USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= 0.275 K(o=2,f=-1.8!) USER MOD Set 1.2: B 3 U O2' : rot -44:sc= 1.7 USER MOD Set 2.1: A 59 ASN : amide:sc= -1.24 K(o=-1.5,f=-7!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.229 K(o=-1.5,f=-4.4) USER MOD Set 3.1: A 6 THR OG1 : rot 88:sc= 2.25 USER MOD Set 3.2: A 47 SER OG : rot -130:sc= 1.26 USER MOD Set 3.3: A 49 HIS : no HD1:sc= -2.13 K(o=1.4,f=0.57) USER MOD Set 4.1: A 25 THR OG1 : rot -16:sc= 1.03 USER MOD Set 4.2: A 50 LYS NZ :NH3+ 152:sc= 0.234 (180deg=0) USER MOD Set 5.1: A 16 SER OG : rot 180:sc= -0.188 USER MOD Set 5.2: A 56 GLN : amide:sc= 1.66 K(o=1.5,f=-2.7!) USER MOD Set 6.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00637 USER MOD Single : A 4 ASN : amide:sc= 0.693 K(o=0.69,f=-0.53) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -139:sc= -0.248 (180deg=-1.02) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.4!) USER MOD Single : A 24 ASN : amide:sc= -0.824 X(o=-0.82,f=-0.7) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.931 (180deg=0.926) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc=-0.00714 (180deg=-0.184) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -153:sc= 0.71 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 27:sc= -0.995 USER MOD Single : A 57 TYR OH : rot -21:sc= -0.692 USER MOD Single : A 74 MET CE :methyl -176:sc= -1.18 (180deg=-1.23) USER MOD Single : A 78 GLN : amide:sc= -0.82 K(o=-0.82,f=-0.056) USER MOD Single : A 83 ASN : amide:sc= 1.28 K(o=1.3,f=-1.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc=-0.00125 K(o=-0.0013,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -145:sc= 1.08 (180deg=0.371) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -164:sc= -0.0211 (180deg=-0.333) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -140:sc= -0.231 USER MOD Single : B 1 U O5' : rot 180:sc= -0.0601 USER MOD Single : B 2 U O2' : rot 20:sc= 0.139 USER MOD Single : B 4 U O2' : rot 144:sc= 0.343 USER MOD Single : B 5 C O2' : rot 148:sc= 0.234 USER MOD Single : B 5 C O3' : rot 129:sc= 0.0825 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.865 8.307 -5.525 1.00 0.00 N ATOM 2 CA ALA A 2 9.678 9.026 -5.022 1.00 0.00 C ATOM 3 C ALA A 2 9.950 9.629 -3.644 1.00 0.00 C ATOM 4 O ALA A 2 10.991 9.375 -3.044 1.00 0.00 O ATOM 5 CB ALA A 2 8.466 8.094 -4.976 1.00 0.00 C ATOM 0 HA ALA A 2 9.457 9.843 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.600 8.641 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.255 7.721 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.678 7.254 -4.314 1.00 0.00 H new ATOM 13 N SER A 3 9.011 10.434 -3.140 1.00 0.00 N ATOM 14 CA SER A 3 9.137 11.073 -1.834 1.00 0.00 C ATOM 15 C SER A 3 9.109 10.036 -0.713 1.00 0.00 C ATOM 16 O SER A 3 8.621 8.925 -0.900 1.00 0.00 O ATOM 17 CB SER A 3 8.005 12.087 -1.644 1.00 0.00 C ATOM 18 OG SER A 3 8.158 12.758 -0.409 1.00 0.00 O ATOM 0 H SER A 3 8.144 10.659 -3.628 1.00 0.00 H new ATOM 0 HA SER A 3 10.096 11.590 -1.792 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.010 12.808 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.041 11.578 -1.674 1.00 0.00 H new ATOM 0 HG SER A 3 7.431 13.406 -0.296 1.00 0.00 H new ATOM 24 N ASN A 4 9.637 10.401 0.458 1.00 0.00 N ATOM 25 CA ASN A 4 9.643 9.536 1.627 1.00 0.00 C ATOM 26 C ASN A 4 8.374 9.724 2.462 1.00 0.00 C ATOM 27 O ASN A 4 8.208 9.066 3.487 1.00 0.00 O ATOM 28 CB ASN A 4 10.912 9.813 2.440 1.00 0.00 C ATOM 29 CG ASN A 4 10.992 11.267 2.882 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.545 12.103 2.173 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.447 11.583 4.052 1.00 0.00 N ATOM 0 H ASN A 4 10.073 11.310 0.616 1.00 0.00 H new ATOM 0 HA ASN A 4 9.649 8.493 1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.931 9.165 3.316 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.789 9.566 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.480 12.546 4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.995 10.863 4.615 1.00 0.00 H new ATOM 38 N VAL A 5 7.481 10.622 2.031 1.00 0.00 N ATOM 39 CA VAL A 5 6.266 10.939 2.768 1.00 0.00 C ATOM 40 C VAL A 5 5.091 10.102 2.268 1.00 0.00 C ATOM 41 O VAL A 5 4.873 9.984 1.064 1.00 0.00 O ATOM 42 CB VAL A 5 5.983 12.443 2.681 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.696 12.808 3.419 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.140 13.211 3.324 1.00 0.00 C ATOM 0 H VAL A 5 7.586 11.145 1.162 1.00 0.00 H new ATOM 0 HA VAL A 5 6.407 10.685 3.819 1.00 0.00 H new ATOM 0 HB VAL A 5 5.875 12.707 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.523 13.881 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.858 12.271 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.788 12.533 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.944 14.282 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.236 12.917 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.066 12.982 2.797 1.00 0.00 H new ATOM 54 N THR A 6 4.340 9.523 3.210 1.00 0.00 N ATOM 55 CA THR A 6 3.183 8.688 2.915 1.00 0.00 C ATOM 56 C THR A 6 2.101 8.822 3.987 1.00 0.00 C ATOM 57 O THR A 6 1.148 8.049 3.981 1.00 0.00 O ATOM 58 CB THR A 6 3.594 7.216 2.795 1.00 0.00 C ATOM 59 OG1 THR A 6 4.228 6.796 3.982 1.00 0.00 O ATOM 60 CG2 THR A 6 4.554 6.976 1.632 1.00 0.00 C ATOM 0 H THR A 6 4.525 9.625 4.208 1.00 0.00 H new ATOM 0 HA THR A 6 2.775 9.033 1.965 1.00 0.00 H new ATOM 0 HB THR A 6 2.682 6.647 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.555 6.466 4.613 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.816 5.919 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.075 7.270 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.458 7.568 1.778 1.00 0.00 H new ATOM 68 N ASN A 7 2.222 9.780 4.912 1.00 0.00 N ATOM 69 CA ASN A 7 1.247 9.925 5.988 1.00 0.00 C ATOM 70 C ASN A 7 0.612 11.314 5.984 1.00 0.00 C ATOM 71 O ASN A 7 1.252 12.304 6.340 1.00 0.00 O ATOM 72 CB ASN A 7 1.914 9.616 7.331 1.00 0.00 C ATOM 73 CG ASN A 7 0.911 9.595 8.476 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.270 9.879 8.301 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.381 9.256 9.670 1.00 0.00 N ATOM 0 H ASN A 7 2.982 10.460 4.934 1.00 0.00 H new ATOM 0 HA ASN A 7 0.439 9.211 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.417 8.651 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.681 10.363 7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.755 9.226 10.475 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.368 9.025 9.783 1.00 0.00 H new ATOM 82 N LYS A 8 -0.659 11.363 5.573 1.00 0.00 N ATOM 83 CA LYS A 8 -1.521 12.542 5.597 1.00 0.00 C ATOM 84 C LYS A 8 -2.962 12.069 5.782 1.00 0.00 C ATOM 85 O LYS A 8 -3.240 10.886 5.590 1.00 0.00 O ATOM 86 CB LYS A 8 -1.389 13.348 4.300 1.00 0.00 C ATOM 87 CG LYS A 8 0.015 13.944 4.153 1.00 0.00 C ATOM 88 CD LYS A 8 0.050 14.975 3.025 1.00 0.00 C ATOM 89 CE LYS A 8 -0.314 14.338 1.682 1.00 0.00 C ATOM 90 NZ LYS A 8 -0.311 15.341 0.601 1.00 0.00 N ATOM 0 H LYS A 8 -1.134 10.542 5.198 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.226 13.196 6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.604 12.705 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.129 14.149 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.316 14.413 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.733 13.150 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.645 15.785 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.044 15.417 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.396 13.544 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.299 13.875 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.561 14.883 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.006 16.085 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.636 15.764 0.523 1.00 0.00 H new ATOM 104 N THR A 9 -3.879 12.968 6.145 1.00 0.00 N ATOM 105 CA THR A 9 -5.268 12.592 6.402 1.00 0.00 C ATOM 106 C THR A 9 -6.252 13.388 5.551 1.00 0.00 C ATOM 107 O THR A 9 -7.426 13.491 5.898 1.00 0.00 O ATOM 108 CB THR A 9 -5.595 12.700 7.894 1.00 0.00 C ATOM 109 OG1 THR A 9 -5.437 14.031 8.332 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.671 11.798 8.716 1.00 0.00 C ATOM 0 H THR A 9 -3.683 13.962 6.267 1.00 0.00 H new ATOM 0 HA THR A 9 -5.380 11.549 6.107 1.00 0.00 H new ATOM 0 HB THR A 9 -6.629 12.384 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.650 14.089 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.920 11.889 9.773 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.799 10.762 8.401 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.635 12.099 8.560 1.00 0.00 H new ATOM 118 N ASP A 10 -5.785 13.957 4.432 1.00 0.00 N ATOM 119 CA ASP A 10 -6.650 14.701 3.525 1.00 0.00 C ATOM 120 C ASP A 10 -7.684 13.767 2.896 1.00 0.00 C ATOM 121 O ASP A 10 -7.407 12.581 2.709 1.00 0.00 O ATOM 122 CB ASP A 10 -5.805 15.395 2.456 1.00 0.00 C ATOM 123 CG ASP A 10 -4.840 16.394 3.079 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.301 17.503 3.428 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.644 16.044 3.202 1.00 0.00 O ATOM 0 H ASP A 10 -4.809 13.913 4.138 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.188 15.466 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.246 14.650 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.457 15.908 1.749 1.00 0.00 H new ATOM 130 N PRO A 11 -8.875 14.284 2.565 1.00 0.00 N ATOM 131 CA PRO A 11 -10.001 13.496 2.081 1.00 0.00 C ATOM 132 C PRO A 11 -9.761 12.885 0.698 1.00 0.00 C ATOM 133 O PRO A 11 -10.648 12.222 0.164 1.00 0.00 O ATOM 134 CB PRO A 11 -11.188 14.462 2.072 1.00 0.00 C ATOM 135 CG PRO A 11 -10.526 15.820 1.850 1.00 0.00 C ATOM 136 CD PRO A 11 -9.234 15.686 2.653 1.00 0.00 C ATOM 0 HA PRO A 11 -10.173 12.634 2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.896 14.224 1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.740 14.431 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.331 16.010 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.147 16.639 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.448 16.320 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.381 15.990 3.689 1.00 0.00 H new ATOM 144 N ARG A 12 -8.578 13.093 0.109 1.00 0.00 N ATOM 145 CA ARG A 12 -8.238 12.505 -1.180 1.00 0.00 C ATOM 146 C ARG A 12 -6.844 11.888 -1.141 1.00 0.00 C ATOM 147 O ARG A 12 -6.594 10.894 -1.817 1.00 0.00 O ATOM 148 CB ARG A 12 -8.341 13.585 -2.264 1.00 0.00 C ATOM 149 CG ARG A 12 -9.079 13.068 -3.500 1.00 0.00 C ATOM 150 CD ARG A 12 -8.292 11.983 -4.235 1.00 0.00 C ATOM 151 NE ARG A 12 -9.034 11.501 -5.407 1.00 0.00 N ATOM 152 CZ ARG A 12 -9.930 10.513 -5.370 1.00 0.00 C ATOM 153 NH1 ARG A 12 -10.229 9.905 -4.223 1.00 0.00 N ATOM 154 NH2 ARG A 12 -10.537 10.122 -6.486 1.00 0.00 N ATOM 0 H ARG A 12 -7.839 13.669 0.512 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.938 11.703 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.863 14.455 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.341 13.915 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.049 12.671 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.270 13.898 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.326 12.378 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.092 11.152 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.853 11.949 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.771 10.193 -3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.916 9.151 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.318 10.577 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.222 9.367 -6.456 1.00 0.00 H new ATOM 168 N SER A 13 -5.932 12.458 -0.349 1.00 0.00 N ATOM 169 CA SER A 13 -4.563 11.967 -0.288 1.00 0.00 C ATOM 170 C SER A 13 -4.462 10.672 0.508 1.00 0.00 C ATOM 171 O SER A 13 -3.507 9.921 0.325 1.00 0.00 O ATOM 172 CB SER A 13 -3.646 13.028 0.320 1.00 0.00 C ATOM 173 OG SER A 13 -3.784 14.255 -0.367 1.00 0.00 O ATOM 0 H SER A 13 -6.121 13.258 0.255 1.00 0.00 H new ATOM 0 HA SER A 13 -4.244 11.756 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.888 13.165 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.610 12.692 0.272 1.00 0.00 H new ATOM 0 HG SER A 13 -3.192 14.924 0.036 1.00 0.00 H new ATOM 179 N MET A 14 -5.425 10.387 1.392 1.00 0.00 N ATOM 180 CA MET A 14 -5.411 9.120 2.112 1.00 0.00 C ATOM 181 C MET A 14 -6.201 8.036 1.370 1.00 0.00 C ATOM 182 O MET A 14 -6.272 6.902 1.832 1.00 0.00 O ATOM 183 CB MET A 14 -5.854 9.318 3.562 1.00 0.00 C ATOM 184 CG MET A 14 -7.370 9.325 3.742 1.00 0.00 C ATOM 185 SD MET A 14 -7.890 9.377 5.476 1.00 0.00 S ATOM 186 CE MET A 14 -7.140 7.841 6.082 1.00 0.00 C ATOM 0 H MET A 14 -6.205 11.004 1.619 1.00 0.00 H new ATOM 0 HA MET A 14 -4.385 8.753 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.427 8.524 4.175 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.448 10.260 3.932 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.786 10.187 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.788 8.435 3.272 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.835 7.337 6.753 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.913 7.190 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.221 8.072 6.620 1.00 0.00 H new ATOM 196 N ASN A 15 -6.790 8.385 0.220 1.00 0.00 N ATOM 197 CA ASN A 15 -7.521 7.439 -0.611 1.00 0.00 C ATOM 