USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0493 (180deg=-0.489) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.1 USER MOD Single : A 11 MET CE :methyl 164:sc= -0.387 (180deg=-1.15) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -43:sc= 1.14 USER MOD Single : A 26 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.21) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.247 USER MOD Single : A 32 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.083) USER MOD Single : A 35 ASN : amide:sc= -0.757 K(o=-0.76,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0147 USER MOD Single : A 54 THR OG1 : rot 67:sc= 0.308 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -171:sc= -1.89 (180deg=-2.57!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00106 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.525 USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= -0.331 (180deg=-1.28) USER MOD Single : A 79 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=-1.8) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.031 8.442 1.717 1.00 0.00 N ATOM 2 CA MET A 1 -12.120 7.545 1.350 1.00 0.00 C ATOM 3 C MET A 1 -12.044 7.173 -0.128 1.00 0.00 C ATOM 4 O MET A 1 -12.211 8.024 -1.000 1.00 0.00 O ATOM 5 CB MET A 1 -13.471 8.197 1.655 1.00 0.00 C ATOM 6 CG MET A 1 -13.532 8.857 3.022 1.00 0.00 C ATOM 7 SD MET A 1 -15.167 9.515 3.403 1.00 0.00 S ATOM 8 CE MET A 1 -14.887 11.269 3.178 1.00 0.00 C ATOM 0 H1 MET A 1 -10.903 8.428 2.749 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.153 8.130 1.255 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.259 9.409 1.409 1.00 0.00 H new ATOM 0 HA MET A 1 -12.022 6.634 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.686 8.943 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.253 7.440 1.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.250 8.131 3.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.801 9.664 3.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.810 11.813 3.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.111 11.605 3.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.569 11.458 2.153 1.00 0.00 H new ATOM 16 N ALA A 2 -11.790 5.897 -0.400 1.00 0.00 N ATOM 17 CA ALA A 2 -11.694 5.413 -1.771 1.00 0.00 C ATOM 18 C ALA A 2 -12.302 4.022 -1.907 1.00 0.00 C ATOM 19 O ALA A 2 -12.896 3.499 -0.963 1.00 0.00 O ATOM 20 CB ALA A 2 -10.242 5.403 -2.226 1.00 0.00 C ATOM 0 H ALA A 2 -11.647 5.180 0.311 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.260 6.091 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.185 5.039 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.838 6.414 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.662 4.748 -1.576 1.00 0.00 H new ATOM 26 N ARG A 3 -12.151 3.428 -3.086 1.00 0.00 N ATOM 27 CA ARG A 3 -12.688 2.097 -3.345 1.00 0.00 C ATOM 28 C ARG A 3 -11.584 1.045 -3.294 1.00 0.00 C ATOM 29 O ARG A 3 -11.478 0.287 -2.333 1.00 0.00 O ATOM 30 CB ARG A 3 -13.381 2.059 -4.709 1.00 0.00 C ATOM 31 CG ARG A 3 -14.576 2.992 -4.810 1.00 0.00 C ATOM 32 CD ARG A 3 -15.644 2.432 -5.736 1.00 0.00 C ATOM 33 NE ARG A 3 -15.306 2.629 -7.143 1.00 0.00 N ATOM 34 CZ ARG A 3 -16.187 2.532 -8.132 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.454 2.242 -7.868 1.00 0.00 N ATOM 36 NH2 ARG A 3 -15.803 2.725 -9.387 1.00 0.00 N ATOM 0 H ARG A 3 -11.662 3.847 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.418 1.870 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.659 2.322 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.708 1.039 -4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.000 3.151 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.249 3.965 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.772 1.368 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.598 2.913 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.339 2.854 -7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.753 2.093 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.129 2.168 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.829 2.948 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.481 2.650 -10.145 1.00 0.00 H new ATOM 47 N GLY A 4 -10.762 1.007 -4.340 1.00 0.00 N ATOM 48 CA GLY A 4 -9.677 0.045 -4.396 1.00 0.00 C ATOM 49 C GLY A 4 -10.059 -1.217 -5.145 1.00 0.00 C ATOM 50 O GLY A 4 -11.212 -1.644 -5.107 1.00 0.00 O ATOM 0 H GLY A 4 -10.829 1.625 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.814 0.503 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.374 -0.216 -3.382 1.00 0.00 H new ATOM 54 N SER A 5 -9.088 -1.814 -5.828 1.00 0.00 N ATOM 55 CA SER A 5 -9.329 -3.032 -6.594 1.00 0.00 C ATOM 56 C SER A 5 -8.560 -4.207 -5.999 1.00 0.00 C ATOM 57 O SER A 5 -7.348 -4.326 -6.180 1.00 0.00 O ATOM 58 CB SER A 5 -8.925 -2.829 -8.055 1.00 0.00 C ATOM 59 OG SER A 5 -9.213 -1.510 -8.485 1.00 0.00 O ATOM 0 H SER A 5 -8.127 -1.475 -5.867 1.00 0.00 H new ATOM 0 HA SER A 5 -10.395 -3.257 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.860 -3.029 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.454 -3.544 -8.685 1.00 0.00 H new ATOM 0 HG SER A 5 -8.944 -1.405 -9.421 1.00 0.00 H new ATOM 64 N VAL A 6 -9.273 -5.076 -5.290 1.00 0.00 N ATOM 65 CA VAL A 6 -8.660 -6.245 -4.670 1.00 0.00 C ATOM 66 C VAL A 6 -9.716 -7.258 -4.243 1.00 0.00 C ATOM 67 O VAL A 6 -10.858 -6.898 -3.960 1.00 0.00 O ATOM 68 CB VAL A 6 -7.816 -5.850 -3.443 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.591 -6.103 -2.159 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.498 -6.609 -3.438 1.00 0.00 C ATOM 0 H VAL A 6 -10.277 -4.993 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.010 -6.697 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.595 -4.784 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.979 -5.818 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.506 -5.511 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.843 -7.161 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.914 -6.318 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.695 -7.680 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.939 -6.373 -4.343 1.00 0.00 H new ATOM 80 N SER A 7 -9.326 -8.528 -4.198 1.00 0.00 N ATOM 81 CA SER A 7 -10.239 -9.595 -3.809 1.00 0.00 C ATOM 82 C SER A 7 -10.860 -9.307 -2.444 1.00 0.00 C ATOM 83 O SER A 7 -10.229 -8.702 -1.578 1.00 0.00 O ATOM 84 CB SER A 7 -9.505 -10.937 -3.775 1.00 0.00 C ATOM 85 OG SER A 7 -9.206 -11.322 -2.444 1.00 0.00 O ATOM 0 H SER A 7 -8.383 -8.843 -4.426 1.00 0.00 H new ATOM 0 HA SER A 7 -11.037 -9.645 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.119 -11.703 -4.249 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.583 -10.865 -4.352 1.00 0.00 H new ATOM 0 HG SER A 7 -8.739 -12.183 -2.450 1.00 0.00 H new ATOM 90 N ASP A 8 -12.101 -9.747 -2.262 1.00 0.00 N ATOM 91 CA ASP A 8 -12.808 -9.539 -1.004 1.00 0.00 C ATOM 92 C ASP A 8 -11.943 -9.956 0.181 1.00 0.00 C ATOM 93 O ASP A 8 -11.749 -9.187 1.121 1.00 0.00 O ATOM 94 CB ASP A 8 -14.121 -10.325 -0.996 1.00 0.00 C ATOM 95 CG ASP A 8 -15.317 -9.454 -1.326 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.300 -9.481 -0.556 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.271 -8.747 -2.355 1.00 0.00 O ATOM 0 H ASP A 8 -12.637 -10.249 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.030 -8.476 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.058 -11.140 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.264 -10.778 -0.015 1.00 0.00 H new ATOM 101 N GLU A 9 -11.428 -11.182 0.129 1.00 0.00 N ATOM 102 CA GLU A 9 -10.586 -11.702 1.200 1.00 0.00 C ATOM 103 C GLU A 9 -9.493 -10.702 1.566 1.00 0.00 C ATOM 104 O GLU A 9 -9.412 -10.247 2.708 1.00 0.00 O ATOM 105 CB GLU A 9 -9.956 -13.032 0.783 1.00 0.00 C ATOM 106 CG GLU A 9 -10.773 -14.246 1.192 1.00 0.00 C ATOM 107 CD GLU A 9 -10.093 -15.554 0.834 1.00 0.00 C ATOM 108 OE1 GLU A 9 -10.724 -16.380 0.141 1.00 0.00 O ATOM 109 OE2 GLU A 9 -8.931 -15.752 1.247 1.00 0.00 O ATOM 0 H GLU A 9 -11.579 -11.832 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.215 -11.865 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.826 -13.040 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.962 -13.108 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.950 -14.215 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.748 -14.203 0.707 1.00 0.00 H new ATOM 114 N GLU A 10 -8.656 -10.366 0.591 1.00 0.00 N ATOM 115 CA GLU A 10 -7.566 -9.422 0.812 1.00 0.00 C ATOM 116 C GLU A 10 -8.100 -8.084 1.319 1.00 0.00 C ATOM 117 O GLU A 10 -7.701 -7.607 2.380 1.00 0.00 O ATOM 118 CB GLU A 10 -6.775 -9.210 -0.480 1.00 0.00 C ATOM 119 CG GLU A 10 -5.483 -10.007 -0.540 1.00 0.00 C ATOM 120 CD GLU A 10 -5.622 -11.391 0.065 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.718 -11.800 0.823 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.636 -12.064 -0.219 1.00 0.00 O ATOM 0 H GLU A 10 -8.711 -10.733 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.904 -9.841 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.401 -9.485 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.543 -8.150 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.165 -10.099 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.699 -9.462 -0.014 1.00 0.00 H new ATOM 127 N MET A 11 -9.005 -7.486 0.551 1.00 0.00 N ATOM 128 CA MET A 11 -9.594 -6.205 0.922 1.00 0.00 C ATOM 129 C MET A 11 -9.837 -6.133 2.426 1.00 0.00 C ATOM 130 O MET A 11 -9.540 -5.124 3.065 1.00 0.00 O ATOM 131 CB MET A 11 -10.909 -5.987 0.171 1.00 0.00 C ATOM 132 CG MET A 11 -11.332 -4.528 0.095 1.00 0.00 C ATOM 133 SD MET A 11 -10.139 -3.503 -0.788 1.00 0.00 S ATOM 134 CE MET A 11 -10.647 -1.867 -0.267 1.00 0.00 C ATOM 0 H MET A 11 -9.346 -7.868 -0.331 1.00 0.00 H new ATOM 0 HA MET A 11 -8.892 -5.418 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.810 -6.381 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.697 -6.560 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.300 -4.460 -0.401 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.463 -4.139 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.854 -1.152 -0.488 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.553 -1.580 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.843 -1.871 0.805 1.00 0.00 H new ATOM 142 N MET A 12 -10.379 -7.210 2.986 1.00 0.00 N ATOM 143 CA MET A 12 -10.660 -7.269 4.415 1.00 0.00 C ATOM 144 C MET A 12 -9.367 -7.299 5.223 1.00 0.00 C ATOM 145 O MET A 12 -9.213 -6.555 6.191 1.00 0.00 O ATOM 146 CB MET A 12 -11.508 -8.500 4.739 1.00 0.00 C ATOM 147 CG MET A 12 -11.715 -8.721 6.229 1.00 0.00 C ATOM 148 SD MET A 12 -12.552 -7.337 7.027 1.00 0.00 S ATOM 149 CE MET A 12 -13.779 -8.202 8.004 1.00 0.00 C ATOM 0 H MET A 12 -10.632 -8.053 2.471 1.00 0.00 H new ATOM 0 HA MET A 12 -11.216 -6.372 4.688 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.480 -8.398 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.031 -9.382 4.312 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.298 -9.629 6.380 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.748 -8.880 6.707 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.379 -7.480 8.558 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.426 -8.782 7.345 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.280 -8.872 8.704 1.00 0.00 H new ATOM 157 N GLU A 13 -8.442 -8.165 4.819 1.00 0.00 N ATOM 158 CA GLU A 13 -7.163 -8.292 5.508 1.00 0.00 C ATOM 159 C GLU A 13 -6.320 -7.033 5.325 1.00 0.00 C ATOM 160 O GLU A 13 -5.970 -6.360 6.296 1.00 0.00 O ATOM 161 CB GLU A 13 -6.399 -9.511 4.989 1.00 0.00 C ATOM 162 CG GLU A 13 -6.661 -10.778 5.785 1.00 0.00 C ATOM 163 CD GLU A 13 -6.314 -12.036 5.012 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.275 -13.120 5.630 1.00 0.00 O ATOM 165 OE2 GLU A 13 -6.083 -11.936 3.789 1.00 0.00 O ATOM 0 H GLU A 13 -8.555 -8.788 4.019 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.363 -8.423 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.671 -9.683 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.331 -9.295 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.079 -10.750 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.712 -10.811 6.072 1.00 0.00 H new ATOM 170 N LEU A 14 -5.996 -6.722 4.075 1.00 0.00 N ATOM 171 CA LEU A 14 -5.193 -5.544 3.764 1.00 0.00 C ATOM 172 C LEU A 14 -5.700 -4.323 4.524 1.00 0.00 C ATOM 173 O LEU A 14 -4.921 -3.594 5.139 1.00 0.00 O ATOM 174 CB LEU A 14 -5.216 -5.270 2.260 1.00 0.00 C ATOM 175 CG LEU A 14 -5.075 -6.492 1.352 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.813 -6.064 -0.084 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.961 -7.401 1.851 1.00 0.00 C ATOM 0 H LEU A 14 -6.277 -7.268 3.261 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.167 -5.741 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.153 -4.768 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.411 -4.574 2.026 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.011 -7.049 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.716 -6.947 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.644 -5.454 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.892 -5.483 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.875 -8.266 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.019 -6.853 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.191 -7.736 2.862 1.00 0.00 H new ATOM 188 N ARG A 15 -7.010 -4.105 4.477 1.00 0.00 N ATOM 189 CA ARG A 15 -7.622 -2.973 5.161 1.00 0.00 C ATOM 190 C ARG A 15 -7.388 -3.057 6.667 1.00 0.00 C ATOM 191 O ARG A 15 -6.996 -2.077 7.299 1.00 0.00 O ATOM 192 CB ARG A 15 -9.122 -2.923 4.870 1.00 0.00 C ATOM 193 CG ARG A 15 -9.883 -1.946 5.752 1.00 0.00 C ATOM 194 CD ARG A 15 -11.008 -2.636 6.507 1.00 0.00 C ATOM 195 NE ARG A 15 -10.890 -2.456 7.951 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.838 -2.800 8.815 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.969 -3.343 8.382 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.657 -2.605 10.114 1.00 0.00 N ATOM 0 H ARG A 15 -7.668 -4.698 3.972 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.156 -2.061 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.272 -2.649 3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.542 -3.920 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.197 -1.485 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.294 -1.144 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.966 -2.241 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.002 -3.701 6.273 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.032 -2.043 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.111 -3.497 7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.696 -3.606 9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.788 -2.190 10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.386 -2.870 10.776 1.00 0.00 H new ATOM 209 N GLU A 16 -7.632 -4.234 7.235 1.00 0.00 N ATOM 210 CA GLU A 16 -7.450 -4.444 8.666 1.00 0.00 C ATOM 211 C GLU A 16 -6.080 -3.948 9.118 1.00 0.00 C ATOM 212 O GLU A 16 -5.978 -3.081 9.987 1.00 0.00 O ATOM 213 CB GLU A 16 -7.605 -5.927 9.009 1.00 0.00 C ATOM 214 CG GLU A 16 -8.986 -6.289 9.533 1.00 0.00 C ATOM 215 CD GLU A 16 -9.153 -7.780 9.752 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.128 -8.491 9.804 1.00 0.00 O ATOM 217 OE2 GLU A 16 -10.310 -8.236 9.872 1.00 0.00 O ATOM 0 H GLU A 16 -7.956 -5.056 6.726 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.216 -3.874 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.396 -6.521 8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.859 -6.199 9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.163 -5.765 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.741 -5.942 8.827 1.00 0.00 H new ATOM 222 N ALA A 17 -5.030 -4.501 8.523 1.00 0.00 N ATOM 223 CA ALA A 17 -3.666 -4.115 8.863 1.00 0.00 C ATOM 224 C ALA A 17 -3.426 -2.638 8.571 1.00 0.00 C ATOM 225 O ALA A 17 -3.004 -1.882 9.447 1.00 0.00 O ATOM 226 CB ALA A 17 -2.668 -4.974 8.101 1.00 0.00 C ATOM 0 H ALA A 17 -5.097 -5.219 7.802 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.525 -4.276 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.654 -4.674 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.816 -6.022 8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.818 -4.842 7.029 1.00 0.00 H new ATOM 232 N PHE A 18 -3.698 -2.231 7.336 1.00 0.00 N ATOM 233 CA PHE A 18 -3.510 -0.844 6.928 1.00 0.00 C ATOM 234 C PHE A 18 -3.982 0.113 8.019 1.00 0.00 C ATOM 235 O PHE A 18 -3.220 0.955 8.494 1.00 0.00 O ATOM 236 CB PHE A 18 -4.267 -0.564 5.628 1.00 0.00 C ATOM 237 CG PHE A 18 -4.202 0.871 5.192 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.285 1.279 4.237 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.057 1.814 5.740 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.222 2.599 3.834 1.00 0.00 C ATOM 241 CE2 PHE A 18 -5.000 3.136 5.340 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.081 3.529 4.387 1.00 0.00 C ATOM 0 H PHE A 18 -4.050 -2.843 6.599 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.445 -0.683 6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.860 -1.194 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.311 -0.849 5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.611 0.556 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.776 1.513 6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.503 2.903 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.674 3.861 5.772 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.034 4.562 4.075 1.00 0.00 H new ATOM 251 N ALA A 19 -5.244 -0.025 8.414 1.00 0.00 N ATOM 252 CA ALA A 19 -5.818 0.824 9.449 1.00 0.00 C ATOM 253 C ALA A 19 -4.929 0.856 10.688 1.00 0.00 C ATOM 254 O ALA A 19 -4.659 1.920 11.245 1.00 0.00 O ATOM 255 CB ALA A 19 -7.215 0.344 9.811 1.00 0.00 C ATOM 0 H ALA A 19 -5.888 -0.718 8.032 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.885 1.839 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.632 0.988 10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.852 0.380 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.164 -0.680 10.180 1.00 0.00 H new ATOM 261 N LYS A 20 -4.477 -0.318 11.116 1.00 0.00 N ATOM 262 CA LYS A 20 -3.618 -0.425 12.289 1.00 0.00 C ATOM 263 C LYS A 20 -2.377 0.448 12.137 1.00 0.00 C ATOM 264 O LYS A 20 -1.817 0.925 13.124 1.00 0.00 O ATOM 265 CB LYS A 20 -3.204 -1.882 12.512 1.00 0.00 C ATOM 266 CG LYS A 20 -4.367 -2.859 12.460 1.00 0.00 C ATOM 267 CD LYS A 20 -4.391 -3.763 13.681 1.00 0.00 C ATOM 268 CE LYS A 20 -3.052 -4.455 13.887 1.00 0.00 C ATOM 269 NZ LYS A 20 -3.107 -5.450 14.994 1.00 0.00 N ATOM 0 H LYS A 20 -4.691 -1.209 10.668 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.182 -0.076 13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.471 -2.162 11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.712 -1.967 13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.305 -2.307 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.293 -3.466 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.638 -3.176 14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.175 -4.511 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.755 -4.954 12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.288 -3.709 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.176 -5.900 15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.365 -4.970 15.