1.00 0.00 C ATOM 734 C THR A 41 -0.732 5.821 4.295 1.00 0.00 C ATOM 735 O THR A 41 -1.153 5.242 3.294 1.00 0.00 O ATOM 736 CB THR A 41 1.629 6.664 4.357 1.00 0.00 C ATOM 737 OG1 THR A 41 2.812 6.117 3.804 1.00 0.00 O ATOM 738 CG2 THR A 41 2.036 7.601 5.474 1.00 0.00 C ATOM 0 H THR A 41 0.819 3.962 3.455 1.00 0.00 H new ATOM 0 HA THR A 41 0.644 5.546 5.906 1.00 0.00 H new ATOM 0 HB THR A 41 1.072 7.230 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.404 6.843 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.709 8.363 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.149 8.079 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.543 7.036 6.256 1.00 0.00 H new ATOM 746 N PRO A 42 -1.482 6.710 4.970 1.00 0.00 N ATOM 747 CA PRO A 42 -2.851 7.055 4.569 1.00 0.00 C ATOM 748 C PRO A 42 -2.943 7.440 3.096 1.00 0.00 C ATOM 749 O PRO A 42 -4.004 7.333 2.483 1.00 0.00 O ATOM 750 CB PRO A 42 -3.189 8.253 5.459 1.00 0.00 C ATOM 751 CG PRO A 42 -2.326 8.087 6.661 1.00 0.00 C ATOM 752 CD PRO A 42 -1.055 7.449 6.173 1.00 0.00 C ATOM 0 HA PRO A 42 -3.535 6.215 4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.983 9.195 4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.245 8.261 5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.124 9.049 7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.814 7.462 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.296 8.195 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.626 6.783 6.922 1.00 0.00 H new ATOM 760 N LEU A 43 -1.823 7.888 2.535 1.00 0.00 N ATOM 761 CA LEU A 43 -1.774 8.287 1.133 1.00 0.00 C ATOM 762 C LEU A 43 -1.373 7.109 0.249 1.00 0.00 C ATOM 763 O LEU A 43 -1.756 7.031 -0.921 1.00 0.00 O ATOM 764 CB LEU A 43 -0.794 9.454 0.953 1.00 0.00 C ATOM 765 CG LEU A 43 0.645 9.066 0.601 1.00 0.00 C ATOM 766 CD1 LEU A 43 0.813 8.948 -0.906 1.00 0.00 C ATOM 767 CD2 LEU A 43 1.624 10.081 1.169 1.00 0.00 C ATOM 0 H LEU A 43 -0.937 7.984 3.031 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.769 8.613 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.176 10.108 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.779 10.036 1.874 1.00 0.00 H new ATOM 0 HG LEU A 43 0.858 8.095 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.842 8.672 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.137 8.183 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.581 9.905 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.642 9.790 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.411 11.065 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.522 10.117 2.254 1.00 0.00 H new ATOM 779 N GLN A 44 -0.608 6.185 0.820 1.00 0.00 N ATOM 780 CA GLN A 44 -0.173 5.010 0.085 1.00 0.00 C ATOM 781 C GLN A 44 -1.286 3.979 0.072 1.00 0.00 C ATOM 782 O GLN A 44 -1.743 3.559 -0.979 1.00 0.00 O ATOM 783 CB GLN A 44 1.088 4.407 0.706 1.00 0.00 C ATOM 784 CG GLN A 44 2.059 5.441 1.252 1.00 0.00 C ATOM 785 CD GLN A 44 2.631 6.334 0.168 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.660 5.964 -1.006 1.00 0.00 O ATOM 787 NE2 GLN A 44 3.090 7.517 0.558 1.00 0.00 N ATOM 0 H GLN A 44 -0.279 6.229 1.785 1.00 0.00 H new ATOM 0 HA GLN A 44 0.063 5.309 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.798 3.734 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.599 3.804 -0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.549 6.057 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.874 4.932 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.046 7.782 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.487 8.161 -0.126 1.00 0.00 H new ATOM 796 N VAL A 45 -1.724 3.594 1.260 1.00 0.00 N ATOM 797 CA VAL A 45 -2.794 2.612 1.414 1.00 0.00 C ATOM 798 C VAL A 45 -3.861 2.750 0.331 1.00 0.00 C ATOM 799 O VAL A 45 -4.405 1.760 -0.142 1.00 0.00 O ATOM 800 CB VAL A 45 -3.458 2.759 2.785 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.485 2.349 3.870 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.929 4.190 2.997 1.00 0.00 C ATOM 0 H VAL A 45 -1.353 3.949 2.142 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.335 1.628 1.321 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.330 2.107 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.961 2.455 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.190 1.310 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.602 2.986 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.399 4.277 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.076 4.866 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.651 4.454 2.224 1.00 0.00 H new ATOM 812 N ARG A 46 -4.149 3.978 -0.068 1.00 0.00 N ATOM 813 CA ARG A 46 -5.147 4.212 -1.103 1.00 0.00 C ATOM 814 C ARG A 46 -4.571 3.926 -2.487 1.00 0.00 C ATOM 815 O ARG A 46 -5.095 3.093 -3.222 1.00 0.00 O ATOM 816 CB ARG A 46 -5.689 5.643 -1.037 