USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 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 107 HIS :FLIP no HD1:sc= -0.715 F(o=-11,f=-11) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= -0.88 USER MOD Set 1.3: A 113 THR OG1 : rot 180:sc= -0.124 USER MOD Set 1.4: A 128 GLN :FLIP amide:sc= -8.53! C(o=-12!,f=-11!) USER MOD Set 1.5: A 138 ASN : amide:sc= -0.541 K(o=-11,f=-16!) USER MOD Set 2.1: A 108 SER OG : rot -171:sc= -2.13! USER MOD Set 2.2: A 127 HIS :FLIP no HE2:sc= -1.66! C(o=-7.4!,f=-3.8!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.0086) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -1:sc= 0.994 USER MOD Single : A 117 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=-0.28) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -115:sc= -7.83! (180deg=-14.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot -15:sc= 0.0129 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 155 HIS : no HD1:sc= -0.999 K(o=-1,f=-2.4!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.00864 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -15.920 17.547 -5.183 1.00 0.00 N ATOM 2 CA GLN A 94 -16.346 16.251 -4.583 1.00 0.00 C ATOM 3 C GLN A 94 -17.872 16.146 -4.630 1.00 0.00 C ATOM 4 O GLN A 94 -18.535 16.141 -3.612 1.00 0.00 O ATOM 5 CB GLN A 94 -15.874 16.184 -3.130 1.00 0.00 C ATOM 6 CG GLN A 94 -14.477 16.796 -3.017 1.00 0.00 C ATOM 7 CD GLN A 94 -13.936 16.577 -1.604 1.00 0.00 C ATOM 8 OE1 GLN A 94 -13.747 15.455 -1.179 1.00 0.00 O ATOM 9 NE2 GLN A 94 -13.677 17.612 -0.850 1.00 0.00 N ATOM 0 HA GLN A 94 -15.908 15.427 -5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -16.570 16.720 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -15.857 15.149 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.809 16.341 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -14.516 17.862 -3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -13.835 18.555 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.316 17.477 0.095 1.00 0.00 H new ATOM 20 N THR A 95 -18.433 16.060 -5.805 1.00 0.00 N ATOM 21 CA THR A 95 -19.915 15.955 -5.917 1.00 0.00 C ATOM 22 C THR A 95 -20.283 14.687 -6.692 1.00 0.00 C ATOM 23 O THR A 95 -21.443 14.393 -6.901 1.00 0.00 O ATOM 24 CB THR A 95 -20.458 17.179 -6.655 1.00 0.00 C ATOM 25 OG1 THR A 95 -20.363 16.965 -8.056 1.00 0.00 O ATOM 26 CG2 THR A 95 -19.642 18.415 -6.270 1.00 0.00 C ATOM 0 H THR A 95 -17.929 16.058 -6.692 1.00 0.00 H new ATOM 0 HA THR A 95 -20.351 15.908 -4.919 1.00 0.00 H new ATOM 0 HB THR A 95 -21.501 17.336 -6.380 1.00 0.00 H new ATOM 0 HG1 THR A 95 -20.712 17.748 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 95 -20.031 19.286 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.715 18.579 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.598 18.261 -6.543 1.00 0.00 H new ATOM 34 N ASP A 96 -19.307 13.935 -7.123 1.00 0.00 N ATOM 35 CA ASP A 96 -19.607 12.690 -7.884 1.00 0.00 C ATOM 36 C ASP A 96 -18.576 11.615 -7.536 1.00 0.00 C ATOM 37 O ASP A 96 -17.755 11.789 -6.658 1.00 0.00 O ATOM 38 CB ASP A 96 -19.550 12.984 -9.385 1.00 0.00 C ATOM 39 CG ASP A 96 -18.379 13.923 -9.678 1.00 0.00 C ATOM 40 OD1 ASP A 96 -17.248 13.484 -9.556 1.00 0.00 O ATOM 41 OD2 ASP A 96 -18.634 15.068 -10.017 1.00 0.00 O ATOM 0 H ASP A 96 -18.316 14.129 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 96 -20.603 12.335 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -19.434 12.055 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -20.485 13.438 -9.713 1.00 0.00 H new ATOM 46 N ASP A 97 -18.612 10.504 -8.221 1.00 0.00 N ATOM 47 CA ASP A 97 -17.634 9.417 -7.932 1.00 0.00 C ATOM 48 C ASP A 97 -16.221 10.008 -7.843 1.00 0.00 C ATOM 49 O ASP A 97 -15.640 10.361 -8.850 1.00 0.00 O ATOM 50 CB ASP A 97 -17.678 8.383 -9.060 1.00 0.00 C ATOM 51 CG ASP A 97 -16.597 7.327 -8.827 1.00 0.00 C ATOM 52 OD1 ASP A 97 -16.726 6.575 -7.875 1.00 0.00 O ATOM 53 OD2 ASP A 97 -15.658 7.288 -9.605 1.00 0.00 O ATOM 0 H ASP A 97 -19.276 10.302 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 97 -17.890 8.941 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.660 7.911 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.523 8.872 -10.022 1.00 0.00 H new ATOM 58 N PRO A 98 -15.708 10.098 -6.641 1.00 0.00 N ATOM 59 CA PRO A 98 -14.360 10.642 -6.395 1.00 0.00 C ATOM 60 C PRO A 98 -13.293 9.602 -6.749 1.00 0.00 C ATOM 61 O PRO A 98 -13.537 8.680 -7.500 1.00 0.00 O ATOM 62 CB PRO A 98 -14.361 10.940 -4.894 1.00 0.00 C ATOM 63 CG PRO A 98 -15.461 10.048 -4.272 1.00 0.00 C ATOM 64 CD PRO A 98 -16.417 9.668 -5.417 1.00 0.00 C ATOM 0 HA PRO A 98 -14.135 11.523 -6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -13.388 10.721 -4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -14.565 11.994 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -15.027 9.157 -3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.993 10.581 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -16.618 8.597 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -17.379 10.171 -5.316 1.00 0.00 H new ATOM 72 N ARG A 99 -12.110 9.746 -6.216 1.00 0.00 N ATOM 73 CA ARG A 99 -11.031 8.767 -6.525 1.00 0.00 C ATOM 74 C ARG A 99 -10.586 8.072 -5.237 1.00 0.00 C ATOM 75 O ARG A 99 -9.884 8.640 -4.424 1.00 0.00 O ATOM 76 CB ARG A 99 -9.840 9.500 -7.145 1.00 0.00 C ATOM 77 CG ARG A 99 -9.625 10.830 -6.419 1.00 0.00 C ATOM 78 CD ARG A 99 -8.319 11.467 -6.895 1.00 0.00 C ATOM 79 NE ARG A 99 -8.498 11.991 -8.278 1.00 0.00 N ATOM 80 CZ ARG A 99 -7.646 11.669 -9.213 1.00 0.00 C ATOM 81 NH1 ARG A 99 -6.390 12.005 -9.095 1.00 0.00 N ATOM 82 NH2 ARG A 99 -8.050 11.010 -10.265 1.00 0.00 N ATOM 0 H ARG A 99 -11.845 10.499 -5.581 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.407 8.023 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.943 8.885 -7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.020 9.677 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.461 11.502 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.591 10.667 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.030 12.275 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.515 10.732 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.286 12.601 -8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.075 12.519 -8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.724 11.753 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.031 10.747 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.384 10.758 -10.996 1.00 0.00 H new ATOM 96 N ASN A 100 -10.987 6.845 -5.046 1.00 0.00 N ATOM 97 CA ASN A 100 -10.586 6.113 -3.812 1.00 0.00 C ATOM 98 C ASN A 100 -9.445 5.148 -4.143 1.00 0.00 C ATOM 99 O ASN A 100 -9.644 3.955 -4.261 1.00 0.00 O ATOM 100 CB ASN A 100 -11.782 5.325 -3.274 1.00 0.00 C ATOM 101 CG ASN A 100 -12.966 6.270 -3.066 1.00 0.00 C ATOM 102 OD1 ASN A 100 -13.210 6.724 -1.965 1.00 0.00 O ATOM 103 ND2 ASN A 100 -13.716 6.590 -4.085 1.00 0.00 N ATOM 0 H ASN A 100 -11.575 6.318 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.253 6.826 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -12.053 4.534 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.519 4.842 -2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.507 7.221 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -13.511 6.209 -5.009 1.00 0.00 H new ATOM 110 N LYS A 101 -8.253 5.656 -4.296 1.00 0.00 N ATOM 111 CA LYS A 101 -7.100 4.769 -4.622 1.00 0.00 C ATOM 112 C LYS A 101 -6.498 4.216 -3.328 1.00 0.00 C ATOM 113 O LYS A 101 -6.876 4.605 -2.241 1.00 0.00 O ATOM 114 CB LYS A 101 -6.038 5.570 -5.377 1.00 0.00 C ATOM 115 CG LYS A 101 -6.716 6.454 -6.426 1.00 0.00 C ATOM 116 CD LYS A 101 -5.758 7.569 -6.851 1.00 0.00 C ATOM 117 CE LYS A 101 -5.171 7.241 -8.226 1.00 0.00 C ATOM 118 NZ LYS A 101 -5.988 7.898 -9.284 1.00 0.00 N ATOM 0 H LYS A 101 -8.027 6.647 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.443 