USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 500 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 NoAdj-H: A 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 109 TYR OH : rot 180:sc= -0.0506 USER MOD Set 1.2: A 113 THR OG1 : rot 84:sc= 0.998 USER MOD Set 1.3: A 128 GLN : amide:sc= -7.41! C(o=-6.5!,f=-16!) USER MOD Set 1.4: A 138 ASN :FLIP amide:sc= -0.0767 F(o=-7.5,f=-6.5) USER MOD Set 2.1: A 108 SER OG : rot -111:sc= 0.61 USER MOD Set 2.2: A 127 HIS : no HD1:sc= 0.379 K(o=0.99,f=-0.65) USER MOD Single : A 94 GLN : amide:sc= -0.0852 X(o=-0.085,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.3!) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -1.93 (180deg=-4.15!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -2.66! C(o=-3.9!,f=-2.7!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0.029) USER MOD Single : A 120 SER OG : rot 64:sc= 0.00268 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -149:sc= -0.547 (180deg=-1.23) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -48:sc= 0.311 USER MOD Single : A 134 CYS SG : rot -22:sc= 0.187 USER MOD Single : A 137 MET CE :methyl -179:sc= 0 (180deg=-0.000501) USER MOD Single : A 146 SER OG : rot -150:sc= -1.71! USER MOD Single : A 149 SER OG : rot -110:sc= -1.06 USER MOD Single : A 155 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.13) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -24.170 13.276 2.565 1.00 0.00 N ATOM 2 CA GLN A 94 -23.381 12.552 1.528 1.00 0.00 C ATOM 3 C GLN A 94 -23.644 13.178 0.157 1.00 0.00 C ATOM 4 O GLN A 94 -24.600 13.902 -0.031 1.00 0.00 O ATOM 5 CB GLN A 94 -23.799 11.080 1.508 1.00 0.00 C ATOM 6 CG GLN A 94 -23.052 10.320 2.605 1.00 0.00 C ATOM 7 CD GLN A 94 -24.038 9.898 3.696 1.00 0.00 C ATOM 8 OE1 GLN A 94 -23.898 10.284 4.839 1.00 0.00 O ATOM 9 NE2 GLN A 94 -25.036 9.116 3.388 1.00 0.00 N ATOM 0 HA GLN A 94 -22.319 12.625 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -24.875 10.995 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -23.580 10.642 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.561 9.442 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -22.270 10.949 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -25.153 8.792 2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -25.699 8.828 4.107 1.00 0.00 H new ATOM 20 N THR A 95 -22.803 12.904 -0.802 1.00 0.00 N ATOM 21 CA THR A 95 -23.005 13.485 -2.159 1.00 0.00 C ATOM 22 C THR A 95 -22.496 12.504 -3.218 1.00 0.00 C ATOM 23 O THR A 95 -22.130 12.891 -4.310 1.00 0.00 O ATOM 24 CB THR A 95 -22.232 14.802 -2.272 1.00 0.00 C ATOM 25 OG1 THR A 95 -20.853 14.524 -2.467 1.00 0.00 O ATOM 26 CG2 THR A 95 -22.414 15.614 -0.988 1.00 0.00 C ATOM 0 H THR A 95 -21.985 12.303 -0.704 1.00 0.00 H new ATOM 0 HA THR A 95 -24.067 13.671 -2.317 1.00 0.00 H new ATOM 0 HB THR A 95 -22.611 15.375 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 95 -20.357 15.366 -2.541 1.00 0.00 H new ATOM 0 HG21 THR A 95 -21.864 16.551 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.473 15.827 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.036 15.043 -0.140 1.00 0.00 H new ATOM 34 N ASP A 96 -22.468 11.238 -2.904 1.00 0.00 N ATOM 35 CA ASP A 96 -21.981 10.237 -3.894 1.00 0.00 C ATOM 36 C ASP A 96 -20.521 10.534 -4.243 1.00 0.00 C ATOM 37 O ASP A 96 -20.130 11.673 -4.400 1.00 0.00 O ATOM 38 CB ASP A 96 -22.835 10.315 -5.161 1.00 0.00 C ATOM 39 CG ASP A 96 -23.395 8.929 -5.487 1.00 0.00 C ATOM 40 OD1 ASP A 96 -24.389 8.556 -4.884 1.00 0.00 O ATOM 41 OD2 ASP A 96 -22.820 8.263 -6.331 1.00 0.00 O ATOM 0 H ASP A 96 -22.761 10.854 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 96 -22.056 9.237 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -23.651 11.024 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -22.235 10.682 -5.994 1.00 0.00 H new ATOM 46 N ASP A 97 -19.712 9.517 -4.363 1.00 0.00 N ATOM 47 CA ASP A 97 -18.278 9.742 -4.700 1.00 0.00 C ATOM 48 C ASP A 97 -17.592 8.392 -4.939 1.00 0.00 C ATOM 49 O ASP A 97 -17.186 7.733 -4.003 1.00 0.00 O ATOM 50 CB ASP A 97 -17.590 10.461 -3.537 1.00 0.00 C ATOM 51 CG ASP A 97 -17.654 11.973 -3.762 1.00 0.00 C ATOM 52 OD1 ASP A 97 -17.023 12.441 -4.694 1.00 0.00 O ATOM 53 OD2 ASP A 97 -18.334 12.637 -2.996 1.00 0.00 O ATOM 0 H ASP A 97 -19.982 8.541 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 97 -18.207 10.352 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.076 10.202 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.552 10.138 -3.459 1.00 0.00 H new ATOM 58 N PRO A 98 -17.482 8.022 -6.190 1.00 0.00 N ATOM 59 CA PRO A 98 -16.849 6.752 -6.588 1.00 0.00 C ATOM 60 C PRO A 98 -15.324 6.871 -6.515 1.00 0.00 C ATOM 61 O PRO A 98 -14.668 7.193 -7.487 1.00 0.00 O ATOM 62 CB PRO A 98 -17.316 6.554 -8.033 1.00 0.00 C ATOM 63 CG PRO A 98 -17.707 7.956 -8.561 1.00 0.00 C ATOM 64 CD PRO A 98 -17.978 8.831 -7.323 1.00 0.00 C ATOM 0 HA PRO A 98 -17.119 5.916 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -16.524 6.117 -8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -18.165 5.872 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.906 8.379 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -18.591 7.898 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -17.456 9.786 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -19.040 9.054 -7.218 1.00 0.00 H new ATOM 72 N ARG A 99 -14.755 6.613 -5.370 1.00 0.00 N ATOM 73 CA ARG A 99 -13.275 6.709 -5.231 1.00 0.00 C ATOM 74 C ARG A 99 -12.779 5.587 -4.317 1.00 0.00 C ATOM 75 O ARG A 99 -13.052 5.572 -3.133 1.00 0.00 O ATOM 76 CB ARG A 99 -12.906 8.064 -4.623 1.00 0.00 C ATOM 77 CG ARG A 99 -13.997 8.499 -3.641 1.00 0.00 C ATOM 78 CD ARG A 99 -13.479 9.650 -2.777 1.00 0.00 C ATOM 79 NE ARG A 99 -14.541 10.068 -1.820 1.00 0.00 N ATOM 80 CZ ARG A 99 -14.706 9.414 -0.703 1.00 0.00 C ATOM 81 NH1 ARG A 99 -14.137 8.251 -0.537 1.00 0.00 N ATOM 82 NH2 ARG A 99 -15.440 9.922 0.249 1.00 0.00 N ATOM 0 H ARG A 99 -15.253 6.339 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.809 6.614 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.947 7.995 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.793 8.809 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.887 8.812 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.288 7.659 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.587 9.338 -2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.191 10.491 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.139 10.865 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.563 7.853 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.266 7.740 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.885 10.831 0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.569 9.410 1.122 1.00 0.00 H new ATOM 96 N ASN A 100 -12.053 4.646 -4.856 1.00 0.00 N ATOM 97 CA ASN A 100 -11.543 3.526 -4.017 1.00 0.00 C ATOM 98 C ASN A 100 -10.077 3.257 -4.359 1.00 0.00 C ATOM 99 O ASN A 100 -9.750 2.291 -5.020 1.00 0.00 O ATOM 100 CB ASN A 100 -12.370 2.269 -4.289 1.00 0.00 C ATOM 101 CG ASN A 100 -13.831 2.527 -3.915 1.00 0.00 C ATOM 102 OD1 ASN A 100 -14.113 3.275 -3.001 1.00 0.00 O ATOM 103 ND2 ASN A 100 -14.778 1.934 -4.589 1.00 0.00 N ATOM 0 H ASN A 100 -11.791 4.605 -5.841 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.625 3.795 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -12.296 1.993 -5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.978 1.431 -3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -15.755 2.099 -4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -14.541 1.306 -5.357 1.00 0.00 H new ATOM 110 N LYS A 101 -9.188 4.102 -3.914 1.00 0.00 N ATOM 111 CA LYS A 101 -7.744 3.894 -4.213 1.00 0.00 C ATOM 112 C LYS A 101 -7.042 3.350 -2.967 1.00 0.00 C ATOM 113 O LYS A 101 -7.597 3.337 -1.887 1.00 0.00 O ATOM 114 CB LYS A 101 -7.109 5.226 -4.618 1.00 0.00 C ATOM 115 CG LYS A 101 -8.005 