1.00 0.00 C ATOM 817 CG ARG A 46 -4.682 6.675 -0.559 1.00 0.00 C ATOM 818 CD ARG A 46 -4.911 8.029 -1.213 1.00 0.00 C ATOM 819 NE ARG A 46 -6.330 8.375 -1.278 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.060 8.712 -0.218 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.510 8.755 0.989 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.345 9.009 -0.366 1.00 0.00 N ATOM 0 H ARG A 46 -3.712 4.821 0.303 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.975 3.527 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.043 5.930 -2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.553 5.661 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.752 6.777 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.673 6.329 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.376 8.797 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.494 8.020 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.787 8.357 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.522 8.529 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.075 9.014 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.772 8.979 -1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.906 9.267 0.446 1.00 0.00 H new ATOM 836 N VAL A 47 -3.487 4.613 -2.839 1.00 0.00 N ATOM 837 CA VAL A 47 -2.850 4.417 -4.140 1.00 0.00 C ATOM 838 C VAL A 47 -2.203 3.037 -4.243 1.00 0.00 C ATOM 839 O VAL A 47 -2.336 2.344 -5.251 1.00 0.00 O ATOM 840 CB VAL A 47 -1.768 5.483 -4.394 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.364 6.878 -4.291 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.615 5.309 -3.415 1.00 0.00 C ATOM 0 H VAL A 47 -3.033 5.307 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.637 4.505 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.379 5.355 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.587 7.620 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.155 6.991 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.778 7.024 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.142 6.069 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.985 5.414 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.176 4.319 -3.542 1.00 0.00 H new ATOM 852 N TRP A 48 -1.497 2.660 -3.187 1.00 0.00 N ATOM 853 CA TRP A 48 -0.807 1.385 -3.119 1.00 0.00 C ATOM 854 C TRP A 48 -1.794 0.222 -3.233 1.00 0.00 C ATOM 855 O TRP A 48 -1.632 -0.652 -4.086 1.00 0.00 O ATOM 856 CB TRP A 48 -0.006 1.311 -1.814 1.00 0.00 C ATOM 857 CG TRP A 48 1.464 1.100 -2.019 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.444 2.050 -1.962 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.122 -0.136 -2.306 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.671 1.476 -2.193 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.500 0.135 -2.407 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.680 -1.446 -2.486 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.437 -0.860 -2.678 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.608 -2.432 -2.754 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.973 -2.137 -2.848 1.00 0.00 C ATOM 0 H TRP A 48 -1.388 3.234 -2.351 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.118 1.304 -3.960 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.157 2.233 -1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.399 0.498 -1.203 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.279 3.099 -1.764 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.564 1.969 -2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.629 -1.685 -2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.490 -0.632 -2.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.275 -3.450 -2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.673 -2.932 -3.059 1.00 0.00 H new ATOM 876 N PHE A 49 -2.826 0.219 -2.388 1.00 0.00 N ATOM 877 CA PHE A 49 -3.833 -0.837 -2.431 1.00 0.00 C ATOM 878 C PHE A 49 -4.625 -0.768 -3.733 1.00 0.00 C ATOM 879 O PHE A 49 -5.114 -1.779 -4.221 1.00 0.00 O ATOM 880 CB PHE A 49 -4.800 -0.733 -1.247 1.00 0.00 C ATOM 881 CG PHE A 49 -4.163 -0.924 0.106 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.982 -1.637 0.251 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.757 -0.386 1.238 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.408 -1.805 1.497 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.186 -0.551 2.484 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.011 -1.260 2.614 1.00 0.00 C ATOM 0 H PHE A 49 -2.984 0.929 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.308 -1.791 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.280 0.245 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.586 -1.477 -1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.506 -2.065 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.678 0.169 