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.818 -6.176 14.773 1.00 0.00 H new ATOM 279 N VAL A 21 -1.952 0.655 10.894 1.00 0.00 N ATOM 280 CA VAL A 21 -0.779 1.473 10.613 1.00 0.00 C ATOM 281 C VAL A 21 -1.177 2.811 10.000 1.00 0.00 C ATOM 282 O VAL A 21 -0.321 3.601 9.599 1.00 0.00 O ATOM 283 CB VAL A 21 0.193 0.753 9.659 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.508 0.455 10.362 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.437 -0.524 9.124 1.00 0.00 C ATOM 0 H VAL A 21 -2.403 0.267 10.066 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.279 1.647 11.566 1.00 0.00 H new ATOM 0 HB VAL A 21 0.402 1.410 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.182 -0.054 9.673 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.964 1.388 10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.322 -0.184 11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.262 -1.021 8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.675 -1.188 9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.350 -0.280 8.582 1.00 0.00 H new ATOM 295 N ASP A 22 -2.480 3.060 9.932 1.00 0.00 N ATOM 296 CA ASP A 22 -2.993 4.304 9.370 1.00 0.00 C ATOM 297 C ASP A 22 -3.516 5.223 10.470 1.00 0.00 C ATOM 298 O ASP A 22 -4.627 5.747 10.381 1.00 0.00 O ATOM 299 CB ASP A 22 -4.104 4.014 8.360 1.00 0.00 C ATOM 300 CG ASP A 22 -4.578 5.264 7.645 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.805 5.411 7.460 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.724 6.094 7.272 1.00 0.00 O ATOM 0 H ASP A 22 -3.201 2.417 10.259 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.172 4.808 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.744 3.293 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.947 3.552 8.874 1.00 0.00 H new ATOM 306 N THR A 23 -2.707 5.415 11.509 1.00 0.00 N ATOM 307 CA THR A 23 -3.090 6.267 12.627 1.00 0.00 C ATOM 308 C THR A 23 -2.838 7.737 12.308 1.00 0.00 C ATOM 309 O THR A 23 -2.973 8.602 13.174 1.00 0.00 O ATOM 310 CB THR A 23 -2.320 5.893 13.907 1.00 0.00 C ATOM 311 OG1 THR A 23 -2.747 6.720 14.996 1.00 0.00 O ATOM 312 CG2 THR A 23 -0.821 6.051 13.703 1.00 0.00 C ATOM 0 H THR A 23 -1.783 4.992 11.598 1.00 0.00 H new ATOM 0 HA THR A 23 -4.156 6.111 12.794 1.00 0.00 H new ATOM 0 HB THR A 23 -2.532 4.849 14.139 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.825 7.648 14.691 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.298 5.781 14.621 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.493 5.399 12.894 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.596 7.087 13.448 1.00 0.00 H new ATOM 320 N ASP A 24 -2.476 8.013 11.060 1.00 0.00 N ATOM 321 CA ASP A 24 -2.208 9.380 10.627 1.00 0.00 C ATOM 322 C ASP A 24 -3.450 10.252 10.780 1.00 0.00 C ATOM 323 O ASP A 24 -3.366 11.479 10.763 1.00 0.00 O ATOM 324 CB ASP A 24 -1.737 9.393 9.172 1.00 0.00 C ATOM 325 CG ASP A 24 -0.438 8.635 8.976 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.071 8.065 9.964 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.069 8.613 7.835 1.00 0.00 O ATOM 0 H ASP A 24 -2.361 7.309 10.331 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.420 9.788 11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.509 8.955 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.605 10.424 8.845 1.00 0.00 H new ATOM 331 N GLY A 25 -4.605 9.608 10.930 1.00 0.00 N ATOM 332 CA GLY A 25 -5.847 10.340 11.083 1.00 0.00 C ATOM 333 C GLY A 25 -6.237 11.092 9.826 1.00 0.00 C ATOM 334 O GLY A 25 -7.135 11.932 9.850 1.00 0.00 O ATOM 0 H GLY A 25 -4.701 8.593 10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.644 9.645 11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.750 11.045 11.909 1.00 0.00 H new ATOM 338 N ASN A 26 -5.557 10.790 8.724 1.00 0.00 N ATOM 339 CA ASN A 26 -5.836 11.445 7.451 1.00 0.00 C ATOM 340 C ASN A 26 -6.410 10.454 6.444 1.00 0.00 C ATOM 341 O ASN A 26 -7.018 10.846 5.448 1.00 0.00 O ATOM 342 CB ASN A 26 -4.560 12.078 6.890 1.00 0.00 C ATOM 343 CG ASN A 26 -3.827 12.912 7.923 1.00 0.00 C ATOM 344 OD1 ASN A 26 -4.371 13.878 8.458 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.583 12.542 8.206 1.00 0.00 N ATOM 0 H ASN A 26 -4.810 10.097 8.687 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.575 12.226 7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.898 11.293 6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.814 12.704 6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.039 13.066 8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.172 11.734 7.738 1.00 0.00 H new ATOM 351 N GLY A 27 -6.214 9.166 6.710 1.00 0.00 N ATOM 352 CA GLY A 27 -6.720 8.139 5.819 1.00 0.00 C ATOM 353 C GLY A 27 -5.614 7.438 5.054 1.00 0.00 C ATOM 354 O GLY A 27 -5.830 6.377 4.470 1.00 0.00 O ATOM 0 H GLY A 27 -5.714 8.816 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.280 7.404 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.418 8.587 5.112 1.00 0.00 H new ATOM 358 N TYR A 28 -4.427 8.035 5.058 1.00 0.00 N ATOM 359 CA TYR A 28 -3.283 7.464 4.356 1.00 0.00 C ATOM 360 C TYR A 28 -2.112 7.246 5.309 1.00 0.00 C ATOM 361 O TYR A 28 -1.898 8.028 6.235 1.00 0.00 O ATOM 362 CB TYR A 28 -2.855 8.378 3.205 1.00 0.00 C ATOM 363 CG TYR A 28 -2.928 9.850 3.544 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.887 10.670 2.960 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.038 10.421 4.444 1.00 0.00 C ATOM 366 CE1 TYR A 28 -3.956 12.015 3.265 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.102 11.765 4.756 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.062 12.558 4.163 1.00 0.00 C ATOM 369 OH TYR A 28 -3.127 13.898 4.471 1.00 0.00 O ATOM 0 H TYR A 28 -4.232 8.913 5.539 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.584 6.498 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.834 8.130 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.488 8.181 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.589 10.248 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.283 9.804 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.707 12.639 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.404 12.193 5.461 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.427 14.119 5.120 1.00 0.00 H new ATOM 378 N ILE A 29 -1.359 6.177 5.075 1.00 0.00 N ATOM 379 CA ILE A 29 -0.208 5.856 5.911 1.00 0.00 C ATOM 380 C ILE A 29 1.080 6.402 5.305 1.00 0.00 C ATOM 381 O ILE A 29 1.073 6.974 4.216 1.00 0.00 O ATOM 382 CB ILE A 29 -0.065 4.335 6.110 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.333 3.661 4.796 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.363 3.746 6.642 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.394 2.152 4.884 1.00 0.00 C ATOM 0 H ILE A 29 -1.525 5.518 4.314 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.379 6.327 6.879 1.00 0.00 H new ATOM 0 HB ILE A 29 0.721 4.152 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.381 3.943 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.307 4.038 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.246 2.671 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.607 4.208 7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.167 3.937 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.682 1.742 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.129 1.861 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.585 1.764 5.165 1.00 0.00 H new ATOM 396 N SER A 30 2.187 6.219 6.019 1.00 0.00 N ATOM 397 CA SER A 30 3.485 6.694 5.554 1.00 0.00 C ATOM 398 C SER A 30 4.289 5.557 4.933 1.00 0.00 C ATOM 399 O SER A 30 3.943 4.384 5.078 1.00 0.00 O ATOM 400 CB SER A 30 4.268 7.316 6.711 1.00 0.00 C ATOM 401 OG SER A 30 5.566 7.704 6.297 1.00 0.00 O ATOM 0 H SER A 30 2.210 5.745 6.922 1.00 0.00 H new ATOM 0 HA SER A 30 3.315 7.453 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.730 8.184 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.343 6.601 7.530 1.00 0.00 H new ATOM 0 HG SER A 30 6.046 8.100 7.054 1.00 0.00 H new ATOM 406 N PHE A 31 5.365 5.912 4.238 1.00 0.00 N ATOM 407 CA PHE A 31 6.220 4.922 3.593 1.00 0.00 C ATOM 408 C PHE A 31 6.549 3.781 4.551 1.00 0.00 C ATOM 409 O PHE A 31 6.256 2.619 4.273 1.00 0.00 O ATOM 410 CB PHE A 31 7.511 5.577 3.099 1.00 0.00 C ATOM 411 CG PHE A 31 7.545 5.789 1.612 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.784 6.788 1.025 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.335 4.991 0.802 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.813 6.986 -0.343 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.368 5.185 -0.565 1.00 0.00 C ATOM 416 CZ PHE A 31 7.605 6.183 -1.139 1.00 0.00 C ATOM 0 H PHE A 31 5.666 6.878 4.107 1.00 0.00 H new ATOM 0 HA PHE A 31 5.679 4.512 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.635 6.538 3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.358 4.956 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.162 7.418 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.932 4.208 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.216 7.768 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.990 4.557 -1.185 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.628 6.335 -2.208 1.00 0.00 H new ATOM 425 N ASN A 32 7.162 4.123 5.680 1.00 0.00 N ATOM 426 CA ASN A 32 7.533 3.128 6.679 1.00 0.00 C ATOM 427 C ASN A 32 6.331 2.271 7.068 1.00 0.00 C ATOM 428 O ASN A 32 6.426 1.047 7.141 1.00 0.00 O ATOM 429 CB ASN A 32 8.109 3.811 7.921 1.00 0.00 C ATOM 430 CG ASN A 32 9.072 2.917 8.679 1.00 0.00 C ATOM 431 OD1 ASN A 32 8.944 2.734 9.890 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.043 2.356 7.968 1.00 0.00 N ATOM 0 H ASN A 32 7.412 5.081 5.925 1.00 0.00 H new ATOM 0 HA ASN A 32 8.293 2.480 6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.623 4.725 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.293 4.105 8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.721 