198 C ASN A 15 -6.714 7.084 -1.863 1.00 0.00 C ATOM 199 O ASN A 15 -6.990 6.078 -2.509 1.00 0.00 O ATOM 200 CB ASN A 15 -8.892 8.019 -0.972 1.00 0.00 C ATOM 201 CG ASN A 15 -9.789 8.127 0.256 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.537 7.207 0.562 1.00 0.00 O ATOM 203 ND2 ASN A 15 -9.722 9.251 0.963 1.00 0.00 N ATOM 0 H ASN A 15 -6.769 9.333 -0.155 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.676 6.516 -0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.766 9.004 -1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.371 7.387 -1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.306 9.368 1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.087 9.996 0.677 1.00 0.00 H new ATOM 210 N SER A 16 -5.717 7.905 -2.206 1.00 0.00 N ATOM 211 CA SER A 16 -4.745 7.604 -3.245 1.00 0.00 C ATOM 212 C SER A 16 -3.531 6.874 -2.664 1.00 0.00 C ATOM 213 O SER A 16 -2.508 6.741 -3.331 1.00 0.00 O ATOM 214 CB SER A 16 -4.352 8.888 -3.973 1.00 0.00 C ATOM 215 OG SER A 16 -3.808 9.815 -3.056 1.00 0.00 O ATOM 0 H SER A 16 -5.566 8.809 -1.759 1.00 0.00 H new ATOM 0 HA SER A 16 -5.196 6.930 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.624 8.665 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.224 9.319 -4.464 1.00 0.00 H new ATOM 0 HG SER A 16 -3.557 10.635 -3.530 1.00 0.00 H new ATOM 221 N ARG A 17 -3.646 6.402 -1.418 1.00 0.00 N ATOM 222 CA ARG A 17 -2.590 5.701 -0.702 1.00 0.00 C ATOM 223 C ARG A 17 -2.903 4.212 -0.625 1.00 0.00 C ATOM 224 O ARG A 17 -4.070 3.820 -0.678 1.00 0.00 O ATOM 225 CB ARG A 17 -2.512 6.303 0.695 1.00 0.00 C ATOM 226 CG ARG A 17 -1.286 5.824 1.474 1.00 0.00 C ATOM 227 CD ARG A 17 -1.281 6.496 2.841 1.00 0.00 C ATOM 228 NE ARG A 17 -1.356 7.950 2.682 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.019 8.776 3.488 1.00 0.00 C ATOM 230 NH1 ARG A 17 -2.589 8.348 4.610 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.113 10.060 3.162 1.00 0.00 N ATOM 0 H ARG A 17 -4.501 6.503 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.636 5.810 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.487 7.390 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.414 6.044 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.310 4.740 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.374 6.068 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.125 6.142 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.375 6.227 3.385 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.861 8.362 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.524 7.364 4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.091 9.003 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.680 10.401 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.618 10.705 3.770 1.00 0.00 H new ATOM 245 N VAL A 18 -1.869 3.379 -0.499 1.00 0.00 N ATOM 246 CA VAL A 18 -2.041 1.940 -0.360 1.00 0.00 C ATOM 247 C VAL A 18 -1.234 1.423 0.826 1.00 0.00 C ATOM 248 O VAL A 18 -0.060 1.753 0.979 1.00 0.00 O ATOM 249 CB VAL A 18 -1.645 1.219 -1.652 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.802 -0.290 -1.489 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.554 1.686 -2.784 1.00 0.00 C ATOM 0 H VAL A 18 -0.896 3.685 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.094 1.732 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.604 1.449 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.517 -0.788 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.161 -0.637 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.841 -0.525 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.277 1.176 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.590 1.454 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.445 2.762 -2.917 1.00 0.00 H new ATOM 261 N PHE A 19 -1.885 0.610 1.656 1.00 0.00 N ATOM 262 CA PHE A 19 -1.268 -0.057 2.788 1.00 0.00 C ATOM 263 C PHE A 19 -0.796 -1.444 2.352 1.00 0.00 C ATOM 264 O PHE A 19 -1.547 -2.183 1.715 1.00 0.00 O ATOM 265 CB PHE A 19 -2.288 -0.137 3.927 1.00 0.00 C ATOM 266 CG PHE A 19 -1.816 -0.886 5.150 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.585 -0.564 5.739 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.612 -1.900 5.702 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.148 -1.262 6.874 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.173 -2.602 6.834 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.937 -2.288 7.418 1.00 0.00 C ATOM 0 H PHE A 19 -2.877 0.396 1.553 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.400 0.498 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.562 0.876 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.193 -0.615 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.026 0.221 5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.565 -2.141 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.798 -1.010 7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.787 -3.384 7.256 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.593 -2.834 8.284 1.00 0.00 H new ATOM 281 N ILE A 20 0.445 -1.799 2.695 1.00 0.00 N ATOM 282 CA ILE A 20 1.038 -3.079 2.341 1.00 0.00 C ATOM 283 C ILE A 20 1.420 -3.793 3.628 1.00 0.00 C ATOM 284 O ILE A 20 2.558 -3.702 4.088 1.00 0.00 O ATOM 285 CB ILE A 20 2.254 -2.865 1.425 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.827 -2.160 0.133 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.933 -4.197 1.077 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.032 -1.546 -0.578 1.00 0.00 C ATOM 0 H ILE A 20 1.068 -1.195 3.232 1.00 0.00 H new ATOM 0 HA ILE A 20 0.328 -3.694 1.788 1.00 0.00 H new ATOM 0 HB ILE A 20 2.968 -2.243 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.334 -2.872 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.100 -1.381 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.789 -4.011 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.271 -4.683 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.222 -4.844 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.702 -1.052 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.508 -0.817 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.746 -2.331 -0.827 1.00 0.00 H new ATOM 300 N GLY A 21 0.459 -4.506 4.210 1.00 0.00 N ATOM 301 CA GLY A 21 0.674 -5.272 5.425 1.00 0.00 C ATOM 302 C GLY A 21 1.255 -6.643 5.103 1.00 0.00 C ATOM 303 O GLY A 21 1.385 -7.013 3.934 1.00 0.00 O ATOM 0 H GLY A 21 -0.492 -4.566 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.351 -4.731 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.269 -5.388 5.959 1.00 0.00 H new ATOM 307 N ASN A 22 1.604 -7.402 6.147 1.00 0.00 N ATOM 308 CA ASN A 22 2.192 -8.726 6.007 1.00 0.00 C ATOM 309 C ASN A 22 3.348 -8.715 5.005 1.00 0.00 C ATOM 310 O ASN A 22 3.418 -9.567 4.121 1.00 0.00 O ATOM 311 CB ASN A 22 1.113 -9.751 5.637 1.00 0.00 C ATOM 312 CG ASN A 22 1.622 -11.182 5.767 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.556 -11.461 6.515 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.006 -12.105 5.035 1.00 0.00 N ATOM 0 H ASN A 22 1.483 -7.108 7.116 1.00 0.00 H new ATOM 0 HA ASN A 22 2.614 -9.024 6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.245 -9.614 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.780 -9.575 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.306 -13.079 5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.234 -11.839 4.424 1.00 0.00 H new ATOM 321 N LEU A 23 4.261 -7.748 5.136 1.00 0.00 N ATOM 322 CA LEU A 23 5.414 -7.627 4.260 1.00 0.00 C ATOM 323 C LEU A 23 6.639 -8.217 4.955 1.00 0.00 C ATOM 324 O LEU A 23 6.773 -8.105 6.172 1.00 0.00 O ATOM 325 CB LEU A 23 5.581 -6.151 3.887 1.00 0.00 C ATOM 326 CG LEU A 23 6.734 -5.888 2.915 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.566 -6.645 1.603 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.787 -4.396 2.607 1.00 0.00 C ATOM 0 H LEU A 23 4.215 -7.028 5.857 1.00 0.00 H new ATOM 0 HA LEU A 23 5.280 -8.188 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.653 -5.791 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.745 -5.572 4.796 1.00 0.00 H new ATOM 0 HG LEU A 23 7.653 -6.232 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.408 -6.426 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.530 -7.716 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.639 -6.335 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.605 -4.196 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.845 -4.084 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.949 -3.839 3.530 1.00 0.00 H new ATOM 340 N ASN A 24 7.539 -8.847 4.191 1.00 0.00 N ATOM 341 CA ASN A 24 8.717 -9.472 4.775 1.00 0.00 C ATOM 342 C ASN A 24 9.681 -8.420 5.323 1.00 0.00 C ATOM 343 O ASN A 24 10.271 -8.608 6.382 1.00 0.00 O ATOM 344 CB ASN A 24 9.413 -10.326 3.712 1.00 0.00 C ATOM 345 CG ASN A 24 10.493 -11.196 4.337 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.315 -11.750 5.416 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.627 -11.325 3.659 1.00 0.00 N ATOM 0 H ASN A 24 7.470 -8.934 3.177 1.00 0.00 H new ATOM 0 HA ASN A 24 8.405 -10.104 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.680 -10.955 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.854 -9.680 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.383 -11.899 4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.743 -10.850 2.764 1.00 0.00 H new ATOM 354 N THR A 25 9.828 -7.315 4.582 1.00 0.00 N ATOM 355 CA THR A 25 10.661 -6.151 4.894 1.00 0.00 C ATOM 356 C THR A 25 12.134 -6.450 5.164 1.00 0.00 C ATOM 357 O THR A 25 12.907 -5.526 5.416 1.00 0.00 O ATOM 358 CB THR A 25 10.047 -5.317 6.022 1.00 0.00 C ATOM 359 OG1 THR A 25 10.142 -5.984 7.264 1.00 0.00 O ATOM 360 CG2 THR A 25 8.586 -4.995 5.731 1.00 0.00 C ATOM 0 H THR A 25 9.338 -7.205 3.694 1.00 0.00 H new ATOM 0 HA THR A 25 10.668 -5.566 3.974 1.00 0.00 H new ATOM 0 HB THR A 25 10.613 -4.387 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.339 -6.932 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.174 -4.402 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.516 -4.430 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.021 -5.922 5.635 1.00 0.00 H new ATOM 368 N LEU A 26 12.537 -7.723 5.113 1.00 0.00 N ATOM 369 CA LEU A 26 13.923 -8.133 5.259 1.00 0.00 C ATOM 370 C LEU A 26 14.648 -8.166 3.915 1.00 0.00 C ATOM 371 O LEU A 26 15.875 -8.116 3.878 1.00 0.00 O ATOM 372 CB LEU A 26 13.922 -9.523 5.883 1.00 0.00 C ATOM 373 CG LEU A 26 13.445 -9.494 7.336 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.166 -10.926 7.783 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.497 -8.861 8.242 1.00 0.00 C ATOM 0 H LEU A 26 11.896 -8.503 4.967 1.00 0.00 H new ATOM 0 HA LEU A 26 14.451 -7.416 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.277 -10.182 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.927 -9.942 5.839 1.00 0.00 H new ATOM 0 HG LEU A 26 12.538 -8.893 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.824 -10.924 8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.395 -11.362 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.079 -11.516 7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.134 -8.852 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.419 -9.439 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.690 -7.839 7.916 1.00 0.00 H new ATOM 387 N VAL A 27 13.892 -8.252 2.817 1.00 0.00 N ATOM 388 CA VAL A 27 14.457 -8.324 1.471 1.00 0.00 C ATOM 389 C VAL A 27 13.972 -7.166 0.601 1.00 0.00 C ATOM 390 O VAL A 27 14.667 -6.772 -0.335 1.00 0.00 O ATOM 391 CB VAL A 27 14.100 -9.676 0.843 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.695 -9.815 -0.558 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.640 -10.820 1.701 1.00 0.00 C ATOM 0 H VAL A 27 12.872 -8.274 2.838 1.00 0.00 H new ATOM 0 HA VAL A 27 15.541 -8.238 1.539 1.00 0.00 H new ATOM 0 HB VAL A 27 13.013 -9.724 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.423 -10.785 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.307 -9.023 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.781 -9.736 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.379 -11.774 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.724 -10.738 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.203 -10.765 2.698 1.00 0.00 H new ATOM 403 N VAL A 28 12.790 -6.613 0.894 1.00 0.00 N ATOM 404 CA VAL A 28 12.243 -5.498 0.130 1.00 0.00 C ATOM 405 C VAL A 28 12.454 -4.189 0.888 1.00 0.00 C ATOM 406 O VAL A 28 12.420 -4.168 2.117 1.00 0.00 O ATOM 407 CB VAL A 28 10.761 -5.746 -0.172 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.181 -4.614 -1.023 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.596 -7.052 -0.948 1.00 0.00 C ATOM 0 H VAL A 28 12.194 -6.925 1.661 1.00 0.00 H new ATOM 0 HA VAL A 28 12.768 -5.418 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 28 10.234 -5.797 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.128 -4.813 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.276 -3.670 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.725 -4.552 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.540 -7.220 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.147 -6.990 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.984 -7.880 -0.354 1.00 0.00 H new ATOM 419 N LYS A 29 12.671 -3.100 0.144 1.00 0.00 N ATOM 420 CA LYS A 29 12.926 -1.779 0.708 1.00 0.00 C ATOM 421 C LYS A 29 12.106 -0.724 -0.025 1.00 0.00 C ATOM 422 O LYS A 29 11.480 -0.999 -1.044 1.00 0.00 O ATOM 423 CB LYS A 29 14.422 -1.438 0.634 1.00 0.00 C ATOM 424 CG LYS A 29 15.325 -2.447 1.346 1.00 0.00 C ATOM 425 CD LYS A 29 15.794 -3.552 0.396 1.00 0.00 C ATOM 426 CE LYS A 29 16.722 -4.516 1.134 1.00 0.00 C ATOM 427 NZ LYS A 29 17.215 -5.573 0.230 1.00 0.00 N ATOM 0 H LYS A 29 12.674 -3.115 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 29 12.627 -1.789 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.719 -1.376 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.582 -0.452 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.191 -1.932 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.786 -2.891 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.934 -4.093 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.314 -3.114 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.566 -3.966 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.191 -4.968 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.882 -6.184 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.413 -6.143 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.697 -5.138 -0.582 1.00 0.00 H new ATOM 441 N LYS A 30 12.116 0.497 0.510 1.00 0.00 N ATOM 442 CA LYS A 30 11.413 1.642 -0.061 1.00 0.00 C ATOM 443 C LYS A 30 11.985 2.046 -1.420 1.00 0.00 C ATOM 444 O LYS A 30 11.421 2.908 -2.092 1.00 0.00 O ATOM 445 CB LYS A 30 11.472 2.790 0.945 1.00 0.00 C ATOM 446 CG LYS A 30 12.918 3.137 1.310 1.00 0.00 C ATOM 447 CD LYS A 30 12.976 3.615 2.759 1.00 0.00 C ATOM 448 CE LYS A 30 12.204 4.923 2.958 1.00 0.00 C ATOM 449 NZ LYS A 30 12.812 6.033 2.199 1.00 0.00 N ATOM 0 H LYS A 30 12.622 0.720 1.367 1.00 0.00 H new ATOM 0 HA LYS A 30 10.373 1.373 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.980 3.668 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.923 2.515 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.557 2.264 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.296 3.913 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.563 2.846 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.016 3.758 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.170 4.788 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.182 5.175 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.409 6.936 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.840 6.038 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.616 5.909 1.185 1.00 0.00 H new ATOM 463 N SER A 31 13.092 1.423 -1.825 1.00 0.00 N ATOM 464 CA SER A 31 13.696 1.627 -3.134 1.00 0.00 C ATOM 465 C SER A 31 13.292 0.509 -4.096 1.00 0.00 C ATOM 466 O SER A 31 13.702 0.510 -5.257 1.00 0.00 O ATOM 467 CB SER A 31 15.217 1.701 -2.993 1.00 0.00 C ATOM 468 OG SER A 31 15.570 2.731 -2.095 1.00 0.00 O ATOM 0 H SER A 31 13.598 0.755 -1.243 1.00 0.00 H new ATOM 0 HA SER A 31 13.335 2.568 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.604 0.747 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.672 1.884 -3.966 1.00 0.00 H new ATOM 0 HG SER A 31 16.545 2.770 -2.009 1.00 0.00 H new ATOM 474 N ASP A 32 12.486 -0.447 -3.618 1.00 0.00 N ATOM 475 CA ASP A 32 12.010 -1.575 -4.400 1.00 0.00 C ATOM 476 C ASP A 32 10.493 -1.512 -4.553 1.00 0.00 C ATOM 477 O ASP A 32 9.954 -1.902 -5.587 1.00 0.00 O ATOM 478 CB ASP A 32 12.423 -2.859 -3.680 1.00 0.00 C ATOM 479 CG ASP A 32 13.925 -3.091 -3.773 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.384 -3.470 -4.873 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.609 -2.884 -2.744 1.00 0.00 O ATOM 0 H ASP A 32 12.145 -0.450 -2.657 1.00 0.00 H new ATOM 0 HA ASP A 32 12.446 -1.551 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.127 -2.802 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.895 -3.708 -4.115 1.00 0.00 H new ATOM 486 N VAL A 33 9.789 -1.018 -3.530 1.00 0.00 N ATOM 487 CA VAL A 33 8.341 -0.891 -3.594 1.00 0.00 C ATOM 488 C VAL A 33 7.983 0.134 -4.670 1.00 0.00 C ATOM 489 O VAL A 33 6.937 0.026 -5.308 1.00 0.00 O ATOM 490 CB VAL A 33 7.813 -0.476 -2.217 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.313 -0.204 -2.248 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.060 -1.589 -1.200 1.00 0.00 C ATOM 0 H VAL A 33 10.202 -0.702 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 33 7.878 -1.841 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 33 8.342 0.434 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.975 0.088 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.104 0.601 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.786 -1.106 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.680 -1.282 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.546 -2.495 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.130 -1.785 -1.127 1.00 0.00 H new ATOM 502 N GLU A 34 8.849 1.130 -4.880 1.00 0.00 N ATOM 503 CA GLU A 34 8.636 2.139 -5.910 1.00 0.00 C ATOM 504 C GLU A 34 9.023 1.625 -7.300 1.00 0.00 C ATOM 505 O GLU A 34 9.058 2.395 -8.259 1.00 0.00 O ATOM 506 CB GLU A 34 9.366 3.434 -5.552 1.00 0.00 C ATOM 507 CG GLU A 34 10.885 3.238 -5.523 1.00 0.00 C ATOM 508 CD GLU A 34 11.628 4.545 -5.241 1.00 0.00 C ATOM 509 OE1 GLU A 34 10.958 5.553 -4.914 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.874 4.528 -5.355 1.00 0.00 O ATOM 0 H GLU A 34 9.708 1.255 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 34 7.569 2.359 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.113 4.207 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.026 3.786 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.141 2.504 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.216 2.832 -6.479 1.00 0.00 H new ATOM 517 N ALA A 35 9.316 0.326 -7.414 1.00 0.00 N ATOM 518 CA ALA A 35 9.636 -0.313 -8.681 1.00 0.00 C ATOM 519 C ALA A 35 8.755 -1.540 -8.918 1.00 0.00 C ATOM 520 O ALA A 35 8.782 -2.122 -10.002 1.00 0.00 O ATOM 521 CB ALA A 35 11.119 -0.679 -8.689 1.00 0.00 C ATOM 0 H ALA A 35 9.336 -0.312 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 35 9.435 0.380 -9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.370 -1.159 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.717 0.224 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.329 -1.364 -7.867 1.00 0.00 H new ATOM 527 N ILE A 36 7.975 -1.940 -7.906 1.00 0.00 N ATOM 528 CA ILE A 36 7.064 -3.075 -7.998 1.00 0.00 C ATOM 529 C ILE A 36 5.615 -2.593 -8.025 1.00 0.00 C ATOM 530 O ILE A 36 4.756 -3.269 -8.590 1.00 0.00 O ATOM 531 CB ILE A 36 7.323 -4.008 -6.809 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.762 -4.541 -6.881 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.328 -5.174 -6.816 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.200 -5.134 -5.543 1.00 0.00 C ATOM 0 H ILE A 36 7.962 -1.478 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 36 7.239 -3.623 -8.924 1.00 0.00 H new ATOM 0 HB ILE A 36 7.190 -3.449 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.832 -5.301 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.438 -3.733 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.526 -5.826 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.312 -4.786 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.438 -5.740 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.222 -5.503 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.153 -4.365 -4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.538 -5.958 -5.276 1.00 0.00 H new ATOM 546 N PHE A 37 5.341 -1.434 -7.426 1.00 0.00 N ATOM 547 CA PHE A 37 4.002 -0.872 -7.381 1.00 0.00 C ATOM 548 C PHE A 37 3.855 0.263 -8.397 1.00 0.00 C ATOM 549 O PHE A 37 2.752 0.755 -8.625 1.00 0.00 O ATOM 550 CB PHE A 37 3.704 -0.411 -5.953 1.00 0.00 C ATOM 551 CG PHE A 37 3.486 -1.551 -4.979 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.581 -2.257 -4.467 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.185 -1.899 -4.587 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.382 -3.320 -3.572 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.984 -2.959 -3.692 1.00 0.00 C ATOM 556 CZ PHE A 37 3.081 -3.667 -3.183 1.00 0.00 C ATOM 0 H PHE A 37 6.045 -0.862 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 37 3.271 -1.632 -7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.531 0.205 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.817 0.222 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.583 -1.983 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.339 -1.351 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.228 -3.868 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.982 -3.230 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.924 -4.481 -2.490 1.00 0.00 H new ATOM 566 N SER A 38 4.962 0.683 -9.013 1.00 0.00 N ATOM 567 CA SER A 38 4.958 1.775 -9.982 1.00 0.00 C ATOM 568 C SER A 38 4.319 1.351 -11.301 1.00 0.00 C ATOM 569 O SER A 38 3.974 2.192 -12.129 1.00 0.00 O ATOM 570 CB SER A 38 6.396 2.236 -10.224 1.00 0.00 C ATOM 571 OG SER A 38 7.175 1.147 -10.672 1.00 0.00 O ATOM 0 H SER A 38 5.883 0.275 -8.853 1.00 0.00 H new ATOM 0 HA SER A 38 4.365 2.594 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.412 3.036 -10.964 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.817 2.643 -9.305 1.00 0.00 H new ATOM 0 HG SER A 38 8.095 1.445 -10.828 1.00 0.00 H new ATOM 577 N LYS A 39 4.159 0.040 -11.497 1.00 0.00 N ATOM 578 CA LYS A 39 3.546 -0.515 -12.696 1.00 0.00 C ATOM 579 C LYS A 39 2.020 -0.449 -12.652 1.00 0.00 C ATOM 580 O LYS A 39 1.371 -0.677 -13.671 1.00 0.00 O ATOM 581 CB LYS A 39 4.048 -1.946 -12.876 1.00 0.00 C ATOM 582 CG LYS A 39 3.541 -2.828 -11.730 1.00 0.00 C ATOM 583 CD LYS A 39 4.383 -4.096 -11.632 1.00 0.00 C ATOM 584 CE LYS A 39 4.268 -4.922 -12.914 1.00 0.00 C ATOM 585 NZ LYS A 39 5.067 -6.160 -12.820 1.00 0.00 N ATOM 0 H LYS A 39 4.454 -0.666 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 39 3.838 0.086 -13.557 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.704 -2.343 -13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.138 -1.957 -12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.587 -2.278 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.496 -3.088 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.426 -3.833 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.055 -4.691 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.223 -5.173 -13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.607 -4.330 -13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.972 -6.702 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.067 -5.917 -12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.726 -6.734 -12.023 1.00 0.00 H new ATOM 599 N TYR A 40 1.446 -0.140 -11.484 1.00 0.00 N ATOM 600 CA TYR A 40 0.001 -0.009 -11.333 1.00 0.00 C ATOM 601 C TYR A 40 -0.413 1.453 -11.212 1.00 0.00 C ATOM 602 O TYR A 40 -1.590 1.783 -11.373 1.00 0.00 O ATOM 603 CB TYR A 40 -0.455 -0.812 -10.114 1.00 0.00 C ATOM 604 CG TYR A 40 -0.037 -2.260 -10.196 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.692 -3.132 -11.077 1.00 0.00 C ATOM 606 CD2 TYR A 40 1.019 -2.724 -9.401 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.283 -4.469 -11.174 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.441 -4.057 -9.502 1.00 0.00 C ATOM 609 CZ TYR A 40 0.788 -4.937 -10.387 1.00 0.00 C ATOM 610 OH TYR A 40 1.189 -6.234 -10.488 1.00 0.00 O ATOM 0 H TYR A 40 1.970 0.025 -10.625 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.484 -0.406 -12.225 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.039 -0.366 -9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.540 -0.753 -10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.512 -2.773 -11.681 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.508 -2.054 -8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.789 -5.141 -11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.267 -4.409 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 40 1.599 -6.516 -9.644 1.00 0.00 H new ATOM 620 N GLY A 41 0.543 2.339 -10.929 1.00 0.00 N ATOM 621 CA GLY A 41 0.277 3.769 -10.912 1.00 0.00 C ATOM 622 C GLY A 41 1.544 4.579 -10.666 1.00 0.00 C ATOM 623 O GLY A 41 2.544 4.053 -10.183 1.00 0.00 O ATOM 0 H GLY A 41 1.507 2.087 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.166 4.067 -11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.454 3.993 -10.135 1.00 0.00 H new ATOM 627 N LYS A 42 1.492 5.871 -11.002 1.00 0.00 N ATOM 628 CA LYS A 42 2.599 6.784 -10.780 1.00 0.00 C ATOM 629 C LYS A 42 2.717 7.055 -9.286 1.00 0.00 C ATOM 630 O LYS A 42 1.820 7.648 -8.685 1.00 0.00 O ATOM 631 CB LYS A 42 2.335 8.063 -11.576 1.00 0.00 C ATOM 632 CG LYS A 42 3.313 9.173 -11.206 1.00 0.00 C ATOM 633 CD LYS A 42 3.039 10.396 -12.079 1.00 0.00 C ATOM 634 CE LYS A 42 3.803 11.589 -11.520 1.00 0.00 C ATOM 635 NZ LYS A 42 3.609 12.792 -12.354 1.00 0.00 N ATOM 0 H LYS A 42 0.678 6.306 -11.435 1.00 0.00 H new ATOM 0 HA LYS A 42 3.544 6.359 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.413 7.850 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.315 8.401 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.206 9.432 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.339 8.832 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.346 10.201 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.971 