USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 46 HIS HD1 : A 46 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HD1 : A 49 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 HIS : no HD1:sc= -9.09! C(o=-9.1!,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0144 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 1.05 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 11 SER OG : rot 14:sc= 0.529 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.37) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.23 K(o=-3.2,f=-1.2) USER MOD Single : A 24 THR OG1 : rot -28:sc= -0.104! USER MOD Single : A 30 MET CE :methyl -121:sc= -2.81! (180deg=-4.11!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= -0.046 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -141:sc= -1.4 (180deg=-3.77!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.000621 X(o=-0.00062,f=0) USER MOD Single : A 62 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.484 -18.284 12.100 1.00 0.00 N ATOM 2 CA GLY A 1 -27.125 -17.779 10.788 1.00 0.00 C ATOM 3 C GLY A 1 -25.662 -17.391 10.697 1.00 0.00 C ATOM 4 O GLY A 1 -24.802 -18.044 11.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.173 -19.057 11.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.633 -18.640 12.580 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.904 -17.518 12.664 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.344 -18.538 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.743 -16.912 10.554 1.00 0.00 H new ATOM 8 N SER A 2 -25.380 -16.325 9.955 1.00 0.00 N ATOM 9 CA SER A 2 -24.010 -15.854 9.784 1.00 0.00 C ATOM 10 C SER A 2 -23.798 -14.527 10.507 1.00 0.00 C ATOM 11 O SER A 2 -24.388 -13.509 10.145 1.00 0.00 O ATOM 12 CB SER A 2 -23.685 -15.695 8.297 1.00 0.00 C ATOM 13 OG SER A 2 -22.284 -15.679 8.081 1.00 0.00 O ATOM 0 H SER A 2 -26.081 -15.771 9.463 1.00 0.00 H new ATOM 0 HA SER A 2 -23.340 -16.596 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.134 -16.513 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.125 -14.771 7.922 1.00 0.00 H new ATOM 0 HG SER A 2 -22.102 -15.578 7.123 1.00 0.00 H new ATOM 19 N SER A 3 -22.951 -14.548 11.531 1.00 0.00 N ATOM 20 CA SER A 3 -22.663 -13.348 12.309 1.00 0.00 C ATOM 21 C SER A 3 -21.382 -12.679 11.820 1.00 0.00 C ATOM 22 O SER A 3 -20.636 -13.247 11.024 1.00 0.00 O ATOM 23 CB SER A 3 -22.536 -13.696 13.793 1.00 0.00 C ATOM 24 OG SER A 3 -21.347 -14.424 14.047 1.00 0.00 O ATOM 0 H SER A 3 -22.452 -15.382 11.841 1.00 0.00 H new ATOM 0 HA SER A 3 -23.490 -12.651 12.176 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.539 -12.781 14.386 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.399 -14.283 14.107 1.00 0.00 H new ATOM 0 HG SER A 3 -21.289 -14.632 15.003 1.00 0.00 H new ATOM 30 N GLY A 4 -21.134 -11.466 12.304 1.00 0.00 N ATOM 31 CA GLY A 4 -19.944 -10.737 11.907 1.00 0.00 C ATOM 32 C GLY A 4 -18.668 -11.419 12.361 1.00 0.00 C ATOM 33 O GLY A 4 -18.312 -11.364 13.538 1.00 0.00 O ATOM 0 H GLY A 4 -21.737 -10.975 12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.930 -10.633 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.982 -9.730 12.323 1.00 0.00 H new ATOM 37 N SER A 5 -17.979 -12.064 11.426 1.00 0.00 N ATOM 38 CA SER A 5 -16.738 -12.765 11.737 1.00 0.00 C ATOM 39 C SER A 5 -15.527 -11.914 11.368 1.00 0.00 C ATOM 40 O SER A 5 -15.209 -11.743 10.191 1.00 0.00 O ATOM 41 CB SER A 5 -16.682 -14.101 10.995 1.00 0.00 C ATOM 42 OG SER A 5 -16.558 -13.903 9.597 1.00 0.00 O ATOM 0 H SER A 5 -18.259 -12.116 10.446 1.00 0.00 H new ATOM 0 HA SER A 5 -16.715 -12.953 12.810 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.838 -14.687 11.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.584 -14.676 11.206 1.00 0.00 H new ATOM 0 HG SER A 5 -16.222 -12.999 9.423 1.00 0.00 H new ATOM 48 N SER A 6 -14.854 -11.381 12.384 1.00 0.00 N ATOM 49 CA SER A 6 -13.679 -10.545 12.167 1.00 0.00 C ATOM 50 C SER A 6 -12.862 -11.051 10.983 1.00 0.00 C ATOM 51 O SER A 6 -12.518 -12.230 10.910 1.00 0.00 O ATOM 52 CB SER A 6 -12.810 -10.515 13.426 1.00 0.00 C ATOM 53 OG SER A 6 -13.491 -9.895 14.502 1.00 0.00 O ATOM 0 H SER A 6 -15.102 -11.513 13.364 1.00 0.00 H new ATOM 0 HA SER A 6 -14.019 -9.534 11.