3.943 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.468 6.185 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.331 4.894 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.001 5.856 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.632 6.883 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.286 8.522 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.958 7.675 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.138 7.584 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.157 6.162 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.590 7.675 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.967 7.550 -9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.979 8.928 -9.140 1.00 0.00 H new ATOM 132 N HIS A 102 -5.563 3.313 -3.437 1.00 0.00 N ATOM 133 CA HIS A 102 -4.934 2.735 -2.215 1.00 0.00 C ATOM 134 C HIS A 102 -4.641 3.853 -1.212 1.00 0.00 C ATOM 135 O HIS A 102 -4.274 4.950 -1.581 1.00 0.00 O ATOM 136 CB HIS A 102 -3.609 2.063 -2.582 1.00 0.00 C ATOM 137 CG HIS A 102 -3.856 0.777 -3.322 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.282 -0.377 -2.684 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.704 0.443 -4.644 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.367 -1.347 -3.617 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.027 -0.899 -4.828 1.00 0.00 N ATOM 0 H HIS A 102 -5.206 2.950 -4.321 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.617 2.005 -1.781 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.012 2.735 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.033 1.864 -1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.383 1.118 -5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.673 -2.362 -3.410 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.008 -1.427 -5.701 1.00 0.00 H new ATOM 148 N LYS A 103 -4.770 3.575 0.056 1.00 0.00 N ATOM 149 CA LYS A 103 -4.464 4.613 1.079 1.00 0.00 C ATOM 150 C LYS A 103 -2.987 4.485 1.455 1.00 0.00 C ATOM 151 O LYS A 103 -2.615 4.547 2.609 1.00 0.00 O ATOM 152 CB LYS A 103 -5.334 4.391 2.318 1.00 0.00 C ATOM 153 CG LYS A 103 -5.610 5.736 2.993 1.00 0.00 C ATOM 154 CD LYS A 103 -6.510 5.522 4.211 1.00 0.00 C ATOM 155 CE LYS A 103 -7.854 6.216 3.981 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.167 7.090 5.146 1.00 0.00 N ATOM 0 H LYS A 103 -5.074 2.675 0.427 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.670 5.607 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.273 3.914 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.831 3.719 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.672 6.201 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.089 6.416 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.663 4.456 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.031 5.921 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.818 6.809 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.641 5.473 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.081 7.562 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.218 6.512 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.421 7.807 5.253 1.00 0.00 H new ATOM 170 N PHE A 104 -2.149 4.285 0.475 1.00 0.00 N ATOM 171 CA PHE A 104 -0.692 4.124 0.735 1.00 0.00 C ATOM 172 C PHE A 104 -0.229 5.095 1.821 1.00 0.00 C ATOM 173 O PHE A 104 -0.668 6.226 1.895 1.00 0.00 O ATOM 174 CB PHE A 104 0.081 4.399 -0.555 1.00 0.00 C ATOM 175 CG PHE A 104 -0.062 3.220 -1.488 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.360 1.948 -1.077 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.618 3.396 -2.762 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.228 0.853 -1.940 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.751 2.300 -3.625 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.329 1.029 -3.214 1.00 0.00 C ATOM 0 H PHE A 104 -2.417 4.226 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.504 3.105 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.297 5.303 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.133 4.574 -0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.787 1.812 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.944 4.376 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.555 -0.127 -1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.179 2.435 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.433 0.184 -3.879 1.00 0.00 H new ATOM 190 N ARG A 105 0.669 4.654 2.660 1.00 0.00 N ATOM 191 CA ARG A 105 1.188 5.533 3.743 1.00 0.00 C ATOM 192 C ARG A 105 2.628 5.125 4.058 1.00 0.00 C ATOM 193 O ARG A 105 2.872 4.140 4.727 1.00 0.00 O ATOM 194 CB ARG A 105 0.325 5.369 4.996 1.00 0.00 C ATOM 195 CG ARG A 105 0.529 6.573 5.917 1.00 0.00 C ATOM 196 CD ARG A 105 -0.629 7.557 5.735 1.00 0.00 C ATOM 197 NE ARG A 105 -0.355 8.433 4.561 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.975 9.575 4.441 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.017 9.833 5.184 1.00 0.00 N ATOM 200 NH2 ARG A 105 -0.553 10.459 3.580 1.00 0.00 N ATOM 0 H ARG A 105 1.067 3.715 2.640 1.00 0.00 H new ATOM 0 HA ARG A 105 1.157 6.574 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.726 5.284 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.592 4.450 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.582 6.245 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.476 7.063 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.562 7.014 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.751 8.162 6.633 1.00 0.00 H new ATOM 0 HE ARG A 105 0.317 8.140 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.346 9.142 5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.502 10.726 5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.262 10.258 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.038 11.352 3.486 1.00 0.00 H new ATOM 214 N LEU A 106 3.587 5.868 3.578 1.00 0.00 N ATOM 215 CA LEU A 106 5.004 5.514 3.848 1.00 0.00 C ATOM 216 C LEU A 106 5.174 5.199 5.334 1.00 0.00 C ATOM 217 O LEU A 106 4.774 5.959 6.193 1.00 0.00 O ATOM 218 CB LEU A 106 5.907 6.687 3.461 1.00 0.00 C ATOM 219 CG LEU A 106 5.744 7.814 4.477 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.633 8.994 4.082 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.284 8.264 4.510 1.00 0.00 C ATOM 0 H LEU A 106 3.448 6.704 3.011 1.00 0.00 H new ATOM 0 HA LEU A 106 5.281 4.639 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.947 6.363 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.650 7.043 2.463 1.00 0.00 H new ATOM 0 HG LEU A 106 6.036 7.456 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.515 9.798 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.675 8.674 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.344 9.353 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.168 9.069 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.991 8.620 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.651 7.424 4.795 1.00 0.00 H new ATOM 233 N HIS A 107 5.758 4.076 5.641 1.00 0.00 N ATOM 234 CA HIS A 107 5.953 3.703 7.071 1.00 0.00 C ATOM 235 C HIS A 107 7.448 3.600 7.373 1.00 0.00 C ATOM 236 O HIS A 107 8.280 3.772 6.504 1.00 0.00 O ATOM 237 CB HIS A 107 5.283 2.354 7.341 1.00 0.00 C ATOM 238 CG HIS A 107 3.978 2.576 8.057 1.00 0.00 C ATOM 239 ND1 HIS A 107 2.723 2.887 7.599 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 3.867 2.485 9.436 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 1.843 2.987 8.674 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 2.584 2.735 9.756 1.00 0.00 N flip ATOM 0 H HIS A 107 6.109 3.399 4.964 1.00 0.00 H new ATOM 0 HA HIS A 107 5.506 4.465 7.710 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.110 1.828 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.938 1.725 7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.665 2.255 10.127 