USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 41 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0214) USER MOD Set 1.2: A 45 MET CE :methyl 170:sc= -0.0293 (180deg=-0.214) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.774 (180deg=-4.4!) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0 (180deg=-0.0605) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.401) USER MOD Single : A 6 ASN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.358 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= -0.0234 (180deg=-0.156) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-1.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0.107 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.62! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.3) USER MOD Single : A 50 SER OG : rot 180:sc= -0.134 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0246) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.25) USER MOD Single : A 57 TYR OH : rot 90:sc= 0.17 USER MOD Single : A 59 GLN : amide:sc= 0.71 K(o=0.71,f=-0.29) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0516) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.0482) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0287) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.439 18.705 -10.240 1.00 0.00 N ATOM 2 CA MET A 1 -6.172 18.192 -9.643 1.00 0.00 C ATOM 3 C MET A 1 -6.460 17.498 -8.310 1.00 0.00 C ATOM 4 O MET A 1 -6.803 18.133 -7.331 1.00 0.00 O ATOM 5 CB MET A 1 -5.306 19.433 -9.426 1.00 0.00 C ATOM 6 CG MET A 1 -4.642 19.830 -10.745 1.00 0.00 C ATOM 7 SD MET A 1 -3.512 21.215 -10.460 1.00 0.00 S ATOM 8 CE MET A 1 -2.012 20.235 -10.203 1.00 0.00 C ATOM 0 H1 MET A 1 -7.651 18.177 -11.111 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.218 18.581 -9.562 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.333 19.715 -10.465 1.00 0.00 H new ATOM 0 HA MET A 1 -5.680 17.459 -10.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.917 20.255 -9.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.546 19.232 -8.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.097 18.982 -11.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.400 20.110 -11.476 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.444 20.650 -9.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.285 19.204 -9.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.402 20.260 -11.106 1.00 0.00 H new ATOM 20 N LYS A 2 -6.323 16.196 -8.267 1.00 0.00 N ATOM 21 CA LYS A 2 -6.587 15.450 -7.001 1.00 0.00 C ATOM 22 C LYS A 2 -5.268 15.041 -6.342 1.00 0.00 C ATOM 23 O LYS A 2 -4.434 14.397 -6.950 1.00 0.00 O ATOM 24 CB LYS A 2 -7.379 14.213 -7.429 1.00 0.00 C ATOM 25 CG LYS A 2 -7.903 13.489 -6.188 1.00 0.00 C ATOM 26 CD LYS A 2 -8.638 12.215 -6.612 1.00 0.00 C ATOM 27 CE LYS A 2 -7.631 11.077 -6.786 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.398 9.980 -7.440 1.00 0.00 N ATOM 0 H LYS A 2 -6.039 15.617 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.131 16.052 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.210 14.504 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.744 13.545 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.076 13.240 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.575 14.141 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.381 11.945 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.174 12.386 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.786 11.388 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.227 10.758 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.773 9.163 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.192 9.700 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.765 10.311 -8.355 1.00 0.00 H new ATOM 42 N LYS A 3 -5.074 15.411 -5.098 1.00 0.00 N ATOM 43 CA LYS A 3 -3.809 15.051 -4.375 1.00 0.00 C ATOM 44 C LYS A 3 -2.578 15.486 -5.180 1.00 0.00 C ATOM 45 O LYS A 3 -2.090 14.758 -6.023 1.00 0.00 O ATOM 46 CB LYS A 3 -3.843 13.525 -4.228 1.00 0.00 C ATOM 47 CG LYS A 3 -2.721 13.070 -3.288 1.00 0.00 C ATOM 48 CD LYS A 3 -2.055 11.810 -3.846 1.00 0.00 C ATOM 49 CE LYS A 3 -0.750 11.547 -3.092 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.149 10.748 -1.900 1.00 0.00 N ATOM 0 H LYS A 3 -5.742 15.951 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.743 15.551 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.810 13.210 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.726 13.054 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.982 13.864 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.125 12.870 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.725 10.956 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.854 11.933 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.038 11.002 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.268 12.480 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.399 10.799 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.033 11.130 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.294 9.757 -2.179 1.00 0.00 H new ATOM 64 N ASP A 4 -2.078 16.665 -4.917 1.00 0.00 N ATOM 65 CA ASP A 4 -0.878 17.157 -5.653 1.00 0.00 C ATOM 66 C ASP A 4 0.399 16.610 -4.998 1.00 0.00 C ATOM 67 O ASP A 4 0.393 16.287 -3.827 1.00 0.00 O ATOM 68 CB ASP A 4 -0.934 18.680 -5.533 1.00 0.00 C ATOM 69 CG ASP A 4 -2.091 19.217 -6.378 1.00 0.00 C ATOM 70 OD1 ASP A 4 -2.046 19.046 -7.585 1.00 0.00 O ATOM 71 OD2 ASP A 4 -3.002 19.791 -5.804 1.00 0.00 O ATOM 0 H ASP A 4 -2.451 17.310 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.868 16.834 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.067 18.968 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.007 19.116 -5.867 1.00 0.00 H new ATOM 76 N PRO A 5 1.462 16.521 -5.769 1.00 0.00 N ATOM 77 CA PRO A 5 2.741 16.004 -5.221 1.00 0.00 C ATOM 78 C PRO A 5 3.369 17.024 -4.265 1.00 0.00 C ATOM 79 O PRO A 5 4.153 16.672 -3.403 1.00 0.00 O ATOM 80 CB PRO A 5 3.613 15.812 -6.460 1.00 0.00 C ATOM 81 CG PRO A 5 3.055 16.754 -7.476 1.00 0.00 C ATOM 82 CD PRO A 5 1.582 16.885 -7.191 1.00 0.00 C ATOM 0 HA PRO A 5 2.618 15.086 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.658 16.036 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.574 14.782 -6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.548 17.724 -7.414 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.221 16.376 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.228 17.900 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.992 16.222 -7.824 1.00 0.00 H new ATOM 90 N ASN A 6 3.031 18.281 -4.411 1.00 0.00 N ATOM 91 CA ASN A 6 3.610 19.328 -3.512 1.00 0.00 C ATOM 92 C ASN A 6 3.259 19.031 -2.051 1.00 0.00 C ATOM 93 O ASN A 6 4.074 19.212 -1.164 1.00 0.00 O ATOM 94 CB ASN A 6 2.965 20.643 -3.955 1.00 0.00 C ATOM 95 CG ASN A 6 3.668 21.160 -5.211 1.00 0.00 C ATOM 96 OD1 ASN A 6 3.046 21.339 -6.239 1.00 0.00 O ATOM 97 ND2 ASN A 6 4.948 21.412 -5.171 1.00 0.00 N ATOM 0 H ASN A 6 2.379 18.628 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 6 4.697 19.364 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.905 20.490 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.035 21.382 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.426 21.759 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.471 21.262 -4.308 1.00 0.00 H new ATOM 104 N ALA A 7 2.054 18.583 -1.793 1.00 0.00 N ATOM 105 CA ALA A 7 1.655 18.282 -0.386 1.00 0.00 C ATOM 106 C ALA A 7 1.617 16.763 -0.146 1.00 0.00 C ATOM 107 O ALA A 7 1.239 16.015 -1.025 1.00 0.00 O ATOM 108 CB ALA A 7 0.255 18.879 -0.231 1.00 0.00 C ATOM 0 H ALA A 7 1.333 18.414 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 7 2.361 18.697 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.108 18.698 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.295 19.953 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.421 18.413 -0.948 1.00 0.00 H new ATOM 114 N PRO A 8 1.995 16.347 1.048 1.00 0.00 N ATOM 115 CA PRO A 8 1.979 14.916 1.385 1.00 0.00 C ATOM 116 C PRO A 8 0.586 14.477 1.843 1.00 0.00 C ATOM 117 O PRO A 8 0.331 14.314 3.021 1.00 0.00 O ATOM 118 CB PRO A 8 2.996 14.784 2.495 1.00 0.00 C ATOM 119 CG PRO A 8 3.124 16.138 3.092 1.00 0.00 C ATOM 120 CD PRO A 8 2.463 17.145 2.179 1.00 0.00 C ATOM 0 HA PRO A 8 2.219 14.281 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.670 14.058 3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.954 14.435 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.658 16.160 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.175 16.390 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.637 17.653 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.165 17.915 1.860 1.00 0.00 H new ATOM 128 N LYS A 9 -0.314 14.290 0.912 1.00 0.00 N ATOM 129 CA LYS A 9 -1.709 13.865 1.263 1.00 0.00 C ATOM 130 C LYS A 9 -1.697 12.550 2.047 1.00 0.00 C ATOM 131 O LYS A 9 -0.673 12.116 2.533 1.00 0.00 O ATOM 132 CB LYS A 9 -2.414 13.691 -0.084 1.00 0.00 C ATOM 133 CG LYS A 9 -2.771 15.068 -0.647 1.00 0.00 C ATOM 134 CD LYS A 9 -4.098 15.536 -0.047 1.00 0.00 C ATOM 135 CE LYS A 9 -4.210 17.057 -0.179 1.00 0.00 C ATOM 136 NZ LYS A 9 -5.051 17.482 0.973 1.00 0.00 N ATOM 0 H LYS A 9 -0.144 14.414 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.213 14.593 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.767 13.157 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.315 13.090 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.982 15.783 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.848 15.020 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.931 15.054 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.157 15.246 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.228 