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.533 -11.532 13.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.884 -9.978 13.220 1.00 0.00 H new ATOM 0 HG SER A 6 -12.915 -9.890 15.295 1.00 0.00 H new ATOM 59 N GLY A 7 -12.556 -10.149 10.055 1.00 0.00 N ATOM 60 CA GLY A 7 -11.782 -10.522 8.885 1.00 0.00 C ATOM 61 C GLY A 7 -11.369 -9.322 8.056 1.00 0.00 C ATOM 62 O GLY A 7 -10.249 -9.266 7.549 1.00 0.00 O ATOM 0 H GLY A 7 -12.830 -9.167 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.891 -11.066 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.368 -11.202 8.267 1.00 0.00 H new ATOM 66 N GLN A 8 -12.275 -8.360 7.918 1.00 0.00 N ATOM 67 CA GLN A 8 -11.999 -7.156 7.143 1.00 0.00 C ATOM 68 C GLN A 8 -11.534 -6.020 8.048 1.00 0.00 C ATOM 69 O GLN A 8 -12.295 -5.525 8.880 1.00 0.00 O ATOM 70 CB GLN A 8 -13.245 -6.727 6.366 1.00 0.00 C ATOM 71 CG GLN A 8 -13.469 -7.522 5.089 1.00 0.00 C ATOM 72 CD GLN A 8 -14.888 -7.402 4.569 1.00 0.00 C ATOM 73 OE1 GLN A 8 -15.846 -7.763 5.254 1.00 0.00 O ATOM 74 NE2 GLN A 8 -15.031 -6.893 3.351 1.00 0.00 N ATOM 0 H GLN A 8 -13.206 -8.391 8.333 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.200 -7.384 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.119 -6.834 7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.161 -5.669 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.775 -7.176 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.241 -8.572 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.210 -6.607 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.962 -6.788 2.948 1.00 0.00 H new ATOM 83 N LEU A 9 -10.281 -5.612 7.880 1.00 0.00 N ATOM 84 CA LEU A 9 -9.714 -4.534 8.683 1.00 0.00 C ATOM 85 C LEU A 9 -10.389 -3.204 8.364 1.00 0.00 C ATOM 86 O LEU A 9 -10.913 -2.993 7.270 1.00 0.00 O ATOM 87 CB LEU A 9 -8.208 -4.427 8.436 1.00 0.00 C ATOM 88 CG LEU A 9 -7.354 -5.569 8.989 1.00 0.00 C ATOM 89 CD1 LEU A 9 -6.023 -5.642 8.257 1.00 0.00 C ATOM 90 CD2 LEU A 9 -7.134 -5.395 10.484 1.00 0.00 C ATOM 0 H LEU A 9 -9.639 -6.011 7.195 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.889 -4.766 9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.040 -4.362 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.854 -3.492 8.871 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.886 -6.506 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.429 -6.460 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.201 -5.815 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.485 -4.703 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.524 -6.217 10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.623 -4.450 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.096 -5.394 10.996 1.00 0.00 H new ATOM 102 N PRO A 10 -10.375 -2.284 9.339 1.00 0.00 N ATOM 103 CA PRO A 10 -10.980 -0.958 9.185 1.00 0.00 C ATOM 104 C PRO A 10 -10.205 -0.078 8.210 1.00 0.00 C ATOM 105 O PRO A 10 -8.987 0.060 8.317 1.00 0.00 O ATOM 106 CB PRO A 10 -10.918 -0.373 10.598 1.00 0.00 C ATOM 107 CG PRO A 10 -9.782 -1.082 11.252 1.00 0.00 C ATOM 108 CD PRO A 10 -9.768 -2.468 10.668 1.00 0.00 C ATOM 0 HA PRO A 10 -11.989 -1.015 8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.751 0.704 10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.851 -0.539 11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.840 -0.569 11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.913 -1.115 12.334 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.755 -2.863 10.596 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.340 -3.167 11.278 1.00 0.00 H new ATOM 116 N SER A 11 -10.920 0.517 7.260 1.00 0.00 N ATOM 117 CA SER A 11 -10.299 1.381 6.264 1.00 0.00 C ATOM 118 C SER A 11 -10.594 2.849 6.558 1.00 0.00 C ATOM 119 O SER A 11 -11.753 3.265 6.598 1.00 0.00 O ATOM 120 CB SER A 11 -10.796 1.020 4.863 1.00 0.00 C ATOM 121 OG SER A 11 -12.136 1.442 4.672 1.00 0.00 O ATOM 0 H SER A 11 -11.930 0.416 7.160 1.00 0.00 H new ATOM 0 HA SER A 11 -9.221 1.229 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.155 1.486 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.726 -0.058 4.716 1.00 0.00 H new ATOM 0 HG SER A 11 -12.390 2.059 5.389 1.00 0.00 H new ATOM 127 N TYR A 12 -9.539 3.628 6.764 1.00 0.00 N ATOM 