5.930 -5.638 1.00 0.00 C ATOM 116 CD LYS A 101 -8.160 7.402 -5.252 1.00 0.00 C ATOM 117 CE LYS A 101 -9.193 8.064 -6.164 1.00 0.00 C ATOM 118 NZ LYS A 101 -10.428 7.230 -6.204 1.00 0.00 N ATOM 0 H LYS A 101 -9.400 4.929 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.640 3.181 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.973 5.858 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.120 5.055 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.573 5.848 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.982 5.448 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.473 7.485 -4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.202 7.914 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.428 9.064 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.786 8.179 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.232 7.815 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.296 6.446 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.619 6.847 -5.256 1.00 0.00 H new ATOM 132 N HIS A 102 -5.824 2.900 -3.107 1.00 0.00 N ATOM 133 CA HIS A 102 -5.093 2.358 -1.927 1.00 0.00 C ATOM 134 C HIS A 102 -4.746 3.500 -0.971 1.00 0.00 C ATOM 135 O HIS A 102 -4.412 4.592 -1.388 1.00 0.00 O ATOM 136 CB HIS A 102 -3.795 1.688 -2.385 1.00 0.00 C ATOM 137 CG HIS A 102 -4.109 0.452 -3.180 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.617 -0.698 -2.595 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.982 0.169 -4.515 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.776 -1.612 -3.570 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.405 -1.134 -4.761 1.00 0.00 N ATOM 0 H HIS A 102 -5.305 2.884 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.726 1.629 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.212 2.382 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.185 1.429 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.610 0.854 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.157 -2.610 -3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.427 -1.619 -5.658 1.00 0.00 H new ATOM 148 N LYS A 103 -4.806 3.253 0.306 1.00 0.00 N ATOM 149 CA LYS A 103 -4.462 4.318 1.286 1.00 0.00 C ATOM 150 C LYS A 103 -2.964 4.245 1.579 1.00 0.00 C ATOM 151 O LYS A 103 -2.536 4.333 2.713 1.00 0.00 O ATOM 152 CB LYS A 103 -5.250 4.098 2.580 1.00 0.00 C ATOM 153 CG LYS A 103 -6.431 5.069 2.631 1.00 0.00 C ATOM 154 CD LYS A 103 -6.169 6.135 3.696 1.00 0.00 C ATOM 155 CE LYS A 103 -6.606 5.608 5.065 1.00 0.00 C ATOM 156 NZ LYS A 103 -6.936 6.756 5.957 1.00 0.00 N ATOM 0 H LYS A 103 -5.079 2.359 0.714 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.715 5.297 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.609 3.070 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.602 4.251 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.571 5.539 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.350 4.529 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.110 6.393 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.715 7.047 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.474 4.957 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.811 5.008 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.233 6.399 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.097 7.360 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.708 7.311 5.537 1.00 0.00 H new ATOM 170 N PHE A 104 -2.168 4.075 0.556 1.00 0.00 N ATOM 171 CA PHE A 104 -0.691 3.983 0.751 1.00 0.00 C ATOM 172 C PHE A 104 -0.241 4.995 1.805 1.00 0.00 C ATOM 173 O PHE A 104 -0.720 6.110 1.856 1.00 0.00 O ATOM 174 CB PHE A 104 0.014 4.289 -0.573 1.00 0.00 C ATOM 175 CG PHE A 104 -0.167 3.132 -1.526 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.061 1.821 -1.090 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.560 3.371 -2.850 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.104 0.748 -1.976 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.724 2.300 -3.737 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.496 0.987 -3.300 1.00 0.00 C ATOM 0 H PHE A 104 -2.480 3.995 -0.412 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.435 2.977 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.393 5.200 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.075 4.466 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.364 1.637 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.736 4.382 -3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.071 -0.263 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.026 2.485 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.622 0.160 -3.984 1.00 0.00 H new ATOM 190 N ARG A 105 0.679 4.612 2.647 1.00 0.00 N ATOM 191 CA ARG A 105 1.164 5.552 3.695 1.00 0.00 C ATOM 192 C ARG A 105 2.624 5.236 4.020 1.00 0.00 C ATOM 193 O ARG A 105 2.926 4.264 4.685 1.00 0.00 O ATOM 194 CB ARG A 105 0.313 5.391 4.957 1.00 0.00 C ATOM 195 CG ARG A 105 0.866 6.290 6.064 1.00 0.00 C ATOM 196 CD ARG A 105 -0.147 6.376 7.207 1.00 0.00 C ATOM 197 NE ARG A 105 0.476 7.066 8.372 1.00 0.00 N ATOM 198 CZ ARG A 105 1.241 8.106 8.182 1.00 0.00 C ATOM 199 NH1 ARG A 105 0.709 9.259 7.883 1.00 0.00 N ATOM 200 NH2 ARG A 105 2.536 7.993 8.294 1.00 0.00 N ATOM 0 H ARG A 105 1.115 3.690 2.654 1.00 0.00 H new ATOM 0 HA ARG A 105 1.084 6.577 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.724 5.653 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.319 4.351 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.812 5.892 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.071 7.285 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.034 6.919 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.473 5.376 7.494 1.00 0.00 H new ATOM 0 HE ARG A 105 0.304 6.725 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.304 9.347 7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 105 1.306 10.073 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.951 7.092 8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.134 8.806 8.145 1.00 0.00 H new ATOM 214 N LEU A 106 3.534 6.047 3.555 1.00 0.00 N ATOM 215 CA LEU A 106 4.971 5.790 3.841 1.00 0.00 C ATOM 216 C LEU A 106 5.161 5.664 5.354 1.00 0.00 C ATOM 217 O LEU A 106 4.748 6.517 6.114 1.00 0.00 O ATOM 218 CB LEU A 106 5.814 6.952 3.306 1.00 0.00 C ATOM 219 CG LEU A 106 5.647 8.172 4.211 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.463 9.340 3.654 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.170 8.567 4.270 1.00 0.00 C ATOM 0 H LEU A 106 3.344 6.875 2.990 1.00 0.00 H new ATOM 0 HA LEU A 106 5.288 4.867 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.864 6.662 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.508 7.197 2.289 1.00 0.00 H new ATOM 0 HG LEU A 106 5.999 7.928 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.343 10.209 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.516 9.061 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.113 9.583 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.052 9.437 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.818 8.809 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.587 7.737 4.669 1.00 0.00 H new ATOM 233 N HIS A 107 5.771 4.602 5.797 1.00 0.00 N ATOM 234 CA HIS A 107 5.973 4.422 7.262 1.00 0.00 C ATOM 235 C HIS A 107 7.469 4.361 7.578 1.00 0.00 C ATOM 236 O HIS A 107 8.306 4.446 6.701 1.00 0.00 O ATOM 237 CB HIS A 107 5.305 3.123 7.714 1.00 0.00 C ATOM 238 CG HIS A 107 4.487 3.382 8.949 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.821 3.408 10.281 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 3.131 3.662 8.893 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 3.692 3.699 11.041 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 2.701 3.843 10.155 1.00 0.00 N flip ATOM 0 H HIS A 107 6.138 3.852 5.211 1.00 0.00 H new ATOM 0 HA HIS A 107 5.528 5.265 7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.669 