17.529 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.668 17.338 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.173 18.515 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.982 17.022 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.587 17.207 1.862 1.00 0.00 H new ATOM 150 N ARG A 10 -2.847 11.933 2.183 1.00 0.00 N ATOM 151 CA ARG A 10 -2.972 10.638 2.944 1.00 0.00 C ATOM 152 C ARG A 10 -1.777 9.691 2.695 1.00 0.00 C ATOM 153 O ARG A 10 -1.181 9.722 1.638 1.00 0.00 O ATOM 154 CB ARG A 10 -4.270 10.004 2.427 1.00 0.00 C ATOM 155 CG ARG A 10 -4.168 9.767 0.917 1.00 0.00 C ATOM 156 CD ARG A 10 -5.402 8.996 0.432 1.00 0.00 C ATOM 157 NE ARG A 10 -6.249 10.014 -0.250 1.00 0.00 N ATOM 158 CZ ARG A 10 -7.548 9.884 -0.256 1.00 0.00 C ATOM 159 NH1 ARG A 10 -8.085 8.717 -0.488 1.00 0.00 N ATOM 160 NH2 ARG A 10 -8.309 10.920 -0.034 1.00 0.00 N ATOM 0 H ARG A 10 -3.725 12.276 1.792 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.983 10.817 4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.454 9.060 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.116 10.656 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.093 10.720 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.262 9.205 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.123 8.193 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.932 8.535 1.265 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.814 10.813 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.490 7.908 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.100 8.614 -0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.889 11.832 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.324 10.818 -0.039 1.00 0.00 H new ATOM 174 N PRO A 11 -1.454 8.887 3.688 1.00 0.00 N ATOM 175 CA PRO A 11 -0.309 7.951 3.558 1.00 0.00 C ATOM 176 C PRO A 11 -0.638 6.807 2.587 1.00 0.00 C ATOM 177 O PRO A 11 -1.790 6.453 2.422 1.00 0.00 O ATOM 178 CB PRO A 11 -0.114 7.420 4.977 1.00 0.00 C ATOM 179 CG PRO A 11 -1.447 7.574 5.634 1.00 0.00 C ATOM 180 CD PRO A 11 -2.109 8.771 5.004 1.00 0.00 C ATOM 0 HA PRO A 11 0.584 8.432 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.204 6.377 4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.655 7.983 5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.053 6.679 5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.334 7.716 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.185 8.626 4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.963 9.670 5.603 1.00 0.00 H new ATOM 188 N PRO A 12 0.387 6.257 1.969 1.00 0.00 N ATOM 189 CA PRO A 12 0.184 5.141 1.009 1.00 0.00 C ATOM 190 C PRO A 12 -0.194 3.850 1.739 1.00 0.00 C ATOM 191 O PRO A 12 0.253 3.593 2.841 1.00 0.00 O ATOM 192 CB PRO A 12 1.549 4.986 0.338 1.00 0.00 C ATOM 193 CG PRO A 12 2.526 5.535 1.323 1.00 0.00 C ATOM 194 CD PRO A 12 1.812 6.611 2.096 1.00 0.00 C ATOM 0 HA PRO A 12 -0.623 5.341 0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.761 3.941 0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.590 5.531 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.882 4.751 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.400 5.941 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.127 6.629 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.016 7.600 1.685 1.00 0.00 H new ATOM 202 N SER A 13 -0.993 3.029 1.111 1.00 0.00 N ATOM 203 CA SER A 13 -1.390 1.733 1.734 1.00 0.00 C ATOM 204 C SER A 13 -0.637 0.604 1.031 1.00 0.00 C ATOM 205 O SER A 13 -0.343 0.698 -0.142 1.00 0.00 O ATOM 206 CB SER A 13 -2.894 1.614 1.491 1.00 0.00 C ATOM 207 OG SER A 13 -3.593 2.235 2.563 1.00 0.00 O ATOM 0 H SER A 13 -1.390 3.202 0.187 1.00 0.00 H new ATOM 0 HA SER A 13 -1.159 1.679 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.160 2.087 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.180 0.565 1.414 1.00 0.00 H new ATOM 0 HG SER A 13 -4.558 2.162 2.410 1.00 0.00 H new ATOM 213 N ALA A 14 -0.330 -0.467 1.725 1.00 0.00 N ATOM 214 CA ALA A 14 0.406 -1.602 1.073 1.00 0.00 C ATOM 215 C ALA A 14 -0.331 -2.061 -0.190 1.00 0.00 C ATOM 216 O ALA A 14 0.275 -2.324 -1.211 1.00 0.00 O ATOM 217 CB ALA A 14 0.434 -2.719 2.113 1.00 0.00 C ATOM 0 H ALA A 14 -0.555 -0.606 2.710 1.00 0.00 H new ATOM 0 HA ALA A 14 1.411 -1.312 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.958 -3.583 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.951 -2.371 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.587 -3.002 2.371 1.00 0.00 H new ATOM 223 N PHE A 15 -1.636 -2.140 -0.125 1.00 0.00 N ATOM 224 CA PHE A 15 -2.421 -2.562 -1.322 1.00 0.00 C ATOM 225 C PHE A 15 -2.327 -1.482 -2.406 1.00 0.00 C ATOM 226 O PHE A 15 -2.451 -1.764 -3.583 1.00 0.00 O ATOM 227 CB PHE A 15 -3.866 -2.712 -0.826 1.00 0.00 C ATOM 228 CG PHE A 15 -4.766 -3.120 -1.973 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.436 -4.225 -2.767 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.930 -2.389 -2.241 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.270 -4.599 -3.828 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.764 -2.764 -3.301 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.433 -3.868 -4.095 1.00 0.00 C ATOM 0 H PHE A 15 -2.190 -1.930 0.705 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.052 -3.490 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.912 -3.459 -0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.212 -1.771 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.538 -4.789 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.184 -1.536 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.016 -5.452 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.663 -2.201 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.075 -4.156 -4.914 1.00 0.00 H new ATOM 243 N PHE A 16 -2.107 -0.249 -2.016 1.00 0.00 N ATOM 244 CA PHE A 16 -2.005 0.849 -3.024 1.00 0.00 C ATOM 245 C PHE A 16 -0.716 0.703 -3.828 1.00 0.00 C ATOM 246 O PHE A 16 -0.690 0.969 -5.016 1.00 0.00 O ATOM 247 CB PHE A 16 -2.001 2.149 -2.219 1.00 0.00 C ATOM 248 CG PHE A 16 -2.483 3.283 -3.091 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.843 3.397 -3.401 1.00 0.00 C ATOM 250 CD2 PHE A 16 -1.570 4.219 -3.592 1.00 0.00 C ATOM 251 CE1 PHE A 16 -4.292 4.449 -4.210 1.00 0.00 C ATOM 252 CE2 PHE A 16 -2.018 5.270 -4.400 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.378 5.384 -4.710 1.00 0.00 C ATOM 0 H PHE A 16 -1.994 0.042 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.829 0.828 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.644 2.050 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.996 2.359 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.547 2.674 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.520 4.130 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.342 4.538 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.314 5.993 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.723 6.194 -5.336 1.00 0.00 H new ATOM 263 N LEU A 17 0.348 0.248 -3.206 1.00 0.00 N ATOM 264 CA LEU A 17 1.618 0.050 -3.965 1.00 0.00 C ATOM 265 C LEU A 17 1.368 -1.056 -4.993 1.00 0.00 C ATOM 266 O LEU A 17 1.237 -0.786 -6.169 1.00 0.00 O ATOM 267 CB LEU A 17 2.661 -0.362 -2.923 1.00 0.00 C ATOM 268 CG LEU A 17 3.141 0.886 -2.172 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.116 1.277 -1.111 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.477 0.600 -1.488 1.00 0.00 C ATOM 0 H LEU A 17 0.389 0.008 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 17 1.961 0.936 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.231 -1.079 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.503 -0.856 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 17 3.262 1.700 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.462 2.164 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.160 1.490 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.993 0.456 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.812 1.491 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.355 -0.220 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.218 0.325 -2.238 1.00 0.00 H new ATOM 282 N PHE A 18 1.298 -2.293 -4.536 1.00 0.00 N ATOM 283 CA PHE A 18 1.038 -3.475 -5.446 1.00 0.00 C ATOM 284 C PHE A 18 0.080 -3.088 -6.598 1.00 0.00 C ATOM 285 O PHE A 18 0.385 -3.299 -7.758 1.00 0.00 O ATOM 286 CB PHE A 18 0.411 -4.536 -4.514 1.00 0.00 C ATOM 287 CG PHE A 18 -0.239 -5.658 -5.305 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.525 -6.746 -5.744 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.610 -5.605 -5.587 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.084 -7.782 -6.466 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.217 -6.639 -6.309 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.455 -7.728 -6.748 1.00 0.00 C ATOM 0 H PHE A 18 1.412 -2.540 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 18 1.942 -3.840 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.180 -4.948 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.333 -4.064 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.582 -6.787 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.199 -4.766 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.504 -8.622 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.274 -6.597 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.924 -8.526 -7.304 1.00 0.00 H new ATOM 302 N CYS A 19 -1.062 -2.516 -6.286 1.00 0.00 N ATOM 303 CA CYS A 19 -2.015 -2.113 -7.367 1.00 0.00 C ATOM 304 C CYS A 19 -1.358 -1.074 -8.280 1.00 0.00 C ATOM 305 O CYS A 19 -1.425 -1.167 -9.492 1.00 0.00 O ATOM 306 CB CYS A 19 -3.225 -1.511 -6.638 1.00 0.00 C ATOM 307 SG CYS A 19 -4.476 -0.978 -7.837 1.00 0.00 S