1.745 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.111 2.536 6.966 1.00 0.00 H new ATOM 438 N GLU A 33 5.201 2.926 7.315 1.00 0.00 N ATOM 439 CA GLU A 33 3.981 2.225 7.696 1.00 0.00 C ATOM 440 C GLU A 33 3.565 1.230 6.616 1.00 0.00 C ATOM 441 O GLU A 33 3.113 0.124 6.914 1.00 0.00 O ATOM 442 CB GLU A 33 2.849 3.223 7.947 1.00 0.00 C ATOM 443 CG GLU A 33 3.208 4.311 8.946 1.00 0.00 C ATOM 444 CD GLU A 33 2.000 5.106 9.403 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.267 5.621 8.533 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.790 5.213 10.628 1.00 0.00 O ATOM 0 H GLU A 33 5.105 3.940 7.258 1.00 0.00 H new ATOM 0 HA GLU A 33 4.182 1.675 8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.569 3.687 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.974 2.684 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.689 3.858 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.934 4.988 8.495 1.00 0.00 H new ATOM 451 N LEU A 34 3.719 1.632 5.358 1.00 0.00 N ATOM 452 CA LEU A 34 3.360 0.778 4.233 1.00 0.00 C ATOM 453 C LEU A 34 4.122 -0.542 4.285 1.00 0.00 C ATOM 454 O LEU A 34 3.526 -1.610 4.414 1.00 0.00 O ATOM 455 CB LEU A 34 3.646 1.494 2.911 1.00 0.00 C ATOM 456 CG LEU A 34 3.867 0.594 1.695 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.636 -0.260 1.434 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.208 1.430 0.469 1.00 0.00 C ATOM 0 H LEU A 34 4.090 2.544 5.093 1.00 0.00 H new ATOM 0 HA LEU A 34 2.294 0.563 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.813 2.164 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.531 2.117 3.042 1.00 0.00 H new ATOM 0 HG LEU A 34 4.707 -0.069 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.811 -0.894 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.435 -0.884 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.779 0.386 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.362 0.774 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.388 2.116 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.118 1.999 0.658 1.00 0.00 H new ATOM 469 N ASN A 35 5.445 -0.460 4.186 1.00 0.00 N ATOM 470 CA ASN A 35 6.291 -1.647 4.224 1.00 0.00 C ATOM 471 C ASN A 35 5.898 -2.557 5.384 1.00 0.00 C ATOM 472 O ASN A 35 5.732 -3.764 5.210 1.00 0.00 O ATOM 473 CB ASN A 35 7.762 -1.248 4.349 1.00 0.00 C ATOM 474 CG ASN A 35 8.200 -0.301 3.249 1.00 0.00 C ATOM 475 OD1 ASN A 35 7.600 0.756 3.048 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.250 -0.677 2.529 1.00 0.00 N ATOM 0 H ASN A 35 5.955 0.417 4.079 1.00 0.00 H new ATOM 0 HA ASN A 35 6.149 -2.194 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.926 -0.776 5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.382 -2.144 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.590 -0.082 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.716 -1.561 2.731 1.00 0.00 H new ATOM 482 N ASP A 36 5.751 -1.969 6.566 1.00 0.00 N ATOM 483 CA ASP A 36 5.376 -2.726 7.755 1.00 0.00 C ATOM 484 C ASP A 36 3.998 -3.357 7.585 1.00 0.00 C ATOM 485 O ASP A 36 3.752 -4.472 8.049 1.00 0.00 O ATOM 486 CB ASP A 36 5.388 -1.820 8.987 1.00 0.00 C ATOM 487 CG ASP A 36 6.677 -1.934 9.777 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.629 -2.432 10.922 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.734 -1.527 9.252 1.00 0.00 O ATOM 0 H ASP A 36 5.886 -0.971 6.727 1.00 0.00 H new ATOM 0 HA ASP A 36 6.106 -3.524 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.247 -0.785 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.547 -2.076 9.631 1.00 0.00 H new ATOM 493 N LEU A 37 3.102 -2.637 6.920 1.00 0.00 N ATOM 494 CA LEU A 37 1.746 -3.126 6.690 1.00 0.00 C ATOM 495 C LEU A 37 1.757 -4.357 5.790 1.00 0.00 C ATOM 496 O LEU A 37 1.036 -5.324 6.034 1.00 0.00 O ATOM 497 CB LEU A 37 0.887 -2.027 6.061 1.00 0.00 C ATOM 498 CG LEU A 37 -0.213 -2.499 5.110 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.130 -3.494 5.803 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.009 -1.312 4.586 1.00 0.00 C ATOM 0 H LEU A 37 3.289 -1.713 6.530 1.00 0.00 H new ATOM 0 HA LEU A 37 1.318 -3.407 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.425 -1.451 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.543 -1.347 5.517 1.00 0.00 H new ATOM 0 HG LEU A 37 0.256 -3.000 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.906 -3.818 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.550 -4.358 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.592 -3.021 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.788 -1.666 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.467 -0.783 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.343 -0.636 4.050 1.00 0.00 H new ATOM 511 N PHE A 38 2.582 -4.316 4.749 1.00 0.00 N ATOM 512 CA PHE A 38 2.688 -5.428 3.813 1.00 0.00 C ATOM 513 C PHE A 38 3.046 -6.721 4.542 1.00 0.00 C ATOM 514 O PHE A 38 2.352 -7.730 4.417 1.00 0.00 O ATOM 515 CB PHE A 38 3.740 -5.124 2.743 1.00 0.00 C ATOM 516 CG PHE A 38 3.155 -4.866 1.385 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.105 -5.873 0.434 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.656 -3.615 1.057 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.567 -5.638 -0.818 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.117 -3.374 -0.192 1.00 0.00 C ATOM 521 CZ PHE A 38 2.074 -4.386 -1.131 1.00 0.00 C ATOM 0 H PHE A 38 3.187 -3.524 4.533 1.00 0.00 H new ATOM 0 HA PHE A 38 1.719 -5.559 3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.320 -4.254 3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.433 -5.962 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.491 -6.853 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.689 -2.819 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.532 -6.432 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.730 -2.395 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.655 -4.199 -2.109 1.00 0.00 H new ATOM 530 N LYS A 39 4.134 -6.681 5.303 1.00 0.00 N ATOM 531 CA LYS A 39 4.585 -7.846 6.054 1.00 0.00 C ATOM 532 C LYS A 39 3.628 -8.161 7.198 1.00 0.00 C ATOM 533 O LYS A 39 3.363 -9.325 7.495 1.00 0.00 O ATOM 534 CB LYS A 39 5.994 -7.610 6.603 1.00 0.00 C ATOM 535 CG LYS A 39 6.944 -6.986 5.596 1.00 0.00 C ATOM 536 CD LYS A 39 8.396 -7.214 5.983 1.00 0.00 C ATOM 537 CE LYS A 39 8.797 -8.671 5.808 1.00 0.00 C ATOM 538 NZ LYS A 39 10.261 -8.819 5.580 1.00 0.00 N ATOM 0 H LYS A 39 4.720 -5.854 5.416 1.00 0.00 H new ATOM 0 HA LYS A 39 4.604 -8.699 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.930 -6.963 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.408 -8.561 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.759 -7.410 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.749 -5.916 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.040 -6.582 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.548 -6.916 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.508 -9.236 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.253 -9.099 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.494 -9.826 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.533 -8.301 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.780 -8.434 6.395 1.00 0.00 H new ATOM 548 N ALA A 40 3.110 -7.116 7.835 1.00 0.00 N ATOM 549 CA ALA A 40 2.179 -7.282 8.944 1.00 0.00 C ATOM 550 C ALA A 40 0.907 -7.990 8.492 1.00 0.00 C ATOM 551 O ALA A 40 0.279 -8.713 9.265 1.00 0.00 O ATOM 552 CB ALA A 40 1.845 -5.931 9.559 1.00 0.00 C ATOM 0 H ALA A 40 3.319 -6.145 7.602 1.00 0.00 H new ATOM 0 HA ALA A 40 2.659 -7.904 9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.149 -6.070 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.758 -5.463 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.389 -5.290 8.804 1.00 0.00 H new ATOM 558 N ALA A 41 0.532 -7.776 7.235 1.00 0.00 N ATOM 559 CA ALA A 41 -0.666 -8.395 6.680 1.00 0.00 C ATOM 560 C ALA A 41 -0.326 -9.691 5.951 1.00 0.00 C ATOM 561 O ALA A 41 -1.111 -10.181 5.139 1.00 0.00 O ATOM 562 CB ALA A 41 -1.372 -7.428 5.741 1.00 0.00 C ATOM 0 H ALA A 41 1.040 -7.179 6.582 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.336 -8.638 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.265 -7.903 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.657 -6.530 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.701 -7.157 4.926 1.00 0.00 H new ATOM 568 N CYS A 42 0.847 -10.239 6.245 1.00 0.00 N ATOM 569 CA CYS A 42 1.291 -11.478 5.617 1.00 0.00 C ATOM 570 C CYS A 42 1.158 -11.395 4.099 1.00 0.00 C ATOM 571 O CYS A 42 0.457 -12.198 3.481 1.00 0.00 O ATOM 572 CB CYS A 42 0.482 -12.662 6.148 1.00 0.00 C ATOM 573 SG CYS A 42 1.302 -14.262 5.954 1.00 0.00 S ATOM 0 H CYS A 42 1.508 -9.845 6.914 1.00 0.00 H new ATOM 0 HA CYS A 42 2.342 -11.626 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.271 -12.500 7.205 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.478 -12.693 5.633 1.00 0.00 H new ATOM 0 HG CYS A 42 0.541 -15.201 6.434 1.00 0.00 H new ATOM 578 N LEU A 43 1.835 -10.419 3.504 1.00 0.00 N ATOM 579 CA LEU A 43 1.792 -10.230 2.058 1.00 0.00 C ATOM 580 C LEU A 43 2.751 -11.185 1.355 1.00 0.00 C ATOM 581 O LEU A 43 3.771 -11.599 1.908 1.00 0.00 O ATOM 582 CB LEU A 43 2.143 -8.784 1.702 1.00 0.00 C ATOM 583 CG LEU A 43 0.976 -7.795 1.688 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.386 -7.685 0.291 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.091 -8.215 2.689 1.00 0.00 C ATOM 0 H LEU A 43 2.420 -9.747 4.000 1.00 0.00 H new ATOM 0 HA LEU A 43 0.779 -10.446 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.888 -8.426 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.612 -8.776 0.718 1.00 0.00 H new ATOM 0 HG LEU A 43 1.352 -6.814 