2.733 6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.061 2.365 7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.529 3.724 7.999 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.630 3.789 12.115 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.737 4.063 10.405 1.00 0.00 H new ATOM 250 N SER A 108 7.809 4.212 8.830 1.00 0.00 N ATOM 251 CA SER A 108 9.245 4.142 9.216 1.00 0.00 C ATOM 252 C SER A 108 9.388 3.267 10.463 1.00 0.00 C ATOM 253 O SER A 108 9.610 3.753 11.554 1.00 0.00 O ATOM 254 CB SER A 108 9.762 5.549 9.518 1.00 0.00 C ATOM 255 OG SER A 108 9.050 6.491 8.725 1.00 0.00 O ATOM 0 H SER A 108 7.150 4.136 9.604 1.00 0.00 H new ATOM 0 HA SER A 108 9.824 3.713 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.634 5.777 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.829 5.610 9.306 1.00 0.00 H new ATOM 0 HG SER A 108 9.652 6.875 8.054 1.00 0.00 H new ATOM 261 N TYR A 109 9.257 1.978 10.309 1.00 0.00 N ATOM 262 CA TYR A 109 9.379 1.068 11.486 1.00 0.00 C ATOM 263 C TYR A 109 10.855 0.933 11.864 1.00 0.00 C ATOM 264 O TYR A 109 11.235 1.096 13.006 1.00 0.00 O ATOM 265 CB TYR A 109 8.823 -0.316 11.130 1.00 0.00 C ATOM 266 CG TYR A 109 7.742 -0.182 10.083 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.535 0.457 10.395 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.950 -0.695 8.795 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.537 0.584 9.419 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.952 -0.568 7.820 1.00 0.00 C ATOM 271 CZ TYR A 109 5.745 0.071 8.132 1.00 0.00 C ATOM 272 OH TYR A 109 4.762 0.197 7.172 1.00 0.00 O ATOM 0 H TYR A 109 9.071 1.514 9.420 1.00 0.00 H new ATOM 0 HA TYR A 109 8.816 1.480 12.323 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.624 -0.955 10.758 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.420 -0.796 12.022 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.373 0.852 11.387 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.880 -1.188 8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.607 1.078 9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.113 -0.963 6.828 1.00 0.00 H new ATOM 0 HH TYR A 109 5.068 -0.211 6.335 1.00 0.00 H new ATOM 282 N SER A 110 11.684 0.632 10.906 1.00 0.00 N ATOM 283 CA SER A 110 13.139 0.477 11.183 1.00 0.00 C ATOM 284 C SER A 110 13.827 -0.016 9.911 1.00 0.00 C ATOM 285 O SER A 110 14.962 0.313 9.632 1.00 0.00 O ATOM 286 CB SER A 110 13.342 -0.543 12.305 1.00 0.00 C ATOM 287 OG SER A 110 14.388 -0.100 13.159 1.00 0.00 O ATOM 0 H SER A 110 11.414 0.485 9.933 1.00 0.00 H new ATOM 0 HA SER A 110 13.564 1.432 11.491 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.420 -0.664 12.873 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.588 -1.518 11.885 1.00 0.00 H new ATOM 0 HG SER A 110 14.519 -0.751 13.880 1.00 0.00 H new ATOM 293 N SER A 111 13.132 -0.799 9.132 1.00 0.00 N ATOM 294 CA SER A 111 13.716 -1.317 7.866 1.00 0.00 C ATOM 295 C SER A 111 12.640 -1.280 6.777 1.00 0.00 C ATOM 296 O SER A 111 11.465 -1.210 7.076 1.00 0.00 O ATOM 297 CB SER A 111 14.192 -2.755 8.073 1.00 0.00 C ATOM 298 OG SER A 111 15.346 -2.752 8.904 1.00 0.00 O ATOM 0 H SER A 111 12.177 -1.103 9.321 1.00 0.00 H new ATOM 0 HA SER A 111 14.565 -0.702 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.402 -3.350 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.422 -3.216 7.113 1.00 0.00 H new ATOM 0 HG SER A 111 15.653 -3.673 9.040 1.00 0.00 H new ATOM 304 N PRO A 112 13.073 -1.324 5.544 1.00 0.00 N ATOM 305 CA PRO A 112 12.162 -1.291 4.386 1.00 0.00 C ATOM 306 C PRO A 112 11.485 -2.650 4.187 1.00 0.00 C ATOM 307 O PRO A 112 12.093 -3.689 4.349 1.00 0.00 O ATOM 308 CB PRO A 112 13.087 -0.952 3.215 1.00 0.00 C ATOM 309 CG PRO A 112 14.515 -1.357 3.651 1.00 0.00 C ATOM 310 CD PRO A 112 14.504 -1.412 5.190 1.00 0.00 C ATOM 0 HA PRO A 112 11.349 -0.574 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.788 -1.491 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.040 0.111 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.789 -2.324 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.249 -0.635 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.950 -2.336 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.073 -0.589 5.622 1.00 0.00 H new ATOM 318 N THR A 113 10.228 -2.644 3.833 1.00 0.00 N ATOM 319 CA THR A 113 9.503 -3.930 3.619 1.00 0.00 C ATOM 320 C THR A 113 9.654 -4.357 2.160 1.00 0.00 C ATOM 321 O THR A 113 10.187 -3.633 1.346 1.00 0.00 O ATOM 322 CB THR A 113 8.019 -3.739 3.943 1.00 0.00 C ATOM 323 OG1 THR A 113 7.878 -2.740 4.943 1.00 0.00 O ATOM 324 CG2 THR A 113 7.431 -5.057 4.447 1.00 0.00 C ATOM 0 H THR A 113 9.671 -1.803 3.683 1.00 0.00 H new ATOM 0 HA THR A 113 9.920 -4.698 4.270 1.00 0.00 H new ATOM 0 HB THR A 113 7.488 -3.429 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.889 -1.854 4.524 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.375 -4.920 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.538 -5.821 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.960 -5.371 5.346 1.00 0.00 H new ATOM 332 N PHE A 114 9.194 -5.528 1.824 1.00 0.00 N ATOM 333 CA PHE A 114 9.319 -5.997 0.416 1.00 0.00 C ATOM 334 C PHE A 114 8.226 -5.355 -0.440 1.00 0.00 C ATOM 335 O PHE A 114 7.231 -4.873 0.063 1.00 0.00 O ATOM 336 CB PHE A 114 9.177 -7.520 0.372 1.00 0.00 C ATOM 337 CG PHE A 114 10.375 -8.156 1.036 1.00 0.00 C ATOM 338 CD1 PHE A 114 10.445 -8.222 2.435 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.415 -8.678 0.256 1.00 0.00 C ATOM 340 CE1 PHE A 114 11.556 -8.811 3.053 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.527 -9.266 0.876 1.00 0.00 C ATOM 342 CZ PHE A 114 12.597 -9.333 2.273 1.00 0.00 C ATOM 0 H PHE A 114 8.737 -6.180 2.461 1.00 0.00 H new ATOM 0 HA PHE A 114 10.296 -5.711 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.262 -7.826 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.098 -7.859 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 114 9.643 -7.819 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.360 -8.628 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 114 11.610 -8.863 4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.330 -9.667 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 114 13.453 -9.787 2.750 1.00 0.00 H new ATOM 352 N CYS A 115 8.408 -5.343 -1.732 1.00 0.00 N ATOM 353 CA CYS A 115 7.386 -4.729 -2.627 1.00 0.00 C ATOM 354 C CYS A 115 6.512 -5.831 -3.232 1.00 0.00 C ATOM 355 O CYS A 115 6.975 -6.914 -3.527 1.00 0.00 O ATOM 356 CB CYS A 115 8.098 -3.955 -3.735 1.00 0.00 C ATOM 357 SG CYS A 115 6.889 -3.202 -4.847 1.00 0.00 S ATOM 0 H CYS A 115 9.222 -5.733 -2.208 1.00 0.00 H new ATOM 0 HA CYS A 115 6.752 -4.047 -2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.732 -3.183 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.750 -4.625 -4.295 1.00 0.00 H new ATOM 362 N ASP A 116 5.248 -5.564 -3.403 1.00 0.00 N ATOM 363 CA ASP A 116 4.334 -6.601 -3.971 1.00 0.00 C ATOM 364 C ASP A 116 4.230 -6.445 -5.490 1.00 0.00 C ATOM 365 O ASP A 116 3.808 -7.347 -6.186 1.00 0.00 O ATOM 366 CB ASP A 116 2.946 -6.446 -3.348 1.00 0.00 C ATOM 367 CG ASP A 116 2.328 -5.120 -3.797 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.168 -4.939 -4.992 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.024 -4.310 -2.937 1.00 0.00 O ATOM 0 H ASP A 116 4.806 -4.674 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 116 4.735 -7.589 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.307 -7.277 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.019 -6.475 -2.261 1.00 0.00 H new ATOM 374 N HIS A 117 4.605 -5.312 -6.010 1.00 0.00 N ATOM 375 CA HIS A 117 4.519 -5.105 -7.483 1.00 0.00 C ATOM 376 C HIS A 117 5.821 -5.563 -8.148 1.00 0.00 C ATOM 377 O HIS A 117 5.820 -6.034 -9.268 1.00 0.00 O ATOM 378 CB HIS A 117 4.292 -3.621 -7.778 1.00 0.00 C ATOM 379 CG HIS A 117 