128 CA TYR A 12 -9.683 5.049 7.057 1.00 0.00 C ATOM 129 C TYR A 12 -8.507 5.844 6.498 1.00 0.00 C ATOM 130 O TYR A 12 -7.429 5.297 6.266 1.00 0.00 O ATOM 131 CB TYR A 12 -9.791 5.271 8.567 1.00 0.00 C ATOM 132 CG TYR A 12 -8.456 5.474 9.246 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.888 6.738 9.342 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.762 4.401 9.791 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.667 6.928 9.961 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.542 4.581 10.413 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.998 5.846 10.495 1.00 0.00 C ATOM 138 OH TYR A 12 -4.783 6.030 11.113 1.00 0.00 O ATOM 0 H TYR A 12 -8.574 3.300 6.734 1.00 0.00 H new ATOM 0 HA TYR A 12 -10.596 5.401 6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.420 6.141 8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.291 4.414 9.017 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.410 7.587 8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.184 3.409 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.239 7.917 10.026 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.017 3.736 10.833 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.446 5.168 11.435 1.00 0.00 H new ATOM 148 N ARG A 13 -8.723 7.137 6.284 1.00 0.00 N ATOM 149 CA ARG A 13 -7.683 8.008 5.752 1.00 0.00 C ATOM 150 C ARG A 13 -6.915 8.691 6.880 1.00 0.00 C ATOM 151 O ARG A 13 -7.511 9.240 7.807 1.00 0.00 O ATOM 152 CB ARG A 13 -8.294 9.062 4.826 1.00 0.00 C ATOM 153 CG ARG A 13 -8.837 8.489 3.527 1.00 0.00 C ATOM 154 CD ARG A 13 -10.299 8.095 3.660 1.00 0.00 C ATOM 155 NE ARG A 13 -11.167 9.258 3.827 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.493 9.188 3.847 1.00 0.00 C ATOM 157 NH1 ARG A 13 -13.101 8.018 3.711 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.214 10.291 4.003 1.00 0.00 N ATOM 0 H ARG A 13 -9.610 7.605 6.471 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.987 7.393 5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.100 9.573 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.538 9.812 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.728 9.225 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.249 7.618 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.606 7.538 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.418 7.428 4.514 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.731 10.174 3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.550 7.168 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.120 7.968 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.750 11.193 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.232 10.237 4.018 1.00 0.00 H new ATOM 172 N PHE A 14 -5.590 8.653 6.794 1.00 0.00 N ATOM 173 CA PHE A 14 -4.740 9.266 7.809 1.00 0.00 C ATOM 174 C PHE A 14 -5.066 10.749 7.967 1.00 0.00 C ATOM 175 O PHE A 14 -5.280 11.456 6.983 1.00 0.00 O ATOM 176 CB PHE A 14 -3.265 9.093 7.442 1.00 0.00 C ATOM 177 CG PHE A 14 -2.363 10.105 8.089 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.410 11.437 7.709 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.469 9.724 9.076 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.582 12.371 8.303 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.639 10.654 9.674 1.00 0.00 C ATOM 182 CZ PHE A 14 -0.694 11.978 9.286 1.00 0.00 C ATOM 0 H PHE A 14 -5.081 8.204 6.032 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.932 8.766 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.942 8.093 7.731 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.158 9.162 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.101 11.749 6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.420 8.689 9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.629 13.406 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.052 10.345 10.444 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.044 12.705 9.750 1.00 0.00 H new ATOM 192 N ASN A 15 -5.102 11.211 9.212 1.00 0.00 N ATOM 193 CA ASN A 15 -5.402 12.609 9.501 1.00 0.00 C ATOM 194 C ASN A 15 -4.154 13.347 9.973 1.00 0.00 C ATOM 195 O ASN A 15 -3.608 13.074 11.042 1.00 0.00 O ATOM 196 CB ASN A 15 -6.499 12.707 10.563 1.00 0.00 C ATOM 197 CG ASN A 15 -7.739 