ATOM 0 H CYS A 19 -1.372 -2.313 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.306 -2.953 -7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.653 -2.248 -5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.908 -0.663 -6.031 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.494 -0.473 -7.206 1.00 0.00 H new ATOM 313 N SER A 20 -0.724 -0.085 -7.703 1.00 0.00 N ATOM 314 CA SER A 20 -0.057 0.976 -8.526 1.00 0.00 C ATOM 315 C SER A 20 0.897 0.350 -9.552 1.00 0.00 C ATOM 316 O SER A 20 1.094 0.885 -10.628 1.00 0.00 O ATOM 317 CB SER A 20 0.725 1.830 -7.526 1.00 0.00 C ATOM 318 OG SER A 20 1.275 2.954 -8.199 1.00 0.00 O ATOM 0 H SER A 20 -0.638 0.036 -6.694 1.00 0.00 H new ATOM 0 HA SER A 20 -0.782 1.564 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.069 2.159 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.520 1.240 -7.069 1.00 0.00 H new ATOM 0 HG SER A 20 1.776 3.504 -7.561 1.00 0.00 H new ATOM 324 N GLU A 21 1.492 -0.772 -9.226 1.00 0.00 N ATOM 325 CA GLU A 21 2.444 -1.422 -10.197 1.00 0.00 C ATOM 326 C GLU A 21 1.692 -2.376 -11.132 1.00 0.00 C ATOM 327 O GLU A 21 2.062 -2.527 -12.282 1.00 0.00 O ATOM 328 CB GLU A 21 3.565 -2.200 -9.429 1.00 0.00 C ATOM 329 CG GLU A 21 3.458 -2.118 -7.891 1.00 0.00 C ATOM 330 CD GLU A 21 3.671 -0.672 -7.415 1.00 0.00 C ATOM 331 OE1 GLU A 21 3.675 0.222 -8.247 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.826 -0.486 -6.219 1.00 0.00 O ATOM 0 H GLU A 21 1.366 -1.265 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 21 2.907 -0.638 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.533 -3.248 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.536 -1.810 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.479 -2.473 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.201 -2.771 -7.433 1.00 0.00 H new ATOM 339 N HIS A 22 0.645 -3.020 -10.667 1.00 0.00 N ATOM 340 CA HIS A 22 -0.110 -3.957 -11.557 1.00 0.00 C ATOM 341 C HIS A 22 -1.308 -3.247 -12.202 1.00 0.00 C ATOM 342 O HIS A 22 -2.229 -3.885 -12.676 1.00 0.00 O ATOM 343 CB HIS A 22 -0.597 -5.075 -10.635 1.00 0.00 C ATOM 344 CG HIS A 22 0.581 -5.854 -10.119 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.369 -6.639 -10.947 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.113 -5.985 -8.861 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.323 -7.202 -10.182 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.213 -6.835 -8.903 1.00 0.00 N ATOM 0 H HIS A 22 0.284 -2.937 -9.717 1.00 0.00 H new ATOM 0 HA HIS A 22 0.512 -4.331 -12.370 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.160 -4.654 -9.802 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.274 -5.736 -11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.735 -5.501 -7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.085 -7.869 -10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.808 -7.117 -8.124 1.00 0.00 H new ATOM 356 N ARG A 23 -1.303 -1.937 -12.225 1.00 0.00 N ATOM 357 CA ARG A 23 -2.439 -1.190 -12.841 1.00 0.00 C ATOM 358 C ARG A 23 -2.267 -1.058 -14.370 1.00 0.00 C ATOM 359 O ARG A 23 -3.224 -1.256 -15.093 1.00 0.00 O ATOM 360 CB ARG A 23 -2.436 0.183 -12.161 1.00 0.00 C ATOM 361 CG ARG A 23 -3.689 0.958 -12.572 1.00 0.00 C ATOM 362 CD ARG A 23 -3.513 2.437 -12.221 1.00 0.00 C ATOM 363 NE ARG A 23 -3.477 2.476 -10.733 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.995 3.489 -10.094 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.657 4.707 -10.417 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.853 3.283 -9.132 1.00 0.00 N ATOM 0 H ARG A 23 -0.559 -1.353 -11.843 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.386 -1.711 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.408 0.064 -11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.542 0.739 -12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.864 0.846 -13.642 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.563 0.554 -12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.594 2.838 -12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.335 3.036 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.047 1.711 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.987 4.868 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.062 5.498 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.118 2.331 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.258 4.074 -8.632 1.00 0.00 H new ATOM 380 N PRO A 24 -1.071 -0.735 -14.837 1.00 0.00 N ATOM 381 CA PRO A 24 -0.866 -0.602 -16.302 1.00 0.00 C ATOM 382 C PRO A 24 -0.779 -1.983 -16.974 1.00 0.00 C ATOM 383 O PRO A 24 -0.759 -2.083 -18.186 1.00 0.00 O ATOM 384 CB PRO A 24 0.460 0.141 -16.421 1.00 0.00 C ATOM 385 CG PRO A 24 1.197 -0.159 -15.156 1.00 0.00 C ATOM 386 CD PRO A 24 0.173 -0.468 -14.091 1.00 0.00 C ATOM 0 HA PRO A 24 -1.688 -0.081 -16.793 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.022 -0.195 -17.292 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.301 1.213 -16.538 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.870 -1.005 -15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.812 0.691 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.470 -1.330 -13.494 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.051 0.369 -13.404 1.00 0.00 H new ATOM 394 N LYS A 25 -0.735 -3.046 -16.202 1.00 0.00 N ATOM 395 CA LYS A 25 -0.659 -4.410 -16.805 1.00 0.00 C ATOM 396 C LYS A 25 -2.067 -4.897 -17.153 1.00 0.00 C ATOM 397 O LYS A 25 -2.278 -5.547 -18.160 1.00 0.00 O ATOM 398 CB LYS A 25 -0.037 -5.291 -15.720 1.00 0.00 C ATOM 399 CG LYS A 25 0.143 -6.712 -16.256 1.00 0.00 C ATOM 400 CD LYS A 25 0.835 -7.574 -15.197 1.00 0.00 C ATOM 401 CE LYS A 25 0.720 -9.050 -15.585 1.00 0.00 C ATOM 402 NZ LYS A 25 1.939 -9.330 -16.395 1.00 0.00 N ATOM 0 H LYS A 25 -0.749 -3.024 -15.182 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.073 -4.430 -17.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.926 -4.882 -15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.675 -5.303 -14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.826 -7.141 -16.513 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.736 -6.695 -17.170 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.884 -7.290 -15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.378 -7.407 -14.222 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.677 -9.688 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.187 -9.238 -16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.933 -10.325 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.949 -8.712 -17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.787 -9.149 -15.821 1.00 0.00 H new ATOM 416 N ILE A 26 -3.031 -4.576 -16.328 1.00 0.00 N ATOM 417 CA ILE A 26 -4.436 -5.004 -16.603 1.00 0.00 C ATOM 418 C ILE A 26 -5.017 -4.209 -17.782 1.00 0.00 C ATOM 419 O ILE A 26 -6.013 -4.595 -18.360 1.00 0.00 O ATOM 420 CB ILE A 26 -5.210 -4.699 -15.310 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.600 -5.485 -14.138 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.683 -5.090 -15.477 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.658 -6.992 -14.415 1.00 0.00 C ATOM 0 H ILE A 26 -2.905 -4.034 -15.473 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.498 -6.058 -16.874 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.143 -3.631 -15.102 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.566 -5.177 -13.985 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.140 -5.257 -13.219 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.224 -4.871 -14.557 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.119 -4.522 -16.299 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.754 -6.156 -15.695 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.222 -7.533 -13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.696 -7.298 -14.545 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.097 -7.217 -15.322 1.00 0.00 H new ATOM 435 N LYS A 27 -4.402 -3.107 -18.143 1.00 0.00 N ATOM 436 CA LYS A 27 -4.922 -2.294 -19.285 1.00 0.00 C ATOM 437 C LYS A 27 -4.552 -2.939 -20.628 1.00 0.00 C ATOM 438 O LYS A 27 -5.143 -2.636 -21.647 1.00 0.00 O ATOM 439 CB LYS A 27 -4.247 -0.929 -19.140 1.00 0.00 C ATOM 440 CG LYS A 27 -4.984 -0.109 -18.081 1.00 0.00 C ATOM 441 CD LYS A 27 -4.357 1.284 -17.987 1.00 0.00 C ATOM 442 CE LYS A 27 -5.291 2.212 -17.206 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.146 1.795 -15.784 1.00 0.00 N ATOM 0 H LYS A 27 -3.563 -2.737 -17.695 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.009 -2.218 -19.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.202 -1.056 -18.856 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.256 -0.403 -20.095 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.040 -0.028 -18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.929 -0.610 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.388 1.226 -17.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.181 1.684 -18.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.013 3.257 -17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.322 2.110 -17.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.075 1.518 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.493 0.987 -15.