4.464 -3.367 -9.251 1.00 0.00 C ATOM 380 ND1 HIS A 117 3.443 -3.586 -10.163 1.00 0.00 N ATOM 381 CD2 HIS A 117 5.531 -2.913 -9.984 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.914 -3.267 -11.382 1.00 0.00 C ATOM 383 NE2 HIS A 117 5.182 -2.850 -11.330 1.00 0.00 N ATOM 0 H HIS A 117 4.968 -4.519 -5.480 1.00 0.00 H new ATOM 0 HA HIS A 117 3.687 -5.688 -7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.291 -3.326 -7.462 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.997 -3.015 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.495 -2.645 -9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.337 -3.339 -12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.768 -2.550 -12.109 1.00 0.00 H new ATOM 391 N CYS A 118 6.933 -5.432 -7.474 1.00 0.00 N ATOM 392 CA CYS A 118 8.220 -5.865 -8.088 1.00 0.00 C ATOM 393 C CYS A 118 8.875 -6.940 -7.216 1.00 0.00 C ATOM 394 O CYS A 118 9.877 -7.523 -7.584 1.00 0.00 O ATOM 395 CB CYS A 118 9.158 -4.662 -8.219 1.00 0.00 C ATOM 396 SG CYS A 118 9.459 -3.950 -6.585 1.00 0.00 S ATOM 0 H CYS A 118 7.005 -5.047 -6.532 1.00 0.00 H new ATOM 0 HA CYS A 118 8.025 -6.278 -9.077 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.100 -4.970 -8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.717 -3.914 -8.878 1.00 0.00 H new ATOM 401 N GLY A 119 8.318 -7.215 -6.067 1.00 0.00 N ATOM 402 CA GLY A 119 8.911 -8.260 -5.183 1.00 0.00 C ATOM 403 C GLY A 119 10.366 -7.910 -4.869 1.00 0.00 C ATOM 404 O GLY A 119 11.251 -8.734 -4.987 1.00 0.00 O ATOM 0 H GLY A 119 7.480 -6.762 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.338 -8.335 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.859 -9.234 -5.670 1.00 0.00 H new ATOM 408 N SER A 120 10.623 -6.697 -4.467 1.00 0.00 N ATOM 409 CA SER A 120 12.022 -6.299 -4.143 1.00 0.00 C ATOM 410 C SER A 120 12.032 -5.452 -2.869 1.00 0.00 C ATOM 411 O SER A 120 11.134 -4.671 -2.624 1.00 0.00 O ATOM 412 CB SER A 120 12.605 -5.488 -5.300 1.00 0.00 C ATOM 413 OG SER A 120 12.787 -6.338 -6.425 1.00 0.00 O ATOM 0 H SER A 120 9.925 -5.963 -4.349 1.00 0.00 H new ATOM 0 HA SER A 120 12.625 -7.194 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.937 -4.665 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.557 -5.046 -5.006 1.00 0.00 H new ATOM 0 HG SER A 120 11.916 -6.664 -6.733 1.00 0.00 H new ATOM 419 N LEU A 121 13.041 -5.601 -2.053 1.00 0.00 N ATOM 420 CA LEU A 121 13.105 -4.803 -0.796 1.00 0.00 C ATOM 421 C LEU A 121 13.179 -3.313 -1.127 1.00 0.00 C ATOM 422 O LEU A 121 14.002 -2.876 -1.906 1.00 0.00 O ATOM 423 CB LEU A 121 14.341 -5.205 0.011 1.00 0.00 C ATOM 424 CG LEU A 121 13.974 -6.330 0.978 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.237 -7.094 1.381 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.322 -5.729 2.227 1.00 0.00 C ATOM 0 H LEU A 121 13.822 -6.240 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 121 12.208 -4.998 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.136 -5.532 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.723 -4.346 0.563 1.00 0.00 H new ATOM 0 HG LEU A 121 13.278 -7.014 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.973 -7.896 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.704 -7.519 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.935 -6.412 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.058 -6.528 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.021 -5.046 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.422 -5.185 1.941 1.00 0.00 H new ATOM 438 N LEU A 122 12.322 -2.532 -0.532 1.00 0.00 N ATOM 439 CA LEU A 122 12.333 -1.066 -0.794 1.00 0.00 C ATOM 440 C LEU A 122 13.620 -0.462 -0.230 1.00 0.00 C ATOM 441 O LEU A 122 13.666 -0.015 0.898 1.00 0.00 O ATOM 442 CB LEU A 122 11.124 -0.423 -0.113 1.00 0.00 C ATOM 443 CG LEU A 122 9.856 -1.186 -0.504 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.841 -1.107 0.637 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.254 -0.560 -1.762 1.00 0.00 C ATOM 0 H LEU A 122 11.611 -2.847 0.128 1.00 0.00 H new ATOM 0 HA LEU A 122 12.286 -0.883 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.252 -0.438 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.039 0.622 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 122 10.105 -2.229 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.938 -1.650 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.269 -1.551 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.592 -0.064 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.351 -1.102 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.005 0.483 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.976 -0.614 -2.576 1.00 0.00 H new ATOM 457 N TYR A 123 14.668 -0.449 -1.005 1.00 0.00 N ATOM 458 CA TYR A 123 15.954 0.120 -0.512 1.00 0.00 C ATOM 459 C TYR A 123 15.711 1.511 0.077 1.00 0.00 C ATOM 460 O TYR A 123 14.594 1.986 0.136 1.00 0.00 O ATOM 461 CB TYR A 123 16.943 0.221 -1.676 1.00 0.00 C ATOM 462 CG TYR A 123 17.479 -1.153 -1.999 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.574 -1.661 -1.287 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.884 -1.920 -3.009 1.00 0.00 C ATOM 465 CE1 TYR A 123 19.072 -2.936 -1.585 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.382 -3.195 -3.306 1.00 0.00 C ATOM 467 CZ TYR A 123 18.477 -3.703 -2.594 1.00 0.00 C ATOM 468 OH TYR A 123 18.967 -4.960 -2.887 1.00 0.00 O ATOM 0 H TYR A 123 14.690 -0.808 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 123 16.365 -0.529 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.450 0.646 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.762 0.891 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 123 19.034 -1.070 -0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.041 -1.528 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.916 -3.328 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.922 -3.787 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 123 18.439 -5.356 -3.611 1.00 0.00 H new ATOM 478 N GLY A 124 16.751 2.169 0.516 1.00 0.00 N ATOM 479 CA GLY A 124 16.585 3.529 1.103 1.00 0.00 C ATOM 480 C GLY A 124 15.860 4.436 0.108 1.00 0.00 C ATOM 481 O GLY A 124 15.337 5.473 0.468 1.00 0.00 O ATOM 0 H GLY A 124 17.710 1.822 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.019 3.468 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.559 3.950 1.350 1.00 0.00 H new ATOM 485 N LEU A 125 15.827 4.057 -1.141 1.00 0.00 N ATOM 486 CA LEU A 125 15.139 4.897 -2.162 1.00 0.00 C ATOM 487 C LEU A 125 13.821 5.430 -1.594 1.00 0.00 C ATOM 488 O LEU A 125 13.342 6.473 -1.990 1.00 0.00 O ATOM 489 CB LEU A 125 14.853 4.051 -3.405 1.00 0.00 C ATOM 490 CG LEU A 125 16.173 3.640 -4.060 1.00 0.00 C ATOM 491 CD1 LEU A 125 15.999 2.291 -4.758 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.581 4.697 -5.089 1.00 0.00 C ATOM 0 H LEU A 125 16.248 3.200 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 125 15.780 5.737 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.280 3.165 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.246 4.617 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 125 16.947 3.556 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.940 1.999 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.707 1.538 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 125 15.226 2.374 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.521 4.406 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.807 4.780 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.706 5.659 -4.592 1.00 0.00 H new ATOM 504 N VAL A 126 13.230 4.723 -0.667 1.00 0.00 N ATOM 505 CA VAL A 126 11.944 5.199 -0.080 1.00 0.00 C ATOM 506 C VAL A 126 11.948 4.952 1.431 1.00 0.00 C ATOM 507 O VAL A 126 12.271 3.876 1.893 1.00 0.00 O ATOM 508 CB VAL A 126 10.779 4.441 -0.720 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.806 4.652 -2.235 