11.918 10.188 1.00 0.00 C ATOM 198 OD1 ASN A 15 -7.871 10.746 10.538 1.00 0.00 O ATOM 199 ND2 ASN A 15 -8.655 12.561 9.473 1.00 0.00 N ATOM 0 H ASN A 15 -4.927 10.638 10.038 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.753 13.077 8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.113 12.342 11.515 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.768 13.753 10.709 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.511 12.082 9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.503 13.533 9.205 1.00 0.00 H new ATOM 206 N PRO A 16 -3.690 14.307 9.158 1.00 0.00 N ATOM 207 CA PRO A 16 -2.502 15.106 9.471 1.00 0.00 C ATOM 208 C PRO A 16 -2.740 16.068 10.630 1.00 0.00 C ATOM 209 O PRO A 16 -1.858 16.844 10.995 1.00 0.00 O ATOM 210 CB PRO A 16 -2.244 15.881 8.177 1.00 0.00 C ATOM 211 CG PRO A 16 -3.574 15.958 7.510 1.00 0.00 C ATOM 212 CD PRO A 16 -4.291 14.686 7.868 1.00 0.00 C ATOM 0 HA PRO A 16 -1.664 14.484 9.785 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.846 16.875 8.383 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.515 15.370 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.132 16.830 7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.464 16.053 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.366 14.842 7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.142 13.914 7.113 1.00 0.00 H new ATOM 220 N ASN A 17 -3.937 16.011 11.204 1.00 0.00 N ATOM 221 CA ASN A 17 -4.290 16.879 12.322 1.00 0.00 C ATOM 222 C ASN A 17 -4.558 16.061 13.582 1.00 0.00 C ATOM 223 O ASN A 17 -3.900 16.244 14.605 1.00 0.00 O ATOM 224 CB ASN A 17 -5.521 17.718 11.974 1.00 0.00 C ATOM 225 CG ASN A 17 -6.072 18.463 13.175 1.00 0.00 C ATOM 226 OD1 ASN A 17 -5.317 18.936 14.025 1.00 0.00 O ATOM 227 ND2 ASN A 17 -7.393 18.569 13.250 1.00 0.00 N ATOM 0 H ASN A 17 -4.679 15.374 10.914 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.448 17.544 12.514 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.261 18.434 11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.296 17.069 11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.822 19.058 14.036 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.980 18.161 12.522 1.00 0.00 H new ATOM 234 N ASN A 18 -5.530 15.158 13.499 1.00 0.00 N ATOM 235 CA ASN A 18 -5.886 14.311 14.632 1.00 0.00 C ATOM 236 C ASN A 18 -4.669 13.545 15.142 1.00 0.00 C ATOM 237 O ASN A 18 -4.341 13.598 16.327 1.00 0.00 O ATOM 238 CB ASN A 18 -6.991 13.330 14.235 1.00 0.00 C ATOM 239 CG ASN A 18 -8.332 14.014 14.049 1.00 0.00 C ATOM 240 OD1 ASN A 18 -8.673 14.446 12.948 1.00 0.00 O ATOM 241 ND2 ASN A 18 -9.099 14.115 15.129 1.00 0.00 N ATOM 0 H ASN A 18 -6.085 14.994 12.659 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.251 14.953 15.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.711 12.827 13.309 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.082 12.560 15.001 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.012 14.565 15.066 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.775 13.742 16.021 1.00 0.00 H new ATOM 248 N HIS A 19 -4.003 12.834 14.238 1.00 0.00 N ATOM 249 CA HIS A 19 -2.821 12.057 14.595 1.00 0.00 C ATOM 250 C HIS A 19 -1.985 12.791 15.640 1.00 0.00 C ATOM 251 O HIS A 19 -1.399 13.836 15.357 1.00 0.00 O ATOM 252 CB HIS A 19 -1.975 11.776 13.353 1.00 0.00 C ATOM 253 CG HIS A 19 -2.423 10.573 12.583 1.00 0.00 C ATOM 254 ND1 HIS A 19 -3.703 10.429 12.090 1.00 0.00 N ATOM 255 CD2 HIS A 19 -1.754 9.454 12.220 1.00 0.00 C ATOM 256 CE1 HIS A 19 -3.801 9.272 11.458 1.00 0.00 C ATOM 257 NE2 HIS A 19 -2.632 8.661 11.523 1.00 0.00 N ATOM 0 H HIS A 19 -4.261 12.780 13.253 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.153 11.110 15.020 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.004 12.647 12.699 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.937 11.638 13.654 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.721 9.227 12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.687 8.891 10.971 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.416 7.749 11.121 1.00 0.00 H new ATOM 266 N GLN A 20 -1.935 12.236 16.846 1.00 0.00 N ATOM 267 CA GLN A 20 -1.171 12.839 17.933 1.00 0.00 C ATOM 268 C GLN A 20 0.324 12.613 17.738 1.00 0.00 C