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.768 2.588 -15.227 1.00 0.00 H new ATOM 457 N SER A 28 -3.582 -3.823 -20.638 1.00 0.00 N ATOM 458 CA SER A 28 -3.182 -4.484 -21.919 1.00 0.00 C ATOM 459 C SER A 28 -4.236 -5.514 -22.333 1.00 0.00 C ATOM 460 O SER A 28 -4.577 -5.632 -23.495 1.00 0.00 O ATOM 461 CB SER A 28 -1.850 -5.172 -21.617 1.00 0.00 C ATOM 462 OG SER A 28 -1.323 -5.723 -22.817 1.00 0.00 O ATOM 0 H SER A 28 -3.052 -4.114 -19.816 1.00 0.00 H new ATOM 0 HA SER A 28 -3.093 -3.771 -22.739 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.146 -4.456 -21.192 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.993 -5.957 -20.875 1.00 0.00 H new ATOM 0 HG SER A 28 -0.468 -6.163 -22.627 1.00 0.00 H new ATOM 468 N GLU A 29 -4.752 -6.258 -21.388 1.00 0.00 N ATOM 469 CA GLU A 29 -5.786 -7.286 -21.716 1.00 0.00 C ATOM 470 C GLU A 29 -7.204 -6.748 -21.463 1.00 0.00 C ATOM 471 O GLU A 29 -8.179 -7.443 -21.680 1.00 0.00 O ATOM 472 CB GLU A 29 -5.487 -8.456 -20.778 1.00 0.00 C ATOM 473 CG GLU A 29 -4.318 -9.271 -21.336 1.00 0.00 C ATOM 474 CD GLU A 29 -4.820 -10.183 -22.457 1.00 0.00 C ATOM 475 OE1 GLU A 29 -5.600 -11.074 -22.164 1.00 0.00 O ATOM 476 OE2 GLU A 29 -4.416 -9.974 -23.589 1.00 0.00 O ATOM 0 H GLU A 29 -4.501 -6.198 -20.401 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.749 -7.573 -22.767 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.243 -8.085 -19.783 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.369 -9.088 -20.675 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.544 -8.604 -21.715 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.865 -9.867 -20.543 1.00 0.00 H new ATOM 483 N HIS A 30 -7.332 -5.519 -21.013 1.00 0.00 N ATOM 484 CA HIS A 30 -8.691 -4.949 -20.758 1.00 0.00 C ATOM 485 C HIS A 30 -8.706 -3.453 -21.107 1.00 0.00 C ATOM 486 O HIS A 30 -8.479 -2.622 -20.250 1.00 0.00 O ATOM 487 CB HIS A 30 -8.953 -5.148 -19.261 1.00 0.00 C ATOM 488 CG HIS A 30 -8.889 -6.610 -18.915 1.00 0.00 C ATOM 489 ND1 HIS A 30 -10.025 -7.398 -18.815 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.833 -7.438 -18.635 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.628 -8.642 -18.487 1.00 0.00 C ATOM 492 NE2 HIS A 30 -8.300 -8.720 -18.364 1.00 0.00 N ATOM 0 H HIS A 30 -6.554 -4.890 -20.813 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.455 -5.435 -21.365 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.216 -4.596 -18.678 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.932 -4.747 -18.999 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.795 -7.140 -18.626 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.300 -9.474 -18.341 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.747 -9.543 -18.123 1.00 0.00 H new ATOM 500 N PRO A 31 -8.977 -3.149 -22.358 1.00 0.00 N ATOM 501 CA PRO A 31 -9.017 -1.730 -22.797 1.00 0.00 C ATOM 502 C PRO A 31 -10.219 -1.011 -22.174 1.00 0.00 C ATOM 503 O PRO A 31 -11.358 -1.322 -22.469 1.00 0.00 O ATOM 504 CB PRO A 31 -9.164 -1.828 -24.315 1.00 0.00 C ATOM 505 CG PRO A 31 -9.784 -3.165 -24.552 1.00 0.00 C ATOM 506 CD PRO A 31 -9.266 -4.071 -23.468 1.00 0.00 C ATOM 0 HA PRO A 31 -8.136 -1.162 -22.496 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.792 -1.026 -24.704 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.197 -1.746 -24.812 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.872 -3.100 -24.518 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.518 -3.547 -25.538 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.005 -4.821 -23.185 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.373 -4.608 -23.787 1.00 0.00 H new ATOM 514 N GLY A 32 -9.969 -0.055 -21.315 1.00 0.00 N ATOM 515 CA GLY A 32 -11.090 0.688 -20.667 1.00 0.00 C ATOM 516 C GLY A 32 -11.314 0.182 -19.234 1.00 0.00 C ATOM 517 O GLY A 32 -12.055 0.775 -18.475 1.00 0.00 O ATOM 0 H GLY A 32 -9.035 0.243 -21.035 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.866 1.755 -20.651 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.002 0.562 -21.250 1.00 0.00 H new ATOM 521 N LEU A 33 -10.690 -0.915 -18.856 1.00 0.00 N ATOM 522 CA LEU A 33 -10.879 -1.465 -17.470 1.00 0.00 C ATOM 523 C LEU A 33 -10.672 -0.381 -16.406 1.00 0.00 C ATOM 524 O LEU A 33 -9.569 0.070 -16.165 1.00 0.00 O ATOM 525 CB LEU A 33 -9.817 -2.564 -17.331 1.00 0.00 C ATOM 526 CG LEU A 33 -10.348 -3.724 -16.474 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.686 -3.219 -15.071 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.606 -4.322 -17.116 1.00 0.00 C ATOM 0 H LEU A 33 -10.058 -1.453 -19.449 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.891 -1.844 -17.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.536 -2.933 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.916 -2.151 -16.876 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.578 -4.493 -16.409 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.062 -4.045 -14.468 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.789 -2.809 -14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.448 -2.442 -15.138 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.974 -5.143 -16.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.375 -3.554 -17.193 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.364 -4.695 -18.111 1.00 0.00 H new ATOM 540 N SER A 34 -11.738 0.026 -15.772 1.00 0.00 N ATOM 541 CA SER A 34 -11.639 1.076 -14.712 1.00 0.00 C ATOM 542 C SER A 34 -10.922 0.511 -13.482 1.00 0.00 C ATOM 543 O SER A 34 -10.326 -0.549 -13.537 1.00 0.00 O ATOM 544 CB SER A 34 -13.088 1.439 -14.372 1.00 0.00 C ATOM 545 OG SER A 34 -13.885 0.260 -14.372 1.00 0.00 O ATOM 0 H SER A 34 -12.680 -0.325 -15.942 1.00 0.00 H new ATOM 0 HA SER A 34 -11.072 1.946 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.134 1.922 -13.396 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.476 2.153 -15.099 1.00 0.00 H new ATOM 0 HG SER A 34 -14.812 0.492 -14.153 1.00 0.00 H new ATOM 551 N ILE A 35 -10.977 1.208 -12.374 1.00 0.00 N ATOM 552 CA ILE A 35 -10.300 0.712 -11.136 1.00 0.00 C ATOM 553 C ILE A 35 -11.262 -0.151 -10.300 1.00 0.00 C ATOM 554 O ILE A 35 -11.017 -0.409 -9.137 1.00 0.00 O ATOM 555 CB ILE A 35 -9.901 1.978 -10.365 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.994 2.867 -11.237 1.00 0.00 C ATOM 557 CG2 ILE A 35 -9.156 1.591 -9.083 1.00 0.00 C ATOM 558 CD1 ILE A 35 -7.724 2.105 -11.636 1.00 0.00 C ATOM 0 H ILE A 35 -11.462 2.100 -12.273 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.439 0.085 -11.365 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.804 2.532 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.533 3.182 -12.131 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.727 3.772 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.875 2.493 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.804 0.977 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.259 1.028 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.093 2.746 -12.252 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.178 1.813 -10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.997 1.214 -12.201 1.00 0.00 H new ATOM 570 N GLY A 36 -12.350 -0.602 -10.883 1.00 0.00 N ATOM 571 CA GLY A 36 -13.316 -1.447 -10.121 1.00 0.00 C ATOM 572 C GLY A 36 -12.982 -2.924 -10.340 1.00 0.00 C ATOM 573 O GLY A 36 -12.629 -3.632 -9.416 1.00 0.00 O ATOM 0 H GLY A 36 -12.607 -0.419 -11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.268 -1.206 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.335 -1.241 -10.449 1.00 0.00 H new ATOM 577 N ASP A 37 -13.088 -3.389 -11.560 1.00 0.00 N ATOM 578 CA ASP A 37 -12.774 -4.823 -11.849 1.00 0.00 C ATOM 579 C ASP A 37 -11.299 -5.103 -11.550 1.00 0.00 C ATOM 580 O ASP A 37 -10.960 -6.092 -10.929 1.00 0.00 O ATOM 581 CB ASP A 37 -13.062 -5.008 -13.341 1.00 0.00 C ATOM 582 CG ASP A 37 -14.573 -5.105 -13.561 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.149 -6.097 -13.146 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.127 -4.186 -14.141 1.00 0.00 O ATOM 0 H ASP A 37 -13.378 -2.838 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.364 -5.506 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.654 -4.171 -13.907 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.572 -5.910 -13.708 1.00 0.00 H new ATOM 589 N THR A 38 -10.422 -4.232 -11.985 1.00 0.00 N ATOM 590 CA THR A 38 -8.962 -4.435 -11.725 1.00 0.00 C ATOM 591 C THR A 38 -8.711 -4.472 -10.210 1.00 0.00 C ATOM 592 O THR A 38 -7.881 -5.220 -9.730 1.00 0.00 O ATOM 593 CB THR A 38 -8.270 -3.229 -12.400 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.277 -3.421 -13.806 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.817 -3.089 -11.926 1.00 0.00 C ATOM 0 H THR A 38 -10.654 -3.388 -12.509 1.00 0.00 H new ATOM 0 HA THR A 38 -8.578 -5.375 -12.121 1.00 0.00 H new ATOM 0 HB THR A 38 -8.813 -2.323 -12.131 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.841 -2.659 -14.242 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.355 -2.233 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.799 -2.941 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.263 -3.994 -12.178 1.00 0.00 H new ATOM 603 N ALA A 39 -9.431 -3.676 -9.460 1.00 0.00 N ATOM 604 CA ALA A 39 -9.246 -3.668 -7.977 1.00 0.00 C ATOM 605 C ALA A 39 -9.706 -5.004 -7.391 1.00 0.00 C ATOM 606 O ALA A 39 -9.192 -5.462 -6.388 1.00 0.00 O ATOM 607 CB ALA A 39 -10.127 -2.525 -7.466 1.00 0.00 C ATOM 0 H ALA A 39 -10.139 -3.031 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.204 -3.530 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.043 -2.458 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.801 -1.586 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.165 -2.716 -7.738 1.00 0.00 H new ATOM 613 N LYS A 40 -10.667 -5.634 -8.019 1.00 0.00 N ATOM 614 CA LYS A 40 -11.163 -6.948 -7.515 1.00 0.00 C ATOM 615 C LYS A 40 -10.199 -8.062 -7.930 1.00 0.00 C ATOM 616 O LYS A 40 -10.057 -9.058 -7.245 1.00 0.00 O ATOM 617 CB LYS A 40 -12.528 -7.142 -8.179 1.00 0.00 C ATOM 618 CG LYS A 40 -13.592 -6.375 -7.392 1.00 0.00 C ATOM 619 CD LYS A 40 -14.884 -6.309 -8.210 1.00 0.00 C ATOM 620 CE LYS A 40 -15.980 -5.636 -7.379 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.085 -5.375 -8.343 1.00 0.00 N ATOM 0 H LYS A 40 -11.130 -5.293 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.236 -6.975 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.497 -6.788 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.780 -8.202 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.778 -6.867 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.239 -5.368 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.716 -5.750 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.196 -7.313 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.310 -6.281 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.622 -4.710 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.875 -4.914 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.743 -4.754 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.410 -6.275 -8.751 1.00 0.00 H new ATOM 635 N LYS A 41 -9.534 -7.894 -9.044 1.00 0.00 N ATOM 636 CA LYS A 41 -8.568 -8.934 -9.513 1.00 0.00 C ATOM 637 C LYS A 41 -7.191 -8.719 -8.868 1.00 0.00 C ATOM 638 O LYS A 41 -6.380 -9.624 -8.808 1.00 0.00 O ATOM 639 CB LYS A 41 -8.486 -8.741 -11.028 1.00 0.00 C ATOM 640 CG LYS A 41 -7.859 -9.980 -11.667 1.00 0.00 C ATOM 641 CD LYS A 41 -8.258 -10.051 -13.143 1.00 0.00 C ATOM 642 CE LYS A 41 -7.517 -11.207 -13.818 1.00 0.00 C ATOM 643 NZ LYS A 41 -6.195 -10.642 -14.206 1.00 0.00 N ATOM 0 H LYS A 41 -9.618 -7.079 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.886 -9.941 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.482 -8.572 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.891 -7.858 -11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.774 -9.940 -11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.191 -10.878 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.335 -10.194 -13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.018 -9.111 -13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.401 -12.052 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.062 -11.570 -14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.468 -11.383 -14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.242 -10.287 -15.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.950 -9.861 -13.565 1.00 0.00 H new ATOM 657 N LEU A 42 -6.926 -7.529 -8.384 1.00 0.00 N ATOM 658 CA LEU A 42 -5.609 -7.250 -7.739 1.00 0.00 C ATOM 659 C LEU A 42 -5.670 -7.594 -6.252 1.00 0.00 C ATOM 660 O LEU A 42 -4.825 -8.298 -5.735 1.00 0.00 O ATOM 661 CB LEU A 42 -5.395 -5.751 -7.928 1.00 0.00 C ATOM 662 CG LEU A 42 -4.462 -5.509 -9.112 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.143 -5.950 -10.407 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.139 -4.022 -9.192 1.00 0.00 C ATOM 0 H LEU A 42 -7.569 -6.738 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.800 -7.840 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.351 -5.256 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.969 -5.318 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.545 -6.083 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.473 -5.775 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.383 -7.012 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.060 -5.378 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.473 -3.839 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.061 -3.456 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.652 -3.705 -8.270 1.00 0.00 H new ATOM 676 N GLY A 43 -6.674 -7.106 -5.561 1.00 0.00 N ATOM 677 CA GLY A 43 -6.807 -7.408 -4.100 1.00 0.00 C ATOM 678 C GLY A 43 -6.816 -8.925 -3.892 1.00 0.00 C ATOM 679 O GLY A 43 -6.400 -9.421 -2.862 1.00 0.00 O ATOM 0 H GLY A 43 -7.407 -6.511 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.981 -6.959 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.726 -6.971 -3.709 1.00 0.00 H new ATOM 683 N GLU A 44 -7.257 -9.663 -4.882 1.00 0.00 N ATOM 684 CA GLU A 44 -7.259 -11.147 -4.765 1.00 0.00 C ATOM 685 C GLU A 44 -5.820 -11.643 -4.883 1.00 0.00 C ATOM 686 O GLU A 44 -5.408 -12.563 -4.203 1.00 0.00 O ATOM 687 CB GLU A 44 -8.105 -11.650 -5.937 1.00 0.00 C ATOM 688 CG GLU A 44 -8.269 -13.167 -5.836 1.00 0.00 C ATOM 689 CD GLU A 44 -9.436 -13.494 -4.902 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.566 -13.243 -5.288 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.180 -13.991 -3.817 1.00 0.00 O ATOM 0 H GLU A 44 -7.615 -9.298 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.662 -11.501 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.082 -11.167 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.629 -11.387 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.451 -13.590 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.351 -13.618 -5.460 1.00 0.00 H new ATOM 698 N MET A 45 -5.048 -11.018 -5.740 1.00 0.00 N ATOM 699 CA MET A 45 -3.623 -11.424 -5.908 1.00 0.00 C ATOM 700 C MET A 45 -2.786 -10.841 -4.767 1.00 0.00 C ATOM 701 O MET A 45 -1.950 -11.515 -4.202 1.00 0.00 O ATOM 702 CB MET A 45 -3.189 -10.827 -7.249 1.00 0.00 C ATOM 703 CG MET A 45 -3.579 -11.779 -8.382 1.00 0.00 C ATOM 704 SD MET A 45 -3.013 -11.098 -9.962 1.00 0.00 S ATOM 705 CE MET A 45 -4.408 -11.665 -10.966 1.00 0.00 C ATOM 0 H MET A 45 -5.348 -10.242 -6.331 1.00 0.00 H new ATOM 0 HA MET A 45 -3.493 -12.506 -5.889 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.662 -9.856 -7.397 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.112 -10.661 -7.254 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.135 -12.760 -8.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.660 -11.918 -8.400 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.358 -11.203 -11.952 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.364 -12.749 -11.070 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.343 -11.384 -10.481 1.00 0.00 H new ATOM 715 N TRP A 46 -3.030 -9.600 -4.402 1.00 0.00 N ATOM 716 CA TRP A 46 -2.268 -8.960 -3.270 1.00 0.00 C ATOM 717 C TRP A 46 -2.301 -9.873 -2.036 1.00 0.00 C ATOM 718 O TRP A 46 -1.280 -10.169 -1.445 1.00 0.00 O ATOM 719 CB TRP A 46 -3.001 -7.631 -3.008 1.00 0.00 C ATOM 720 CG TRP A 46 -2.450 -6.967 -1.786 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.166 -6.618 -0.692 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.079 -6.573 -1.522 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.313 -6.032 0.228 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.014 -5.982 -0.241 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.103 -6.672 -2.270 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.188 -5.506 0.282 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.314 -6.195 -1.751 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.356 -5.613 -0.478 1.00 0.00 C ATOM 0 H TRP A 46 -3.727 -8.999 -4.841 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.216 -8.796 -3.504 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.892 -6.972 -3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.068 -7.815 -2.881 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.227 -6.771 -0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.607 -5.681 1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.080 -7.119 -3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.216 -5.059 1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.219 -6.277 -2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.292 -5.246 -0.083 1.00 0.00 H new ATOM 739 N SER A 47 -3.469 -10.327 -1.657 1.00 0.00 N ATOM 740 CA SER A 47 -3.579 -11.234 -0.473 1.00 0.00 C ATOM 741 C SER A 47 -2.903 -12.586 -0.757 1.00 0.00 C ATOM 742 O SER A 47 -2.753 -13.404 0.131 1.00 0.00 O ATOM 743 CB SER A 47 -5.081 -11.428 -0.255 1.00 0.00 C ATOM 744 OG SER A 47 -5.319 -11.772 1.104 1.00 0.00 O ATOM 0 H SER A 47 -4.353 -10.109 -2.117 1.00 0.00 H new ATOM 0 HA SER A 47 -3.086 -10.814 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.618 -10.514 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.457 -12.213 -0.912 1.00 0.00 H new ATOM 0 HG SER A 47 -6.281 -11.895 1.247 1.00 0.00 H new ATOM 750 N GLU A 48 -2.484 -12.826 -1.981 1.00 0.00 N ATOM 751 CA GLU A 48 -1.812 -14.111 -2.312 1.00 0.00 C ATOM 752 C GLU A 48 -0.302 -13.904 -2.450 1.00 0.00 C ATOM 753 O GLU A 48 0.456 -14.856 -2.421 1.00 0.00 O ATOM 754 CB GLU A 48 -2.419 -14.533 -3.651 1.00 0.00 C ATOM 755 CG GLU A 48 -3.682 -15.361 -3.404 1.00 0.00 C ATOM 756 CD GLU A 48 -3.288 -16.769 -2.952 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.941 -16.922 -1.792 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.342 -17.670 -3.773 1.00 0.00 O ATOM 0 H GLU A 48 -2.583 -12.179 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.956 -14.865 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.660 -13.652 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.696 -15.115 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.300 -14.883 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.279 -15.413 -4.314 1.00 0.00 H new ATOM 765 N GLN A 49 0.153 -12.675 -2.591 1.00 0.00 N ATOM 766 CA GLN A 49 1.622 -12.442 -2.718 1.00 0.00 C ATOM 767 C GLN A 49 2.320 -12.893 -1.439 1.00 0.00 C ATOM 768 O GLN A 49 1.809 -12.719 -0.350 1.00 0.00 O ATOM 769 CB GLN A 49 1.800 -10.923 -2.898 1.00 0.00 C ATOM 770 CG GLN A 49 1.069 -10.434 -4.154 1.00 0.00 C ATOM 771 CD GLN A 49 1.580 -11.176 -5.393 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.730 -11.568 -5.452 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.767 -11.384 -6.393 1.00 0.00 N ATOM 0 H GLN A 49 -0.427 -11.837 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 49 2.048 -12.996 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.416 -10.401 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.861 -10.683 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.004 -10.594 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.221 -9.362 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.197 -11.055 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.096 -11.875 -7.224 1.00 0.00 H new ATOM 782 N SER A 50 3.488 -13.453 -1.563 1.00 0.00 N ATOM 783 CA SER A 50 4.238 -13.893 -0.354 1.00 0.00 C ATOM 784 C SER A 50 5.144 -12.732 0.108 1.00 0.00 C ATOM 785 O SER A 50 4.645 -11.695 0.503 1.00 0.00 O ATOM 786 CB SER A 50 5.027 -15.127 -0.809 1.00 0.00 C ATOM 787 OG SER A 50 5.912 -14.758 -1.858 1.00 0.00 O ATOM 0 H SER A 50 3.958 -13.626 -2.451 1.00 0.00 H new ATOM 0 HA SER A 50 3.608 -14.149 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.589 -15.542 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.344 -15.904 -1.151 1.00 0.00 H new ATOM 0 HG SER A 50 6.419 -15.544 -2.150 1.00 0.00 H new ATOM 793 N ALA A 51 6.454 -12.868 0.052 1.00 0.00 N ATOM 794 CA ALA A 51 7.336 -11.740 0.476 1.00 0.00 C ATOM 795 C ALA A 51 7.962 -11.051 -0.750 1.00 0.00 C ATOM 796 O ALA A 51 8.626 -10.040 -0.622 1.00 0.00 O ATOM 797 CB ALA A 51 8.418 -12.384 1.343 1.00 0.00 C ATOM 0 H ALA A 51 6.941 -13.706 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 51 6.784 -10.972 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.108 -11.616 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.954 -12.874 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.965 -13.121 0.755 1.00 0.00 H new ATOM 803 N LYS A 52 7.758 -11.585 -1.933 1.00 0.00 N ATOM 804 CA LYS A 52 8.342 -10.951 -3.154 1.00 0.00 C ATOM 805 C LYS A 52 7.559 -9.685 -3.512 1.00 0.00 C ATOM 806 O LYS A 52 8.129 -8.662 -3.838 1.00 0.00 O ATOM 807 CB LYS A 52 8.198 -12.001 -4.258 1.00 0.00 C ATOM 808 CG LYS A 52 8.998 -11.567 -5.487 1.00 0.00 C ATOM 809 CD LYS A 52 8.761 -12.563 -6.624 1.00 0.00 C ATOM 810 CE LYS A 52 9.832 -13.656 -6.577 1.00 0.00 C ATOM 811 NZ LYS A 52 11.007 -13.072 -7.282 1.00 0.00 N ATOM 0 H LYS A 52 7.213 -12.431 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 52 9.381 -10.655 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.554 -12.968 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.147 -12.125 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.696 -10.566 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.060 -11.520 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.769 -13.006 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.793 -12.049 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.080 -13.922 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.489 -14.567 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.883 -13.459 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.959 -13.311 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.001 -12.038 -7.170 1.00 0.00 H new ATOM 825 N ASP A 53 6.254 -9.752 -3.446 1.00 0.00 N ATOM 826 CA ASP A 53 5.417 -8.560 -3.775 1.00 0.00 C ATOM 827 C ASP A 53 4.485 -8.235 -2.604 1.00 0.00 C ATOM 828 O ASP A 53 3.277 -8.192 -2.747 1.00 0.00 O ATOM 829 CB ASP A 53 4.609 -8.971 -5.004 1.00 0.00 C ATOM 830 CG ASP A 53 5.246 -8.380 -6.264 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.384 -8.718 -6.543 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.584 -7.598 -6.927 1.00 0.00 O ATOM 0 H ASP A 53 5.730 -10.585 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 53 6.018 -7.670 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.572 -10.058 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.581 -8.623 -4.908 1.00 0.00 H new ATOM 837 N LYS A 54 5.044 -8.009 -1.444 1.00 0.00 N ATOM 838 CA LYS A 54 4.208 -7.687 -0.254 1.00 0.00 C ATOM 839 C LYS A 54 5.074 -7.228 0.922 1.00 0.00 C ATOM 840 O LYS A 54 4.679 -6.372 1.694 1.00 0.00 O ATOM 841 CB LYS A 54 3.506 -9.001 0.081 1.00 0.00 C ATOM 842 CG LYS A 54 2.056 -8.713 0.483 1.00 0.00 C ATOM 843 CD LYS A 54 1.478 -9.890 1.264 1.00 0.00 C ATOM 844 CE LYS A 54 2.093 -9.931 2.665 1.00 0.00 C ATOM 845 NZ LYS A 54 1.223 -9.050 3.492 1.00 0.00 N ATOM 0 H LYS A 54 6.049 -8.034 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 54 3.510 -6.874 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.531 -9.669 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.027 -9.508 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.013 -7.809 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.455 -8.528 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.394 -9.795 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.683 -10.823 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.113 -10.948 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.122 -9.573 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.581 -9.027 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.229 -8.088 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.251 -9.420 3.488 1.00 0.00 H new ATOM 859 N GLN A 55 6.247 -7.787 1.066 1.00 0.00 N ATOM 860 CA GLN A 55 7.141 -7.382 2.198 1.00 0.00 C ATOM 861 C GLN A 55 7.685 -5.960 1.978 1.00 0.00 C ATOM 862 O GLN A 55 7.530 -5.113 2.835 1.00 0.00 O ATOM 863 CB GLN A 55 8.281 -8.402 2.201 1.00 0.00 C ATOM 864 CG GLN A 55 7.960 -9.529 3.185 1.00 0.00 C ATOM 865 CD GLN A 55 7.935 -8.974 4.611 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.968 -8.668 5.174 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.791 -8.830 5.221 1.00 0.00 N ATOM 0 H GLN A 55 6.627 -8.506 0.451 1.00 0.00 H new ATOM 0 HA GLN A 55 6.608 -7.369 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.421 -8.809 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.216 -7.917 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.996 -9.975 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.706 -10.319 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.925 -9.087 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.763 -8.460 6.171 1.00 0.00 H new ATOM 876 N PRO A 56 8.311 -5.730 0.840 1.00 0.00 N ATOM 877 CA PRO A 56 8.868 -4.382 0.556 1.00 0.00 C ATOM 878 C PRO A 56 7.753 -3.372 0.232 1.00 0.00 C ATOM 879 O PRO A 56 8.014 -2.195 0.064 1.00 0.00 O ATOM 880 CB PRO A 56 9.756 -4.608 -0.663 1.00 0.00 C ATOM 881 CG PRO A 56 9.194 -5.818 -1.337 1.00 0.00 C ATOM 882 CD PRO A 56 8.565 -6.671 -0.266 1.00 0.00 C ATOM 0 HA PRO A 56 9.406 -3.967 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.740 -3.744 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.794 -4.766 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.455 -5.533 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.978 -6.369 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.642 -7.134 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.229 -7.478 0.042 1.00 0.00 H new ATOM 890 N TYR A 57 6.520 -3.815 0.140 1.00 0.00 N ATOM 891 CA TYR A 57 5.404 -2.874 -0.177 1.00 0.00 C ATOM 892 C TYR A 57 4.834 -2.265 1.108 1.00 0.00 C ATOM 893 O TYR A 57 4.490 -1.098 1.149 1.00 0.00 O ATOM 894 CB TYR A 57 4.352 -3.732 -0.879 1.00 0.00 C ATOM 895 CG TYR A 57 4.824 -4.062 -2.275 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.894 -4.945 -2.465 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.192 -3.483 -3.382 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.331 -5.249 -3.760 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.629 -3.787 -4.677 1.00 0.00 C ATOM 900 CZ TYR A 57 5.698 -4.669 -4.866 1.00 0.00 C ATOM 901 OH TYR A 57 6.129 -4.968 -6.143 1.00 0.00 O ATOM 0 H TYR A 57 6.241 -4.787 0.271 1.00 0.00 H new ATOM 0 HA TYR A 57 5.733 -2.041 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.179 -4.649 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.402 -3.200 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.383 -5.392 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.367 -2.801 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.156 -5.931 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.140 -3.340 -5.530 1.00 0.00 H new ATOM 0 HH TYR A 57 5.639 -5.747 -6.479 1.00 0.00 H new ATOM 911 N GLU A 58 4.730 -3.045 2.155 1.00 0.00 N ATOM 912 CA GLU A 58 4.180 -2.512 3.438 1.00 0.00 C ATOM 913 C GLU A 58 5.273 -1.781 4.228 1.00 0.00 C ATOM 914 O GLU A 58 4.986 -0.919 5.038 1.00 0.00 O ATOM 915 CB GLU A 58 3.677 -3.741 4.207 1.00 0.00 C ATOM 916 CG GLU A 58 4.838 -4.711 4.476 1.00 0.00 C ATOM 917 CD GLU A 58 5.179 -4.712 5.969 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.269 -3.636 6.537 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.343 -5.789 6.519 1.00 0.00 O ATOM 0 H GLU A 58 5.002 -4.028 2.176 1.00 0.00 H new ATOM 0 HA GLU A 58 3.381 -1.789 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.228 -3.430 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.899 -4.244 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.565 -5.716 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.712 -4.417 3.894 1.00 0.00 H new ATOM 926 N GLN A 59 6.521 -2.101 3.985 1.00 0.00 N ATOM 927 CA GLN A 59 7.630 -1.403 4.707 1.00 0.00 C ATOM 928 C GLN A 59 7.974 -0.079 4.005 1.00 0.00 C ATOM 929 O GLN A 59 8.774 0.697 4.495 1.00 0.00 O ATOM 930 CB GLN A 59 8.816 -2.364 4.641 1.00 0.00 C ATOM 931 CG GLN A 59 8.458 -3.672 5.350 1.00 0.00 C ATOM 932 CD GLN A 59 8.605 -3.492 6.861 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.635 -3.805 7.425 1.00 0.00 O ATOM 934 NE2 GLN A 59 7.612 -2.996 7.547 1.00 0.00 N ATOM 0 H GLN A 59 6.819 -2.814 3.319 1.00 0.00 H new ATOM 0 HA GLN A 59 7.360 -1.158 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.079 -2.562 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.690 -1.912 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.436 -3.962 5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.109 -4.475 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.747 -2.733 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.701 -2.871 8.555 1.00 0.00 H new ATOM 943 N LYS A 60 7.362 0.193 2.876 1.00 0.00 N ATOM 944 CA LYS A 60 7.630 1.470 2.156 1.00 0.00 C ATOM 945 C LYS A 60 6.535 2.481 2.503 1.00 0.00 C ATOM 946 O LYS A 60 6.749 3.679 2.473 1.00 0.00 O ATOM 947 CB LYS A 60 7.581 1.109 0.671 1.00 0.00 C ATOM 948 CG LYS A 60 8.343 2.161 -0.137 1.00 0.00 C ATOM 949 CD LYS A 60 7.765 2.235 -1.551 1.00 0.00 C ATOM 950 CE LYS A 60 8.734 2.993 -2.460 1.00 0.00 C ATOM 951 NZ LYS A 60 8.243 2.739 -3.843 1.00 0.00 N ATOM 0 H LYS A 60 6.685 -0.421 2.423 1.00 0.00 H new ATOM 0 HA LYS A 60 8.587 1.916 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.020 0.124 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.546 1.055 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.268 3.133 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.402 1.906 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.596 1.231 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.798 2.737 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.737 4.059 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.756 2.636 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.858 3.227 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.257 1.717 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.270 3.095 -3.937 1.00 0.00 H new ATOM 965 N ALA A 61 5.365 2.000 2.848 1.00 0.00 N ATOM 966 CA ALA A 61 4.249 2.912 3.217 1.00 0.00 C ATOM 967 C ALA A 61 4.149 3.007 4.740 1.00 0.00 C ATOM 968 O ALA A 61 3.763 4.024 5.286 1.00 0.00 O ATOM 969 CB ALA A 61 2.997 2.253 2.636 1.00 0.00 C ATOM 0 H ALA A 61 5.139 1.006 2.889 1.00 0.00 H new ATOM 0 HA ALA A 61 4.387 3.924 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.124 2.865 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.103 2.161 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.871 1.263 3.074 1.00 0.00 H new ATOM 975 N ALA A 62 4.506 1.951 5.424 1.00 0.00 N ATOM 976 CA ALA A 62 4.448 1.965 6.918 1.00 0.00 C ATOM 977 C ALA A 62 5.457 2.974 7.466 1.00 0.00 C ATOM 978 O ALA A 62 5.172 3.696 8.404 1.00 0.00 O ATOM 979 CB ALA A 62 4.814 0.545 7.353 1.00 0.00 C ATOM 0 H ALA A 62 4.836 1.078 5.013 1.00 0.00 H new ATOM 0 HA ALA A 62 3.466 2.256 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.792 0.481 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.097 -0.160 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.814 0.301 6.995 1.00 0.00 H new ATOM 985 N LYS A 63 6.629 3.042 6.881 1.00 0.00 N ATOM 986 CA LYS A 63 7.651 4.021 7.360 1.00 0.00 C ATOM 987 C LYS A 63 7.384 5.416 6.768 1.00 0.00 C ATOM 988 O LYS A 63 8.036 6.379 7.125 1.00 0.00 O ATOM 989 CB LYS A 63 8.990 3.475 6.859 1.00 0.00 C ATOM 990 CG LYS A 63 10.136 4.219 7.546 1.00 0.00 C ATOM 991 CD LYS A 63 11.436 3.433 7.367 1.00 0.00 C ATOM 992 CE LYS A 63 12.002 3.693 5.969 1.00 0.00 C ATOM 993 NZ LYS A 63 12.773 4.961 6.096 1.00 0.00 N ATOM 0 H LYS A 63 6.920 2.462 6.094 1.00 0.00 H new ATOM 0 HA LYS A 63 7.633 4.132 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.060 2.407 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.062 3.595 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.241 5.218 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.918 4.345 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.160 3.730 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.251 2.368 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.642 2.873 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.205 3.788 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.744 5.477 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.353 5.549 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.761 4.744 6.339 1.00 0.00 H new ATOM 1007 N LEU A 64 6.422 5.535 5.880 1.00 0.00 N ATOM 1008 CA LEU A 64 6.103 6.864 5.280 1.00 0.00 C ATOM 1009 C LEU A 64 4.846 7.445 5.939 1.00 0.00 C ATOM 1010 O LEU A 64 4.626 8.641 5.925 1.00 0.00 O ATOM 1011 CB LEU A 64 5.854 6.583 3.798 1.00 0.00 C ATOM 1012 CG LEU A 64 7.149 6.789 3.012 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.939 6.363 1.558 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.541 8.268 3.056 1.00 0.00 C ATOM 0 H LEU A 64 5.844 4.763 5.547 1.00 0.00 H new ATOM 0 HA LEU A 64 6.904 7.589 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.495 5.562 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.077 7.246 3.418 1.00 0.00 H new ATOM 0 HG LEU A 64 7.942 6.187 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.863 6.510 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.658 5.310 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.146 6.964 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.464 8.417 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.747 8.868 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.691 8.574 4.091 1.00 0.00 H new ATOM 1026 N LYS A 65 4.028 6.603 6.526 1.00 0.00 N ATOM 1027 CA LYS A 65 2.789 7.095 7.200 1.00 0.00 C ATOM 1028 C LYS A 65 3.149 7.716 8.556 1.00 0.00 C ATOM 1029 O LYS A 65 2.702 8.797 8.891 1.00 0.00 O ATOM 1030 CB LYS A 65 1.918 5.845 7.382 1.00 0.00 C ATOM 1031 CG LYS A 65 0.630 6.208 8.130 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.413 5.110 7.915 1.00 0.00 C ATOM 1033 CE LYS A 65 -0.060 3.894 8.774 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.313 3.089 8.835 1.00 0.00 N ATOM 0 H LYS A 65 4.168 5.593 6.566 1.00 0.00 H new ATOM 0 HA LYS A 65 2.272 7.864 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.675 5.416 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.469 5.085 7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.836 6.325 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.246 7.164 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.404 5.479 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.447 4.827 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.756 3.322 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.265 4.195 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.150 2.237 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.070 3.657 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.594 2.811 7.873 1.00 0.00 H new ATOM 1048 N GLU A 66 3.953 7.036 9.336 1.00 0.00 N ATOM 1049 CA GLU A 66 4.349 7.578 10.677 1.00 0.00 C ATOM 1050 C GLU A 66 4.996 8.960 10.528 1.00 0.00 C ATOM 1051 O GLU A 66 4.913 9.791 11.413 1.00 0.00 O ATOM 1052 CB GLU A 66 5.361 6.573 11.234 1.00 0.00 C ATOM 1053 CG GLU A 66 4.627 5.320 11.714 1.00 0.00 C ATOM 1054 CD GLU A 66 5.539 4.521 12.647 1.00 0.00 C ATOM 1055 OE1 GLU A 66 5.687 4.925 13.788 1.00 0.00 O ATOM 1056 OE2 GLU A 66 6.073 3.518 12.204 1.00 0.00 O ATOM 0 H GLU A 66 4.354 6.127 9.103 1.00 0.00 H new ATOM 0 HA GLU A 66 3.489 7.700 11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.088 6.309 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.917 7.020 12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.711 5.599 12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.335 4.707 10.861 1.00 0.00 H new ATOM 1063 N LYS A 67 5.634 9.207 9.414 1.00 0.00 N ATOM 1064 CA LYS A 67 6.287 10.531 9.193 1.00 0.00 C ATOM 1065 C LYS A 67 5.345 11.475 8.434 1.00 0.00 C ATOM 1066 O LYS A 67 5.497 12.681 8.481 1.00 0.00 O ATOM 1067 CB LYS A 67 7.527 10.223 8.352 1.00 0.00 C ATOM 1068 CG LYS A 67 8.593 11.292 8.604 1.00 0.00 C ATOM 1069 CD LYS A 67 9.305 11.002 9.927 1.00 0.00 C ATOM 1070 CE LYS A 67 10.391 12.054 10.165 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.565 11.577 9.383 1.00 0.00 N ATOM 0 H LYS A 67 5.731 8.545 8.644 1.00 0.00 H new ATOM 0 HA LYS A 67 6.539 11.026 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.917 9.238 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.265 10.198 7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.313 11.302 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.132 12.279 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.588 11.012 10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.748 10.006 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.067 13.039 9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.631 12.141 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.262 11.152 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.255 10.866 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.999 12.380 8.884 1.00 0.00 H new ATOM 1085 N TYR A 68 4.374 10.935 7.737 1.00 0.00 N ATOM 1086 CA TYR A 68 3.419 11.793 6.973 1.00 0.00 C ATOM 1087 C TYR A 68 2.574 12.623 7.943 1.00 0.00 C ATOM 1088 O TYR A 68 2.490 13.830 7.836 1.00 0.00 O ATOM 1089 CB TYR A 68 2.535 10.802 6.199 1.00 0.00 C ATOM 1090 CG TYR A 68 2.823 10.893 4.719 1.00 0.00 C ATOM 1091 CD1 TYR A 68 4.141 10.788 4.257 1.00 0.00 C ATOM 1092 CD2 TYR A 68 1.775 11.076 3.810 1.00 0.00 C ATOM 1093 CE1 TYR A 68 4.411 10.867 2.886 1.00 0.00 C ATOM 1094 CE2 TYR A 68 2.046 11.155 2.437 1.00 0.00 C ATOM 1095 CZ TYR A 68 3.364 11.051 1.977 1.00 0.00 C ATOM 1096 OH TYR A 68 3.630 11.130 0.625 1.00 0.00 O ATOM 0 H TYR A 68 4.203 9.932 7.665 1.00 0.00 H new ATOM 0 HA TYR A 68 3.924 12.494 6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.719 9.787 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.483 11.018 6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.949 10.646 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.758 11.156 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.427 10.786 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.238 11.296 1.734 1.00 0.00 H new ATOM 0 HH TYR A 68 2.792 11.257 0.134 1.00 0.00 H new ATOM 1106 N GLU A 69 1.947 11.973 8.888 1.00 0.00 N ATOM 1107 CA GLU A 69 1.089 12.696 9.887 1.00 0.00 C ATOM 1108 C GLU A 69 1.868 13.854 10.523 1.00 0.00 C ATOM 1109 O GLU A 69 1.337 14.927 10.743 1.00 0.00 O ATOM 