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.910 2.948 -0.412 1.00 0.00 C ATOM 0 H VAL A 126 13.580 3.841 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 126 11.831 6.266 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 126 9.838 4.814 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.977 4.113 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.713 5.715 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.748 4.279 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.080 2.408 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.851 2.574 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.892 2.796 0.667 1.00 0.00 H new ATOM 520 N HIS A 127 11.591 5.943 2.203 1.00 0.00 N ATOM 521 CA HIS A 127 11.575 5.766 3.683 1.00 0.00 C ATOM 522 C HIS A 127 10.851 4.465 4.031 1.00 0.00 C ATOM 523 O HIS A 127 9.641 4.420 4.116 1.00 0.00 O ATOM 524 CB HIS A 127 10.845 6.947 4.331 1.00 0.00 C ATOM 525 CG HIS A 127 11.606 7.401 5.546 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.975 7.711 6.740 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.947 7.603 5.767 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.926 8.081 7.618 1.00 0.00 C ATOM 529 NE2 HIS A 127 13.146 8.033 7.076 1.00 0.00 N ATOM 0 H HIS A 127 11.310 6.866 1.873 1.00 0.00 H new ATOM 0 HA HIS A 127 12.598 5.724 4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.754 7.767 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.833 6.654 4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.728 7.451 5.036 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.727 8.380 8.636 1.00 0.00 H new ATOM 0 HE2 HIS A 127 14.033 8.262 7.525 1.00 0.00 H new ATOM 537 N GLN A 128 11.586 3.404 4.228 1.00 0.00 N ATOM 538 CA GLN A 128 10.945 2.101 4.565 1.00 0.00 C ATOM 539 C GLN A 128 10.126 1.616 3.364 1.00 0.00 C ATOM 540 O GLN A 128 10.605 0.850 2.550 1.00 0.00 O ATOM 541 CB GLN A 128 10.040 2.274 5.789 1.00 0.00 C ATOM 542 CG GLN A 128 9.469 0.915 6.202 1.00 0.00 C ATOM 543 CD GLN A 128 8.226 0.606 5.367 1.00 0.00 C ATOM 544 OE1 GLN A 128 8.192 -0.371 4.645 1.00 0.00 O ATOM 545 NE2 GLN A 128 7.194 1.401 5.436 1.00 0.00 N ATOM 0 H GLN A 128 12.604 3.384 4.170 1.00 0.00 H new ATOM 0 HA GLN A 128 11.711 1.362 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.606 2.708 6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.229 2.966 5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.218 0.136 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.215 0.923 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 128 7.222 2.221 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.359 1.202 4.884 1.00 0.00 H new ATOM 554 N GLY A 129 8.901 2.052 3.237 1.00 0.00 N ATOM 555 CA GLY A 129 8.074 1.608 2.081 1.00 0.00 C ATOM 556 C GLY A 129 6.666 2.189 2.205 1.00 0.00 C ATOM 557 O GLY A 129 6.258 2.635 3.259 1.00 0.00 O ATOM 0 H GLY A 129 8.440 2.694 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.532 1.934 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.028 0.519 2.051 1.00 0.00 H new ATOM 561 N MET A 130 5.916 2.184 1.135 1.00 0.00 N ATOM 562 CA MET A 130 4.533 2.732 1.198 1.00 0.00 C ATOM 563 C MET A 130 3.573 1.608 1.587 1.00 0.00 C ATOM 564 O MET A 130 3.303 0.715 0.808 1.00 0.00 O ATOM 565 CB MET A 130 4.134 3.293 -0.170 1.00 0.00 C ATOM 566 CG MET A 130 5.378 3.805 -0.901 1.00 0.00 C ATOM 567 SD MET A 130 5.015 5.409 -1.656 1.00 0.00 S ATOM 568 CE MET A 130 5.787 6.436 -0.381 1.00 0.00 C ATOM 0 H MET A 130 6.201 1.825 0.224 1.00 0.00 H new ATOM 0 HA MET A 130 4.489 3.532 1.937 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.645 2.520 -0.762 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.414 4.102 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.210 3.899 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.683 3.091 -1.666 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.258 7.386 -0.310 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.739 5.922 0.579 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.829 6.619 -0.643 1.00 0.00 H new ATOM 578 N LYS A 131 3.067 1.634 2.788 1.00 0.00 N ATOM 579 CA LYS A 131 2.138 0.555 3.223 1.00 0.00 C ATOM 580 C LYS A 131 0.691 1.025 3.091 1.00 0.00 C ATOM 581 O LYS A 131 0.308 2.048 3.622 1.00 0.00 O ATOM 582 CB LYS A 131 2.422 0.199 4.679 1.00 0.00 C ATOM 583 CG LYS A 131 1.635 -1.055 5.064 1.00 0.00 C ATOM 584 CD LYS A 131 1.107 -0.906 6.492 1.00 0.00 C ATOM 585 CE LYS A 131 1.650 -2.044 7.358 1.00 0.00 C ATOM 586 NZ LYS A 131 0.547 -2.993 7.680 1.00 0.00 N ATOM 0 H LYS A 131 3.256 2.354 3.486 1.00 0.00 H new ATOM 0 HA LYS A 131 2.289 -0.321 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.489 0.028 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.143 1.029 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.806 -1.204 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.274 -1.935 4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.411 0.056 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.017 -0.923 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.451 -2.565 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.079 -1.643 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.916 -3.767 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.203 -2.491 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.157 -3.384 6.799 1.00 0.00 H new ATOM 600 N CYS A 132 -0.117 0.278 2.395 1.00 0.00 N ATOM 601 CA CYS A 132 -1.543 0.674 2.238 1.00 0.00 C ATOM 602 C CYS A 132 -2.248 0.538 3.588 1.00 0.00 C ATOM 603 O CYS A 132 -2.240 -0.511 4.200 1.00 0.00 O ATOM 604 CB CYS A 132 -2.218 -0.235 1.209 1.00 0.00 C ATOM 605 SG CYS A 132 -3.979 0.166 1.111 1.00 0.00 S ATOM 0 H CYS A 132 0.148 -0.589 1.928 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.604 1.707 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.750 -0.107 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.087 -1.280 1.490 1.00 0.00 H new ATOM 610 N SER A 133 -2.854 1.593 4.063 1.00 0.00 N ATOM 611 CA SER A 133 -3.553 1.524 5.378 1.00 0.00 C ATOM 612 C SER A 133 -4.981 1.004 5.186 1.00 0.00 C ATOM 613 O SER A 133 -5.870 1.315 5.953 1.00 0.00 O ATOM 614 CB SER A 133 -3.601 2.919 5.999 1.00 0.00 C ATOM 615 OG SER A 133 -3.972 2.812 7.367 1.00 0.00 O ATOM 0 H SER A 133 -2.895 2.499 3.597 1.00 0.00 H new ATOM 0 HA SER A 133 -3.011 0.845 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.628 3.402 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.317 3.543 5.464 1.00 0.00 H new ATOM 0 HG SER A 133 -4.757 2.231 7.449 1.00 0.00 H new ATOM 621 N CYS A 134 -5.212 0.217 4.170 1.00 0.00 N ATOM 622 CA CYS A 134 -6.584 -0.315 3.938 1.00 0.00 C ATOM 623 C CYS A 134 -6.513 -1.805 3.584 1.00 0.00 C ATOM 624 O CYS A 134 -7.416 -2.562 3.882 1.00 0.00 O ATOM 625 CB CYS A 134 -7.238 0.452 2.787 1.00 0.00 C ATOM 626 SG CYS A 134 -8.896 -0.211 2.486 1.00 0.00 S ATOM 0 H CYS A 134 -4.510 -0.080 3.492 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.176 -0.191 4.845 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.297 1.513 3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.631 0.365 1.886 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.969 -1.424 2.948 1.00 0.00 H new ATOM 632 N CYS A 135 -5.456 -2.233 2.948 1.00 0.00 N ATOM 633 CA CYS A 135 -5.346 -3.672 2.578 1.00 0.00 C ATOM 634 C CYS A 135 -3.944 -4.189 2.913 1.00 0.00 C ATOM 635 O CYS A 135 -3.615 -5.327 2.641 1.00 0.00 O ATOM 636 CB CYS A 135 -5.603 -3.828 1.077 1.00 0.00 C ATOM 637 SG CYS A 135 -4.219 -3.117 0.149 1.00 0.00 S ATOM 0 H CYS A 135 -4.667 -1.650 2.670 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.082 -4.247 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.720 -4.882 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.533 -3.329 0.803 1.00 0.00 H new ATOM 642 N GLU A 136 -3.112 -3.366 3.494 1.00 0.00 N ATOM 643 CA GLU A 136 -1.734 -3.821 3.835 1.00 0.00 C ATOM 644 C GLU A 136 -0.983 -4.151 2.545 1.00 0.00 C ATOM 645 O GLU A 136 -0.829 -5.298 2.179 1.00 0.00 O ATOM 646 CB GLU A 136 -1.806 -5.068 4.720 1.00 0.00 C ATOM 647 CG GLU A 136 -2.577 -4.742 6.001 1.00 0.00 C ATOM 648 CD GLU A 136 -2.192 -5.738 7.097 1.00 0.00 C ATOM 649 OE1 GLU A 136 -1.388 -6.612 6.818 1.00 0.00 O ATOM 650 OE2 GLU A 136 -2.708 -5.610 8.195 1.00 0.00 O ATOM 0 H GLU A 136 -3.327 -2.401 3.746 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.211 -3.031 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.298 -5.879 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.801 -5.411 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.353 -3.725 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.650 -4.788 5.814 1.00 0.00 H new ATOM 657 N MET A 137 -0.524 -3.149 1.849 1.00 0.00 N ATOM 658 CA MET A 137 0.208 -3.398 0.575 1.00 0.00 C ATOM 659 C MET A 137 1.465 -2.526 0.527 1.00 0.00 C ATOM 660 O MET A 137 1.392 -1.318 0.424 1.00 0.00 O ATOM 661 CB MET A 137 -0.700 -3.044 -0.604 1.00 0.00 C ATOM 662 CG MET A 137 -0.353 -3.926 -1.803 1.00 0.00 C ATOM 663 SD MET A 137 -1.840 -4.799 -2.356 1.00 0.00 S ATOM 664 CE MET A 137 -1.402 -4.915 -4.107 1.00 0.00 C ATOM 0 H MET A 137 -0.624 -2.167 2.107 1.00 0.00 H new ATOM 0 HA MET A 137 0.494 -4.448 0.518 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.745 -3.185 -0.326 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.579 -1.993 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.047 -3.317 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.422 -4.642 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.205 -5.413 -4.651 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.256 -3.914 -4.513 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.481 -5.488 -4.214 1.00 0.00 H new ATOM 674 N ASN A 138 2.621 -3.129 0.596 1.00 0.00 N ATOM 675 CA ASN A 138 3.879 -2.333 0.551 1.00 0.00 C ATOM 676 C ASN A 138 4.358 -2.228 -0.899 1.00 0.00 C ATOM 677 O ASN A 138 4.415 -3.208 -1.615 1.00 0.00 O ATOM 678 CB ASN A 138 4.952 -3.026 1.395 1.00 0.00 C ATOM 679 CG ASN A 138 4.790 -2.620 2.860 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.918 -3.243 3.604 1.00 0.00 O flip ATOM 681 ND2 ASN A 138 5.463 -1.727 3.333 1.00 0.00 N flip ATOM 0 H ASN A 138 2.748 -4.137 0.681 1.00 0.00 H new ATOM 0 HA ASN A 138 3.695 -1.335 0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.866 -4.108 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.944 -2.751 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 138 6.145 -1.240 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.347 -1.464 4.312 1.00 0.00 H new ATOM 688 N VAL A 139 4.701 -1.048 -1.342 1.00 0.00 N ATOM 689 CA VAL A 139 5.171 -0.893 -2.747 1.00 0.00 C ATOM 690 C VAL A 139 6.212 0.227 -2.828 1.00 0.00 C ATOM 691 O VAL A 139 6.435 0.954 -1.879 1.00 0.00 O ATOM 692 CB VAL A 139 3.983 -0.548 -3.646 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.898 -1.616 -3.496 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.414 0.814 -3.238 1.00 0.00 C ATOM 0 H VAL A 139 4.676 -0.188 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 139 5.623 -1.828 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 139 4.314 -0.511 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.052 -1.368 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.301 -2.587 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.567 -1.655 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.567 1.061 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 139 3.085 0.774 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 139 4.185 1.577 -3.345 1.00 0.00 H new ATOM 704 N HIS A 140 6.847 0.368 -3.961 1.00 0.00 N ATOM 705 CA HIS A 140 7.874 1.437 -4.121 1.00 0.00 C ATOM 706 C HIS A 140 7.189 2.748 -4.504 1.00 0.00 C ATOM 707 O HIS A 140 6.033 2.770 -4.879 1.00 0.00 O ATOM 708 CB HIS A 140 8.851 1.041 -5.232 1.00 0.00 C ATOM 709 CG HIS A 140 9.762 -0.051 -4.744 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.537 -1.386 -5.037 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.903 -0.018 -3.983 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.524 -2.098 -4.458 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.383 -1.312 -3.803 1.00 0.00 N ATOM 0 H HIS A 140 6.698 -0.214 -4.785 1.00 0.00 H new ATOM 0 HA HIS A 140 8.413 1.564 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.300 0.703 -6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.438 1.907 -5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.359 0.876 -3.584 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.610 -3.173 -4.516 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.212 -1.599 -3.283 1.00 0.00 H new ATOM 720 N ARG A 141 7.894 3.843 -4.425 1.00 0.00 N ATOM 721 CA ARG A 141 7.282 5.148 -4.796 1.00 0.00 C ATOM 722 C ARG A 141 7.028 5.166 -6.305 1.00 0.00 C ATOM 723 O ARG A 141 6.156 5.859 -6.790 1.00 0.00 O ATOM 724 CB ARG A 141 8.232 6.287 -4.422 1.00 0.00 C ATOM 725 CG ARG A 141 7.467 7.348 -3.627 1.00 0.00 C ATOM 726 CD ARG A 141 8.461 8.297 -2.956 1.00 0.00 C ATOM 727 NE ARG A 141 7.715 9.334 -2.187 1.00 0.00 N ATOM 728 CZ ARG A 141 8.338 10.067 -1.306 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.506 10.575 -1.590 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.793 10.292 -0.142 1.00 0.00 N ATOM 0 H ARG A 141 8.866 3.890 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 141 6.341 5.279 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.063 5.903 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.659 6.729 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.805 7.906 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.838 6.871 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.120 7.740 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.093 8.770 -3.708 1.00 0.00 H new ATOM 0 HE ARG A 141 6.717 9.470 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.931 10.399 -2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 141 9.994 11.148 -0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.880 9.895 0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 141 8.280 10.865 0.547 1.00 0.00 H new ATOM 744 N ARG A 142 7.782 4.402 -7.048 1.00 0.00 N ATOM 745 CA ARG A 142 7.584 4.365 -8.525 1.00 0.00 C ATOM 746 C ARG A 142 6.603 3.243 -8.872 1.00 0.00 C ATOM 747 O ARG A 142 6.086 3.174 -9.969 1.00 0.00 O ATOM 748 CB ARG A 142 8.922 4.101 -9.217 1.00 0.00 C ATOM 749 CG ARG A 142 9.973 5.083 -8.696 1.00 0.00 C ATOM 750 CD ARG A 142 11.245 4.963 -9.538 1.00 0.00 C ATOM 751 NE ARG A 142 12.265 5.928 -9.039 1.00 0.00 N ATOM 752 CZ ARG A 142 12.174 7.191 -9.349 1.00 0.00 C ATOM 753 NH1 ARG A 142 11.796 7.544 -10.547 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.459 8.103 -8.459 1.00 0.00 N ATOM 0 H ARG A 142 8.527 3.801 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 142 7.186 5.322 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.243 3.076 -9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.812 4.209 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.589 6.102 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.195 4.873 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.634 3.946 -9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.021 5.164 -10.586 1.00 0.00 H new ATOM 0 HE ARG A 142 13.034 5.600 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.571 6.832 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 142 11.725 8.532 -10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.753 7.827 -7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.388 9.091 -8.701 1.00 0.00 H new ATOM 768 N CYS A 143 6.346 2.362 -7.943 1.00 0.00 N ATOM 769 CA CYS A 143 5.401 1.243 -8.216 1.00 0.00 C ATOM 770 C CYS A 143 3.980 1.676 -7.849 1.00 0.00 C ATOM 771 O CYS A 143 3.011 1.057 -8.240 1.00 0.00 O ATOM 772 CB CYS A 143 5.795 0.026 -7.377 1.00 0.00 C ATOM 773 SG CYS A 143 7.345 -0.666 -8.004 1.00 0.00 