ATOM 269 O GLN A 20 1.094 13.565 17.608 1.00 0.00 O ATOM 270 CB GLN A 20 -1.615 12.262 19.278 1.00 0.00 C ATOM 271 CG GLN A 20 -0.786 12.752 20.454 1.00 0.00 C ATOM 272 CD GLN A 20 -0.896 11.846 21.664 1.00 0.00 C ATOM 273 OE1 GLN A 20 -0.398 10.720 21.658 1.00 0.00 O ATOM 274 NE2 GLN A 20 -1.551 12.333 22.711 1.00 0.00 N ATOM 0 H GLN A 20 -2.414 11.371 17.096 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.362 13.912 17.926 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.660 12.521 19.448 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.560 11.174 19.233 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.259 12.823 20.152 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.108 13.757 20.727 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.948 13.272 22.673 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.657 11.768 23.554 1.00 0.00 H new ATOM 283 N SER A 21 0.729 11.347 17.719 1.00 0.00 N ATOM 284 CA SER A 21 2.133 10.996 17.544 1.00 0.00 C ATOM 285 C SER A 21 2.562 11.177 16.091 1.00 0.00 C ATOM 286 O SER A 21 1.726 11.336 15.202 1.00 0.00 O ATOM 287 CB SER A 21 2.379 9.552 17.984 1.00 0.00 C ATOM 288 OG SER A 21 1.592 8.648 17.228 1.00 0.00 O ATOM 0 H SER A 21 0.104 10.547 17.823 1.00 0.00 H new ATOM 0 HA SER A 21 2.728 11.664 18.166 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.435 9.307 17.866 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.144 9.446 19.043 1.00 0.00 H new ATOM 0 HG SER A 21 1.768 7.732 17.527 1.00 0.00 H new ATOM 294 N GLU A 22 3.870 11.151 15.858 1.00 0.00 N ATOM 295 CA GLU A 22 4.410 11.312 14.513 1.00 0.00 C ATOM 296 C GLU A 22 5.236 10.095 14.109 1.00 0.00 C ATOM 297 O GLU A 22 5.814 10.058 13.023 1.00 0.00 O ATOM 298 CB GLU A 22 5.270 12.575 14.433 1.00 0.00 C ATOM 299 CG GLU A 22 6.605 12.448 15.146 1.00 0.00 C ATOM 300 CD GLU A 22 7.115 13.777 15.671 1.00 0.00 C ATOM 301 OE1 GLU A 22 6.715 14.167 16.788 1.00 0.00 O ATOM 302 OE2 GLU A 22 7.914 14.426 14.964 1.00 0.00 O ATOM 0 H GLU A 22 4.576 11.020 16.583 1.00 0.00 H new ATOM 0 HA GLU A 22 3.572 11.407 13.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.449 12.817 13.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.716 13.410 14.863 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.504 11.748 15.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.340 12.026 14.461 1.00 0.00 H new ATOM 309 N GLN A 23 5.286 9.101 14.990 1.00 0.00 N ATOM 310 CA GLN A 23 6.042 7.883 14.726 1.00 0.00 C ATOM 311 C GLN A 23 5.342 7.024 13.678 1.00 0.00 C ATOM 312 O GLN A 23 5.908 6.053 13.175 1.00 0.00 O ATOM 313 CB GLN A 23 6.229 7.083 16.016 1.00 0.00 C ATOM 314 CG GLN A 23 5.067 6.155 16.331 1.00 0.00 C ATOM 315 CD GLN A 23 5.271 4.757 15.782 1.00 0.00 C ATOM 316 OE1 GLN A 23 6.080 3.986 16.301 1.00 0.00 O ATOM 317 NE2 GLN A 23 4.537 4.421 14.728 1.00 0.00 N ATOM 0 H GLN A 23 4.812 9.116 15.893 1.00 0.00 H new ATOM 0 HA GLN A 23 7.020 8.170 14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.143 6.494 15.939 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.365 7.776 16.847 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.933 6.101 17.411 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.150 6.574 15.916 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.879 5.091 14.330 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.631 3.493 14.316 1.00 0.00 H new ATOM 326 N THR A 24 4.105 7.388 13.352 1.00 0.00 N ATOM 327 CA THR A 24 3.326 6.650 12.366 1.00 0.00 C ATOM 328 C THR A 24 3.909 6.819 10.967 1.00 0.00 C ATOM 329 O THR A 24 3.678 7.833 10.306 1.00 0.00 O ATOM 330 CB THR A 24 1.855 7.107 12.356 1.00 0.00 C ATOM 331 OG1 THR A 24 1.143 6.443 11.305 1.00 0.00 O ATOM 332 CG2 THR A 24 1.758 8.613 12.168 1.00 0.00 C ATOM 0 H THR A 24 3.622 8.190 13.757 1.00 0.00 H new ATOM 0 HA THR A 24 3.370 5.599 12.650 1.00 0.00 H new ATOM 0 HB THR A 24 1.410 6.847 13.316 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.765 6.214 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.710 8.912 12.164 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.276 9.116 12.985 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.218 8.892 11.220 1.00 0.00 H new ATOM 340 N LEU A 25 4.664 5.822 10.521 1.00 0.00 N ATOM 341 CA