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.488 -2.362 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.659 -0.125 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.562 -1.389 3.588 1.00 0.00 H new ATOM 896 N ILE A 50 -4.752 0.433 -4.296 1.00 0.00 N ATOM 897 CA ILE A 50 -5.489 0.612 -5.545 1.00 0.00 C ATOM 898 C ILE A 50 -4.935 -0.309 -6.632 1.00 0.00 C ATOM 899 O ILE A 50 -5.675 -1.071 -7.250 1.00 0.00 O ATOM 900 CB ILE A 50 -5.447 2.088 -6.017 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.672 2.843 -5.493 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.374 2.188 -7.538 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.973 2.404 -6.130 1.00 0.00 C ATOM 0 H ILE A 50 -4.357 1.291 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.530 0.348 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.544 2.544 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.740 2.703 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.533 3.910 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.346 3.237 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.473 1.687 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.251 1.711 -7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.797 2.982 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.925 2.569 -7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.135 1.344 -5.933 1.00 0.00 H new ATOM 915 N ASN A 51 -3.625 -0.242 -6.845 1.00 0.00 N ATOM 916 CA ASN A 51 -2.968 -1.077 -7.843 1.00 0.00 C ATOM 917 C ASN A 51 -2.785 -2.492 -7.306 1.00 0.00 C ATOM 918 O ASN A 51 -2.772 -3.461 -8.066 1.00 0.00 O ATOM 919 CB ASN A 51 -1.612 -0.483 -8.226 1.00 0.00 C ATOM 920 CG ASN A 51 -1.721 0.954 -8.696 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.675 1.324 -9.381 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.742 1.772 -8.329 1.00 0.00 N ATOM 0 H ASN A 51 -2.997 0.383 -6.339 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.597 -1.114 -8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.942 -0.532 -7.368 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.164 -1.087 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.761 2.751 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.029 1.422 -7.761 1.00 0.00 H new ATOM 929 N LYS A 52 -2.653 -2.599 -5.988 1.00 0.00 N ATOM 930 CA LYS A 52 -2.481 -3.888 -5.333 1.00 0.00 C ATOM 931 C LYS A 52 -3.823 -4.434 -4.850 1.00 0.00 C ATOM 932 O LYS A 52 -3.875 -5.304 -3.981 1.00 0.00 O ATOM 933 CB LYS A 52 -1.521 -3.746 -4.150 1.00 0.00 C ATOM 934 CG LYS A 52 -0.073 -3.551 -4.564 1.00 0.00 C ATOM 935 CD LYS A 52 0.536 -4.843 -5.083 1.00 0.00 C ATOM 936 CE LYS A 52 2.056 -4.778 -5.094 1.00 0.00 C ATOM 937 NZ LYS A 52 2.643 -5.676 -6.128 1.00 0.00 N ATOM 0 H LYS A 52 -2.662 -1.803 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.064 -4.589 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.833 -2.899 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.595 -4.635 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.014 -2.784 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.505 -3.191 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.211 -5.676 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.172 -5.039 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.374 -3.752 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.438 -5.056 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.680 -5.603 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.361 -6.658 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.299 -5.395 -7.068 1.00 0.00 H new ATOM 951 N ARG A 53 -4.906 -3.907 -5.414 1.00 0.00 N ATOM 952 CA ARG A 53 -6.250 -4.325 -5.042 1.00 0.00 C ATOM 953 C ARG A 53 -7.299 -3.593 -5.868 1.00 0.00 C ATOM 954 O ARG A 53 -8.389 -3.308 -5.375 1.00 0.00 O ATOM 955 CB ARG A 53 -6.507 -4.055 -3.560 1.00 0.00 C ATOM 956 CG ARG A 53 -7.718 -4.798 -3.026 1.00 0.00 C ATOM 957 CD ARG A 53 -8.473 -3.974 -1.996 1.00 0.00 C ATOM 958 NE ARG A 53 -9.314 -2.954 -2.621 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.140 -1.641 -2.469 1.00 0.00 C ATOM 960 NH1 ARG A 53 -8.154 -1.168 -1.717 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.960 -0.795 -3.079 1.00 0.00 N ATOM 0 H ARG A 53 -4.876 -3.186 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.325 -5.395 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.627 -4.344 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.648 -2.985 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.384 -5.049 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.399 -5.739 -2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.093 -4.633 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.762 -3.495 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.084 -3.268 -3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.518 -1.812 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.033 -0.161 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.719 -1.150 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.832 0.211 -2.966 1.00 0.00 H new ATOM 975 N MET A 54 -6.969 -3.284 -7.118 1.00 0.00 N ATOM 976 CA MET A 54 -7.897 -2.581 -7.998 1.00 0.00 C ATOM 977 C MET A 54 -9.192 -3.374 -8.162 1.00 0.00 C ATOM 978 O MET A 54 -9.414 -4.021 -9.185 1.00 0.00 O ATOM 979 CB MET A 54 -7.248 -2.328 -9.362 1.00 0.00 C ATOM 980 CG MET A 54 -7.242 -0.863 -9.768 1.00 0.00 C ATOM 981 SD MET A 54 -6.684 -0.615 -11.464 1.00 0.00 S ATOM 982 CE MET A 54 -5.122 0.219 -11.187 1.00 0.00 C ATOM 0 H MET A 54 -6.070 -3.508 -7.544 1.00 0.00 H new ATOM 0 HA MET A 54 -8.140 -1.620 -7.544 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.222 -2.695 -9.341 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.778 -2.905 -10.120 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.247 -0.455 -9.657 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.595 -0.305 -9.091 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.782 0.674 -12.118 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.252 0.993 -10.431 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.380 -0.502 -10.844 1.00 0.00 H new ATOM 992 N ARG A 55 -10.039 -3.322 -7.139 1.00 0.00 N ATOM 993 CA ARG A 55 -11.307 -4.035 -7.154 1.00 0.00 C ATOM 994 C ARG A 55 -12.207 -3.532 -8.278 1.00 0.00 C ATOM 995 O ARG A 55 -12.911 -4.312 -8.919 1.00 0.00 O ATOM 996 CB ARG A 55 -12.018 -3.872 -5.811 1.00 0.00 C ATOM 997 CG ARG A 55 -11.436 -4.740 -4.706 1.00 0.00 C ATOM 998 CD ARG A 55 -12.022 -6.143 -4.730 1.00 0.00 C ATOM 999 NE ARG A 55 -13.478 -6.129 -4.848 1.00 0.00 N ATOM 1000 CZ ARG A 55 -14.299 -5.784 -3.859 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -13.813 -5.423 -2.678 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -15.611 -5.800 -4.051 1.00 0.00 N ATOM 0 H ARG A 55 -9.867 -2.790 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.098 -5.091 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.966 -2.827 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.073 -4.116 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.353 -4.795 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.633 -4.279 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.596 -6.699 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.738 -6.670 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.890 -6.400 -5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.805 -5.409 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.448 -5.160 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.991 -6.077 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.241 -5.536 -3.293 1.00 0.00 H new ATOM 1016 N SER A 56 -12.185 -2.222 -8.506 1.00 0.00 N ATOM 1017 CA SER A 56 -13.006 -1.618 -9.548 1.00 0.00 C ATOM 1018 C SER A 56 -12.180 -0.697 -10.441 1.00 0.00 C ATOM 1019 O SER A 56 -12.154 -0.859 -11.661 1.00 0.00 O ATOM 1020 CB SER A 56 -14.166 -0.838 -8.921 1.00 0.00 C ATOM 1021 OG SER A 56 -15.414 -1.416 -9.264 1.00 0.00 O ATOM 0 H SER A 56 -11.609 -1.561 -7.985 1.00 0.00 H new ATOM 0 HA SER A 56 -13.405 -2.421 -10.168 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.054 -0.823 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.136 0.198 -9.259 1.00 0.00 H new ATOM 0 HG SER A 56 -16.138 -0.901 -8.850 1.00 0.00 H new ATOM 1027 N LYS A 57 -11.508 0.273 -9.826 1.00 0.00 N ATOM 1028 CA LYS A 57 -10.684 1.223 -10.568 1.00 0.00 C ATOM 1029 C LYS A 57 -9.668 0.500 -11.450 1.00 0.00 C ATOM 1030 O LYS A 57 -8.921 1.190 -12.176 1.00 0.00 O ATOM 1031 CB LYS A 57 -9.963 2.164 -9.602 1.00 0.00 C ATOM 1032 CG LYS A 57 -10.639 3.517 -9.453 1.00 0.00 C ATOM 1033 CD LYS A 57 -12.086 3.373 -9.005 1.00 0.00 C ATOM 1034 CE LYS A 57 -13.017 4.242 -9.836 1.00 0.00 C ATOM 1035 NZ LYS A 57 -13.686 3.464 -10.915 1.00 0.00 N ATOM 1036 OXT LYS A 57 -9.628 -0.747 -11.406 1.00 0.00 O ATOM 0 H LYS A 57 -11.518 0.422 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.341 1.807 -11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.901 1.688 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.941 2.314 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.091 4.120 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.603 4.049 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.391 2.330 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.171 3.648 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.772 4.688 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.451 5.062 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.398 4.060 -11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.978 3.159 -11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.149 2.628 -10.504 1.00 0.00 H new TER 1050 LYS A 57