10.611 -12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.469 11.792 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.865 11.350 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.142 13.587 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.950 12.605 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.598 13.033 -12.385 1.00 0.00 H new ATOM 649 N ILE A 43 3.827 6.622 -8.688 1.00 0.00 N ATOM 650 CA ILE A 43 4.059 6.784 -7.262 1.00 0.00 C ATOM 651 C ILE A 43 4.632 8.169 -6.994 1.00 0.00 C ATOM 652 O ILE A 43 5.596 8.584 -7.637 1.00 0.00 O ATOM 653 CB ILE A 43 4.967 5.651 -6.756 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.226 4.320 -6.922 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.326 5.855 -5.283 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.061 3.110 -6.506 1.00 0.00 C ATOM 0 H ILE A 43 4.586 6.151 -9.181 1.00 0.00 H new ATOM 0 HA ILE A 43 3.122 6.713 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 43 5.891 5.649 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.312 4.344 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.927 4.206 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.969 5.041 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.850 6.803 -5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.415 5.867 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.478 2.200 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.963 3.063 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.339 3.203 -5.456 1.00 0.00 H new ATOM 668 N VAL A 44 4.033 8.884 -6.040 1.00 0.00 N ATOM 669 CA VAL A 44 4.471 10.217 -5.645 1.00 0.00 C ATOM 670 C VAL A 44 5.116 10.187 -4.262 1.00 0.00 C ATOM 671 O VAL A 44 5.648 11.199 -3.805 1.00 0.00 O ATOM 672 CB VAL A 44 3.297 11.201 -5.699 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.732 11.287 -7.115 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.176 10.776 -4.747 1.00 0.00 C ATOM 0 H VAL A 44 3.224 8.548 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 44 5.228 10.560 -6.350 1.00 0.00 H new ATOM 0 HB VAL A 44 3.677 12.176 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.900 11.990 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.510 11.629 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.382 10.303 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.357 11.493 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.814 9.787 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.558 10.745 -3.726 1.00 0.00 H new ATOM 684 N GLY A 45 5.069 9.030 -3.600 1.00 0.00 N ATOM 685 CA GLY A 45 5.682 8.831 -2.301 1.00 0.00 C ATOM 686 C GLY A 45 5.662 7.349 -1.937 1.00 0.00 C ATOM 687 O GLY A 45 4.730 6.635 -2.296 1.00 0.00 O ATOM 0 H GLY A 45 4.598 8.201 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.709 9.197 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.148 9.407 -1.545 1.00 0.00 H new ATOM 691 N CYS A 46 6.692 6.888 -1.226 1.00 0.00 N ATOM 692 CA CYS A 46 6.807 5.497 -0.829 1.00 0.00 C ATOM 693 C CYS A 46 7.591 5.383 0.473 1.00 0.00 C ATOM 694 O CYS A 46 8.506 6.168 0.722 1.00 0.00 O ATOM 695 CB CYS A 46 7.499 4.712 -1.949 1.00 0.00 C ATOM 696 SG CYS A 46 7.538 2.956 -1.521 1.00 0.00 S ATOM 0 H CYS A 46 7.466 7.474 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 46 5.814 5.081 -0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.968 4.856 -2.890 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.513 5.084 -2.095 1.00 0.00 H new ATOM 0 HG CYS A 46 6.548 2.681 -0.725 1.00 0.00 H new ATOM 702 N SER A 47 7.234 4.405 1.308 1.00 0.00 N ATOM 703 CA SER A 47 7.933 4.146 2.553 1.00 0.00 C ATOM 704 C SER A 47 7.806 2.677 2.928 1.00 0.00 C ATOM 705 O SER A 47 6.820 2.021 2.596 1.00 0.00 O ATOM 706 CB SER A 47 7.371 5.038 3.662 1.00 0.00 C ATOM 707 OG SER A 47 6.035 4.683 3.941 1.00 0.00 O ATOM 0 H SER A 47 6.451 3.774 1.134 1.00 0.00 H new ATOM 0 HA SER A 47 8.990 4.377 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.977 4.938 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.422 6.084 3.359 1.00 0.00 H new ATOM 0 HG SER A 47 5.475 5.487 3.936 1.00 0.00 H new ATOM 713 N VAL A 48 8.814 2.161 3.632 1.00 0.00 N ATOM 714 CA VAL A 48 8.804 0.800 4.150 1.00 0.00 C ATOM 715 C VAL A 48 9.133 0.843 5.635 1.00 0.00 C ATOM 716 O VAL A 48 9.872 1.714 6.091 1.00 0.00 O ATOM 717 CB VAL A 48 9.780 -0.087 3.376 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.846 -1.496 3.972 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.311 -0.203 1.929 1.00 0.00 C ATOM 0 H VAL A 48 9.662 2.681 3.858 1.00 0.00 H new ATOM 0 HA VAL A 48 7.815 0.361 4.019 1.00 0.00 H new ATOM 0 HB VAL A 48 10.768 0.369 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.548 -2.101 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.179 -1.437 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.858 -1.954 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.003 -0.834 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.315 -0.646 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.279 0.788 1.476 1.00 0.00 H new ATOM 729 N HIS A 49 8.576 -0.112 6.376 1.00 0.00 N ATOM 730 CA HIS A 49 8.705 -0.202 7.818 1.00 0.00 C ATOM 731 C HIS A 49 8.982 -1.657 8.175 1.00 0.00 C ATOM 732 O HIS A 49 9.412 -2.426 7.316 1.00 0.00 O ATOM 733 CB HIS A 49 7.404 0.314 8.440 1.00 0.00 C ATOM 734 CG HIS A 49 7.029 1.692 7.957 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.254 2.884 8.650 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.418 1.974 6.769 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.778 3.855 7.856 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.271 3.341 6.721 1.00 0.00 N ATOM 0 H HIS A 49 8.010 -0.860 5.975 1.00 0.00 H new ATOM 0 HA HIS A 49 9.527 0.402 8.202 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.596 -0.379 8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.507 0.330 9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.111 1.264 6.016 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.799 4.908 8.096 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.851 3.872 5.958 1.00 0.00 H new ATOM 746 N LYS A 50 8.745 -2.064 9.426 1.00 0.00 N ATOM 747 CA LYS A 50 8.906 -3.459 9.809 1.00 0.00 C ATOM 748 C LYS A 50 7.556 -4.163 9.773 1.00 0.00 C ATOM 749 O LYS A 50 6.640 -3.805 10.510 1.00 0.00 O ATOM 750 CB LYS A 50 9.564 -3.563 11.185 1.00 0.00 C ATOM 751 CG LYS A 50 10.995 -3.007 11.177 1.00 0.00 C ATOM 752 CD LYS A 50 11.877 -3.658 10.109 1.00 0.00 C ATOM 753 CE LYS A 50 11.880 -5.180 10.250 1.00 0.00 C ATOM 754 NZ LYS A 50 12.624 -5.817 9.146 1.00 0.00 N ATOM 0 H LYS A 50 8.444 -1.448 10.181 1.00 0.00 H new ATOM 0 HA LYS A 50 9.564 -3.956 9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.966 -3.018 11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.581 -4.606 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.961 -1.931 11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.446 -3.161 12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.517 -3.382 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.896 -3.280 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.329 -5.459 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.854 -5.549 10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.019 -6.723 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.981 -5.986 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.397 -5.191 8.842 1.00 0.00 H new ATOM 768 N GLY A 51 7.447 -5.170 8.904 1.00 0.00 N ATOM 769 CA GLY A 51 6.238 -5.966 8.739 1.00 0.00 C ATOM 770 C GLY A 51 5.215 -5.321 7.800 1.00 0.00 C ATOM 771 O GLY A 51 4.232 -5.966 7.441 1.00 0.00 O ATOM 0 H GLY A 51 8.209 -5.456 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.508 -6.949 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.778 -6.123 9.715 1.00 0.00 H new ATOM 775 N PHE A 52 5.422 -4.066 7.396 1.00 0.00 N ATOM 776 CA PHE A 52 4.507 -3.379 6.495 1.00 0.00 C ATOM 777 C PHE A 52 5.210 -2.284 5.694 1.00 0.00 C ATOM 778 O PHE A 52 6.360 -1.937 5.966 1.00 0.00 O ATOM 779 CB PHE A 52 3.347 -2.775 7.289 1.00 0.00 C ATOM 780 CG PHE A 52 3.753 -1.690 8.260 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.241 -2.027 9.529 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.640 -0.342 7.889 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.614 -1.019 10.426 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.013 0.666 8.786 1.00 0.00 C ATOM 785 CZ PHE A 52 4.501 0.328 10.055 1.00 0.00 C ATOM 0 H PHE A 52 6.223 -3.505 7.684 1.00 0.00 H new ATOM 0 HA PHE A 52 4.126 -4.116 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.618 -2.366 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.847 -3.571 7.841 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.330 -3.065 9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.265 -0.081 6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.989 -1.279 11.405 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.925 1.704 8.500 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.790 1.105 10.747 1.00 0.00 H new ATOM 795 N ALA A 53 4.503 -1.741 4.701 1.00 0.00 N ATOM 796 CA ALA A 53 4.969 -0.634 3.878 1.00 0.00 C ATOM 797 C ALA A 53 3.782 0.221 3.427 1.00 0.00 C ATOM 798 O ALA A 53 2.628 -0.146 3.642 1.00 0.00 O ATOM 799 CB ALA A 53 5.727 -1.186 2.671 1.00 0.00 C ATOM 0 H ALA A 53 3.572 -2.069 4.445 1.00 0.00 H new ATOM 0 HA ALA A 53 5.641 -0.003 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.077 -0.360 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.581 -1.770 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.064 -1.822 2.085 1.00 0.00 H new ATOM 805 N PHE A 54 4.076 1.361 2.797 1.00 0.00 N ATOM 806 CA PHE A 54 3.066 2.276 2.287 1.00 0.00 C ATOM 807 C PHE A 54 3.479 2.829 0.926 1.00 0.00 C ATOM 808 O PHE A 54 4.666 2.996 0.641 1.00 0.00 O ATOM 809 CB PHE A 54 2.847 3.420 3.280 1.00 0.00 C ATOM 810 CG PHE A 54 1.744 3.162 4.280 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.408 3.269 3.871 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.048 2.824 5.608 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.626 3.039 4.785 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.011 2.590 6.520 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.325 2.697 6.109 1.00 0.00 C ATOM 0 H PHE A 54 5.032 1.673 2.628 1.00 0.00 H new ATOM 0 HA PHE A 54 2.131 1.729 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.777 3.603 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.616 4.330 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.176 3.529 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.077 2.745 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.655 3.125 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.241 2.327 7.542 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.123 2.516 6.814 1.00 0.00 H new ATOM 825 N VAL A 55 2.483 3.118 0.085 1.00 0.00 N ATOM 826 CA VAL A 55 2.677 3.701 -1.235 1.00 0.00 C ATOM 827 C VAL A 55 1.658 4.809 -1.437 1.00 0.00 C ATOM 828 O VAL A 55 0.554 4.746 -0.900 1.00 0.00 O ATOM 829 CB VAL A 55 2.547 2.629 -2.322 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.661 3.233 -3.721 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.663 1.602 -2.165 1.00 0.00 C ATOM 0 H VAL A 55 1.503 2.948 0.311 1.00 0.00 H new ATOM 0 HA VAL A 55 3.681 4.119 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 55 1.567 2.166 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.564 2.444 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.869 3.968 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.631 3.718 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.568 0.841 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.629 2.097 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.590 1.133 -1.184 1.00 0.00 H new ATOM 841 N GLN A 56 2.030 5.823 -2.213 1.00 0.00 N ATOM 842 CA GLN A 56 1.181 6.969 -2.480 1.00 0.00 C ATOM 843 C GLN A 56 1.113 7.203 -3.986 1.00 0.00 C ATOM 844 O GLN A 56 2.144 7.225 -4.657 1.00 0.00 O ATOM 845 CB GLN A 56 1.780 8.175 -1.748 1.00 0.00 C ATOM 846 CG GLN A 56 0.869 9.401 -1.805 1.00 0.00 C ATOM 847 CD GLN A 56 -0.346 9.237 -0.909 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.221 9.050 0.299 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.534 9.308 -1.490 1.00 0.00 N ATOM 0 H GLN A 56 2.938 5.868 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 56 0.164 6.805 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.964 7.910 -0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.746 8.422 -2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.429 10.285 -1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.544 9.566 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.601 9.464 -2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.382 9.206 -0.932 1.00 0.00 H new ATOM 858 N TYR A 57 -0.100 7.379 -4.513 1.00 0.00 N ATOM 859 CA TYR A 57 -0.335 7.592 -5.935 1.00 0.00 C ATOM 860 C TYR A 57 -0.899 8.987 -6.188 1.00 0.00 C ATOM 861 O TYR A 57 -1.169 9.739 -5.253 1.00 0.00 O ATOM 862 CB TYR A 57 -1.302 6.533 -6.464 1.00 0.00 C ATOM 863 CG TYR A 57 -0.758 5.125 -6.446 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.422 4.838 -7.146 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.426 4.112 -5.746 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.947 3.542 -7.133 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.895 