1110 CB GLU A 69 0.728 11.645 10.939 1.00 0.00 C ATOM 1111 CG GLU A 69 -0.014 10.485 10.269 1.00 0.00 C ATOM 1112 CD GLU A 69 -0.888 9.770 11.301 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -1.852 10.368 11.749 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -0.577 8.636 11.628 1.00 0.00 O ATOM 0 H GLU A 69 1.990 10.962 9.016 1.00 0.00 H new ATOM 0 HA GLU A 69 0.202 13.131 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.631 11.279 11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.104 12.090 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.631 10.858 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.700 9.785 9.835 1.00 0.00 H new ATOM 1121 N LYS A 70 3.131 13.646 10.789 1.00 0.00 N ATOM 1122 CA LYS A 70 3.967 14.732 11.378 1.00 0.00 C ATOM 1123 C LYS A 70 4.294 15.725 10.268 1.00 0.00 C ATOM 1124 O LYS A 70 4.253 16.927 10.449 1.00 0.00 O ATOM 1125 CB LYS A 70 5.234 14.042 11.884 1.00 0.00 C ATOM 1126 CG LYS A 70 4.907 13.225 13.136 1.00 0.00 C ATOM 1127 CD LYS A 70 5.991 12.168 13.354 1.00 0.00 C ATOM 1128 CE LYS A 70 5.420 11.015 14.183 1.00 0.00 C ATOM 1129 NZ LYS A 70 5.371 11.533 15.578 1.00 0.00 N ATOM 0 H LYS A 70 3.621 12.767 10.623 1.00 0.00 H new ATOM 0 HA LYS A 70 3.474 15.271 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.641 13.392 11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.999 14.785 12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.844 13.881 14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.934 12.746 13.027 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.350 11.797 12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.846 12.609 13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.428 10.730 13.832 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.050 10.128 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.070 10.772 16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.315 11.869 15.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.694 12.320 15.632 1.00 0.00 H new ATOM 1143 N ASP A 71 4.594 15.206 9.107 1.00 0.00 N ATOM 1144 CA ASP A 71 4.903 16.081 7.937 1.00 0.00 C ATOM 1145 C ASP A 71 3.700 16.982 7.645 1.00 0.00 C ATOM 1146 O ASP A 71 3.813 18.192 7.594 1.00 0.00 O ATOM 1147 CB ASP A 71 5.143 15.115 6.774 1.00 0.00 C ATOM 1148 CG ASP A 71 6.647 14.938 6.554 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.303 14.433 7.452 1.00 0.00 O ATOM 1150 OD2 ASP A 71 7.119 15.310 5.493 1.00 0.00 O ATOM 0 H ASP A 71 4.639 14.205 8.917 1.00 0.00 H new ATOM 0 HA ASP A 71 5.763 16.728 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.681 14.151 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.676 15.499 5.867 1.00 0.00 H new ATOM 1155 N ILE A 72 2.551 16.388 7.457 1.00 0.00 N ATOM 1156 CA ILE A 72 1.321 17.189 7.169 1.00 0.00 C ATOM 1157 C ILE A 72 0.992 18.084 8.377 1.00 0.00 C ATOM 1158 O ILE A 72 0.457 19.165 8.224 1.00 0.00 O ATOM 1159 CB ILE A 72 0.222 16.133 6.889 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.334 15.664 5.428 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -1.191 16.701 7.130 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.076 16.835 4.466 1.00 0.00 C ATOM 0 H ILE A 72 2.409 15.378 7.490 1.00 0.00 H new ATOM 0 HA ILE A 72 1.428 17.865 6.321 1.00 0.00 H new ATOM 0 HB ILE A 72 0.372 15.299 7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.326 15.249 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.384 14.866 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.933 15.930 6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.282 17.023 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.358 17.552 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.159 16.486 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.925 17.231 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.811 17.620 4.643 1.00 0.00 H new ATOM 1174 N ALA A 73 1.310 17.643 9.566 1.00 0.00 N ATOM 1175 CA ALA A 73 1.015 18.474 10.775 1.00 0.00 C ATOM 1176 C ALA A 73 1.820 19.775 10.731 1.00 0.00 C ATOM 1177 O ALA A 73 1.297 20.845 10.981 1.00 0.00 O ATOM 1178 CB ALA A 73 1.441 17.618 11.970 1.00 0.00 C ATOM 0 H ALA A 73 1.760 16.747 9.754 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.037 18.752 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.253 18.164 12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.869 16.690 11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.504 17.389 11.893 1.00 0.00 H new ATOM 1184 N ALA A 74 3.087 19.690 10.412 1.00 0.00 N ATOM 1185 CA ALA A 74 3.932 20.920 10.347 1.00 0.00 C ATOM 1186 C ALA A 74 3.748 21.617 8.995 1.00 0.00 C ATOM 1187 O ALA A 74 3.910 22.817 8.881 1.00 0.00 O ATOM 1188 CB ALA A 74 5.371 20.423 10.502 1.00 0.00 C ATOM 0 H ALA A 74 3.573 18.820 10.194 1.00 0.00 H new ATOM 0 HA ALA A 74 3.666 21.644 11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.055 21.271 10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.478 19.912 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.606 19.731 9.693 1.00 0.00 H new ATOM 1194 N TYR A 75 3.404 20.871 7.974 1.00 0.00 N ATOM 1195 CA TYR A 75 3.200 21.483 6.629 1.00 0.00 C ATOM 1196 C TYR A 75 1.813 22.129 6.550 1.00 0.00 C ATOM 1197 O TYR A 75 1.599 23.065 5.802 1.00 0.00 O ATOM 1198 CB TYR A 75 3.310 20.324 5.638 1.00 0.00 C ATOM 1199 CG TYR A 75 3.591 20.868 4.258 1.00 0.00 C ATOM 1200 CD1 TYR A 75 4.903 21.170 3.878 1.00 0.00 C ATOM 1201 CD2 TYR A 75 2.537 21.071 3.357 1.00 0.00 C ATOM 1202 CE1 TYR A 75 5.163 21.675 2.598 1.00 0.00 C ATOM 1203 CE2 TYR A 75 2.798 21.575 2.078 1.00 0.00 C ATOM 1204 CZ TYR A 75 4.110 21.878 1.698 1.00 0.00 C ATOM 1205 OH TYR A 75 4.367 22.374 0.437 1.00 0.00 O ATOM 0 H TYR A 75 3.256 19.863 8.017 1.00 0.00 H new ATOM 0 HA TYR A 75 3.929 22.265 6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.107 19.645 5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.385 19.747 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.716 21.014 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.524 20.839 3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.176 21.908 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.986 21.730 1.383 1.00 0.00 H new ATOM 0 HH TYR A 75 3.527 22.453 -0.061 1.00 0.00 H new ATOM 1215 N ARG A 76 0.873 21.636 7.319 1.00 0.00 N ATOM 1216 CA ARG A 76 -0.502 22.223 7.294 1.00 0.00 C ATOM 1217 C ARG A 76 -0.491 23.613 7.944 1.00 0.00 C ATOM 1218 O ARG A 76 -0.588 24.619 7.268 1.00 0.00 O ATOM 1219 CB ARG A 76 -1.372 21.241 8.090 1.00 0.00 C ATOM 1220 CG ARG A 76 -2.807 21.765 8.165 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.757 20.612 8.498 1.00 0.00 C ATOM 1222 NE ARG A 76 -5.081 21.257 8.716 1.00 0.00 N ATOM 1223 CZ ARG A 76 -5.885 20.799 9.636 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -5.560 20.899 10.895 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -7.016 20.243 9.296 1.00 0.00 N ATOM 0 H ARG A 76 0.999 20.854 7.962 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.882 22.357 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.357 20.260 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.968 21.115 9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.882 22.543 8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.089 22.220 7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.800 19.888 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.429 20.074 9.387 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.359 22.056 8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.677 21.335 11.161 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.189 20.541 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.271 20.167 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.645 19.885 10.015 1.00 0.00 H new ATOM 1239 N ALA A 77 -0.374 23.675 9.248 1.00 0.00 N ATOM 1240 CA ALA A 77 -0.356 24.999 9.940 1.00 0.00 C ATOM 1241 C ALA A 77 0.992 25.215 10.633 1.00 0.00 C ATOM 1242 O ALA A 77 1.313 24.556 11.604 1.00 0.00 O ATOM 1243 CB ALA A 77 -1.483 24.921 10.971 1.00 0.00 C ATOM 0 H ALA A 77 -0.290 22.865 9.862 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.493 25.830 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.536 25.859 11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.431 24.746 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.287 24.102 11.663 1.00 0.00 H new ATOM 1249 N LYS A 78 1.782 26.134 10.137 1.00 0.00 N ATOM 1250 CA LYS A 78 3.114 26.400 10.758 1.00 0.00 C ATOM 1251 C LYS A 78 3.296 27.901 10.997 1.00 0.00 C ATOM 1252 O LYS A 78 3.560 28.274 12.129 1.00 0.00 O ATOM 1253 CB LYS A 78 4.134 25.890 9.739 1.00 0.00 C ATOM 1254 CG LYS A 78 5.438 25.511 10.452 1.00 0.00 C ATOM 1255 CD LYS A 78 6.480 26.613 10.245 1.00 0.00 C ATOM 1256 CE LYS A 78 7.863 26.088 10.639 1.00 0.00 C ATOM 1257 NZ LYS A 78 8.029 26.478 12.066 1.00 0.00 N ATOM 1258 OXT LYS A 78 3.169 28.652 10.044 1.00 0.00 O ATOM 0 H LYS A 78 1.561 26.713 9.327 1.00 0.00 H new ATOM 0 HA LYS A 78 3.225 25.910 11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.733 25.025 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.328 26.658 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.253 25.368 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.814 24.564 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.484 26.933 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.226 27.486 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.925 25.007 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.644 26.525 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.955 26.153 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.972 27.513 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.276 26.041 12.635 1.00 0.00 H new TER 1272 LYS A 78