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.443 -6.977 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.153 -7.337 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.025 -8.662 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.913 -7.500 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.464 -9.206 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.339 -8.240 3.690 1.00 0.00 H new ATOM 596 N PRO A 44 2.420 -11.543 0.106 1.00 0.00 N ATOM 597 CA PRO A 44 3.241 -12.451 -0.701 1.00 0.00 C ATOM 598 C PRO A 44 4.560 -11.817 -1.128 1.00 0.00 C ATOM 599 O PRO A 44 5.622 -12.429 -1.012 1.00 0.00 O ATOM 600 CB PRO A 44 2.362 -12.732 -1.924 1.00 0.00 C ATOM 601 CG PRO A 44 1.468 -11.545 -2.027 1.00 0.00 C ATOM 602 CD PRO A 44 1.220 -11.088 -0.617 1.00 0.00 C ATOM 0 HA PRO A 44 3.523 -13.346 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.964 -12.854 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.788 -13.650 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.934 -10.756 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.533 -11.803 -2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.103 -10.006 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.312 -11.529 -0.206 1.00 0.00 H new ATOM 607 N LEU A 45 4.486 -10.585 -1.623 1.00 0.00 N ATOM 608 CA LEU A 45 5.676 -9.867 -2.066 1.00 0.00 C ATOM 609 C LEU A 45 6.695 -9.752 -0.937 1.00 0.00 C ATOM 610 O LEU A 45 6.347 -9.616 0.236 1.00 0.00 O ATOM 611 CB LEU A 45 5.295 -8.472 -2.568 1.00 0.00 C ATOM 612 CG LEU A 45 4.256 -8.424 -3.690 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.527 -7.249 -4.617 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.251 -9.731 -4.470 1.00 0.00 C ATOM 0 H LEU A 45 3.615 -10.064 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 45 6.128 -10.431 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.917 -7.895 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.200 -7.973 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 45 3.272 -8.288 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.778 -7.230 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.479 -6.319 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.519 -7.354 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.506 -9.678 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.236 -9.898 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.008 -10.555 -3.799 1.00 0.00 H new ATOM 625 N PRO A 46 7.986 -9.805 -1.298 1.00 0.00 N ATOM 626 CA PRO A 46 9.083 -9.707 -0.330 1.00 0.00 C ATOM 627 C PRO A 46 9.206 -8.309 0.265 1.00 0.00 C ATOM 628 O PRO A 46 8.322 -7.470 0.093 1.00 0.00 O ATOM 629 CB PRO A 46 10.322 -10.044 -1.163 1.00 0.00 C ATOM 630 CG PRO A 46 9.947 -9.689 -2.561 1.00 0.00 C ATOM 631 CD PRO A 46 8.474 -9.966 -2.677 1.00 0.00 C ATOM 0 HA PRO A 46 8.934 -10.368 0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.190 -9.475 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.581 -11.099 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.165 -8.642 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.513 -10.282 -3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.987 -9.269 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.283 -10.970 -3.056 1.00 0.00 H new ATOM 636 N GLY A 47 10.308 -8.064 0.968 1.00 0.00 N ATOM 637 CA GLY A 47 10.526 -6.765 1.578 1.00 0.00 C ATOM 638 C GLY A 47 11.050 -5.741 0.591 1.00 0.00 C ATOM 639 O GLY A 47 10.607 -4.592 0.583 1.00 0.00 O ATOM 0 H GLY A 47 11.054 -8.742 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.590 -6.406 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.234 -6.868 2.400 1.00 0.00 H new ATOM 643 N TYR A 48 11.996 -6.156 -0.245 1.00 0.00 N ATOM 644 CA TYR A 48 12.583 -5.266 -1.238 1.00 0.00 C ATOM 645 C TYR A 48 11.551 -4.862 -2.286 1.00 0.00 C ATOM 646 O TYR A 48 11.528 -3.718 -2.742 1.00 0.00 O ATOM 647 CB TYR A 48 13.778 -5.940 -1.915 1.00 0.00 C ATOM 648 CG TYR A 48 13.405 -7.162 -2.723 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.418 -8.428 -2.149 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.041 -7.052 -4.058 1.00 0.00 C ATOM 651 CE1 TYR A 48 13.079 -9.549 -2.883 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.699 -8.167 -4.800 1.00 0.00 C ATOM 653 CZ TYR A 48 12.719 -9.413 -4.208 1.00 0.00 C ATOM 654 OH TYR A 48 12.381 -10.525 -4.943 1.00 0.00 O ATOM 0 H TYR A 48 12.372 -7.104 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 48 12.924 -4.366 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.269 -5.219 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.503 -6.226 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.698 -8.538 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.025 -6.078 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.096 -10.526 -2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.418 -8.063 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 48 12.152 -10.256 -5.857 1.00 0.00 H new ATOM 663 N ARG A 49 10.698 -5.809 -2.662 1.00 0.00 N ATOM 664 CA ARG A 49 9.664 -5.554 -3.657 1.00 0.00 C ATOM 665 C ARG A 49 8.804 -4.359 -3.253 1.00 0.00 C ATOM 666 O ARG A 49 8.712 -3.372 -3.982 1.00 0.00 O ATOM 667 CB ARG A 49 8.783 -6.791 -3.836 1.00 0.00 C ATOM 668 CG ARG A 49 9.197 -7.668 -5.007 1.00 0.00 C ATOM 669 CD ARG A 49 8.178 -7.609 -6.135 1.00 0.00 C ATOM 670 NE ARG A 49 7.740 -8.940 -6.547 1.00 0.00 N ATOM 671 CZ ARG A 49 8.486 -9.770 -7.267 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.702 -9.407 -7.652 1.00 0.00 N ATOM 673 NH2 ARG A 49 8.018 -10.964 -7.602 1.00 0.00 N ATOM 0 H ARG A 49 10.703 -6.760 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 49 10.154 -5.325 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.812 -7.383 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.750 -6.474 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.170 -7.347 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.309 -8.698 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.315 -7.027 -5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.612 -7.090 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 49 6.809 -9.249 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.066 -8.489 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.274 -10.046 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.083 -11.247 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.592 -11.600 -8.155 1.00 0.00 H new ATOM 684 N VAL A 50 8.176 -4.456 -2.085 1.00 0.00 N ATOM 685 CA VAL A 50 7.325 -3.384 -1.583 1.00 0.00 C ATOM 686 C VAL A 50 8.090 -2.069 -1.497 1.00 0.00 C ATOM 687 O VAL A 50 7.636 -1.041 -1.998 1.00 0.00 O ATOM 688 CB VAL A 50 6.753 -3.725 -0.194 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.800 -2.636 0.273 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.058 -5.077 -0.222 1.00 0.00 C ATOM 0 H VAL A 50 8.241 -5.266 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 50 6.502 -3.276 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 50 7.578 -3.781 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.406 -2.894 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.333 -1.687 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.977 -2.545 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.660 -5.302 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.242 -5.052 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.773 -5.848 -0.509 1.00 0.00 H new ATOM 700 N ARG A 51 9.256 -2.110 -0.859 1.00 0.00 N ATOM 701 CA ARG A 51 10.085 -0.921 -0.707 1.00 0.00 C ATOM 702 C ARG A 51 10.379 -0.285 -2.062 1.00 0.00 C ATOM 703 O ARG A 51 10.081 0.888 -2.286 1.00 0.00 O ATOM 704 CB ARG A 51 11.396 -1.273 -0.002 1.00 0.00 C ATOM 705 CG ARG A 51 12.411 -0.142 0.000 1.00 0.00 C ATOM 706 CD ARG A 51 12.848 0.211 1.414 1.00 0.00 C ATOM 707 NE ARG A 51 14.302 0.211 1.553 1.00 0.00 N ATOM 708 CZ ARG A 51 15.094 1.115 0.988 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.577 2.087 0.250 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.409 1.048 1.161 1.00 0.00 N ATOM 0 H ARG A 51 9.647 -2.954 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 51 9.535 -0.202 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.180 -1.557 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.837 -2.144 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.281 -0.431 -0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.979 0.737 -0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.458 1.194 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.417 -0.503 2.116 1.00 0.00 H new ATOM 0 HE ARG A 51 14.733 -0.523 2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.568 2.143 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.189 2.779 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.811 0.302 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.017 1.743 0.727 1.00 0.00 H new ATOM 721 N GLU A 52 10.965 -1.068 -2.963 1.00 0.00 N ATOM 722 CA GLU A 52 11.300 -0.581 -4.295 1.00 0.00 C ATOM 723 C GLU A 52 10.063 -0.033 -5.002 1.00 0.00 C ATOM 724 O GLU A 52 10.102 1.042 -5.601 1.00 0.00 O ATOM 725 CB GLU A 52 11.924 -1.701 -5.131 1.00 0.00 C ATOM 726 CG GLU A 52 13.443 -1.706 -5.104 1.00 0.00 C ATOM 727 CD GLU A 52 14.002 -1.556 -3.703 1.00 0.00 C ATOM 728 OE1 GLU A 52 14.318 -2.590 -3.078 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.125 -0.406 -3.231 1.00 0.00 O ATOM 0 H GLU A 52 11.217 -2.042 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 52 12.023 0.227 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.559 -2.661 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.588 -1.603 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.807 -2.637 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.816 -0.895 -5.729 1.00 0.00 H new ATOM 734 N ILE A 53 8.967 -0.781 -4.926 1.00 0.00 N ATOM 735 CA ILE A 53 7.718 -0.372 -5.557 1.00 0.00 C ATOM 736 C ILE A 53 7.325 1.040 -5.133 1.00 0.00 C ATOM 737 O ILE A 53 6.985 1.879 -5.967 1.00 0.00 O ATOM 738 CB ILE A 53 6.570 -1.338 -5.212 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.757 -2.669 -5.943 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.228 -0.716 -5.571 1.00 0.00 C ATOM 741 CD1 ILE A 53 6.105 -3.840 -5.242 1.00 0.00 C ATOM 0 H ILE A 53 8.919 -1.673 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 53 7.887 -0.392 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 53 6.586 -1.528 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.345 -2.583 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.823 -2.868 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.426 -1.411 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.094 0.209 -5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.201 -0.500 -6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.278 -4.750 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.534 -3.952 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.033 -3.663 -5.158 1.00 0.00 H new ATOM 752 N THR A 54 7.375 1.296 -3.830 1.00 0.00 N ATOM 753 CA THR A 54 7.025 2.605 -3.294 1.00 0.00 C ATOM 754 C THR A 54 8.034 3.663 -3.726 1.00 0.00 C ATOM 755 O THR A 54 7.677 4.643 -4.378 1.00 0.00 O ATOM 756 CB THR A 54 6.950 2.581 -1.756 1.00 0.00 C ATOM 757 OG1 THR A 54 6.700 1.247 -1.298 1.00 0.00 O ATOM 758 CG2 THR A 54 5.855 3.509 -1.252 1.00 0.00 C ATOM 0 H THR A 54 7.655 0.613 -3.126 1.00 0.00 H new ATOM 0 HA THR A 54 6.043 2.858 -3.694 1.00 0.00 H new ATOM 0 HB THR A 54 7.906 2.927 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.472 0.680 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.822 3.475 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.064 4.528 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.894 3.190 -1.655 1.00 0.00 H new ATOM 766 N GLU A 55 9.295 3.458 -3.357 1.00 0.00 N ATOM 767 CA GLU A 55 10.355 4.396 -3.708 1.00 0.00 C ATOM 768 C GLU A 55 10.362 4.672 -5.208 1.00 0.00 C ATOM 769 O GLU A 55 10.767 5.747 -5.650 1.00 0.00 O ATOM 770 CB GLU A 55 11.715 3.848 -3.272 1.00 0.00 C ATOM 771 CG GLU A 55 12.431 4.730 -2.262 1.00 0.00 C ATOM 772 CD GLU A 55 13.863 5.029 -2.661 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.646 4.069 -2.822 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.202 6.222 -2.812 1.00 0.00 O ATOM 0 H GLU A 55 9.607 2.652 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 55 10.164 5.333 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.577 2.856 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.348 3.729 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.885 5.667 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.424 4.241 -1.288 1.00 0.00 H new ATOM 779 N ASN A 56 9.912 3.694 -5.987 1.00 0.00 N ATOM 780 CA ASN A 56 9.868 3.830 -7.437 1.00 0.00 C ATOM 781 C ASN A 56 8.561 4.478 -7.884 1.00 0.00 C ATOM 782 O ASN A 56 8.490 5.088 -8.952 1.00 0.00 O ATOM 783 CB ASN A 56 10.026 2.463 -8.106 1.00 0.00 C ATOM 784 CG ASN A 56 10.161 2.566 -9.611 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.056 3.241 -10.121 1.00 0.00 O ATOM 786 ND2 ASN A 56 9.270 1.896 -10.334 1.00 0.00 N ATOM 0 H ASN A 56 9.572 2.798 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 56 10.695 4.473 -7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.905 1.962 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.164 1.842 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.311 1.929 -11.353 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.545 1.349 -9.870 1.00 0.00 H new ATOM 792 N LEU A 57 7.529 4.343 -7.059 1.00 0.00 N ATOM 793 CA LEU A 57 6.223 4.915 -7.367 1.00 0.00 C ATOM 794 C LEU A 57 6.294 6.439 -7.417 1.00 0.00 C ATOM 795 O LEU A 57 6.033 7.048 -8.453 1.00 0.00 O ATOM 796 CB LEU A 57 5.193 4.476 -6.325 1.00 0.00 C ATOM 797 CG LEU A 57 3.879 3.918 -6.875 1.00 0.00 C ATOM 798 CD1 LEU A 57 4.091 2.531 -7.458 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.817 3.885 -5.785 1.00 0.00 C ATOM 0 H LEU A 57 7.571 3.842 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 57 5.917 4.551 -8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.649 3.717 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.964 5.330 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 57 3.532 4.575 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.146 2.150 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.819 2.584 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.461 1.862 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.889 3.485 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.156 3.251 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.645 4.895 -5.414 1.00 0.00 H new ATOM 810 N MET A 58 6.651 7.046 -6.290 1.00 0.00 N ATOM 811 CA MET A 58 6.760 8.498 -6.207 1.00 0.00 C ATOM 812 C MET A 58 8.040 8.987 -6.878 1.00 0.00 C ATOM 813 O MET A 58 8.201 10.180 -7.135 1.00 0.00 O ATOM 814 CB MET A 58 6.732 8.951 -4.746 1.00 0.00 C ATOM 815 CG MET A 58 7.728 8.216 -3.863 1.00 0.00 C ATOM 816 SD MET A 58 9.131 9.246 -3.392 1.00 0.00 S ATOM 817 CE MET A 58 9.175 8.970 -1.623 1.00 0.00 C ATOM 0 H MET A 58 6.869 6.556 -5.423 1.00 0.00 H new ATOM 0 HA MET A 58 5.908 8.931 -6.731 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.939 10.020 -4.702 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.728 8.804 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.221 7.866 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.091 7.333 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.884 9.659 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.183 9.138 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.485 7.944 -1.422 1.00 0.00 H new ATOM 825 N ALA A 59 8.947 8.057 -7.160 1.00 0.00 N ATOM 826 CA ALA A 59 10.211 8.393 -7.803 1.00 0.00 C ATOM 827 C ALA A 59 9.987 9.271 -9.029 1.00 0.00 C ATOM 828 O ALA A 59 10.871 10.025 -9.436 1.00 0.00 O ATOM 829 CB ALA A 59 10.961 7.126 -8.187 1.00 0.00 C ATOM 0 H ALA A 59 8.830 7.065 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 59 10.814 8.957 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.903 7.392 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.163 6.537 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.355 6.540 -8.878 1.00 0.00 H new ATOM 835 N THR A 60 8.798 9.168 -9.615 1.00 0.00 N ATOM 836 CA THR A 60 8.458 9.951 -10.797 1.00 0.00 C ATOM 837 C THR A 60 7.443 11.037 -10.464 1.00 0.00 C ATOM 838 O THR A 60 7.694 12.223 -10.676 1.00 0.00 O ATOM 839 CB THR A 60 7.891 9.059 -11.918 1.00 0.00 C ATOM 840 OG1 THR A 60 7.049 8.046 -11.358 1.00 0.00 O ATOM 841 CG2 THR A 60 9.013 8.412 -12.715 1.00 0.00 C ATOM 0 H THR A 60 8.054 8.550 -9.290 1.00 0.00 H new ATOM 0 HA THR A 60 9.381 10.415 -11.145 1.00 0.00 H new ATOM 0 HB THR A 60 7.306 9.686 -12.591 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.691 7.484 -12.077 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.588 7.787 -13.500 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.634 9.187 -13.164 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.622 7.797 -12.052 1.00 0.00 H new ATOM 849 N GLY A 61 6.293 10.625 -9.939 1.00 0.00 N ATOM 850 CA GLY A 61 5.256 11.576 -9.583 1.00 0.00 C ATOM 851 C GLY A 61 3.962 10.899 -9.180 1.00 0.00 C ATOM 852 O GLY A 61 2.879 11.321 -9.587 1.00 0.00 O ATOM 0 H GLY A 61 6.061 9.649 -9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.607 12.201 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.068 12.238 -10.429 1.00 0.00 H new ATOM 856 N ASP A 62 4.072 9.844 -8.381 1.00 0.00 N ATOM 857 CA ASP A 62 2.899 9.106 -7.922 1.00 0.00 C ATOM 858 C ASP A 62 2.384 9.670 -6.602 1.00 0.00 C ATOM 859 O ASP A 62 1.206 10.008 -6.477 1.00 0.00 O ATOM 860 CB ASP A 62 3.236 7.622 -7.761 1.00 0.00 C ATOM 861 CG ASP A 62 3.219 6.878 -9.082 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.454 5.898 -9.201 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.969 7.277 -9.997 1.00 0.00 O ATOM 0 H ASP A 62 4.961 9.480 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 62 2.115 9.214 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.221 7.523 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.521 7.162 -7.079 1.00 0.00 H new ATOM 867 N LEU A 63 3.273 9.767 -5.619 1.00 0.00 N ATOM 868 CA LEU A 63 2.907 10.289 -4.307 1.00 0.00 C ATOM 869 C LEU A 63 3.242 11.773 -4.198 1.00 0.00 C ATOM 870 O LEU A 63 3.290 12.331 -3.102 1.00 0.00 O ATOM 871 CB LEU A 63 3.630 9.510 -3.206 1.00 0.00 C ATOM 872 CG LEU A 63 3.404 7.997 -3.197 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.112 7.491 -4.601 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.613 7.282 -2.611 1.00 0.00 C ATOM 0 H LEU A 63 4.251 9.491 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 63 1.831 10.168 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.700 9.697 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.319 9.910 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 63 2.539 7.782 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.954 6.413 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.216 7.979 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.956 7.718 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.436 6.207 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.494 7.505 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.776 7.622 -1.588 1.00 0.00 H new ATOM 885 N ASP A 64 3.471 12.407 -5.343 1.00 0.00 N ATOM 886 CA ASP A 64 3.799 13.829 -5.377 1.00 0.00 C ATOM 887 C ASP A 64 2.767 14.642 -4.602 1.00 0.00 C ATOM 888 O ASP A 64 3.048 15.757 -4.160 1.00 0.00 O ATOM 889 CB ASP A 64 3.873 14.321 -6.822 1.00 0.00 C ATOM 890 CG ASP A 64 4.710 