2.815 -5.718 1.00 0.00 C ATOM 868 CZ TYR A 57 0.295 2.529 -6.407 1.00 0.00 C ATOM 869 OH TYR A 57 0.814 1.276 -6.369 1.00 0.00 O ATOM 0 H TYR A 57 -0.954 7.377 -3.955 1.00 0.00 H new ATOM 0 HA TYR A 57 0.616 7.507 -6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.215 6.564 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.578 6.789 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.926 5.619 -7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.349 4.330 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.852 3.319 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.401 2.036 -5.167 1.00 0.00 H new ATOM 0 HH TYR A 57 1.418 1.149 -7.131 1.00 0.00 H new ATOM 879 N VAL A 58 -1.084 9.327 -7.466 1.00 0.00 N ATOM 880 CA VAL A 58 -1.650 10.604 -7.862 1.00 0.00 C ATOM 881 C VAL A 58 -3.146 10.636 -7.544 1.00 0.00 C ATOM 882 O VAL A 58 -3.686 11.701 -7.249 1.00 0.00 O ATOM 883 CB VAL A 58 -1.394 10.833 -9.355 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.137 12.062 -9.865 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.101 11.030 -9.595 1.00 0.00 C ATOM 0 H VAL A 58 -0.843 8.720 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.173 11.408 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.756 9.957 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.933 12.195 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.208 11.928 -9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.801 12.943 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.281 11.193 -10.658 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.449 11.896 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.642 10.142 -9.267 1.00 0.00 H new ATOM 895 N ASN A 59 -3.825 9.484 -7.599 1.00 0.00 N ATOM 896 CA ASN A 59 -5.240 9.428 -7.271 1.00 0.00 C ATOM 897 C ASN A 59 -5.677 8.033 -6.823 1.00 0.00 C ATOM 898 O ASN A 59 -4.937 7.063 -6.965 1.00 0.00 O ATOM 899 CB ASN A 59 -6.070 9.921 -8.459 1.00 0.00 C ATOM 900 CG ASN A 59 -6.468 8.822 -9.426 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.653 8.563 -9.598 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.499 8.167 -10.056 1.00 0.00 N ATOM 0 H ASN A 59 -3.415 8.589 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.414 10.089 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.971 10.406 -8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.501 10.678 -8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.730 7.419 -10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.524 8.412 -9.886 1.00 0.00 H new ATOM 909 N GLU A 60 -6.892 7.945 -6.280 1.00 0.00 N ATOM 910 CA GLU A 60 -7.468 6.707 -5.770 1.00 0.00 C ATOM 911 C GLU A 60 -7.544 5.619 -6.842 1.00 0.00 C ATOM 912 O GLU A 60 -7.433 4.443 -6.513 1.00 0.00 O ATOM 913 CB GLU A 60 -8.859 7.040 -5.230 1.00 0.00 C ATOM 914 CG GLU A 60 -9.630 5.807 -4.756 1.00 0.00 C ATOM 915 CD GLU A 60 -11.036 6.167 -4.282 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.315 7.375 -4.112 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.830 5.217 -4.093 1.00 0.00 O ATOM 0 H GLU A 60 -7.512 8.749 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.831 6.305 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.762 7.741 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.433 7.543 -6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.694 5.083 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.084 5.327 -3.944 1.00 0.00 H new ATOM 924 N ARG A 61 -7.728 5.980 -8.116 1.00 0.00 N ATOM 925 CA ARG A 61 -7.814 4.979 -9.175 1.00 0.00 C ATOM 926 C ARG A 61 -6.535 4.148 -9.217 1.00 0.00 C ATOM 927 O ARG A 61 -6.583 2.938 -9.434 1.00 0.00 O ATOM 928 CB ARG A 61 -8.051 5.688 -10.511 1.00 0.00 C ATOM 929 CG ARG A 61 -7.892 4.760 -11.718 1.00 0.00 C ATOM 930 CD ARG A 61 -8.763 3.514 -11.600 1.00 0.00 C ATOM 931 NE ARG A 61 -10.192 3.853 -11.567 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.164 2.963 -11.337 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.873 1.685 -11.112 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.434 3.358 -11.331 1.00 0.00 N ATOM 0 H ARG A 61 -7.819 6.945 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.646 4.302 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.054 6.114 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.352 6.519 -10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.154 5.300 -12.628 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.847 4.464 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.565 2.850 -12.442 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.497 2.968 -10.695 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.459 4.824 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.901 1.375 -11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.622 1.015 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.664 4.337 -11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.178 2.682 -11.156 1.00 0.00 H new ATOM 948 N ASN A 62 -5.386 4.793 -9.008 1.00 0.00 N ATOM 949 CA ASN A 62 -4.118 4.088 -9.025 1.00 0.00 C ATOM 950 C ASN A 62 -3.973 3.199 -7.791 1.00 0.00 C ATOM 951 O ASN A 62 -3.242 2.212 -7.824 1.00 0.00 O ATOM 952 CB ASN A 62 -2.996 5.117 -9.098 1.00 0.00 C ATOM 953 CG ASN A 62 -2.883 5.706 -10.494 1.00 0.00 C ATOM 954 OD1 ASN A 62 -2.985 6.918 -10.673 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.670 4.850 -11.490 1.00 0.00 N ATOM 0 H ASN A 62 -5.314 5.794 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.070 3.434 -9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.182 5.914 -8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.051 4.650 -8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.585 5.192 -12.447 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.592 3.852 -11.296 1.00 0.00 H new ATOM 962 N ALA A 63 -4.668 3.542 -6.704 1.00 0.00 N ATOM 963 CA ALA A 63 -4.627 2.746 -5.487 1.00 0.00 C ATOM 964 C ALA A 63 -5.477 1.489 -5.655 1.00 0.00 C ATOM 965 O ALA A 63 -5.110 0.426 -5.162 1.00 0.00 O ATOM 966 CB ALA A 63 -5.117 3.584 -4.308 1.00 0.00 C ATOM 0 H ALA A 63 -5.265 4.367 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.601 2.437 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.085 2.985 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.475 4.457 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.141 3.909 -4.493 1.00 0.00 H new ATOM 972 N ARG A 64 -6.612 1.599 -6.351 1.00 0.00 N ATOM 973 CA ARG A 64 -7.481 0.455 -6.604 1.00 0.00 C ATOM 974 C ARG A 64 -6.782 -0.531 -7.536 1.00 0.00 C ATOM 975 O ARG A 64 -7.055 -1.729 -7.479 1.00 0.00 O ATOM 976 CB ARG A 64 -8.792 0.918 -7.245 1.00 0.00 C ATOM 977 CG ARG A 64 -9.597 1.893 -6.382 1.00 0.00 C ATOM 978 CD ARG A 64 -10.076 1.271 -5.070 1.00 0.00 C ATOM 979 NE ARG A 64 -10.897 2.231 -4.327 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.496 1.988 -3.159 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.392 0.805 -2.563 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.205 2.951 -2.581 1.00 0.00 N ATOM 0 H ARG A 64 -6.949 2.475 -6.750 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.700 -0.034 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.569 1.393 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.408 0.045 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.984 2.767 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.460 2.244 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.653 0.370 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.219 0.970 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.020 3.158 -4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.846 0.061 -2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.858 0.641 -1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.287 3.863 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.668 2.778 -1.689 1.00 0.00 H new ATOM 996 N ALA A 65 -5.882 -0.039 -8.393 1.00 0.00 N ATOM 997 CA ALA A 65 -5.181 -0.891 -9.338 1.00 0.00 C ATOM 998 C ALA A 65 -4.056 -1.662 -8.646 1.00 0.00 C ATOM 999 O ALA A 65 -3.764 -2.796 -9.020 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.642 -0.025 -10.473 1.00 0.00 C ATOM 0 H ALA A 65 -5.627 0.947 -8.446 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.870 -1.630 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.113 -0.653 -11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.470 0.477 -10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.957 0.720 -10.068 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.425 -1.058 -7.634 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.349 -1.716 -6.914 1.00 0.00 C ATOM 1008 C ALA A 66 -2.885 -2.641 -5.822 1.00 0.00 C ATOM 1009 O ALA A 66 -2.302 -3.691 -5.566 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.441 -0.639 -6.339 1.00 0.00 C ATOM 0 H ALA A 66 -3.645 -0.119 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.783 -2.351 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.623 -1.107 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.036 -0.033 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.013 -0.004 -5.663 1.00 0.00 H new ATOM 1016 N VAL A 67 -3.993 -2.267 -5.176 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.638 -3.116 -4.181 1.00 0.00 C ATOM 1018 C VAL A 67 -5.182 -4.376 -4.844 1.00 0.00 C ATOM 1019 O VAL A 67 -5.238 -5.429 -4.216 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.764 -2.328 -3.504 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.659 -3.226 -2.649 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.178 -1.257 -2.587 1.00 0.00 C ATOM 0 H VAL A 67 -4.462 -1.374 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.912 -3.418 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.358 -1.883 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.443 -2.625 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.111 -3.993 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.061 -3.701 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.987 -0.703 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.563 -1.730 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.565 -0.572 -3.173 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.582 -4.285 -6.114 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.074 -5.446 -6.844 1.00 0.00 C ATOM 1034 C ALA A 68 -4.976 -6.112 -7.677 1.00 0.00 C ATOM 1035 O ALA A 68 -5.187 -7.206 -8.200 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.252 -5.018 -7.717 1.00 0.00 C ATOM 0 H ALA A 68 -5.573 -3.420 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.406 -6.196 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.628 -5.880 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.045 -4.616 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.924 -4.252 -8.420 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.809 -5.468 -7.807 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.717 -5.990 -8.618 1.00 0.00 C ATOM 1044 C GLY A 69 -1.605 -6.654 -7.805 1.00 0.00 C ATOM 1045 O GLY A 69 -0.773 -7.350 -8.384 1.00 0.00 O ATOM 0 H GLY A 69 -3.602 -4.578 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.118 -6.715 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.290 -5.175 -9.202 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.571 -6.455 -6.481 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.474 -6.949 -5.649 1.00 0.00 C ATOM 1051 C GLU A 70 -0.978 -7.670 -4.403 1.00 0.00 C ATOM 1052 O GLU A 70 -0.229 -8.432 -3.797 1.00 0.00 O ATOM 1053 CB GLU A 70 0.404 -5.764 -5.239 1.00 0.00 C ATOM 1054 CG GLU A 70 1.216 -5.227 -6.415 1.00 0.00 C ATOM 1055 CD GLU A 70 2.362 -6.175 -6.767 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.275 -6.301 -5.923 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.329 -6.766 -7.868 1.00 0.00 O ATOM 0 H GLU A 70 -2.294 -5.954 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 70 0.098 -7.671 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.223 -4.969 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.080 -6.071 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.567 -5.098 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.616 -4.244 -6.167 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.230 -7.458 -3.995 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.751 -8.154 -2.828 1.00 0.00 C ATOM 1066 C ASP A 71 -2.739 -9.660 -3.070 1.00 0.00 C ATOM 1067 O ASP A 71 -3.409 -10.150 -3.979 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.164 -7.661 -2.526 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.764 -8.416 -1.341 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.054 -8.535 -0.317 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.925 -8.862 -1.473 1.00 0.00 O ATOM 0 H ASP A 71 -2.887 -6.823 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.118 -7.944 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.142 -6.593 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.795 -7.794 -3.404 1.00 0.00 H new ATOM 1076 N GLY A 72 -1.976 -10.398 -2.256 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.894 -11.844 -2.389 1.00 0.00 C ATOM 1078 C GLY A 72 -0.812 -12.247 -3.382 1.00 0.00 C ATOM 1079 O GLY A 72 -0.721 -13.418 -3.751 1.00 0.00 O ATOM 0 H GLY A 72 -1.410 -10.012 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.683 -12.290 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.856 -12.236 -2.717 1.00 