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.789 3.218 8.640 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.221 2.732 10.709 1.00 0.00 H new ATOM 250 N SER A 108 7.798 3.322 8.599 1.00 0.00 N ATOM 251 CA SER A 108 9.241 3.210 8.955 1.00 0.00 C ATOM 252 C SER A 108 9.409 2.214 10.105 1.00 0.00 C ATOM 253 O SER A 108 9.080 2.502 11.239 1.00 0.00 O ATOM 254 CB SER A 108 9.766 4.578 9.387 1.00 0.00 C ATOM 255 OG SER A 108 9.039 5.593 8.708 1.00 0.00 O ATOM 0 H SER A 108 7.147 3.168 9.369 1.00 0.00 H new ATOM 0 HA SER A 108 9.802 2.861 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.660 4.698 10.465 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.829 4.661 9.160 1.00 0.00 H new ATOM 0 HG SER A 108 9.460 6.463 8.872 1.00 0.00 H new ATOM 261 N TYR A 109 9.917 1.046 9.825 1.00 0.00 N ATOM 262 CA TYR A 109 10.105 0.038 10.906 1.00 0.00 C ATOM 263 C TYR A 109 11.600 -0.138 11.182 1.00 0.00 C ATOM 264 O TYR A 109 12.050 -1.204 11.554 1.00 0.00 O ATOM 265 CB TYR A 109 9.509 -1.302 10.469 1.00 0.00 C ATOM 266 CG TYR A 109 8.260 -1.061 9.657 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.219 -0.285 10.184 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.138 -1.618 8.377 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.059 -0.064 9.432 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.978 -1.397 7.624 1.00 0.00 C ATOM 271 CZ TYR A 109 5.937 -0.620 8.152 1.00 0.00 C ATOM 272 OH TYR A 109 4.793 -0.404 7.411 1.00 0.00 O ATOM 0 H TYR A 109 10.210 0.746 8.895 1.00 0.00 H new ATOM 0 HA TYR A 109 9.603 0.380 11.811 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.236 -1.860 9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.275 -1.909 11.343 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.312 0.143 11.171 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.939 -2.218 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.258 0.535 9.839 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.885 -1.825 6.637 1.00 0.00 H new ATOM 0 HH TYR A 109 4.872 -0.859 6.547 1.00 0.00 H new ATOM 282 N SER A 110 12.373 0.898 11.000 1.00 0.00 N ATOM 283 CA SER A 110 13.839 0.788 11.248 1.00 0.00 C ATOM 284 C SER A 110 14.501 0.045 10.085 1.00 0.00 C ATOM 285 O SER A 110 15.701 -0.142 10.059 1.00 0.00 O ATOM 286 CB SER A 110 14.081 0.020 12.548 1.00 0.00 C ATOM 287 OG SER A 110 15.130 0.644 13.274 1.00 0.00 O ATOM 0 H SER A 110 12.053 1.816 10.690 1.00 0.00 H new ATOM 0 HA SER A 110 14.268 1.787 11.331 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.171 0.000 13.147 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.341 -1.016 12.329 1.00 0.00 H new ATOM 0 HG SER A 110 15.286 0.155 14.109 1.00 0.00 H new ATOM 293 N SER A 111 13.729 -0.381 9.121 1.00 0.00 N ATOM 294 CA SER A 111 14.313 -1.110 7.962 1.00 0.00 C ATOM 295 C SER A 111 13.273 -1.191 6.840 1.00 0.00 C ATOM 296 O SER A 111 12.091 -1.296 7.103 1.00 0.00 O ATOM 297 CB SER A 111 14.709 -2.522 8.392 1.00 0.00 C ATOM 298 OG SER A 111 15.838 -2.451 9.254 1.00 0.00 O ATOM 0 H SER A 111 12.717 -0.254 9.088 1.00 0.00 H new ATOM 0 HA SER A 111 15.196 -0.580 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.877 -3.006 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.942 -3.129 7.517 1.00 0.00 H new ATOM 0 HG SER A 111 16.115 -1.516 9.353 1.00 0.00 H new ATOM 304 N PRO A 112 13.745 -1.135 5.622 1.00 0.00 N ATOM 305 CA PRO A 112 12.877 -1.197 4.434 1.00 0.00 C ATOM 306 C PRO A 112 12.435 -2.636 4.156 1.00 0.00 C ATOM 307 O PRO A 112 13.234 -3.550 4.125 1.00 0.00 O ATOM 308 CB PRO A 112 13.770 -0.667 3.310 1.00 0.00 C ATOM 309 CG PRO A 112 15.231 -0.859 3.780 1.00 0.00 C ATOM 310 CD PRO A 112 15.184 -1.006 5.314 1.00 0.00 C ATOM 0 HA PRO A 112 11.957 -0.623 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.587 -1.208 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.561 0.384 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.673 -1.742 3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.846 -0.007 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.743 -1.881 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.621 -0.140 5.811 1.00 0.00 H new ATOM 318 N THR A 113 11.163 -2.837 3.949 1.00 0.00 N ATOM 319 CA THR A 113 10.654 -4.208 3.668 1.00 0.00 C ATOM 320 C THR A 113 10.687 -4.456 2.163 1.00 0.00 C ATOM 321 O THR A 113 11.074 -3.604 1.391 1.00 0.00 O ATOM 322 CB THR A 113 9.216 -4.331 4.173 1.00 0.00 C ATOM 323 OG1 THR A 113 9.034 -3.475 5.292 1.00 0.00 O ATOM 324 CG2 THR A 113 8.941 -5.778 4.584 1.00 0.00 C ATOM 0 H THR A 113 10.451 -2.107 3.963 1.00 0.00 H new ATOM 0 HA THR A 113 11.280 -4.943 4.175 1.00 0.00 H new ATOM 0 HB THR A 113 8.525 -4.044 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.112 -3.552 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.916 -5.865 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 113 9.081 -6.433 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.630 -6.068 5.377 1.00 0.00 H new ATOM 332 N PHE A 114 10.284 -5.618 1.741 1.00 0.00 N ATOM 333 CA PHE A 114 10.295 -5.923 0.283 1.00 0.00 C ATOM 334 C PHE A 114 9.077 -5.281 -0.384 1.00 0.00 C ATOM 335 O PHE A 114 8.399 -4.459 0.201 1.00 0.00 O ATOM 336 CB PHE A 114 10.250 -7.438 0.077 1.00 0.00 C ATOM 337 CG PHE A 114 11.551 -8.047 0.541 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.804 -8.203 1.910 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.508 -8.455 -0.398 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.012 -8.767 2.340 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.716 -9.019 0.032 1.00 0.00 C ATOM 342 CZ PHE A 114 13.969 -9.175 1.401 1.00 0.00 C ATOM 0 H PHE A 114 9.947 -6.371 2.341 1.00 0.00 H new ATOM 0 HA PHE A 114 11.205 -5.523 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.416 -7.867 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 114 10.083 -7.668 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.067 -7.888 2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 114 12.314 -8.335 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.206 -8.887 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.453 -9.334 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.901 -9.609 1.732 1.00 0.00 H new ATOM 352 N CYS A 115 8.800 -5.641 -1.606 1.00 0.00 N ATOM 353 CA CYS A 115 7.634 -5.042 -2.314 1.00 0.00 C ATOM 354 C CYS A 115 6.713 -6.155 -2.818 1.00 0.00 C ATOM 355 O CYS A 115 7.157 -7.223 -3.191 1.00 0.00 O ATOM 356 CB CYS A 115 8.142 -4.213 -3.492 1.00 0.00 C ATOM 357 SG CYS A 115 6.754 -3.440 -4.356 1.00 0.00 S ATOM 0 H CYS A 115 9.331 -6.325 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 115 7.074 -4.402 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.831 -3.447 -3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.700 -4.849 -4.180 1.00 0.00 H new ATOM 362 N ASP A 116 5.432 -5.914 -2.823 1.00 0.00 N ATOM 363 CA ASP A 116 4.474 -6.960 -3.289 1.00 0.00 C ATOM 364 C ASP A 116 4.154 -6.756 -4.772 1.00 0.00 C ATOM 365 O ASP A 116 3.679 -7.651 -5.443 1.00 0.00 O ATOM 366 CB ASP A 116 3.183 -6.862 -2.476 1.00 0.00 C ATOM 367 CG ASP A 116 2.775 -5.394 -2.338 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.881 -4.677 -3.320 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.366 -5.014 -1.254 1.00 0.00 O ATOM 0 H ASP A 116 5.005 -5.037 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 116 4.925 -7.943 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.389 -7.426 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.327 -7.304 -1.490 1.00 0.00 H new ATOM 374 N HIS A 117 4.401 -5.585 -5.286 1.00 0.00 N ATOM 375 CA HIS A 117 4.102 -5.325 -6.721 1.00 0.00 C ATOM 376 C HIS A 117 5.316 -5.691 -7.579 1.00 0.00 C ATOM 377 O HIS A 117 5.179 -6.097 -8.717 1.00 0.00 O ATOM 378 CB HIS A 117 3.775 -3.842 -6.909 1.00 0.00 C ATOM 379 CG HIS A 117 3.449 -3.578 -8.354 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.159 -3.680 -8.851 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.235 -3.215 -9.419 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.207 -3.382 -10.163 1.00 0.00 C ATOM 383 NE2 HIS A 117 3.448 -3.091 -10.561 1.00 0.00 N ATOM 0 H HIS A 117 4.797 -4.796 -4.775 1.00 0.00 H new ATOM 0 HA HIS A 117 3.250 -5.932 -7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.931 -3.562 -6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.622 -3.230 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.302 -3.051 -9.378 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.346 -3.379 -10.815 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.754 -2.833 -11.499 1.00 0.00 H new ATOM 391 N CYS A 118 6.504 -5.555 -7.052 1.00 0.00 N ATOM 392 CA CYS A 118 7.711 -5.902 -7.858 1.00 0.00 C ATOM 393 C CYS A 118 8.536 -6.970 -7.132 1.00 0.00 C ATOM 394 O CYS A 118 9.378 -7.619 -7.721 1.00 0.00 O ATOM 395 CB CYS A 118 8.561 -4.649 -8.077 1.00 0.00 C ATOM 396 SG CYS A 118 9.041 -3.951 -6.479 1.00 0.00 S ATOM 0 H CYS A 118 6.690 -5.221 -6.106 1.00 0.00 H new ATOM 0 HA CYS A 118 7.395 -6.295 -8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.449 -4.897 -8.658 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.000 -3.913 -8.652 1.00 0.00 H new ATOM 401 N GLY A 119 8.302 -7.168 -5.862 1.00 0.00 N ATOM 402 CA GLY A 119 9.074 -8.204 -5.115 1.00 0.00 C ATOM 403 C GLY A 119 10.501 -7.712 -4.863 1.00 0.00 C ATOM 404 O GLY A 119 11.404 -8.492 -4.631 1.00 0.00 O ATOM 0 H GLY A 119 7.611 -6.659 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.583 -8.422 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.096 -9.134 -5.684 1.00 0.00 H new ATOM 408 N SER A 120 10.714 -6.426 -4.904 1.00 0.00 N ATOM 409 CA SER A 120 12.084 -5.888 -4.664 1.00 0.00 C ATOM 410 C SER A 120 12.123 -5.183 -3.306 1.00 0.00 C ATOM 411 O SER A 120 11.104 -4.953 -2.686 1.00 0.00 O ATOM 412 CB SER A 120 12.440 -4.891 -5.767 1.00 0.00 C ATOM 413 OG SER A 120 12.374 -5.544 -7.028 1.00 0.00 O ATOM 0 H SER A 120 9.999 -5.724 -5.093 1.00 0.00 H new ATOM 0 HA SER A 120 12.803 -6.707 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.752 -4.046 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.441 -4.491 -5.603 1.00 0.00 H new ATOM 0 HG SER A 120 12.600 -4.908 -7.738 1.00 0.00 H new ATOM 419 N LEU A 121 13.293 -4.840 -2.838 1.00 0.00 N ATOM 420 CA LEU A 121 13.394 -4.151 -1.519 1.00 0.00 C ATOM 421 C LEU A 121 13.221 -2.644 -1.693 1.00 0.00 C ATOM 422 O LEU A 121 13.741 -2.046 -2.614 1.00 0.00 O ATOM 423 CB LEU A 121 14.762 -4.425 -0.893 1.00 0.00 C ATOM 424 CG LEU A 121 14.679 -5.656 0.009 1.00 0.00 C ATOM 425 CD1 LEU A 121 16.089 -6.186 0.277 1.00 0.00 C ATOM 426 CD2 LEU A 121 14.020 -5.264 1.337 1.00 0.00 C ATOM 0 H LEU A 121 14.181 -5.007 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 121 12.607 -4.533 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.505 -4.584 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.088 -3.560 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 121 14.087 -6.430 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.031 -7.064 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.561 -6.458 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.680 -5.414 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.958 -6.139 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.616 -4.493 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.017 -4.882 1.147 1.00 0.00 H new ATOM 438 N LEU A 122 12.506 -2.026 -0.796 1.00 0.00 N ATOM 439 CA LEU A 122 12.304 -0.555 -0.880 1.00 0.00 C ATOM 440 C LEU A 122 13.514 0.139 -0.253 1.00 0.00 C ATOM 441 O LEU A 122 13.590 0.301 0.947 1.00 0.00 O ATOM 442 CB LEU A 122 11.038 -0.168 -0.109 1.00 0.00 C ATOM 443 CG LEU A 122 9.914 -1.159 -0.427 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.990 -1.287 0.784 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.111 -0.651 -1.625 1.00 0.00 C ATOM 0 H LEU A 122 12.051 -2.480 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 122 12.196 -0.251 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.240 -0.165 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.731 0.843 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 122 10.344 -2.132 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.190 -1.992 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.560 -1.647 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.560 -0.313 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.311 -1.356 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.681 0.322 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.768 -0.557 -2.490 1.00 0.00 H new ATOM 457 N TYR A 123 14.467 0.534 -1.055 1.00 0.00 N ATOM 458 CA TYR A 123 15.683 1.203 -0.507 1.00 0.00 C ATOM 459 C TYR A 123 15.294 2.158 0.624 1.00 0.00 C ATOM 460 O TYR A 123 14.261 2.797 0.584 1.00 0.00 O ATOM 461 CB TYR A 123 16.378 1.985 -1.622 1.00 0.00 C ATOM 462 CG TYR A 123 16.774 1.035 -2.726 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.437 -0.161 -2.418 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.478 1.347 -4.060 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.802 -1.043 -3.443 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.843 0.466 -5.085 1.00 0.00 C ATOM 467 CZ TYR A 123 17.506 -0.731 -4.777 1.00 0.00 C ATOM 468 OH TYR A 123 17.867 -1.599 -5.786 1.00 0.00 O ATOM 0 H TYR A 123 14.456 0.422 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 123 16.360 0.446 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.712 2.755 -2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.259 2.493 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.666 -0.402 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.967 2.269 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.312 -1.965 -3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.614 0.708 -6.112 1.00 0.00 H new ATOM 0 HH TYR A 123 17.586 -1.231 -6.650 1.00 0.00 H new ATOM 478 N GLY A 124 16.113 2.253 1.636 1.00 0.00 N ATOM 479 CA GLY A 124 15.796 3.159 2.778 1.00 0.00 C ATOM 480 C GLY A 124 15.714 4.603 2.284 1.00 0.00 C ATOM 481 O GLY A 124 15.256 5.483 2.987 1.00 0.00 O ATOM 0 H GLY A 124 16.991 1.741 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 124 14.850 2.867 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.563 3.071 3.548 1.00 0.00 H new ATOM 485 N LEU A 125 16.153 4.859 1.083 1.00 0.00 N ATOM 486 CA LEU A 125 16.096 6.248 0.549 1.00 0.00 C ATOM 487 C LEU A 125 14.645 6.732 0.545 1.00 0.00 C ATOM 488 O LEU A 125 14.377 7.916 0.501 1.00 0.00 O ATOM 489 CB LEU A 125 16.636 6.262 -0.879 1.00 0.00 C ATOM 490 CG LEU A 125 18.165 6.265 -0.848 1.00 0.00 C ATOM 491 CD1 LEU A 125 18.704 6.133 -2.274 1.00 0.00 C ATOM 492 CD2 LEU A 125 18.659 7.579 -0.238 1.00 0.00 C ATOM 0 H LEU A 125 16.549 4.166 0.448 1.00 0.00 H new ATOM 0 HA LEU A 125 16.699 6.905 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 125 16.275 5.390 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 125 16.271 7.142 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 125 18.518 5.428 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.794 6.135 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 125 18.351 5.199 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 125 18.351 6.971 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.749 7.583 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 125 18.306 8.416 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.275 7.676 0.777 1.00 0.00 H new ATOM 504 N VAL A 126 13.708 5.827 0.583 1.00 0.00 N ATOM 505 CA VAL A 126 12.275 6.239 0.573 1.00 0.00 C ATOM 506 C VAL A 126 11.617 5.866 1.904 1.00 0.00 C ATOM 507 O VAL A 126 10.451 5.529 1.953 1.00 0.00 O ATOM 508 CB VAL A 126 11.550 5.521 -0.566 1.00 0.00 C ATOM 509 CG1 VAL A 126 11.934 6.159 -1.902 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.952 4.045 -0.573 1.00 0.00 C ATOM 0 H VAL A 126 13.871 4.821 0.621 1.00 0.00 H new ATOM 0 HA VAL A 126 12.213 7.318 0.430 1.00 0.00 H new ATOM 0 HB VAL A 126 10.473 5.606 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.416 5.646 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.649 7.211 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 126 13.011 6.075 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.436 3.531 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 126 13.029 3.962 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.677 3.589 0.378 1.00 0.00 H new ATOM 520 N HIS A 127 12.354 5.926 2.981 1.00 0.00 N ATOM 521 CA HIS A 127 11.768 5.575 4.309 1.00 0.00 C ATOM 522 C HIS A 127 10.890 4.331 4.164 1.00 0.00 C ATOM 523 O HIS A 127 9.678 4.413 4.180 1.00 0.00 O ATOM 524 CB HIS A 127 10.919 6.741 4.817 1.00 0.00 C ATOM 525 CG HIS A 127 11.182 6.951 6.283 1.00 0.00 C ATOM 526 ND1 HIS A 127 12.310 6.776 7.046 1.00 0.00 N flip ATOM 527 CD2 HIS A 127 10.201 7.399 7.153 1.00 0.00 C flip ATOM 528 CE1 HIS A 127 12.036 7.111 8.369 1.00 0.00 C flip ATOM 529 NE2 HIS A 127 10.752 7.479 8.378 1.00 0.00 N flip ATOM 0 H HIS A 127 13.336 6.203 2.999 1.00 0.00 H new ATOM 0 HA HIS A 127 12.570 5.374 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.157 7.648 4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.862 6.534 4.652 1.00 0.00 H new ATOM 0 HD1 HIS A 127 13.211 6.450 6.697 1.00 0.00 H new ATOM 0 HD2 HIS A 127 9.180 7.640 6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.716 7.080 9.208 1.00 0.00 H new ATOM 537 N GLN A 128 11.489 3.182 4.013 1.00 0.00 N ATOM 538 CA GLN A 128 10.679 1.942 3.858 1.00 0.00 C ATOM 539 C GLN A 128 9.854 2.047 2.572 1.00 0.00 C ATOM 540 O GLN A 128 10.303 2.591 1.584 1.00 0.00 O ATOM 541 CB GLN A 128 9.745 1.789 5.063 1.00 0.00 C ATOM 542 CG GLN A 128 9.617 0.307 5.423 1.00 0.00 C ATOM 543 CD GLN A 128 8.145 -0.107 5.374 1.00 0.00 C ATOM 544 OE1 GLN A 128 7.245 0.655 5.934 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 7.809 -1.135 4.821 1.00 0.00 N flip ATOM 0 H GLN A 128 12.500 3.049 3.990 1.00 0.00 H new ATOM 0 HA GLN A 128 11.334 1.073 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.136 2.348 5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.764 2.204 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.199 -0.298 4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.023 0.128 6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 128 8.511 -1.731 4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.825 -1.402 4.795 1.00 0.00 H new ATOM 554 N GLY A 129 8.654 1.535 2.571 1.00 0.00 N ATOM 555 CA GLY A 129 7.816 1.617 1.343 1.00 0.00 C ATOM 556 C GLY A 129 6.466 2.247 1.687 1.00 0.00 C ATOM 557 O GLY A 129 6.241 2.689 2.796 1.00 0.00 O ATOM 0 H GLY A 129 8.219 1.065 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.323 2.211 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.668 0.622 0.924 1.00 0.00 H new ATOM 561 N MET A 130 5.567 2.286 0.744 1.00 0.00 N ATOM 562 CA MET A 130 4.229 2.884 1.014 1.00 0.00 C ATOM 563 C MET A 130 3.288 1.794 1.529 1.00 0.00 C ATOM 564 O MET A 130 2.883 0.915 0.794 1.00 0.00 O ATOM 565 CB MET A 130 3.664 3.469 -0.282 1.00 0.00 C ATOM 566 CG MET A 130 4.094 4.930 -0.417 1.00 0.00 C ATOM 567 SD MET A 130 5.753 5.005 -1.135 1.00 0.00 S ATOM 568 CE MET A 130 6.676 4.861 0.414 1.00 0.00 C ATOM 0 H MET A 130 5.700 1.930 -0.202 1.00 0.00 H new ATOM 0 HA MET A 130 4.323 3.673 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.020 2.894 -1.137 1.00 0.00 H new ATOM 0 HB3 MET A 130 2.576 3.398 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 130 3.388 5.471 -1.047 1.00 0.00 H new ATOM 0 HG3 MET A 130 4.086 5.414 0.559 1.00 0.00 H new ATOM 0 HE1 MET A 130 7.231 5.782 0.594 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.982 4.690 1.237 1.00 0.00 H new ATOM 0 HE3 MET A 130 7.372 4.025 0.346 1.00 0.00 H new ATOM 578 N LYS A 131 2.938 1.841 2.784 1.00 0.00 N ATOM 579 CA LYS A 131 2.026 0.803 3.337 1.00 0.00 C ATOM 580 C LYS A 131 0.577 1.270 3.209 1.00 0.00 C ATOM 581 O LYS A 131 0.173 2.248 3.807 1.00 0.00 O ATOM 582 CB LYS A 131 2.353 0.567 4.811 1.00 0.00 C ATOM 583 CG LYS A 131 1.258 -0.294 5.444 1.00 0.00 C ATOM 584 CD LYS A 131 1.632 -0.621 6.891 1.00 0.00 C ATOM 585 CE LYS A 131 0.382 -1.065 7.653 1.00 0.00 C ATOM 586 NZ LYS A 131 0.324 -2.554 7.689 1.00 0.00 N ATOM 0 H LYS A 131 3.243 2.552 3.449 1.00 0.00 H new ATOM 0 HA LYS A 131 2.159 -0.125 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.320 0.072 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.430 1.520 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.305 0.234 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.131 -1.214 4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.384 -1.409 6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.072 0.253 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.401 -0.667 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.511 -0.667 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.526 -2.856 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.287 -2.924 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.170 -2.923 8.168 1.00 0.00 H new ATOM 600 N CYS A 132 -0.212 0.574 2.439 1.00 0.00 N ATOM 601 CA CYS A 132 -1.637 0.974 2.280 1.00 0.00 C ATOM 602 C CYS A 132 -2.349 0.824 3.625 1.00 0.00 C ATOM 603 O CYS A 132 -2.369 -0.240 4.213 1.00 0.00 O ATOM 604 CB CYS A 132 -2.306 0.078 1.237 1.00 0.00 C ATOM 605 SG CYS A 132 -4.058 0.510 1.100 1.00 0.00 S ATOM 0 H CYS A 132 0.068 -0.254 1.913 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.696 2.011 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.815 0.198 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.200 -0.969 1.521 1.00 0.00 H new ATOM 610 N SER A 133 -2.931 1.882 4.120 1.00 0.00 N ATOM 611 CA SER A 133 -3.636 1.804 5.434 1.00 0.00 C ATOM 612 C SER A 133 -5.052 1.250 5.244 1.00 0.00 C ATOM 613 O SER A 133 -5.986 1.682 5.891 1.00 0.00 O ATOM 614 CB SER A 133 -3.718 3.203 6.046 1.00 0.00 C ATOM 615 OG SER A 133 -3.659 3.101 7.462 1.00 0.00 O ATOM 0 H SER A 133 -2.950 2.798 3.672 1.00 0.00 H new ATOM 0 HA SER A 133 -3.081 1.140 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.898 3.821 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.645 3.691 5.743 1.00 0.00 H new ATOM 0 HG SER A 133 -3.710 3.996 7.857 1.00 0.00 H new ATOM 621 N CYS A 134 -5.222 0.297 4.368 1.00 0.00 N ATOM 622 CA CYS A 134 -6.577 -0.280 4.148 1.00 0.00 C ATOM 623 C CYS A 134 -6.444 -1.739 3.704 1.00 0.00 C ATOM 624 O CYS A 134 -7.228 -2.587 4.080 1.00 0.00 O ATOM 625 CB CYS A 134 -7.303 0.520 3.064 1.00 0.00 C ATOM 626 SG CYS A 134 -8.978 -0.133 2.852 1.00 0.00 S ATOM 0 H CYS A 134 -4.480 -0.106 3.796 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.147 -0.233 5.076 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.344 1.574 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.755 0.459 2.123 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.061 -1.303 3.412 1.00 0.00 H new ATOM 632 N CYS A 135 -5.460 -2.034 2.899 1.00 0.00 N ATOM 633 CA CYS A 135 -5.278 -3.433 2.422 1.00 0.00 C ATOM 634 C CYS A 135 -3.932 -3.977 2.910 1.00 0.00 C ATOM 635 O CYS A 135 -3.598 -5.122 2.682 1.00 0.00 O ATOM 636 CB CYS A 135 -5.308 -3.449 0.892 1.00 0.00 C ATOM 637 SG CYS A 135 -4.001 -2.369 0.256 1.00 0.00 S ATOM 0 H CYS A 135 -4.773 -1.365 2.551 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.080 -4.058 2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.166 -4.465 0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.280 -3.113 0.532 1.00 0.00 H new ATOM 642 N GLU A 136 -3.155 -3.166 3.579 1.00 0.00 N ATOM 643 CA GLU A 136 -1.832 -3.641 4.076 1.00 0.00 C ATOM 644 C GLU A 136 -0.925 -3.960 2.885 1.00 0.00 C ATOM 645 O GLU A 136 0.022 -4.713 2.995 1.00 0.00 O ATOM 646 CB GLU A 136 -2.026 -4.901 4.923 