LEU A 25 5.280 5.860 9.199 1.00 0.00 C ATOM 342 C LEU A 25 5.279 4.476 8.558 1.00 0.00 C ATOM 343 O LEU A 25 5.377 3.460 9.248 1.00 0.00 O ATOM 344 CB LEU A 25 6.711 6.389 9.297 1.00 0.00 C ATOM 345 CG LEU A 25 7.649 6.003 8.152 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.701 7.081 7.937 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.308 4.661 8.432 1.00 0.00 C ATOM 0 H LEU A 25 4.865 4.977 11.055 1.00 0.00 H new ATOM 0 HA LEU A 25 4.694 6.531 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.672 7.477 9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.145 6.034 10.231 1.00 0.00 H new ATOM 0 HG LEU A 25 7.059 5.912 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.359 6.789 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.211 8.023 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.287 7.204 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.972 4.402 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.884 4.724 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.541 3.893 8.535 1.00 0.00 H new ATOM 359 N CYS A 26 5.171 4.442 7.235 1.00 0.00 N ATOM 360 CA CYS A 26 5.160 3.184 6.499 1.00 0.00 C ATOM 361 C CYS A 26 6.535 2.523 6.531 1.00 0.00 C ATOM 362 O CYS A 26 7.426 2.881 5.760 1.00 0.00 O ATOM 363 CB CYS A 26 4.728 3.419 5.050 1.00 0.00 C ATOM 364 SG CYS A 26 4.478 1.891 4.091 1.00 0.00 S ATOM 0 H CYS A 26 5.090 5.273 6.649 1.00 0.00 H new ATOM 0 HA CYS A 26 4.444 2.517 6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.801 3.993 5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.482 4.029 4.552 1.00 0.00 H new ATOM 369 N VAL A 27 6.700 1.556 7.428 1.00 0.00 N ATOM 370 CA VAL A 27 7.966 0.844 7.560 1.00 0.00 C ATOM 371 C VAL A 27 8.349 0.159 6.254 1.00 0.00 C ATOM 372 O VAL A 27 9.523 -0.121 6.008 1.00 0.00 O ATOM 373 CB VAL A 27 7.902 -0.210 8.681 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.450 -1.553 8.127 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.252 -0.336 9.371 1.00 0.00 C ATOM 0 H VAL A 27 5.973 1.248 8.074 1.00 0.00 H new ATOM 0 HA VAL A 27 8.723 1.587 7.813 1.00 0.00 H new ATOM 0 HB VAL A 27 7.170 0.116 9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.411 -2.285 8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.460 -1.449 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.155 -1.889 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.189 -1.085 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.006 -0.638 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.530 0.625 9.804 1.00 0.00 H new ATOM 385 N VAL A 28 7.352 -0.110 5.418 1.00 0.00 N ATOM 386 CA VAL A 28 7.584 -0.762 4.134 1.00 0.00 C ATOM 387 C VAL A 28 8.425 0.117 3.216 1.00 0.00 C ATOM 388 O VAL A 28 9.556 -0.228 2.872 1.00 0.00 O ATOM 389 CB VAL A 28 6.258 -1.102 3.429 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.517 -1.902 2.161 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.335 -1.862 4.369 1.00 0.00 C ATOM 0 H VAL A 28 6.375 0.113 5.607 1.00 0.00 H new ATOM 0 HA VAL A 28 8.123 -1.686 4.341 1.00 0.00 H new ATOM 0 HB VAL A 28 5.767 -0.170 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.568 -2.133 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.138 -1.317 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.030 -2.830 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.403 -2.094 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.817 -2.788 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.123 -1.249 5.245 1.00 0.00 H new ATOM 401 N CYS A 29 7.866 1.256 2.822 1.00 0.00 N ATOM 402 CA CYS A 29 8.563 2.187 1.942 1.00 0.00 C ATOM 403 C CYS A 29 9.193 3.323 2.743 1.00 0.00 C ATOM 404 O CYS A 29 9.492 4.387 2.201 1.00 0.00 O ATOM 405 CB CYS A 29 7.599 2.757 0.900 1.00 0.00 C ATOM 406 SG CYS A 29 6.301 3.830 1.596 1.00 0.00 S ATOM 0 H CYS A 29 6.931 1.557 3.098 1.00 0.00 H new ATOM 0 HA CYS A 29 9.356 1.641 1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.170 3.325 0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.126 1.931 0.368 1.00 0.00 H new ATOM 411 N MET A 30 9.392 3.089 4.036 1.00 0.00 N ATOM 412 CA MET A 30 9.988 4.092 4.911 1.00 0.00 C ATOM 413 C MET A 30 9.509 5.492 4.539 1.00 0.00 C ATOM 414 O MET A 30 10.253 6.465 4.660 1.00 