15.578 -6.964 1.00 0.00 C ATOM 891 OD1 ASP A 64 4.125 16.659 -7.184 1.00 0.00 O ATOM 892 OD2 ASP A 64 5.949 15.479 -6.854 1.00 0.00 O ATOM 0 H ASP A 64 3.436 11.960 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 64 4.772 13.965 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.294 13.535 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.865 14.516 -7.188 1.00 0.00 H new ATOM 896 N GLN A 65 1.575 14.078 -4.440 1.00 0.00 N ATOM 897 CA GLN A 65 0.502 14.753 -3.719 1.00 0.00 C ATOM 898 C GLN A 65 0.995 15.274 -2.373 1.00 0.00 C ATOM 899 O GLN A 65 0.531 16.306 -1.888 1.00 0.00 O ATOM 900 CB GLN A 65 -0.677 13.803 -3.511 1.00 0.00 C ATOM 901 CG GLN A 65 -0.581 12.983 -2.235 1.00 0.00 C ATOM 902 CD GLN A 65 -1.802 12.115 -2.005 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.880 12.614 -1.677 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.641 10.808 -2.174 1.00 0.00 N ATOM 0 H GLN A 65 1.328 13.156 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 65 0.173 15.602 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.600 14.382 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.742 13.127 -4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.306 12.351 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.452 13.654 -1.386 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.731 10.437 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.428 10.175 -2.032 1.00 0.00 H new ATOM 911 N ASP A 66 1.936 14.552 -1.774 1.00 0.00 N ATOM 912 CA ASP A 66 2.492 14.941 -0.483 1.00 0.00 C ATOM 913 C ASP A 66 3.607 13.989 -0.063 1.00 0.00 C ATOM 914 O ASP A 66 4.533 14.378 0.648 1.00 0.00 O ATOM 915 CB ASP A 66 1.395 14.965 0.583 1.00 0.00 C ATOM 916 CG ASP A 66 1.107 16.365 1.086 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.609 16.497 2.224 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.379 17.331 0.342 1.00 0.00 O ATOM 0 H ASP A 66 2.330 13.695 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 66 2.912 15.942 -0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.482 14.535 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.693 14.335 1.421 1.00 0.00 H new ATOM 922 N GLY A 67 3.511 12.740 -0.506 1.00 0.00 N ATOM 923 CA GLY A 67 4.517 11.751 -0.165 1.00 0.00 C ATOM 924 C GLY A 67 3.960 10.626 0.685 1.00 0.00 C ATOM 925 O GLY A 67 4.678 9.688 1.032 1.00 0.00 O ATOM 0 H GLY A 67 2.754 12.395 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.939 11.336 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.333 12.237 0.370 1.00 0.00 H new ATOM 929 N ARG A 68 2.678 10.720 1.021 1.00 0.00 N ATOM 930 CA ARG A 68 2.026 9.704 1.838 1.00 0.00 C ATOM 931 C ARG A 68 1.565 8.530 0.979 1.00 0.00 C ATOM 932 O ARG A 68 1.930 8.425 -0.193 1.00 0.00 O ATOM 933 CB ARG A 68 0.831 10.305 2.581 1.00 0.00 C ATOM 934 CG ARG A 68 1.120 11.663 3.199 1.00 0.00 C ATOM 935 CD ARG A 68 2.285 11.595 4.174 1.00 0.00 C ATOM 936 NE ARG A 68 2.042 12.392 5.374 1.00 0.00 N ATOM 937 CZ ARG A 68 2.021 13.720 5.382 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.226 14.396 4.259 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.793 14.375 6.512 1.00 0.00 N ATOM 0 H ARG A 68 2.070 11.489 0.740 1.00 0.00 H new ATOM 0 HA ARG A 68 2.751 9.339 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.006 10.401 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.518 9.617 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.345 12.382 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.232 12.025 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.460 10.557 4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.191 11.948 3.682 1.00 0.00 H new ATOM 0 HE ARG A 68 1.880 11.902 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.400 13.896 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.209 15.416 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.633 13.859 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.777 15.395 6.516 1.00 0.00 H new ATOM 950 N ILE A 69 0.765 7.649 1.570 1.00 0.00 N ATOM 951 CA ILE A 69 0.255 6.484 0.859 1.00 0.00 C ATOM 952 C ILE A 69 -1.126 6.087 1.372 1.00 0.00 C ATOM 953 O ILE A 69 -1.257 5.520 2.457 1.00 0.00 O ATOM 954 CB ILE A 69 1.206 5.281 0.994 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.587 5.629 0.436 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.631 4.067 0.280 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.620 4.547 0.661 1.00 0.00 C ATOM 0 H ILE A 69 0.456 7.720 2.540 1.00 0.00 H new ATOM 0 HA ILE A 69 0.183 6.763 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 69 1.313 5.039 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.500 5.820 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.934 6.553 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.315 3.225 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.332 3.809 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.497 4.296 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.575 4.862 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.736 4.371 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.295 3.627 0.175 1.00 0.00 H new ATOM 968 N SER A 70 -2.153 6.387 0.583 1.00 0.00 N ATOM 969 CA SER A 70 -3.524 6.063 0.959 1.00 0.00 C ATOM 970 C SER A 70 -3.848 4.609 0.632 1.00 0.00 C ATOM 971 O SER A 70 -3.249 4.014 -0.264 1.00 0.00 O ATOM 972 CB SER A 70 -4.506 6.991 0.240 1.00 0.00 C ATOM 973 OG SER A 70 -5.113 6.336 -0.860 1.00 0.00 O ATOM 0 H SER A 70 -2.062 6.853 -0.320 1.00 0.00 H new ATOM 0 HA SER A 70 -3.622 6.206 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.274 7.324 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.982 7.882 -0.107 1.00 0.00 H new ATOM 0 HG SER A 70 -5.737 6.949 -1.302 1.00 0.00 H new ATOM 978 N PHE A 71 -4.803 4.042 1.363 1.00 0.00 N ATOM 979 CA PHE A 71 -5.207 2.658 1.152 1.00 0.00 C ATOM 980 C PHE A 71 -5.398 2.367 -0.334 1.00 0.00 C ATOM 981 O PHE A 71 -5.109 1.266 -0.804 1.00 0.00 O ATOM 982 CB PHE A 71 -6.502 2.361 1.911 1.00 0.00 C ATOM 983 CG PHE A 71 -6.811 0.895 2.021 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.789 -0.035 2.129 1.00 0.00 C ATOM 985 CD2 PHE A 71 -8.122 0.447 2.016 1.00 0.00 C ATOM 986 CE1 PHE A 71 -6.069 -1.384 2.231 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.408 -0.901 2.118 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.380 -1.818 2.224 1.00 0.00 C ATOM 0 H PHE A 71 -5.311 4.521 2.107 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.415 2.013 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.432 2.785 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.330 2.862 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.762 0.299 2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.929 1.159 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.264 -2.098 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.434 -1.238 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.601 -2.872 2.301 1.00 0.00 H new ATOM 997 N ASP A 72 -5.885 3.362 -1.067 1.00 0.00 N ATOM 998 CA ASP A 72 -6.114 3.214 -2.500 1.00 0.00 C ATOM 999 C ASP A 72 -4.829 2.811 -3.217 1.00 0.00 C ATOM 1000 O ASP A 72 -4.797 1.815 -3.938 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.652 4.518 -3.089 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.679 4.503 -4.604 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -5.685 4.939 -5.221 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.695 4.052 -5.175 1.00 0.00 O ATOM 0 H ASP A 72 -6.129 4.279 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.853 2.426 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.660 4.694 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.034 5.349 -2.748 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.773 3.592 -3.012 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.486 3.316 -3.641 1.00 0.00 C ATOM 1010 C GLU A 73 -1.984 1.926 -3.264 1.00 0.00 C ATOM 1011 O GLU A 73 -1.529 1.165 -4.118 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.456 4.372 -3.231 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.174 5.400 -4.314 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.100 6.598 -4.234 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.457 6.998 -3.106 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.466 7.137 -5.300 1.00 0.00 O ATOM 0 H GLU A 73 -3.783 4.420 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.623 3.353 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.811 4.886 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.524 3.874 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.141 5.737 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.277 4.930 -5.292 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.068 1.601 -1.978 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.621 0.302 -1.487 1.00 0.00 C ATOM 1023 C PHE A 74 -2.267 -0.831 -2.278 1.00 0.00 C ATOM 1024 O PHE A 74 -1.583 -1.731 -2.767 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.950 0.155 -0.001 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.708 -1.228 0.533 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.568 -1.511 1.268 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.620 -2.245 0.299 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.342 -2.782 1.761 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.399 -3.518 0.790 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.259 -3.788 1.521 1.00 0.00 C ATOM 0 H PHE A 74 -2.441 2.219 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.541 0.243 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.350 0.865 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.995 0.420 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.152 -0.729 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.513 -2.041 