1.00 0.00 C ATOM 647 CG GLU A 136 -3.040 -4.621 6.033 1.00 0.00 C ATOM 648 CD GLU A 136 -3.871 -5.878 6.293 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.363 -6.961 6.052 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.002 -5.737 6.729 1.00 0.00 O ATOM 0 H GLU A 136 -3.380 -2.196 3.802 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.372 -2.863 4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.374 -5.722 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.075 -5.211 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.524 -4.319 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.691 -3.795 5.746 1.00 0.00 H new ATOM 657 N MET A 137 -1.213 -3.392 1.747 1.00 0.00 N ATOM 658 CA MET A 137 -0.378 -3.655 0.540 1.00 0.00 C ATOM 659 C MET A 137 0.817 -2.698 0.527 1.00 0.00 C ATOM 660 O MET A 137 0.664 -1.502 0.380 1.00 0.00 O ATOM 661 CB MET A 137 -1.231 -3.429 -0.709 1.00 0.00 C ATOM 662 CG MET A 137 -0.554 -4.056 -1.928 1.00 0.00 C ATOM 663 SD MET A 137 -1.758 -5.073 -2.815 1.00 0.00 S ATOM 664 CE MET A 137 -1.075 -4.840 -4.473 1.00 0.00 C ATOM 0 H MET A 137 -1.995 -2.754 1.600 1.00 0.00 H new ATOM 0 HA MET A 137 -0.013 -4.682 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.220 -3.866 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 137 -1.375 -2.361 -0.872 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.164 -3.277 -2.583 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.295 -4.664 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.676 -5.392 -5.195 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.087 -3.780 -4.726 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.049 -5.207 -4.499 1.00 0.00 H new ATOM 674 N ASN A 138 2.006 -3.215 0.682 1.00 0.00 N ATOM 675 CA ASN A 138 3.208 -2.334 0.679 1.00 0.00 C ATOM 676 C ASN A 138 3.848 -2.346 -0.711 1.00 0.00 C ATOM 677 O ASN A 138 4.030 -3.385 -1.314 1.00 0.00 O ATOM 678 CB ASN A 138 4.219 -2.847 1.708 1.00 0.00 C ATOM 679 CG ASN A 138 3.608 -2.772 3.108 1.00 0.00 C ATOM 680 OD1 ASN A 138 2.406 -2.865 3.265 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.389 -2.606 4.140 1.00 0.00 N ATOM 0 H ASN A 138 2.196 -4.209 0.810 1.00 0.00 H new ATOM 0 HA ASN A 138 2.912 -1.317 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.499 -3.875 1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.131 -2.251 1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.991 -2.554 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.398 -2.528 4.009 1.00 0.00 H new ATOM 688 N VAL A 139 4.194 -1.198 -1.226 1.00 0.00 N ATOM 689 CA VAL A 139 4.823 -1.147 -2.576 1.00 0.00 C ATOM 690 C VAL A 139 5.925 -0.086 -2.587 1.00 0.00 C ATOM 691 O VAL A 139 6.269 0.475 -1.566 1.00 0.00 O ATOM 692 CB VAL A 139 3.762 -0.792 -3.621 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.053 -2.066 -4.081 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.739 0.166 -3.006 1.00 0.00 C ATOM 0 H VAL A 139 4.068 -0.294 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 139 5.254 -2.120 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 139 4.241 -0.313 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.297 -1.814 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.780 -2.749 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.575 -2.545 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.984 0.419 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.261 -0.312 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.243 1.075 -2.678 1.00 0.00 H new ATOM 704 N HIS A 140 6.481 0.194 -3.732 1.00 0.00 N ATOM 705 CA HIS A 140 7.561 1.219 -3.806 1.00 0.00 C ATOM 706 C HIS A 140 6.941 2.601 -4.009 1.00 0.00 C ATOM 707 O HIS A 140 5.749 2.738 -4.200 1.00 0.00 O ATOM 708 CB HIS A 140 8.487 0.908 -4.983 1.00 0.00 C ATOM 709 CG HIS A 140 9.460 -0.166 -4.589 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.250 -1.500 -4.898 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.653 -0.121 -3.911 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.293 -2.198 -4.411 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.178 -1.405 -3.800 1.00 0.00 N ATOM 0 H HIS A 140 6.235 -0.242 -4.621 1.00 0.00 H new ATOM 0 HA HIS A 140 8.132 1.204 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.902 0.584 -5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.025 1.807 -5.283 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.114 0.775 -3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.401 -3.269 -4.503 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.050 -1.681 -3.349 1.00 0.00 H new ATOM 720 N ARG A 141 7.745 3.627 -3.977 1.00 0.00 N ATOM 721 CA ARG A 141 7.208 5.001 -4.174 1.00 0.00 C ATOM 722 C ARG A 141 6.857 5.198 -5.649 1.00 0.00 C ATOM 723 O ARG A 141 5.900 5.867 -5.986 1.00 0.00 O ATOM 724 CB ARG A 141 8.267 6.023 -3.761 1.00 0.00 C ATOM 725 CG ARG A 141 7.587 7.232 -3.119 1.00 0.00 C ATOM 726 CD ARG A 141 8.542 8.427 -3.144 1.00 0.00 C ATOM 727 NE ARG A 141 8.319 9.212 -4.390 1.00 0.00 N ATOM 728 CZ ARG A 141 8.779 8.773 -5.530 1.00 0.00 C ATOM 729 NH1 ARG A 141 10.057 8.564 -5.681 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.958 8.541 -6.518 1.00 0.00 N ATOM 0 H ARG A 141 8.752 3.573 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 141 6.315 5.137 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.969 5.572 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.844 6.337 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.670 7.474 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.304 7.001 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 141 8.377 9.057 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.575 8.082 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 141 7.807 10.093 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 141 10.698 8.744 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.416 8.221 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.958 8.703 -6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 141 8.317 8.198 -7.409 1.00 0.00 H new ATOM 744 N ARG A 142 7.621 4.616 -6.533 1.00 0.00 N ATOM 745 CA ARG A 142 7.332 4.766 -7.986 1.00 0.00 C ATOM 746 C ARG A 142 6.564 3.538 -8.482 1.00 0.00 C ATOM 747 O ARG A 142 6.333 3.374 -9.663 1.00 0.00 O ATOM 748 CB ARG A 142 8.646 4.894 -8.757 1.00 0.00 C ATOM 749 CG ARG A 142 9.626 5.755 -7.957 1.00 0.00 C ATOM 750 CD ARG A 142 10.181 6.866 -8.852 1.00 0.00 C ATOM 751 NE ARG A 142 10.904 6.260 -10.006 1.00 0.00 N ATOM 752 CZ ARG A 142 11.144 6.974 -11.072 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.139 7.819 -11.081 1.00 0.00 N ATOM 754 NH2 ARG A 142 10.391 6.843 -12.128 1.00 0.00 N ATOM 0 H ARG A 142 8.434 4.042 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 142 6.730 5.660 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.073 3.907 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.465 5.343 -9.734 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.123 6.188 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.441 5.139 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 142 9.369 7.499 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.855 7.505 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 142 11.211 5.288 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.729 7.921 -10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.327 8.377 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 142 9.614 6.182 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 142 10.579 7.401 -12.961 1.00 0.00 H new ATOM 768 N CYS A 143 6.166 2.673 -7.587 1.00 0.00 N ATOM 769 CA CYS A 143 5.414 1.458 -8.008 1.00 0.00 C ATOM 770 C CYS A 143 3.915 1.766 -8.011 1.00 0.00 C ATOM 771 O CYS A 143 3.130 1.082 -8.637 1.00 0.00 O ATOM 772 CB CYS A 143 5.696 0.319 -7.026 1.00 0.00 C ATOM 773 SG CYS A 143 6.956 -0.783 -7.718 1.00 0.00 S ATOM 0 H CYS A 143 6.330 2.756 -6.584 