0.00 O ATOM 415 CB MET A 30 11.515 4.026 4.833 1.00 0.00 C ATOM 416 CG MET A 30 12.096 2.738 5.394 1.00 0.00 C ATOM 417 SD MET A 30 12.537 2.875 7.137 1.00 0.00 S ATOM 418 CE MET A 30 11.052 2.242 7.912 1.00 0.00 C ATOM 0 H MET A 30 9.149 2.214 4.501 1.00 0.00 H new ATOM 0 HA MET A 30 9.674 3.879 5.933 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.823 4.131 3.793 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.936 4.872 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.372 1.933 5.269 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.981 2.463 4.820 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.630 3.004 8.567 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.324 1.981 7.144 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.297 1.355 8.497 1.00 0.00 H new ATOM 428 N CYS A 31 8.264 5.585 4.086 1.00 0.00 N ATOM 429 CA CYS A 31 7.686 6.866 3.695 1.00 0.00 C ATOM 430 C CYS A 31 6.542 7.253 4.627 1.00 0.00 C ATOM 431 O CYS A 31 5.767 6.402 5.061 1.00 0.00 O ATOM 432 CB CYS A 31 7.185 6.804 2.251 1.00 0.00 C ATOM 433 SG CYS A 31 7.052 8.417 1.446 1.00 0.00 S ATOM 0 H CYS A 31 7.635 4.789 3.980 1.00 0.00 H new ATOM 0 HA CYS A 31 8.464 7.626 3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.860 6.175 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.208 6.321 2.237 1.00 0.00 H new ATOM 0 HG CYS A 31 6.623 8.260 0.229 1.00 0.00 H new ATOM 439 N ASP A 32 6.445 8.543 4.930 1.00 0.00 N ATOM 440 CA ASP A 32 5.396 9.044 5.811 1.00 0.00 C ATOM 441 C ASP A 32 4.015 8.682 5.273 1.00 0.00 C ATOM 442 O ASP A 32 3.890 8.111 4.189 1.00 0.00 O ATOM 443 CB ASP A 32 5.515 10.560 5.969 1.00 0.00 C ATOM 444 CG ASP A 32 6.949 11.012 6.160 1.00 0.00 C ATOM 445 OD1 ASP A 32 7.529 10.714 7.226 1.00 0.00 O ATOM 446 OD2 ASP A 32 7.493 11.663 5.244 1.00 0.00 O ATOM 0 H ASP A 32 7.079 9.260 4.579 1.00 0.00 H new ATOM 0 HA ASP A 32 5.520 8.574 6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.098 11.048 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.919 10.881 6.823 1.00 0.00 H new ATOM 451 N PHE A 33 2.981 9.018 6.037 1.00 0.00 N ATOM 452 CA PHE A 33 1.609 8.727 5.638 1.00 0.00 C ATOM 453 C PHE A 33 0.901 9.992 5.164 1.00 0.00 C ATOM 454 O PHE A 33 0.571 10.868 5.963 1.00 0.00 O ATOM 455 CB PHE A 33 0.838 8.103 6.803 1.00 0.00 C ATOM 456 CG PHE A 33 1.361 6.757 7.216 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.418 5.712 6.307 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.796 6.537 8.513 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.899 4.473 6.684 1.00 0.00 C ATOM 460 CE2 PHE A 33 2.279 5.299 8.895 1.00 0.00 C ATOM 461 CZ PHE A 33 2.330 4.266 7.980 1.00 0.00 C ATOM 0 H PHE A 33 3.067 9.492 6.936 1.00 0.00 H new ATOM 0 HA PHE A 33 1.640 8.018 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.879 8.778 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.211 8.006 6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.083 5.868 5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.757 7.341 9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.938 3.667 5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.616 5.140 9.909 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.706 3.298 8.277 1.00 0.00 H new ATOM 471 N GLU A 34 0.671 10.081 3.857 1.00 0.00 N ATOM 472 CA GLU A 34 0.003 11.240 3.276 1.00 0.00 C ATOM 473 C GLU A 34 -1.431 11.354 3.786 1.00 0.00 C ATOM 474 O GLU A 34 -1.912 10.487 4.516 1.00 0.00 O ATOM 475 CB GLU A 34 0.007 11.146 1.749 1.00 0.00 C ATOM 476 CG GLU A 34 1.220 11.792 1.103 1.00 0.00 C ATOM 477 CD GLU A 34 2.389 10.835 0.968 1.00 0.00 C ATOM 478 OE1 GLU A 34 2.502 9.916 1.806 1.00 0.00 O ATOM 479 OE2 GLU A 34 3.189 11.004 0.025 1.00 0.00 O ATOM 0 H GLU A 34 0.937 9.365 3.181 1.00 0.00 H new ATOM 0 HA GLU A 34 0.550 12.133 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.033 10.096 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.895 11.619 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.946 12.166 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.527 12.653 1.696 1.00 0.00 H new ATOM 486 N SER A 35 -2.107 12.429 3.397 1.00 0.00 N ATOM 487 CA SER A 35 -3.484 12.660 3.817 1.00 0.00 C ATOM 488 C SER A 35 -4.466 12.026 2.836 1.00 0.00 C ATOM 489 