0.00 H new ATOM 1083 N ARG A 73 0.009 -11.286 -3.814 1.00 0.00 N ATOM 1084 CA ARG A 73 1.187 -11.578 -4.609 1.00 0.00 C ATOM 1085 C ARG A 73 2.222 -12.152 -3.655 1.00 0.00 C ATOM 1086 O ARG A 73 2.029 -12.108 -2.440 1.00 0.00 O ATOM 1087 CB ARG A 73 1.668 -10.315 -5.329 1.00 0.00 C ATOM 1088 CG ARG A 73 2.396 -9.366 -4.376 1.00 0.00 C ATOM 1089 CD ARG A 73 3.904 -9.427 -4.617 1.00 0.00 C ATOM 1090 NE ARG A 73 4.226 -8.857 -5.927 1.00 0.00 N ATOM 1091 CZ ARG A 73 5.112 -9.328 -6.807 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.836 -10.416 -6.560 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.272 -8.690 -7.962 1.00 0.00 N ATOM 0 H ARG A 73 -0.129 -10.294 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 73 0.982 -12.303 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.334 -10.593 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.815 -9.802 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.038 -8.347 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.175 -9.636 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.428 -8.879 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.247 -10.460 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 73 3.721 -8.012 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.722 -10.915 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.505 -10.751 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.722 -7.855 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.945 -9.036 -8.647 1.00 0.00 H new ATOM 1107 N MET A 74 3.316 -12.693 -4.178 1.00 0.00 N ATOM 1108 CA MET A 74 4.315 -13.314 -3.334 1.00 0.00 C ATOM 1109 C MET A 74 5.609 -12.530 -3.425 1.00 0.00 C ATOM 1110 O MET A 74 6.168 -12.367 -4.510 1.00 0.00 O ATOM 1111 CB MET A 74 4.474 -14.779 -3.735 1.00 0.00 C ATOM 1112 CG MET A 74 5.341 -15.516 -2.712 1.00 0.00 C ATOM 1113 SD MET A 74 5.129 -17.311 -2.760 1.00 0.00 S ATOM 1114 CE MET A 74 3.445 -17.409 -2.090 1.00 0.00 C ATOM 0 H MET A 74 3.528 -12.712 -5.176 1.00 0.00 H new ATOM 0 HA MET A 74 4.006 -13.299 -2.289 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.495 -15.254 -3.802 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.929 -14.846 -4.723 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.389 -15.275 -2.893 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.099 -15.155 -1.713 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.159 -18.455 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.410 -16.915 -1.119 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.753 -16.917 -2.773 1.00 0.00 H new ATOM 1124 N ILE A 75 6.081 -12.043 -2.278 1.00 0.00 N ATOM 1125 CA ILE A 75 7.316 -11.280 -2.210 1.00 0.00 C ATOM 1126 C ILE A 75 8.212 -11.864 -1.127 1.00 0.00 C ATOM 1127 O ILE A 75 7.748 -12.190 -0.037 1.00 0.00 O ATOM 1128 CB ILE A 75 6.972 -9.794 -2.008 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.251 -9.070 -3.329 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.746 -9.175 -0.843 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.890 -7.582 -3.296 1.00 0.00 C ATOM 0 H ILE A 75 5.618 -12.168 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 75 7.882 -11.347 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 75 5.920 -9.692 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.308 -9.174 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.688 -9.555 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.470 -8.126 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.504 -9.706 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.816 -9.251 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.113 -7.132 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.827 -7.470 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.472 -7.083 -2.521 1.00 0.00 H new ATOM 1143 N ALA A 76 9.504 -11.998 -1.435 1.00 0.00 N ATOM 1144 CA ALA A 76 10.468 -12.653 -0.560 1.00 0.00 C ATOM 1145 C ALA A 76 10.025 -14.066 -0.168 1.00 0.00 C ATOM 1146 O ALA A 76 10.529 -14.628 0.804 1.00 0.00 O ATOM 1147 CB ALA A 76 10.754 -11.778 0.656 1.00 0.00 C ATOM 0 H ALA A 76 9.909 -11.652 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 76 11.399 -12.776 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.475 -12.278 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.162 -10.822 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.829 -11.608 1.208 1.00 0.00 H new ATOM 1153 N GLY A 77 9.079 -14.642 -0.919 1.00 0.00 N ATOM 1154 CA GLY A 77 8.554 -15.972 -0.656 1.00 0.00 C ATOM 1155 C GLY A 77 7.367 -15.941 0.304 1.00 0.00 C ATOM 1156 O GLY A 77 6.867 -16.998 0.688 1.00 0.00 O ATOM 0 H GLY A 77 8.658 -14.189 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.248 -16.433 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.343 -16.596 -0.237 1.00 0.00 H new ATOM 1160 N GLN A 78 6.913 -14.745 0.693 1.00 0.00 N ATOM 1161 CA GLN A 78 5.801 -14.583 1.612 1.00 0.00 C ATOM 1162 C GLN A 78 4.712 -13.712 0.975 1.00 0.00 C ATOM 1163 O GLN A 78 4.990 -12.645 0.435 1.00 0.00 O ATOM 1164 CB GLN A 78 6.372 -14.013 2.911 1.00 0.00 C ATOM 1165 CG GLN A 78 5.297 -13.591 3.910 1.00 0.00 C ATOM 1166 CD GLN A 78 5.411 -12.100 4.186 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.604 -11.680 5.326 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.294 -11.288 3.141 1.00 0.00 N ATOM 0 H GLN A 78 7.314 -13.863 0.373 1.00 0.00 H new ATOM 0 HA GLN A 78 5.311 -15.530 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.016 -14.760 3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.999 -13.152 2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.308 -13.823 3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.409 -14.152 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.134 -11.674 2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.364 -10.279 3.269 1.00 0.00 H new ATOM 1177 N VAL A 79 3.463 -14.181 1.047 1.00 0.00 N ATOM 1178 CA VAL A 79 2.302 -13.502 0.478 1.00 0.00 C ATOM 1179 C VAL A 79 2.080 -12.158 1.162 1.00 0.00 C ATOM 1180 O VAL A 79 2.249 -12.041 2.375 1.00 0.00 O ATOM 1181 CB VAL A 79 1.065 -14.393 0.657 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.163 -13.748 0.025 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.281 -15.748 -0.013 1.00 0.00 C ATOM 0 H VAL A 79 3.229 -15.059 1.511 1.00 0.00 H new ATOM 0 HA VAL A 79 2.476 -13.320 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 79 0.909 -14.521 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.027 -14.397 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.353 -12.785 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.012 -13.600 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.394 -16.367 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.461 -15.603 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.142 -16.243 0.436 1.00 0.00 H new ATOM 1193 N LEU A 80 1.700 -11.141 0.382 1.00 0.00 N ATOM 1194 CA LEU A 80 1.402 -9.822 0.928 1.00 0.00 C ATOM 1195 C LEU A 80 -0.090 -9.653 1.194 1.00 0.00 C ATOM 1196 O LEU A 80 -0.919 -10.342 0.602 1.00 0.00 O ATOM 1197 CB LEU A 80 1.898 -8.718 -0.010 1.00 0.00 C ATOM 1198 CG LEU A 80 3.379 -8.854 -0.353 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.814 -7.599 -1.101 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.232 -8.994 0.903 1.00 0.00 C ATOM 0 H LEU A 80 1.593 -11.211 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 80 1.929 -9.737 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.313 -8.739 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.725 -7.748 0.455 1.00 0.00 H new ATOM 0 HG LEU A 80 3.516 -9.748 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.871 -7.675 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.227 -7.498 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.656 -6.725 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.281 -9.089 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.103 -8.112 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.923 -9.881 1.456 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.420 -8.725 2.092 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.795 -8.372 2.403 1.00 0.00 C ATOM 1214 C ASP A 81 -1.952 -6.872 2.183 1.00 0.00 C ATOM 1215 O ASP A 81 -1.555 -6.067 3.023 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.119 -8.779 3.841 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.579 -8.480 4.170 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.450 -9.112 3.532 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.812 -7.629 5.054 1.00 0.00 O ATOM 0 H ASP A 81 0.269 -8.196 2.626 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.496 -8.900 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.921 -9.842 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.468 -8.243 4.532 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.535 -6.497 1.043 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.581 -5.112 0.602 1.00 0.00 C ATOM 1226 C ILE A 82 -4.021 -4.611 0.573 1.00 0.00 C ATOM 1227 O ILE A 82 -4.927 -5.326 0.147 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.873 -5.016 -0.752 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.393 -5.350 -0.523 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.002 -3.614 -1.361 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.293 -5.764 -1.815 1.00 0.00 C ATOM 0 H ILE A 82 -2.987 -7.150 0.403 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.057 -4.459 1.300 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.333 -5.713 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.116 -4.483 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.310 -6.154 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.487 -3.586 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.056 -3.376 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.555 -2.882 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.340 -5.993 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.200 -6.647 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.232 -4.949 -2.537 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.228 -3.372 1.024 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.551 -2.780 1.144 1.00 0.00 C ATOM 1245 C ASN A 83 -5.442 -1.257 1.050 1.00 0.00 C ATOM 1246 O ASN A 83 -4.378 -0.695 1.302 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.145 -3.212 2.487 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.626 -2.895 2.581 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.466 -3.710 2.213 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.966 -1.714 3.076 1.00 0.00 N ATOM 0 H ASN A 83 -3.473 -2.751 1.317 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.203 -3.117 0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.994 -4.283 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.615 -2.710 3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.950 -1.460 3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.243 -1.058 3.373 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.532 -0.570 0.693 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.551 0.880 0.684 1.00 0.00 C ATOM 1259 C LEU A 84 -6.298 1.410 2.093 1.00 0.00 C ATOM 1260 O LEU A 84 -6.757 0.816 3.066 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.908 1.352 0.154 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.805 2.773 -0.395 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.109 2.742 -1.749 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.196 3.368 -0.578 1.00 0.00 C ATOM 0 H LEU A 84 -7.410 -1.004 0.407 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.764 1.263 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.253 0.678 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.649 1.318 0.953 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.238 3.381 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.034 3.756 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.109 2.323 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.684 2.126 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.110 4.381 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.765 2.756 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.710 3.393 0.383 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.574 2.524 2.215 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.219 3.084 3.513 1.00 0.00 C ATOM 1278 C ALA A 85 -6.413 3.699 4.251 1.00 0.00 C ATOM 1279 O ALA A 85 -6.248 4.173 5.376 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.130 4.135 3.318 1.00 0.00 C ATOM 0 H ALA A 85 -5.221 3.058 1.421 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.860 2.265 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.857 4.560 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.254 3.671 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.500 4.926 2.665 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.604 3.705 3.643 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.772 4.347 4.231 1.00 0.00 C ATOM 1288 C ALA A 86 -9.990 3.427 4.265 1.00 0.00 C ATOM 1289 O ALA A 86 -11.092 3.870 4.588 1.00 0.00 O ATOM 1290 CB ALA A 86 -9.066 5.632 3.462 1.00 0.00 C ATOM 0 H ALA A 86 -7.779 3.268 2.738 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.550 4.584 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.939 6.122 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.206 6.299 