1.00 0.00 H new ATOM 0 HA CYS A 143 5.729 1.162 -9.009 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.036 0.723 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.781 -0.238 -6.827 1.00 0.00 H new ATOM 778 N VAL A 144 3.512 2.795 -7.315 1.00 0.00 N ATOM 779 CA VAL A 144 2.066 3.149 -7.277 1.00 0.00 C ATOM 780 C VAL A 144 1.613 3.590 -8.670 1.00 0.00 C ATOM 781 O VAL A 144 0.478 3.389 -9.057 1.00 0.00 O ATOM 782 CB VAL A 144 1.848 4.294 -6.285 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.379 4.333 -5.864 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.726 4.070 -5.052 1.00 0.00 C ATOM 0 H VAL A 144 4.123 3.405 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 144 1.487 2.280 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 144 2.114 5.240 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.224 5.149 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.247 4.490 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.111 3.388 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.573 4.884 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.458 3.124 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.774 4.042 -5.352 1.00 0.00 H new ATOM 794 N ARG A 145 2.490 4.192 -9.426 1.00 0.00 N ATOM 795 CA ARG A 145 2.108 4.645 -10.793 1.00 0.00 C ATOM 796 C ARG A 145 1.890 3.427 -11.693 1.00 0.00 C ATOM 797 O ARG A 145 1.359 3.534 -12.780 1.00 0.00 O ATOM 798 CB ARG A 145 3.227 5.515 -11.372 1.00 0.00 C ATOM 799 CG ARG A 145 2.666 6.384 -12.500 1.00 0.00 C ATOM 800 CD ARG A 145 3.738 7.371 -12.966 1.00 0.00 C ATOM 801 NE ARG A 145 4.839 6.627 -13.639 1.00 0.00 N ATOM 802 CZ ARG A 145 5.253 6.999 -14.820 1.00 0.00 C ATOM 803 NH1 ARG A 145 5.416 8.266 -15.085 1.00 0.00 N ATOM 804 NH2 ARG A 145 5.504 6.103 -15.735 1.00 0.00 N ATOM 0 H ARG A 145 3.454 4.389 -9.156 1.00 0.00 H new ATOM 0 HA ARG A 145 1.187 5.225 -10.740 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.654 6.145 -10.591 1.00 0.00 H new ATOM 0 HB3 ARG A 145 4.033 4.886 -11.750 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.348 5.757 -13.333 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.785 6.924 -12.153 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.304 8.099 -13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 145 4.129 7.929 -12.115 1.00 0.00 H new ATOM 0 HE ARG A 145 5.270 5.826 -13.177 1.00 0.00 H new ATOM 0 HH11 ARG A 145 5.220 8.966 -14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 145 5.739 8.557 -16.008 1.00 0.00 H new ATOM 0 HH21 ARG A 145 5.377 5.113 -15.527 1.00 0.00 H new ATOM 0 HH22 ARG A 145 5.827 6.393 -16.658 1.00 0.00 H new ATOM 818 N SER A 146 2.297 2.269 -11.248 1.00 0.00 N ATOM 819 CA SER A 146 2.113 1.046 -12.079 1.00 0.00 C ATOM 820 C SER A 146 0.966 0.209 -11.509 1.00 0.00 C ATOM 821 O SER A 146 0.460 -0.688 -12.156 1.00 0.00 O ATOM 822 CB SER A 146 3.401 0.222 -12.066 1.00 0.00 C ATOM 823 OG SER A 146 4.505 1.074 -12.337 1.00 0.00 O ATOM 0 H SER A 146 2.748 2.118 -10.346 1.00 0.00 H new ATOM 0 HA SER A 146 1.877 1.335 -13.103 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.528 -0.260 -11.097 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.347 -0.571 -12.812 1.00 0.00 H new ATOM 0 HG SER A 146 5.333 0.550 -12.328 1.00 0.00 H new ATOM 829 N VAL A 147 0.550 0.492 -10.304 1.00 0.00 N ATOM 830 CA VAL A 147 -0.563 -0.290 -9.698 1.00 0.00 C ATOM 831 C VAL A 147 -1.896 0.170 -10.301 1.00 0.00 C ATOM 832 O VAL A 147 -2.098 1.348 -10.519 1.00 0.00 O ATOM 833 CB VAL A 147 -0.582 -0.062 -8.186 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.657 -0.944 -7.549 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.785 -0.421 -7.600 1.00 0.00 C ATOM 0 H VAL A 147 0.933 1.231 -9.714 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.417 -1.350 -9.903 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.803 0.985 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.670 -0.781 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.631 -0.689 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.437 -1.992 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.773 -0.259 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.006 -1.468 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.552 0.208 -8.053 1.00 0.00 H new ATOM 845 N PRO A 148 -2.769 -0.776 -10.553 1.00 0.00 N ATOM 846 CA PRO A 148 -4.096 -0.499 -11.135 1.00 0.00 C ATOM 847 C PRO A 148 -5.074 -0.012 -10.059 1.00 0.00 C ATOM 848 O PRO A 148 -6.235 -0.371 -10.060 1.00 0.00 O ATOM 849 CB PRO A 148 -4.536 -1.860 -11.679 1.00 0.00 C ATOM 850 CG PRO A 148 -3.733 -2.926 -10.893 1.00 0.00 C ATOM 851 CD PRO A 148 -2.512 -2.206 -10.291 1.00 0.00 C ATOM 0 HA PRO A 148 -4.069 0.281 -11.896 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.608 -2.004 -11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.337 -1.934 -12.748 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.345 -3.371 -10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.419 -3.736 -11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.419 -2.405 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.584 -2.536 -10.759 1.00 0.00 H new ATOM 859 N SER A 149 -4.622 0.802 -9.143 1.00 0.00 N ATOM 860 CA SER A 149 -5.535 1.303 -8.077 1.00 0.00 C ATOM 861 C SER A 149 -6.386 0.144 -7.550 1.00 0.00 C ATOM 862 O SER A 149 -7.485 0.338 -7.068 1.00 0.00 O ATOM 863 CB SER A 149 -6.448 2.384 -8.656 1.00 0.00 C ATOM 864 OG SER A 149 -5.825 2.963 -9.795 1.00 0.00 O ATOM 0 H SER A 149 -3.662 1.141 -9.087 1.00 0.00 H new ATOM 0 HA SER A 149 -4.947 1.723 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.410 1.954 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.645 3.150 -7.906 1.00 0.00 H new ATOM 0 HG SER A 149 -6.408 3.656 -10.170 1.00 0.00 H new ATOM 870 N LEU A 150 -5.887 -1.058 -7.639 1.00 0.00 N ATOM 871 CA LEU A 150 -6.667 -2.228 -7.144 1.00 0.00 C ATOM 872 C LEU A 150 -6.615 -2.264 -5.616 1.00 0.00 C ATOM 873 O LEU A 150 -5.844 -2.996 -5.028 1.00 0.00 O ATOM 874 CB LEU A 150 -6.064 -3.518 -7.704 1.00 0.00 C ATOM 875 CG LEU A 150 -7.167 -4.363 -8.344 1.00 0.00 C ATOM 876 CD1 LEU A 150 -6.570 -5.672 -8.864 1.00 0.00 C ATOM 877 CD2 LEU A 150 -8.240 -4.673 -7.297 1.00 0.00 C ATOM 0 H LEU A 150 -4.973 -1.281 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.703 -2.139 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.297 -3.283 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.577 -4.080 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 150 -7.613 -3.813 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.356 -6.274 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.803 -5.452 -9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.125 -6.223 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -9.027 -5.275 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.793 -5.224 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.665 -3.741 -6.925 1.00 0.00 H new ATOM 889 N CYS A 151 -7.431 -1.480 -4.966 1.00 0.00 N ATOM 890 CA CYS A 151 -7.427 -1.470 -3.478 1.00 0.00 C ATOM 891 C CYS A 151 -8.717 -2.110 -2.961 1.00 0.00 C ATOM 892 O CYS A 151 -9.670 -1.432 -2.632 1.00 0.00 O ATOM 893 CB CYS A 151 -7.336 -0.026 -2.977 1.00 0.00 C ATOM 894 SG CYS A 151 -7.111 -0.025 -1.180 1.00 0.00 S ATOM 0 H CYS A 151 -8.100 -0.846 -5.403 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.569 -2.035 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.503 0.486 -3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.242 0.520 -3.241 1.00 0.00 H new ATOM 899 N GLY A 152 -8.756 -3.413 -2.886 1.00 0.00 N ATOM 900 CA GLY A 152 -9.985 -4.095 -2.392 1.00 0.00 C ATOM 901 C GLY A 152 -10.752 -4.689 -3.573 1.00 0.00 C ATOM 902 O GLY A 152 -11.334 -3.978 -4.369 1.00 0.00 O ATOM 0 H GLY A 152 -7.990 -4.034 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -9.718 -4.882 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -10.616 -3.386 -1.855 1.00 0.00 H new ATOM 906 N VAL A 153 -10.756 -5.988 -3.698 1.00 0.00 N ATOM 907 CA VAL A 153 -11.485 -6.626 -4.829 1.00 0.00 C ATOM 908 C VAL A 153 -11.994 -8.003 -4.396 1.00 0.00 C ATOM 909 O VAL A 153 -11.321 -8.730 -3.692 1.00 0.00 O ATOM 910 CB VAL A 153 -10.539 -6.785 -6.020 1.00 0.00 C ATOM 911 CG1 VAL A 153 -9.473 -7.831 -5.691 1.00 0.00 C ATOM 912 CG2 VAL A 153 -11.337 -7.239 -7.246 1.00 0.00 C ATOM 0 H VAL A 153 -10.285 -6.635 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 153 -12.330 -6.000 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 153 -10.057 -5.830 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -8.799 -7.944 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -8.905 -7.510 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -9.954 -8.786 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -10.664 -7.353 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -11.818 -8.194 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -12.097 -6.494 -7.482 1.00 0.00 H new ATOM 922 N ASP A 154 -13.175 -8.367 -4.813 1.00 0.00 N ATOM 923 CA ASP A 154 -13.723 -9.697 -4.425 1.00 0.00 C ATOM 924 C ASP A 154 -12.771 -10.797 -4.897 1.00 0.00 C ATOM 925 O ASP A 154 -11.823 -10.546 -5.614 1.00 0.00 O ATOM 926 CB ASP A 154 -15.093 -9.894 -5.078 1.00 0.00 C ATOM 927 CG ASP A 154 -16.171 -9.239 -4.214 1.00 0.00 C ATOM 928 OD1 ASP A 154 -15.918 -8.162 -3.701 1.00 0.00 O ATOM 929 OD2 ASP A 154 -17.232 -9.826 -4.078 1.00 0.00 O ATOM 0 H ASP A 154 -13.784 -7.802 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 154 -13.827 -9.746 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -15.098 -9.457 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -15.302 -10.957 -5.195 1.00 0.00 H new ATOM 934 N HIS A 155 -13.013 -12.016 -4.498 1.00 0.00 N ATOM 935 CA HIS A 155 -12.121 -13.131 -4.924 1.00 0.00 C ATOM 936 C HIS A 155 -12.943 -14.184 -5.671 1.00 0.00 C ATOM 937 O HIS A 155 -14.154 -14.214 -5.587 1.00 0.00 O ATOM 938 CB HIS A 155 -11.474 -13.766 -3.691 1.00 0.00 C ATOM 939 CG HIS A 155 -12.527 -14.019 -2.647 1.00 0.00 C ATOM 940 ND1 HIS A 155 -13.610 -14.852 -2.876 1.00 0.00 N ATOM 941 CD2 HIS A 155 -12.676 -13.554 -1.364 1.00 0.00 C ATOM 942 CE1 HIS A 155 -14.356 -14.866 -1.756 1.00 0.00 C ATOM 943 NE2 HIS A 155 -13.832 -14.091 -0.803 1.00 0.00 N ATOM 0 H HIS A 155 -13.790 -12.288 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 155 -11.343 -12.744 -5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.985 -14.701 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -10.702 -13.108 -3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.000 -12.875 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -15.267 -15.435 -1.642 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -14.199 -13.928 0.134 1.00 0.00 H new ATOM 951 N THR A 156 -12.294 -15.050 -6.400 1.00 0.00 N ATOM 952 CA THR A 156 -13.039 -16.098 -7.151 1.00 0.00 C ATOM 953 C THR A 156 -12.711 -17.474 -6.566 1.00 0.00 C ATOM 954 O THR A 156 -12.749 -18.476 -7.252 1.00 0.00 O ATOM 955 CB THR A 156 -12.628 -16.060 -8.626 1.00 0.00 C ATOM 956 OG1 THR A 156 -11.256 -15.707 -8.724 1.00 0.00 O ATOM 957 CG2 THR A 156 -13.477 -15.027 -9.367 1.00 0.00 C ATOM 0 H THR A 156 -11.280 -15.077 -6.508 1.00 0.00 H new ATOM 0 HA THR A 156 -14.110 -15.912 -7.068 1.00 0.00 H new ATOM 0 HB THR A 156 -12.784 -17.042 -9.073 1.00 0.00 H new ATOM 0 HG1 THR A 156 -10.991 -15.684 -9.667 1.00 0.00 H new ATOM 0 HG21 THR A 156 -13.184 -15.001 -10.417 1.00 0.00 H new ATOM 0 HG22 THR A 156 -14.530 -15.299 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 156 -13.324 -14.044 -8.923 1.00 0.00 H new ATOM 965 N GLU A 157 -12.391 -17.532 -5.302 1.00 0.00 N ATOM 966 CA GLU A 157 -12.062 -18.844 -4.676 1.00 0.00 C ATOM 967 C GLU A 157 -13.257 -19.789 -4.817 1.00 0.00 C ATOM 968 O GLU A 157 -14.204 -19.506 -5.524 1.00 0.00 O ATOM 969 CB GLU A 157 -11.748 -18.637 -3.193 1.00 0.00 C ATOM 970 CG GLU A 157 -10.256 -18.337 -3.024 1.00 0.00 C ATOM 971 CD GLU A 157 -9.889 -18.393 -1.540 1.00 0.00 C ATOM 972 OE1 GLU A 157 -10.670 -18.934 -0.776 1.00 0.00 O ATOM 973 OE2 GLU A 157 -8.831 -17.893 -1.194 1.00 0.00 O ATOM 0 H GLU A 157 -12.343 -16.728 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 157 -11.195 -19.277 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.343 -17.814 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -12.017 -19.528 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -9.663 -19.060 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -10.024 -17.352 -3.430 1.00 0.00 H new ATOM 980 N ARG A 158 -13.221 -20.909 -4.150 1.00 0.00 N ATOM 981 CA ARG A 158 -14.356 -21.870 -4.246 1.00 0.00 C ATOM 982 C ARG A 158 -14.964 -22.082 -2.859 1.00 0.00 C ATOM 983 O ARG A 158 -14.830 -23.133 -2.265 1.00 0.00 O ATOM 984 CB ARG A 158 -13.848 -23.207 -4.790 1.00 0.00 C ATOM 985 CG ARG A 158 -12.991 -22.961 -6.033 1.00 0.00 C ATOM 986 CD ARG A 158 -13.351 -23.985 -7.112 1.00 0.00 C ATOM 987 NE ARG A 158 -13.942 -23.281 -8.286 1.00 0.00 N ATOM 988 CZ ARG A 158 -14.293 -23.960 -9.344 1.00 0.00 C ATOM 989 NH1 ARG A 158 -14.722 -25.186 -9.221 1.00 0.00 N ATOM 990 NH2 ARG A 158 -14.215 -23.411 -10.525 1.00 0.00 N ATOM 0 H ARG A 158 -12.455 -21.201 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.115 -21.469 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -13.263 -23.723 -4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -14.689 -23.854 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.155 -21.950 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -11.934 -23.040 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -12.462 -24.538 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -14.059 -24.713 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 158 -14.072 -22.270 -8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -14.783 -25.615 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.996 -25.716 -10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -13.880 -22.452 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -14.489 -23.940 -11.353 1.00 0.00 H new ATOM 1004 N ARG A 159 -15.633 -21.091 -2.336 1.00 0.00 N ATOM 1005 CA ARG A 159 -16.250 -21.236 -0.987 1.00 0.00 C ATOM 1006 C ARG A 159 -17.770 -21.324 -1.128 1.00 0.00 C ATOM 1007 O ARG A 159 -18.385 -20.294 -1.352 1.00 0.00 O ATOM 1008 CB ARG A 159 -15.886 -20.023 -0.127 1.00 0.00 C ATOM 1009 CG ARG A 159 -14.374 -19.993 0.100 1.00 0.00 C ATOM 1010 CD ARG A 159 -14.074 -19.372 1.465 1.00 0.00 C ATOM 1011 NE ARG A 159 -12.806 -19.939 2.001 1.00 0.00 N ATOM 1012 CZ ARG A 159 -12.587 -19.946 3.288 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -13.470 -20.466 4.097 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -11.487 -19.433 3.766 1.00 0.00 N ATOM 1015 OXT ARG A 159 -18.294 -22.419 -1.011 1.00 0.00 O ATOM 0 H ARG A 159 -15.779 -20.187 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 159 -15.877 -22.143 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -16.209 -19.105 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -16.407 -20.072 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -13.968 -21.004 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -13.889 -19.417 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -13.990 -18.289 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -14.894 -19.571 2.155 1.00 0.00 H new ATOM 0 HE ARG A 159 -12.109 -20.322 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -14.330 -20.867 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -13.299 -20.472 5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -10.797 -19.026 3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -11.317 -19.439 4.772 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.903 -0.525 -0.781 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 7.700 -2.145 -6.008 1.00 0.00 ZN