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.550 -2.989 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.118 -4.302 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.084 -4.783 1.904 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.590 -0.781 -2.399 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.329 -1.802 -3.130 1.00 0.00 C ATOM 1042 C ILE A 75 -3.840 -1.910 -4.570 1.00 0.00 C ATOM 1043 O ILE A 75 -3.403 -2.973 -5.012 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.841 -1.508 -3.134 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.393 -1.543 -1.707 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.573 -2.509 -4.016 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.357 -2.919 -1.080 1.00 0.00 C ATOM 0 H ILE A 75 -4.171 -0.044 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.152 -2.747 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.001 -0.510 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.819 -0.855 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.422 -1.183 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.640 -2.288 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.195 -2.440 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.408 -3.517 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.763 -2.869 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.955 -3.607 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.327 -3.274 -1.040 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.913 -0.801 -5.299 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.475 -0.768 -6.688 1.00 0.00 C ATOM 1060 C LYS A 76 -2.063 -1.327 -6.828 1.00 0.00 C ATOM 1061 O LYS A 76 -1.723 -1.934 -7.843 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.523 0.664 -7.227 1.00 0.00 C ATOM 1063 CG LYS A 76 -2.807 0.840 -8.554 1.00 0.00 C ATOM 1064 CD LYS A 76 -3.418 -0.034 -9.637 1.00 0.00 C ATOM 1065 CE LYS A 76 -4.808 0.448 -10.025 1.00 0.00 C ATOM 1066 NZ LYS A 76 -5.871 -0.229 -9.233 1.00 0.00 N ATOM 0 H LYS A 76 -4.272 0.087 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.153 -1.392 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.564 0.964 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.078 1.335 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.855 1.885 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.753 0.591 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.773 -0.031 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.474 -1.064 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.874 1.526 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.973 0.264 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.672 -0.462 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.490 -1.102 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.195 0.404 -8.474 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.245 -1.119 -5.801 1.00 0.00 N ATOM 1077 CA ILE A 77 0.129 -1.605 -5.808 1.00 0.00 C ATOM 1078 C ILE A 77 0.178 -3.118 -5.618 1.00 0.00 C ATOM 1079 O ILE A 77 0.985 -3.806 -6.244 1.00 0.00 O ATOM 1080 CB ILE A 77 0.970 -0.932 -4.707 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.151 0.556 -5.011 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.320 -1.620 -4.578 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.341 1.405 -3.773 1.00 0.00 C ATOM 0 H ILE A 77 -1.510 -0.617 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 77 0.549 -1.350 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 77 0.443 -1.028 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.014 0.683 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.280 0.916 -5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.903 -1.133 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.171 -2.669 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.855 -1.552 -5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.463 2.449 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.468 1.307 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.229 1.071 -3.236 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.691 -3.628 -4.752 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.748 -5.060 -4.481 1.00 0.00 C ATOM 1096 C PHE A 78 -1.195 -5.831 -5.718 1.00 0.00 C ATOM 1097 O PHE A 78 -0.705 -6.928 -5.991 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.701 -5.341 -3.318 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.875 -6.805 -3.026 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.806 -7.569 -2.586 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -3.107 -7.417 -3.193 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.963 -8.916 -2.318 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -3.270 -8.762 -2.925 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.196 -9.513 -2.488 1.00 0.00 C ATOM 0 H PHE A 78 -1.365 -3.072 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 78 0.254 -5.394 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.327 -4.842 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.674 -4.905 -3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.161 -7.107 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.950 -6.835 -3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.122 -9.501 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.236 -9.226 -3.057 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.321 -10.565 -2.280 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.129 -5.251 -6.465 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.643 -5.883 -7.674 1.00 0.00 C ATOM 1115 C HIS A 79 -1.689 -5.673 -8.845 1.00 0.00 C ATOM 1116 O HIS A 79 -1.544 -6.541 -9.706 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.024 -5.323 -8.021 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.131 -6.318 -7.860 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.915 -6.748 -8.910 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.583 -6.971 -6.763 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.803 -7.620 -8.466 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.622 -7.773 -7.166 1.00 0.00 N ATOM 0 H HIS A 79 -2.545 -4.344 -6.254 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.729 -6.953 -7.485 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.227 -4.460 -7.387 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.014 -4.966 -9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.198 -6.878 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.549 -8.122 -9.064 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.166 -8.387 -6.560 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.039 -4.513 -8.873 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.107 -4.210 -9.943 1.00 0.00 C ATOM 1131 C GLY A 80 -0.755 -3.442 -11.078 1.00 0.00 C ATOM 1132 O GLY A 80 -0.306 -2.354 -11.439 1.00 0.00 O ATOM 0 H GLY A 80 -1.142 -3.778 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.724 -3.629 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.311 -5.139 -10.330 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.816 -4.010 -11.642 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.529 -3.372 -12.744 1.00 0.00 C ATOM 1138 C LEU A 81 -4.036 -3.550 -12.594 1.00 0.00 C ATOM 1139 O LEU A 81 -4.505 -4.204 -11.661 1.00 0.00 O ATOM 1140 CB LEU A 81 -2.065 -3.954 -14.081 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.456 -5.408 -14.351 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -2.892 -5.584 -15.797 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -1.298 -6.340 -14.024 1.00 0.00 C ATOM 0 H LEU A 81 -2.201 -4.910 -11.355 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.305 -2.306 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.467 -3.335 -14.883 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.979 -3.875 -14.132 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.297 -5.664 -13.706 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.166 -6.625 -15.970 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.751 -4.944 -15.999 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.072 -5.310 -16.460 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.593 -7.370 -14.222 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.438 -6.084 -14.643 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.032 -6.234 -12.972 1.00 0.00 H new ATOM 1154 N LYS A 82 -4.791 -2.966 -13.518 1.00 0.00 N ATOM 1155 CA LYS A 82 -6.246 -3.063 -13.491 1.00 0.00 C ATOM 1156 C LYS A 82 -6.695 -4.520 -13.523 1.00 0.00 C ATOM 1157 O LYS A 82 -7.189 -5.049 -12.528 1.00 0.00 O ATOM 1158 CB LYS A 82 -6.849 -2.306 -14.678 1.00 0.00 C ATOM 1159 CG LYS A 82 -6.429 -0.849 -14.746 1.00 0.00 C ATOM 1160 CD LYS A 82 -6.353 -0.357 -16.182 1.00 0.00 C ATOM 1161 CE LYS A 82 -7.660 0.286 -16.620 1.00 0.00 C ATOM 1162 NZ LYS A 82 -8.580 -0.702 -17.250 1.00 0.00 N ATOM 0 H LYS A 82 -4.419 -2.420 -14.295 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.599 -2.613 -12.563 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.556 -2.804 -15.602 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.936 -2.360 -14.618 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.139 -0.238 -14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.458 -0.727 -14.267 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.541 0.364 -16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.118 -1.192 -16.842 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.149 0.739 -15.758 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.451 1.089 -17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.459 -0.225 -17.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.124 -1.116 -18.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.800 -1.455 -16.568 1.00 0.00 H new TER 1172 LYS A 82