S ATOM 0 H CYS A 143 6.750 2.370 -7.007 1.00 0.00 H new ATOM 0 HA CYS A 143 5.441 0.983 -9.274 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.910 0.314 -6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.007 -0.726 -7.416 1.00 0.00 H new ATOM 778 N VAL A 144 3.851 2.737 -7.099 1.00 0.00 N ATOM 779 CA VAL A 144 2.493 3.211 -6.708 1.00 0.00 C ATOM 780 C VAL A 144 1.711 3.600 -7.964 1.00 0.00 C ATOM 781 O VAL A 144 0.560 3.246 -8.127 1.00 0.00 O ATOM 782 CB VAL A 144 2.626 4.427 -5.790 1.00 0.00 C ATOM 783 CG1 VAL A 144 1.264 5.107 -5.638 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.123 3.974 -4.416 1.00 0.00 C ATOM 0 H VAL A 144 4.626 3.295 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 144 1.964 2.416 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 144 3.336 5.131 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 144 1.361 5.973 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.907 5.429 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.552 4.404 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 144 3.218 4.839 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.411 3.269 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.094 3.490 -4.522 1.00 0.00 H new ATOM 794 N ARG A 145 2.329 4.326 -8.856 1.00 0.00 N ATOM 795 CA ARG A 145 1.623 4.736 -10.102 1.00 0.00 C ATOM 796 C ARG A 145 1.483 3.527 -11.032 1.00 0.00 C ATOM 797 O ARG A 145 0.864 3.605 -12.075 1.00 0.00 O ATOM 798 CB ARG A 145 2.429 5.830 -10.807 1.00 0.00 C ATOM 799 CG ARG A 145 1.633 7.136 -10.799 1.00 0.00 C ATOM 800 CD ARG A 145 2.239 8.111 -11.809 1.00 0.00 C ATOM 801 NE ARG A 145 1.433 9.363 -11.835 1.00 0.00 N ATOM 802 CZ ARG A 145 1.573 10.211 -12.818 1.00 0.00 C ATOM 803 NH1 ARG A 145 2.711 10.295 -13.450 1.00 0.00 N ATOM 804 NH2 ARG A 145 0.574 10.974 -13.168 1.00 0.00 N ATOM 0 H ARG A 145 3.292 4.652 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 145 0.633 5.117 -9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.386 5.972 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.648 5.532 -11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 145 0.590 6.940 -11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.645 7.575 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.271 8.336 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 145 2.260 7.658 -12.800 1.00 0.00 H new ATOM 0 HE ARG A 145 0.771 9.558 -11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.492 9.698 -13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.820 10.957 -14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -0.316 10.908 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.683 11.637 -13.936 1.00 0.00 H new ATOM 818 N SER A 146 2.051 2.412 -10.664 1.00 0.00 N ATOM 819 CA SER A 146 1.948 1.203 -11.528 1.00 0.00 C ATOM 820 C SER A 146 0.706 0.400 -11.137 1.00 0.00 C ATOM 821 O SER A 146 0.234 -0.435 -11.882 1.00 0.00 O ATOM 822 CB SER A 146 3.194 0.335 -11.345 1.00 0.00 C ATOM 823 OG SER A 146 4.308 1.169 -11.053 1.00 0.00 O ATOM 0 H SER A 146 2.582 2.286 -9.802 1.00 0.00 H new ATOM 0 HA SER A 146 1.869 1.510 -12.571 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.038 -0.380 -10.537 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.385 -0.243 -12.249 1.00 0.00 H new ATOM 0 HG SER A 146 5.127 0.751 -11.392 1.00 0.00 H new ATOM 829 N VAL A 147 0.170 0.649 -9.973 1.00 0.00 N ATOM 830 CA VAL A 147 -1.042 -0.100 -9.537 1.00 0.00 C ATOM 831 C VAL A 147 -2.284 0.527 -10.181 1.00 0.00 C ATOM 832 O VAL A 147 -2.370 1.732 -10.306 1.00 0.00 O ATOM 833 CB VAL A 147 -1.163 -0.028 -8.012 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.938 -1.244 -7.503 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.236 -0.020 -7.391 1.00 0.00 C ATOM 0 H VAL A 147 0.519 1.338 -9.306 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.960 -1.142 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.692 0.883 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.024 -1.192 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.934 -1.252 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.409 -2.155 -7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.152 0.031 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.764 -0.932 -7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.790 0.846 -7.753 1.00 0.00 H new ATOM 845 N PRO A 148 -3.211 -0.312 -10.572 1.00 0.00 N ATOM 846 CA PRO A 148 -4.462 0.132 -11.210 1.00 0.00 C ATOM 847 C PRO A 148 -5.441 0.665 -10.160 1.00 0.00 C ATOM 848 O PRO A 148 -6.538 1.080 -10.474 1.00 0.00 O ATOM 849 CB PRO A 148 -5.003 -1.142 -11.864 1.00 0.00 C ATOM 850 CG PRO A 148 -4.361 -2.327 -11.105 1.00 0.00 C ATOM 851 CD PRO A 148 -3.098 -1.777 -10.416 1.00 0.00 C ATOM 0 HA PRO A 148 -4.314 0.943 -11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.090 -1.181 -11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.747 -1.174 -12.923 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.054 -2.738 -10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.107 -3.135 -11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.060 -2.064 -9.365 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.190 -2.159 -10.884 1.00 0.00 H new ATOM 859 N SER A 149 -5.050 0.657 -8.915 1.00 0.00 N ATOM 860 CA SER A 149 -5.958 1.163 -7.847 1.00 0.00 C ATOM 861 C SER A 149 -7.057 0.133 -7.579 1.00 0.00 C ATOM 862 O SER A 149 -8.202 0.324 -7.938 1.00 0.00 O ATOM 863 CB SER A 149 -6.594 2.479 -8.298 1.00 0.00 C ATOM 864 OG SER A 149 -6.998 3.220 -7.154 1.00 0.00 O ATOM 0 H SER A 149 -4.142 0.322 -8.591 1.00 0.00 H new ATOM 0 HA SER A 149 -5.385 1.329 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.883 3.057 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.453 2.281 -8.939 1.00 0.00 H new ATOM 0 HG SER A 149 -7.977 3.238 -7.104 1.00 0.00 H new ATOM 870 N LEU A 150 -6.718 -0.958 -6.948 1.00 0.00 N ATOM 871 CA LEU A 150 -7.742 -2.000 -6.655 1.00 0.00 C ATOM 872 C LEU A 150 -7.825 -2.219 -5.144 1.00 0.00 C ATOM 873 O LEU A 150 -7.818 -3.336 -4.667 1.00 0.00 O ATOM 874 CB LEU A 150 -7.349 -3.311 -7.340 1.00 0.00 C ATOM 875 CG LEU A 150 -8.599 -3.984 -7.911 1.00 0.00 C ATOM 876 CD1 LEU A 150 -8.736 -3.634 -9.394 1.00 0.00 C ATOM 877 CD2 LEU A 150 -8.475 -5.501 -7.755 1.00 0.00 C ATOM 0 H LEU A 150 -5.775 -1.173 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.712 -1.672 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.632 -3.116 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.860 -3.974 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 150 -9.479 -3.632 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -9.627 -4.114 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -8.823 -2.553 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.857 -3.985 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -9.365 -5.982 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.595 -5.851 -8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.377 -5.751 -6.699 1.00 0.00 H new ATOM 889 N CYS A 151 -7.902 -1.160 -4.385 1.00 0.00 N ATOM 890 CA CYS A 151 -7.983 -1.307 -2.905 1.00 0.00 C ATOM 891 C CYS A 151 -9.424 -1.634 -2.504 1.00 0.00 C ATOM 892 O CYS A 151 -10.326 -0.844 -2.696 1.00 0.00 O ATOM 893 CB CYS A 151 -7.550 0.000 -2.238 1.00 0.00 C ATOM 894 SG CYS A 151 -7.040 -0.332 -0.534 1.00 0.00 S ATOM 0 H CYS A 151 -7.912 -0.199 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.324 -2.113 -2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.727 0.449 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.371 0.716 -2.250 1.00 0.00 H new ATOM 899 N GLY A 152 -9.645 -2.794 -1.948 1.00 0.00 N ATOM 900 CA GLY A 152 -11.026 -3.172 -1.537 1.00 0.00 C ATOM 901 C GLY A 152 -11.890 -3.379 -2.782 1.00 0.00 C ATOM 902 O GLY A 152 -12.308 -2.436 -3.424 1.00 0.00 O ATOM 0 H GLY A 152 -8.929 -3.496 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -11.003 -4.085 