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.263 5.394 2.417 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.806 2.146 3.932 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.892 1.173 3.915 1.00 0.00 C ATOM 1298 C GLU A 87 -10.445 -0.164 4.506 1.00 0.00 C ATOM 1299 O GLU A 87 -10.584 -1.195 3.848 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.422 0.987 2.487 1.00 0.00 C ATOM 1301 CG GLU A 87 -12.057 2.273 1.948 1.00 0.00 C ATOM 1302 CD GLU A 87 -12.638 2.075 0.548 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.487 0.962 -0.008 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -13.237 3.047 0.031 1.00 0.00 O ATOM 0 H GLU A 87 -8.900 1.759 3.668 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.700 1.557 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.606 0.682 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.159 0.184 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.845 2.601 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.309 3.065 1.922 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.907 -0.177 5.734 1.00 0.00 N ATOM 1312 CA PRO A 88 -9.500 -1.404 6.392 1.00 0.00 C ATOM 1313 C PRO A 88 -10.721 -2.288 6.612 1.00 0.00 C ATOM 1314 O PRO A 88 -11.847 -1.797 6.707 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.850 -0.979 7.710 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.506 0.370 7.997 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.686 0.966 6.600 1.00 0.00 C ATOM 0 HA PRO A 88 -8.795 -1.987 5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.043 -1.699 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.768 -0.890 7.616 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.459 0.254 8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.877 0.999 8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.531 1.654 6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.805 1.529 6.294 1.00 0.00 H new ATOM 1325 N LYS A 89 -10.487 -3.599 6.688 1.00 0.00 N ATOM 1326 CA LYS A 89 -11.551 -4.584 6.745 1.00 0.00 C ATOM 1327 C LYS A 89 -11.332 -5.577 7.881 1.00 0.00 C ATOM 1328 O LYS A 89 -11.582 -5.252 9.038 1.00 0.00 O ATOM 1329 CB LYS A 89 -11.737 -5.227 5.361 1.00 0.00 C ATOM 1330 CG LYS A 89 -10.411 -5.563 4.655 1.00 0.00 C ATOM 1331 CD LYS A 89 -10.671 -6.253 3.315 1.00 0.00 C ATOM 1332 CE LYS A 89 -11.432 -5.334 2.361 1.00 0.00 C ATOM 1333 NZ LYS A 89 -11.626 -5.978 1.049 1.00 0.00 N ATOM 0 H LYS A 89 -9.550 -4.001 6.711 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.495 -4.096 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.323 -6.140 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.314 -4.551 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.837 -4.650 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.808 -6.210 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.723 -6.546 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.243 -7.167 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.400 -5.079 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.883 -4.401 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.145 -5.333 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.700 -6.199 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.170 -6.856 1.170 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.866 -6.782 7.552 1.00 0.00 N ATOM 1348 CA VAL A 90 -10.694 -7.866 8.512 1.00 0.00 C ATOM 1349 C VAL A 90 -9.366 -8.594 8.336 1.00 0.00 C ATOM 1350 O VAL A 90 -8.930 -9.312 9.232 1.00 0.00 O ATOM 1351 CB VAL A 90 -11.826 -8.880 8.336 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -13.127 -8.340 8.923 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -12.051 -9.249 6.864 1.00 0.00 C ATOM 0 H VAL A 90 -10.595 -7.033 6.601 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.709 -7.422 9.507 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.525 -9.781 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.920 -9.076 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.992 -8.143 9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.399 -7.415 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.864 -9.971 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.309 -8.353 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.140 -9.685 6.455 1.00 0.00 H new ATOM 1363 N ASN A 91 -8.722 -8.414 7.184 1.00 0.00 N ATOM 1364 CA ASN A 91 -7.490 -9.115 6.861 1.00 0.00 C ATOM 1365 C ASN A 91 -6.275 -8.512 7.568 1.00 0.00 C ATOM 1366 O ASN A 91 -5.177 -9.056 7.468 1.00 0.00 O ATOM 1367 CB ASN A 91 -7.298 -9.117 5.345 1.00 0.00 C ATOM 1368 CG ASN A 91 -8.541 -9.600 4.608 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -9.112 -8.873 3.802 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -8.967 -10.830 4.875 1.00 0.00 N ATOM 0 H ASN A 91 -9.042 -7.779 6.453 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.575 -10.140 7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.048 -8.110 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.454 -9.757 5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.794 -11.197 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.467 -11.407 5.551 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.453 -7.394 8.282 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.369 -6.750 9.007 1.00 0.00 C ATOM 1379 C ARG A 92 -5.100 -7.513 10.303 1.00 0.00 C ATOM 1380 O ARG A 92 -5.653 -7.188 11.353 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.711 -5.286 9.289 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.482 -4.620 9.913 1.00 0.00 C ATOM 1383 CD ARG A 92 -4.757 -3.163 10.266 1.00 0.00 C ATOM 1384 NE ARG A 92 -5.723 -3.052 11.365 1.00 0.00 N ATOM 1385 CZ ARG A 92 -5.390 -2.924 12.657 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -4.117 -2.872 13.040 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -6.346 -2.846 13.576 1.00 0.00 N ATOM 0 H ARG A 92 -7.351 -6.918 8.369 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.465 -6.767 8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.992 -4.777 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.564 -5.218 9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.188 -5.164 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.644 -4.676 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.825 -2.673 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.139 -2.640 9.389 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.715 -3.074 11.130 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.373 -2.930 12.345 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.885 -2.774 14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.326 -2.884 13.297 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.100 -2.749 14.561 1.00 0.00 H new ATOM 1401 N GLY A 93 -4.248 -8.533 10.218 1.00 0.00 N ATOM 1402 CA GLY A 93 -3.831 -9.325 11.358 1.00 0.00 C ATOM 1403 C GLY A 93 -2.410 -8.945 11.745 1.00 0.00 C ATOM 1404 O GLY A 93 -2.070 -7.765 11.739 1.00 0.00 O ATOM 0 H GLY A 93 -3.825 -8.831 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.505 -9.157 12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.882 -10.386 11.115 1.00 0.00 H new ATOM 1408 N LYS A 94 -1.580 -9.934 12.087 1.00 0.00 N ATOM 1409 CA LYS A 94 -0.191 -9.682 12.458 1.00 0.00 C ATOM 1410 C LYS A 94 0.772 -10.729 11.900 1.00 0.00 C ATOM 1411 O LYS A 94 1.975 -10.478 11.843 1.00 0.00 O ATOM 1412 CB LYS A 94 -0.100 -9.651 13.978 1.00 0.00 C ATOM 1413 CG LYS A 94 -0.784 -8.403 14.537 1.00 0.00 C ATOM 1414 CD LYS A 94 -0.500 -8.293 16.028 1.00 0.00 C ATOM 1415 CE LYS A 94 -1.194 -7.056 16.602 1.00 0.00 C ATOM 1416 NZ LYS A 94 -0.951 -6.927 18.050 1.00 0.00 N ATOM 0 H LYS A 94 -1.849 -10.917 12.114 1.00 0.00 H new ATOM 0 HA LYS A 94 0.107 -8.727 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.567 -10.544 14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.946 -9.666 14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.421 -7.514 14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.859 -8.456 14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.852 -9.188 16.541 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.575 -8.229 16.198 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.833 -6.164 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.266 -7.119 16.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.435 -6.079 18.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.318 -7.768 18.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.071 -6.843 18.224 1.00 0.00 H new ATOM 1430 N ALA A 95 0.267 -11.897 11.492 1.00 0.00 N ATOM 1431 CA ALA A 95 1.093 -12.962 10.949 1.00 0.00 C ATOM 1432 C ALA A 95 0.254 -13.909 10.092 1.00 0.00 C ATOM 1433 O ALA A 95 -0.953 -14.032 10.299 1.00 0.00 O ATOM 1434 CB ALA A 95 1.736 -13.732 12.101 1.00 0.00 C ATOM 0 H ALA A 95 -0.727 -12.124 11.532 1.00 0.00 H new ATOM 0 HA ALA A 95 1.868 -12.527 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.358 -14.533 11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.353 -13.055 12.692 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.957 -14.158 12.733 1.00 0.00 H new ATOM 1440 N GLY A 96 0.898 -14.577 9.132 1.00 0.00 N ATOM 1441 CA GLY A 96 0.249 -15.557 8.273 1.00 0.00 C ATOM 1442 C GLY A 96 0.180 -16.929 8.937 1.00 0.00 C ATOM 1443 O GLY A 96 -0.512 -17.820 8.441 1.00 0.00 O ATOM 0 H GLY A 96 1.890 -14.449 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.758 -15.219 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.794 -15.635 7.332 1.00 0.00 H new ATOM 1447 N VAL A 97 0.889 -17.104 10.058 1.00 0.00 N ATOM 1448 CA VAL A 97 0.852 -18.335 10.833 1.00 0.00 C ATOM 1449 C VAL A 97 0.088 -18.081 12.126 1.00 0.00 C ATOM 1450 O VAL A 97 0.229 -17.026 12.744 1.00 0.00 O ATOM 1451 CB VAL A 97 2.265 -18.878 11.061 1.00 0.00 C ATOM 1452 CG1 VAL A 97 3.109 -17.945 11.930 1.00 0.00 C ATOM 1453 CG2 VAL A 97 2.213 -20.261 11.715 1.00 0.00 C ATOM 0 H VAL A 97 1.504 -16.390 10.449 1.00 0.00 H new ATOM 0 HA VAL A 97 0.323 -19.113 10.283 1.00 0.00 H new ATOM 0 HB VAL A 97 2.734 -18.949 10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.103 -18.372 12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.194 -16.973 11.444 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.632 -17.823 12.903 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.227 -20.629 11.868 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.703 -20.190 12.676 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.671 -20.950 11.067 1.00 0.00 H new ATOM 1463 N LYS A 98 -0.726 -19.057 12.533 1.00 0.00 N ATOM 1464 CA LYS A 98 -1.580 -18.951 13.710 1.00 0.00 C ATOM 1465 C LYS A 98 -1.088 -19.875 14.821 1.00 0.00 C ATOM 1466 O LYS A 98 -1.863 -20.286 15.684 1.00 0.00 O ATOM 1467 CB LYS A 98 -3.035 -19.232 13.317 1.00 0.00 C ATOM 1468 CG LYS A 98 -3.465 -18.432 12.082 1.00 0.00 C ATOM 1469 CD LYS A 98 -3.339 -16.923 12.288 1.00 0.00 C ATOM 1470 CE LYS A 98 -3.679 -16.201 10.983 1.00 0.00 C ATOM 1471 NZ LYS A 98 -3.593 -14.737 11.144 1.00 0.00 N ATOM 0 H LYS A 98 -0.809 -19.950 12.048 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.532 -17.936 14.106 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.157 -20.297 13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.690 -18.986 14.153 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.855 -18.731 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.498 -18.677 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.010 -16.596 13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.326 -16.671 12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.996 -16.524 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.684 -16.476 10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.324 -14.280 10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.740 -14.488 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.654 -14.409 10.840 1.00 0.00 H new ATOM 1485 N ARG A 99 0.207 -20.203 14.798 1.00 0.00 N ATOM 1486 CA ARG A 99 0.831 -21.118 15.737 1.00 0.00 C ATOM 1487 C ARG A 99 2.201 -20.583 16.155 1.00 0.00 C ATOM 1488 O ARG A 99 2.696 -19.619 15.573 1.00 0.00 O ATOM 1489 CB ARG A 99 0.942 -22.490 15.065 1.00 0.00 C ATOM 1490 CG ARG A 99 0.941 -23.647 16.068 1.00 0.00 C ATOM 1491 CD ARG A 99 -0.401 -23.737 16.795 1.00 0.00 C ATOM 1492 NE ARG A 99 -1.493 -24.064 15.873 1.00 0.00 N ATOM 1493 CZ ARG A 99 -2.790 -23.986 16.187 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -3.175 -23.600 17.399 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -3.713 -24.299 15.281 1.00 0.00 N ATOM 0 H ARG A 99 0.858 -19.828 14.108 1.00 0.00 H new ATOM 0 HA ARG A 99 0.231 -21.212 16.642 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.111 -22.617 14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.858 -22.527 14.476 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.141 -24.584 15.549 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.743 -23.506 16.793 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.343 -24.496 17.575 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.612 -22.788 17.289 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.247 -24.371 14.932 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.477 -23.359 18.103 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.168 -23.545 17.625 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.431 -24.598 14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.703 -24.240 15.520 1.00 0.00 H new ATOM 1509 N SER A 100 2.813 -21.211 17.161 1.00 0.00 N ATOM 1510 CA SER A 100 4.129 -20.836 17.657 1.00 0.00 C ATOM 1511 C SER A 100 5.223 -21.053 16.612 1.00 0.00 C ATOM 1512 O SER A 100 6.334 -20.552 16.782 1.00 0.00 O ATOM 1513 CB SER A 100 4.436 -21.679 18.891 1.00 0.00 C ATOM 1514 OG SER A 100 3.532 -21.360 19.933 1.00 0.00 O ATOM 0 H SER A 100 2.401 -22.002 17.656 1.00 0.00 H new ATOM 0 HA SER A 100 4.115 -19.773 17.898 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.361 -22.738 18.645 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.460 -21.499 19.219 1.00 0.00 H new ATOM 0 HG SER A 100 3.735 -21.907 20.721 1.00 0.00 H new ATOM 1520 N ALA A 101 4.916 -21.800 15.544 1.00 0.00 N ATOM 1521 CA ALA A 101 5.875 -22.170 14.509 1.00 0.00 C ATOM 1522 C ALA A 101 7.135 -22.830 15.082 1.00 0.00 C ATOM 1523 O ALA A 101 8.149 -22.936 14.393 1.00 0.00 O ATOM 1524 CB ALA A 101 6.188 -20.957 13.630 1.00 0.00 C ATOM 0 H ALA A 101 3.979 -22.167 15.377 1.00 0.00 H new ATOM 0 HA ALA A 101 5.418 -22.933 13.879 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.905 -21.241 12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.271 -20.602 13.159 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.611 -20.162 14.244 1.00 0.00 H new ATOM 1530 N ALA A 102 7.073 -23.273 16.341 1.00 0.00 N ATOM 1531 CA ALA A 102 8.196 -23.889 17.034 1.00 0.00 C ATOM 1532 C ALA A 102 7.707 -24.926 18.048 1.00 0.00 C ATOM 1533 O ALA A 102 8.462 -25.343 18.925 1.00 0.00 O ATOM 1534 CB ALA A 102 9.031 -22.802 17.711 1.00 0.00 C ATOM 0 H ALA A 102 6.229 -23.211 16.910 1.00 0.00 H new ATOM 0 HA ALA A 102 8.821 -24.413 16.311 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.872 -23.260 18.231 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.404 -22.108 16.958 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.413 -22.262 18.428 1.00 0.00 H new ATOM 1540 N GLU A 103 6.443 -25.346 17.934 1.00 0.00 N ATOM 1541 CA GLU A 103 5.828 -26.275 18.876 1.00 0.00 C ATOM 1542 C GLU A 103 6.407 -27.688 18.769 1.00 0.00 C ATOM 1543 O GLU A 103 6.067 -28.558 19.566 1.00 0.00 O ATOM 1544 CB GLU A 103 4.312 -26.292 18.665 1.00 0.00 C ATOM 1545 CG GLU A 103 3.936 -26.680 17.231 1.00 0.00 C ATOM 1546 CD GLU A 103 2.430 -26.883 17.074 1.00 0.00 C ATOM 1547 OE1 GLU A 103 1.672 -26.278 17.865 1.00 0.00 O ATOM 1548 OE2 GLU A 103 2.045 -27.646 16.160 1.00 0.00 O ATOM 0 H GLU A 103 5.820 -25.048 17.183 1.00 0.00 H new ATOM 0 HA GLU A 103 6.053 -25.924 19.883 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.857 -26.996 19.362 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.903 -25.308 18.893 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.271 -25.903 16.544 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.457 -27.596 16.954 1.00 0.00 H new ATOM 1555 N MET A 104 7.286 -27.917 17.788 1.00 0.00 N ATOM 1556 CA MET A 104 7.940 -29.205 17.576 1.00 0.00 C ATOM 1557 C MET A 104 9.397 -29.166 18.034 1.00 0.00 C ATOM 1558 O MET A 104 10.141 -30.118 17.810 1.00 0.00 O ATOM 1559 CB MET A 104 7.822 -29.602 16.105 1.00 0.00 C ATOM 1560 CG MET A 104 6.356 -29.820 15.734 1.00 0.00 C ATOM 1561 SD MET A 104 6.074 -30.249 13.997 1.00 0.00 S ATOM 1562 CE MET A 104 6.551 -28.678 13.228 1.00 0.00 C ATOM 0 H MET A 104 7.564 -27.204 17.114 1.00 0.00 H new ATOM 0 HA MET A 104 7.440 -29.962 18.180 1.00 0.00 H new ATOM 0 HB2 MET A 104 8.252 -28.824 15.475 1.00 0.00 H new ATOM 0 HB3 MET A 104 8.391 -30.513 15.920 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.950 -30.614 16.361 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.797 -28.913 15.966 1.00 0.00 H new ATOM 0 HE1 MET A 104 6.181 -28.648 12.203 1.00 0.00 H new ATOM 0 HE2 MET A 104 6.122 -27.851 13.793 1.00 0.00 H new ATOM 0 HE3 MET A 104 7.637 -28.590 13.225 1.00 0.00 H new ATOM 1572 N TYR A 105 9.810 -28.066 18.674 1.00 0.00 N ATOM 1573 CA TYR A 105 11.180 -27.875 19.128 1.00 0.00 C ATOM 1574 C TYR A 105 11.234 -27.354 20.566 1.00 0.00 C ATOM 1575 O TYR A 105 12.313 -27.064 21.079 1.00 0.00 O ATOM 1576 CB TYR A 105 11.896 -26.919 18.176 1.00 0.00 C ATOM 1577 CG TYR A 105 11.816 -27.338 16.726 1.00 0.00 C ATOM 1578 CD1 TYR A 105 12.763 -28.223 16.193 1.00 0.00 C ATOM 1579 CD2 TYR A 105 10.785 -26.840 15.916 1.00 0.00 C ATOM 1580 CE1 TYR A 105 12.683 -28.614 14.848 1.00 0.00 C ATOM 1581 CE2 TYR A 105 10.696 -27.224 14.573 1.00 0.00 C ATOM 1582 CZ TYR A 105 11.647 -28.114 14.035 1.00 0.00 C ATOM 1583 OH TYR A 105 11.563 -28.491 12.727 1.00 0.00 O ATOM 0 H TYR A 105 9.194 -27.282 18.890 1.00 0.00 H new ATOM 0 HA TYR A 105 11.685 -28.841 19.123 1.00 0.00 H new ATOM 0 HB2 TYR A 105 11.466 -25.923 18.282 1.00 0.00 H new ATOM 0 HB3 TYR A 105 12.944 -26.846 18.467 1.00 0.00 H new ATOM 0 HD1 TYR A 105 13.556 -28.605 16.819 1.00 0.00 H new ATOM 0 HD2 TYR A 105 10.057 -26.158 16.330 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.413 -29.296 14.437 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.901 -26.840 13.951 1.00 0.00 H new ATOM 0 HH TYR A 105 10.790 -28.056 12.310 1.00 0.00 H new ATOM 1593 N GLY A 106 10.072 -27.230 21.221 1.00 0.00 N ATOM 1594 CA GLY A 106 9.983 -26.752 22.592 1.00 0.00 C ATOM 1595 C GLY A 106 8.537 -26.767 23.069 1.00 0.00 C ATOM 1596 O GLY A 106 7.640 -27.149 22.321 1.00 0.00 O ATOM 1597 OXT GLY A 106 8.239 -26.404 24.194 1.00 0.00 O ATOM 0 H GLY A 106 9.169 -27.461 20.807 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.593 -27.379 23.242 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.383 -25.740 22.657 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 2.243 -7.162 11.349 1.00 0.00 O ATOM 1603 C5' U B 1 2.947 -6.126 10.694 1.00 0.00 C ATOM 1604 C4' U B 1 2.001 -5.090 10.079 1.00 0.00 C ATOM 1605 O4' U B 1 1.375 -5.642 8.929 1.00 0.00 O ATOM 1606 C3' U B 1 0.918 -4.646 11.063 1.00 0.00 C ATOM 1607 O3' U B 1 0.631 -3.278 10.842 1.00 0.00 O ATOM 1608 C2' U B 1 -0.224 -5.567 10.653 1.00 0.00 C ATOM 1609 O2' U B 1 -1.506 -5.071 10.977 1.00 0.00 O ATOM 1610 C1' U B 1 -0.021 -5.681 9.149 1.00 0.00 C ATOM 1611 N1 U B 1 -0.623 -6.940 8.655 1.00 0.00 N ATOM 1612 C2 U B 1 -1.709 -6.863 7.795 1.00 0.00 C ATOM 1613 O2 U B 1 -2.174 -5.795 7.411 1.00 0.00 O ATOM 1614 N3 U B 1 -2.254 -8.070 7.383 1.00 0.00 N ATOM 1615 C4 U B 1 -1.819 -9.328 7.766 1.00 0.00 C ATOM 1616 O4 U B 1 -2.380 -10.339 7.359 1.00 0.00 O ATOM 1617 C5 U B 1 -0.683 -9.311 8.658 1.00 0.00 C ATOM 1618 C6 U B 1 -0.126 -8.147 9.059 1.00 0.00 C ATOM 0 H5' U B 1 3.575 -6.553 9.912 1.00 0.00 H new ATOM 0 H5'' U B 1 3.612 -5.634 11.404 1.00 0.00 H new ATOM 0 H4' U B 1 2.599 -4.218 9.814 1.00 0.00 H new ATOM 0 H3' U B 1 1.160 -4.717 12.123 1.00 0.00 H new ATOM 0 H2' U B 1 -0.197 -6.519 11.182 1.00 0.00 H new ATOM 0 HO2' U B 1 -2.068 -5.805 11.303 1.00 0.00 H new ATOM 0 HO5' U B 1 2.881 -7.803 11.726 1.00 0.00 H new ATOM 0 H1' U B 1 -0.507 -4.869 8.607 1.00 0.00 H new ATOM 0 H3 U B 1 -3.045 -8.027 6.741 1.00 0.00 H new ATOM 0 H5 U B 1 -0.272 -10.245 9.011 1.00 0.00 H new ATOM 0 H6 U B 1 0.732 -8.171 9.714 1.00 0.00 H new ATOM 1629 P U B 2 -0.182 -2.409 11.929 1.00 0.00 P ATOM 1630 OP1 U B 2 0.432 -2.631 13.256 1.00 0.00 O ATOM 1631 OP2 U B 2 -1.629 -2.655 11.734 1.00 0.00 O ATOM 1632 O5' U B 2 0.119 -0.896 11.492 1.00 0.00 O ATOM 1633 C5' U B 2 -0.352 -0.417 10.252 1.00 0.00 C ATOM 1634 C4' U B 2 -0.272 1.107 10.180 1.00 0.00 C ATOM 1635 O4' U B 2 -0.926 1.523 8.989 1.00 0.00 O ATOM 1636 C3' U B 2 -1.045 1.742 11.340 1.00 0.00 C ATOM 1637 O3' U B 2 -0.666 3.091 11.549 1.00 0.00 O ATOM 1638 C2' U B 2 -2.459 1.695 10.786 1.00 0.00 C ATOM 1639 O2' U B 2 -3.307 2.617 11.434 1.00 0.00 O ATOM 1640 C1' U B 2 -2.204 2.038 9.322 1.00 0.00 C ATOM 1641 N1 U B 2 -3.272 1.536 8.427 1.00 0.00 N ATOM 1642 C2 U B 2 -3.872 2.459 7.580 1.00 0.00 C ATOM 1643 O2 U B 2 -3.541 3.641 7.543 1.00 0.00 O ATOM 1644 N3 U B 2 -4.883 1.985 6.763 1.00 0.00 N ATOM 1645 C4 U B 2 -5.330 0.679 6.706 1.00 0.00 C ATOM 1646 O4 U B 2 -6.225 0.363 5.927 1.00 0.00 O ATOM 1647 C5 U B 2 -4.658 -0.217 7.617 1.00 0.00 C ATOM 1648 C6 U B 2 -3.671 0.223 8.432 1.00 0.00 C ATOM 0 H5' U B 2 -1.384 -0.737 10.104 1.00 0.00 H new ATOM 0 H5'' U B 2 0.236 -0.853 9.444 1.00 0.00 H new ATOM 0 H4' U B 2 0.776 1.406 10.215 1.00 0.00 H new ATOM 0 H3' U B 2 -0.889 1.244 12.297 1.00 0.00 H new ATOM 0 H2' U B 2 -2.977 0.746 10.928 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.766 3.305 11.875 1.00 0.00 H new ATOM 0 H1' U B 2 -2.219 3.119 9.181 1.00 0.00 H new ATOM 0 H3 U B 2 -5.339 2.660 6.148 1.00 0.00 H new ATOM 0 H5 U B 2 -4.948 -1.257 7.649 1.00 0.00 H new ATOM 0 H6 U B 2 -3.187 -0.474 9.100 1.00 0.00 H new ATOM 1659 P U B 3 0.575 3.493 12.496 1.00 0.00 P ATOM 1660 OP1 U B 3 1.060 2.280 13.196 1.00 0.00 O ATOM 1661 OP2 U B 3 0.159 4.671 13.289 1.00 0.00 O ATOM 1662 O5' U B 3 1.715 3.981 11.469 1.00 0.00 O ATOM 1663 C5' U B 3 2.795 3.149 11.107 1.00 0.00 C ATOM 1664 C4' U B 3 3.759 3.885 10.178 1.00 0.00 C ATOM 1665 O4' U B 3 3.211 3.997 8.871 1.00 0.00 O ATOM 1666 C3' U B 3 4.049 5.293 10.697 1.00 0.00 C ATOM 1667 O3' U B 3 5.396 5.623 10.424 1.00 0.00 O ATOM 1668 C2' U B 3 3.076 6.143 9.885 1.00 0.00 C ATOM 1669 O2' U B 3 3.568 7.447 9.662 1.00 0.00 O ATOM 1670 C1' U B 3 2.957 5.360 8.583 1.00 0.00 C ATOM 1671 N1 U B 3 1.627 5.527 7.959 1.00 0.00 N ATOM 1672 C2 U B 3 1.580 6.077 6.688 1.00 0.00 C ATOM 1673 O2 U B 3 2.592 6.401 6.069 1.00 0.00 O ATOM 1674 N3 U B 3 0.324 6.250 6.136 1.00 0.00 N ATOM 1675 C4 U B 3 -0.878 5.905 6.732 1.00 0.00 C ATOM 1676 O4 U B 3 -1.933 6.098 6.140 1.00 0.00 O ATOM 1677 C5 U B 3 -0.738 5.324 8.047 1.00 0.00 C ATOM 1678 C6 U B 3 0.480 5.155 8.613 1.00 0.00 C ATOM 0 H5' U B 3 2.420 2.253 10.613 1.00 0.00 H new ATOM 0 H5'' U B 3 3.324 2.822 12.002 1.00 0.00 H new ATOM 0 H4' U B 3 4.682 3.306 10.146 1.00 0.00 H new ATOM 0 H3' U B 3 3.922 5.425 11.772 1.00 0.00 H new ATOM 0 H2' U B 3 2.122 6.297 10.389 1.00 0.00 H new ATOM 0 HO2' U B 3 3.958 7.796 10.491 1.00 0.00 H new ATOM 0 H1' U B 3 3.683 5.740 7.864 1.00 0.00 H new ATOM 0 H3 U B 3 0.279 6.669 5.207 1.00 0.00 H new ATOM 0 H5 U B 3 -1.621 5.019 8.589 1.00 0.00 H new ATOM 0 H6 U B 3 0.550 4.719 9.599 1.00 0.00 H new ATOM 1689 P U B 4 6.200 6.646 11.369 1.00 0.00 P ATOM 1690 OP1 U B 4 6.580 5.935 12.610 1.00 0.00 O ATOM 1691 OP2 U B 4 5.436 7.913 11.452 1.00 0.00 O ATOM 1692 O5' U B 4 7.527 6.912 10.502 1.00 0.00 O ATOM 1693 C5' U B 4 8.454 5.868 10.283 1.00 0.00 C ATOM 1694 C4' U B 4 9.512 6.274 9.257 1.00 0.00 C ATOM 1695 O4' U B 4 8.891 6.607 8.023 1.00 0.00 O ATOM 1696 C3' U B 4 10.304 7.489 9.741 1.00 0.00 C ATOM 1697 O3' U B 4 11.653 7.423 9.311 1.00 0.00 O ATOM 1698 C2' U B 4 9.581 8.632 9.046 1.00 0.00 C ATOM 1699 O2' U B 4 10.437 9.736 8.835 1.00 0.00 O ATOM 1700 C1' U B 4 9.101 7.983 7.747 1.00 0.00 C ATOM 1701 N1 U B 4 7.875 8.668 7.283 1.00 0.00 N ATOM 1702 C2 U B 4 8.041 9.816 6.524 1.00 0.00 C ATOM 1703 O2 U B 4 9.148 10.239 6.191 1.00 0.00 O ATOM 1704 N3 U B 4 6.888 10.480 6.152 1.00 0.00 N ATOM 1705 C4 U B 4 5.598 10.064 6.416 1.00 0.00 C ATOM 1706 O4 U B 4 4.644 10.710 5.994 1.00 0.00 O ATOM 1707 C5 U B 4 5.510 8.852 7.194 1.00 0.00 C ATOM 1708 C6 U B 4 6.625 8.206 7.599 1.00 0.00 C ATOM 0 H5' U B 4 7.929 4.979 9.935 1.00 0.00 H new ATOM 0 H5'' U B 4 8.938 5.605 11.224 1.00 0.00 H new ATOM 0 H4' U B 4 10.188 5.429 9.125 1.00 0.00 H new ATOM 0 H3' U B 4 10.346 7.579 10.826 1.00 0.00 H new ATOM 0 H2' U B 4 8.760 9.054 9.625 1.00 0.00 H new ATOM 0 HO2' U B 4 10.215 10.164 7.982 1.00 0.00 H new ATOM 0 H1' U B 4 9.831 8.074 6.943 1.00 0.00 H new ATOM 0 H3 U B 4 6.999 11.354 5.637 1.00 0.00 H new ATOM 0 H5 U B 4 4.540 8.456 7.456 1.00 0.00 H new ATOM 0 H6 U B 4 6.529 7.304 8.186 1.00 0.00 H new ATOM 1719 P C B 5 12.704 6.425 10.020 1.00 0.00 P ATOM 1720 OP1 C B 5 12.304 6.258 11.435 1.00 0.00 O ATOM 1721 OP2 C B 5 14.070 6.900 9.704 1.00 0.00 O ATOM 1722 O5' C B 5 12.457 5.022 9.264 1.00 0.00 O ATOM 1723 C5' C B 5 13.025 4.761 7.995 1.00 0.00 C ATOM 1724 C4' C B 5 14.474 4.286 8.129 1.00 0.00 C ATOM 1725 O4' C B 5 14.500 2.914 8.507 1.00 0.00 O ATOM 1726 C3' C B 5 15.164 4.383 6.770 1.00 0.00 C ATOM 1727 O3' C B 5 16.558 4.522 6.961 1.00 0.00 O ATOM 1728 C2' C B 5 14.826 3.024 6.176 1.00 0.00 C ATOM 1729 O2' C B 5 15.724 2.651 5.150 1.00 0.00 O ATOM 1730 C1' C B 5 14.951 2.136 7.408 1.00 0.00 C ATOM 1731 N1 C B 5 14.234 0.850 7.194 1.00 0.00 N ATOM 1732 C2 C B 5 12.918 0.689 7.631 1.00 0.00 C ATOM 1733 O2 C B 5 12.314 1.585 8.217 1.00 0.00 O ATOM 1734 N3 C B 5 12.298 -0.497 7.395 1.00 0.00 N ATOM 1735 C4 C B 5 12.928 -1.484 6.760 1.00 0.00 C ATOM 1736 N4 C B 5 12.267 -2.619 6.547 1.00 0.00 N ATOM 1737 C5 C B 5 14.275 -1.348 6.306 1.00 0.00 C ATOM 1738 C6 C B 5 14.885 -0.164 6.545 1.00 0.00 C ATOM 0 H5' C B 5 12.989 5.663 7.384 1.00 0.00 H new ATOM 0 H5'' C B 5 12.436 4.003 7.478 1.00 0.00 H new ATOM 0 H4' C B 5 14.973 4.904 8.875 1.00 0.00 H new ATOM 0 H3' C B 5 14.858 5.224 6.148 1.00 0.00 H new ATOM 0 H2' C B 5 13.853 2.976 5.686 1.00 0.00 H new ATOM 0 HO2' C B 5 15.824 1.676 5.142 1.00 0.00 H new ATOM 0 HO3' C B 5 17.030 3.857 6.419 1.00 0.00 H new ATOM 0 H1' C B 5 15.975 1.827 7.615 1.00 0.00 H new ATOM 0 H41 C B 5 12.724 -3.392 6.063 1.00 0.00 H new ATOM 0 H42 C B 5 11.304 -2.716 6.867 1.00 0.00 H new ATOM 0 H5 C B 5 14.783 -2.153 5.796 1.00 0.00 H new ATOM 0 H6 C B 5 15.904 -0.017 6.218 1.00 0.00 H new TER 1750 C B 5