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.456 -2.392 -0.908 1.00 0.00 H new ATOM 906 N VAL A 153 -12.159 -4.607 -3.129 1.00 0.00 N ATOM 907 CA VAL A 153 -12.994 -4.876 -4.333 1.00 0.00 C ATOM 908 C VAL A 153 -14.213 -5.709 -3.933 1.00 0.00 C ATOM 909 O VAL A 153 -14.129 -6.911 -3.769 1.00 0.00 O ATOM 910 CB VAL A 153 -12.168 -5.644 -5.367 1.00 0.00 C ATOM 911 CG1 VAL A 153 -11.587 -6.904 -4.723 1.00 0.00 C ATOM 912 CG2 VAL A 153 -13.064 -6.040 -6.543 1.00 0.00 C ATOM 0 H VAL A 153 -11.836 -5.436 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 153 -13.325 -3.931 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 153 -11.356 -5.011 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -10.999 -7.451 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -10.949 -6.623 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -12.399 -7.537 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -12.476 -6.587 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -13.876 -6.672 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -13.478 -5.143 -7.003 1.00 0.00 H new ATOM 922 N ASP A 154 -15.345 -5.082 -3.775 1.00 0.00 N ATOM 923 CA ASP A 154 -16.569 -5.838 -3.385 1.00 0.00 C ATOM 924 C ASP A 154 -16.918 -6.845 -4.483 1.00 0.00 C ATOM 925 O ASP A 154 -16.061 -7.315 -5.204 1.00 0.00 O ATOM 926 CB ASP A 154 -17.733 -4.863 -3.198 1.00 0.00 C ATOM 927 CG ASP A 154 -17.308 -3.735 -2.255 1.00 0.00 C ATOM 928 OD1 ASP A 154 -16.652 -4.030 -1.270 1.00 0.00 O ATOM 929 OD2 ASP A 154 -17.646 -2.597 -2.535 1.00 0.00 O ATOM 0 H ASP A 154 -15.476 -4.078 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 154 -16.386 -6.368 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -18.035 -4.452 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -18.598 -5.386 -2.790 1.00 0.00 H new ATOM 934 N HIS A 155 -18.174 -7.179 -4.615 1.00 0.00 N ATOM 935 CA HIS A 155 -18.576 -8.156 -5.667 1.00 0.00 C ATOM 936 C HIS A 155 -17.841 -9.478 -5.441 1.00 0.00 C ATOM 937 O HIS A 155 -17.635 -10.249 -6.357 1.00 0.00 O ATOM 938 CB HIS A 155 -18.213 -7.599 -7.045 1.00 0.00 C ATOM 939 CG HIS A 155 -19.442 -7.569 -7.912 1.00 0.00 C ATOM 940 ND1 HIS A 155 -19.405 -7.897 -9.258 1.00 0.00 N ATOM 941 CD2 HIS A 155 -20.749 -7.251 -7.639 1.00 0.00 C ATOM 942 CE1 HIS A 155 -20.654 -7.770 -9.740 1.00 0.00 C ATOM 943 NE2 HIS A 155 -21.514 -7.379 -8.795 1.00 0.00 N ATOM 0 H HIS A 155 -18.937 -6.819 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 155 -19.652 -8.325 -5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -17.800 -6.595 -6.946 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -17.443 -8.217 -7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -21.127 -6.948 -6.674 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -20.929 -7.961 -10.767 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -22.515 -7.211 -8.898 1.00 0.00 H new ATOM 951 N THR A 156 -17.445 -9.747 -4.227 1.00 0.00 N ATOM 952 CA THR A 156 -16.723 -11.019 -3.943 1.00 0.00 C ATOM 953 C THR A 156 -17.602 -11.921 -3.073 1.00 0.00 C ATOM 954 O THR A 156 -18.562 -11.477 -2.474 1.00 0.00 O ATOM 955 CB THR A 156 -15.420 -10.711 -3.202 1.00 0.00 C ATOM 956 OG1 THR A 156 -15.687 -9.819 -2.130 1.00 0.00 O ATOM 957 CG2 THR A 156 -14.421 -10.069 -4.167 1.00 0.00 C ATOM 0 H THR A 156 -17.590 -9.141 -3.420 1.00 0.00 H new ATOM 0 HA THR A 156 -16.497 -11.526 -4.881 1.00 0.00 H new ATOM 0 HB THR A 156 -14.998 -11.636 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 156 -14.854 -9.622 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 156 -13.493 -9.850 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 156 -14.217 -10.755 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 156 -14.840 -9.144 -4.562 1.00 0.00 H new ATOM 965 N GLU A 157 -17.281 -13.183 -2.997 1.00 0.00 N ATOM 966 CA GLU A 157 -18.098 -14.111 -2.166 1.00 0.00 C ATOM 967 C GLU A 157 -17.553 -14.128 -0.737 1.00 0.00 C ATOM 968 O GLU A 157 -17.900 -14.976 0.060 1.00 0.00 O ATOM 969 CB GLU A 157 -18.027 -15.521 -2.756 1.00 0.00 C ATOM 970 CG GLU A 157 -18.800 -15.562 -4.076 1.00 0.00 C ATOM 971 CD GLU A 157 -19.432 -16.944 -4.254 1.00 0.00 C ATOM 972 OE1 GLU A 157 -18.780 -17.919 -3.921 1.00 0.00 O ATOM 973 OE2 GLU A 157 -20.558 -17.002 -4.720 1.00 0.00 O ATOM 0 H GLU A 157 -16.488 -13.612 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 157 -19.134 -13.774 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -16.988 -15.805 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -18.446 -16.242 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -19.573 -14.793 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -18.131 -15.346 -4.909 1.00 0.00 H new ATOM 980 N ARG A 158 -16.701 -13.195 -0.406 1.00 0.00 N ATOM 981 CA ARG A 158 -16.136 -13.159 0.973 1.00 0.00 C ATOM 982 C ARG A 158 -16.573 -11.869 1.670 1.00 0.00 C ATOM 983 O ARG A 158 -15.777 -10.983 1.912 1.00 0.00 O ATOM 984 CB ARG A 158 -14.608 -13.205 0.898 1.00 0.00 C ATOM 985 CG ARG A 158 -14.179 -14.229 -0.154 1.00 0.00 C ATOM 986 CD ARG A 158 -12.869 -14.887 0.279 1.00 0.00 C ATOM 987 NE ARG A 158 -12.050 -15.205 -0.923 1.00 0.00 N ATOM 988 CZ ARG A 158 -11.049 -16.036 -0.831 1.00 0.00 C ATOM 989 NH1 ARG A 158 -9.895 -15.620 -0.388 1.00 0.00 N ATOM 990 NH2 ARG A 158 -11.202 -17.284 -1.181 1.00 0.00 N ATOM 0 H ARG A 158 -16.373 -12.458 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 158 -16.499 -14.018 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -14.216 -12.220 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -14.193 -13.471 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.954 -14.985 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -14.051 -13.742 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -12.317 -14.221 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.076 -15.797 0.842 1.00 0.00 H new ATOM 0 HE ARG A 158 -12.272 -14.772 -1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -9.775 -14.645 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -9.112 -16.270 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -12.105 -17.610 -1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -10.419 -17.934 -1.109 1.00 0.00 H new ATOM 1004 N ARG A 159 -17.832 -11.756 1.994 1.00 0.00 N ATOM 1005 CA ARG A 159 -18.317 -10.524 2.676 1.00 0.00 C ATOM 1006 C ARG A 159 -19.290 -10.909 3.792 1.00 0.00 C ATOM 1007 O ARG A 159 -19.728 -12.048 3.803 1.00 0.00 O ATOM 1008 CB ARG A 159 -19.032 -9.628 1.662 1.00 0.00 C ATOM 1009 CG ARG A 159 -20.234 -10.373 1.079 1.00 0.00 C ATOM 1010 CD ARG A 159 -21.170 -9.375 0.394 1.00 0.00 C ATOM 1011 NE ARG A 159 -21.642 -8.372 1.390 1.00 0.00 N ATOM 1012 CZ ARG A 159 -22.828 -8.488 1.920 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -23.005 -9.255 2.961 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -23.837 -7.836 1.410 1.00 0.00 N ATOM 1015 OXT ARG A 159 -19.582 -10.059 4.616 1.00 0.00 O ATOM 0 H ARG A 159 -18.545 -12.463 1.816 1.00 0.00 H new ATOM 0 HA ARG A 159 -17.470 -9.986 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -19.360 -8.707 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -18.345 -9.344 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -19.898 -11.123 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -20.766 -10.903 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -20.650 -8.875 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -22.021 -9.898 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 159 -21.038 -7.595 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -22.216 -9.764 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -23.932 -9.346 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -23.698 -7.236 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -24.765 -7.927 1.824 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.858 -1.047 -0.636 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 8.178 -2.049 -6.362 1.00 0.00 ZN