O SER A 35 -4.080 11.588 1.752 1.00 0.00 O ATOM 490 CB SER A 35 -3.760 14.160 3.935 1.00 0.00 C ATOM 491 OG SER A 35 -2.618 14.853 4.407 1.00 0.00 O ATOM 0 H SER A 35 -1.724 13.155 2.791 1.00 0.00 H new ATOM 0 HA SER A 35 -3.622 12.195 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.054 14.556 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.597 14.327 4.613 1.00 0.00 H new ATOM 0 HG SER A 35 -2.763 15.818 4.322 1.00 0.00 H new ATOM 497 N ARG A 36 -5.736 11.982 3.224 1.00 0.00 N ATOM 498 CA ARG A 36 -6.773 11.401 2.380 1.00 0.00 C ATOM 499 C ARG A 36 -6.220 10.238 1.562 1.00 0.00 C ATOM 500 O ARG A 36 -6.353 10.210 0.339 1.00 0.00 O ATOM 501 CB ARG A 36 -7.356 12.464 1.447 1.00 0.00 C ATOM 502 CG ARG A 36 -6.372 13.566 1.090 1.00 0.00 C ATOM 503 CD ARG A 36 -5.481 13.161 -0.074 1.00 0.00 C ATOM 504 NE ARG A 36 -4.216 13.892 -0.076 1.00 0.00 N ATOM 505 CZ ARG A 36 -3.478 14.081 -1.163 1.00 0.00 C ATOM 506 NH1 ARG A 36 -3.876 13.595 -2.331 1.00 0.00 N ATOM 507 NH2 ARG A 36 -2.339 14.756 -1.085 1.00 0.00 N ATOM 0 H ARG A 36 -6.072 12.342 4.117 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.564 11.023 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.698 11.983 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.232 12.909 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.918 14.474 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.755 13.800 1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.281 12.091 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.006 13.342 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.881 14.278 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.751 13.075 -2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.307 13.742 -3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.029 15.131 -0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.773 14.900 -1.921 1.00 0.00 H new ATOM 521 N GLN A 37 -5.600 9.282 2.245 1.00 0.00 N ATOM 522 CA GLN A 37 -5.026 8.118 1.581 1.00 0.00 C ATOM 523 C GLN A 37 -5.477 6.828 2.257 1.00 0.00 C ATOM 524 O GLN A 37 -5.549 6.750 3.484 1.00 0.00 O ATOM 525 CB GLN A 37 -3.499 8.203 1.585 1.00 0.00 C ATOM 526 CG GLN A 37 -2.941 9.192 0.574 1.00 0.00 C ATOM 527 CD GLN A 37 -2.594 8.540 -0.750 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.319 8.685 -1.735 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.481 7.817 -0.780 1.00 0.00 N ATOM 0 H GLN A 37 -5.482 9.290 3.258 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.379 8.109 0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.162 8.487 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.088 7.215 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.671 9.983 0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.049 9.664 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.910 7.724 0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.196 7.354 -1.643 1.00 0.00 H new ATOM 538 N LEU A 38 -5.780 5.817 1.449 1.00 0.00 N ATOM 539 CA LEU A 38 -6.225 4.529 1.970 1.00 0.00 C ATOM 540 C LEU A 38 -5.062 3.762 2.591 1.00 0.00 C ATOM 541 O LEU A 38 -4.230 3.194 1.882 1.00 0.00 O ATOM 542 CB LEU A 38 -6.861 3.698 0.854 1.00 0.00 C ATOM 543 CG LEU A 38 -7.801 2.579 1.302 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.063 3.159 1.923 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.149 1.672 0.131 1.00 0.00 C ATOM 0 H LEU A 38 -5.726 5.865 0.432 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.968 4.715 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.415 4.370 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.063 3.257 0.257 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.290 1.982 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.720 2.348 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.797 3.765 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.577 3.780 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.819 0.882 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.640 2.255 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.237 1.228 -0.269 1.00 0.00 H new ATOM 557 N LEU A 39 -5.011 3.748 3.918 1.00 0.00 N ATOM 558 CA LEU A 39 -3.952 3.048 4.636 1.00 0.00 C ATOM 559 C LEU A 39 -4.517 1.879 5.437 1.00 0.00 C ATOM 560 O LEU A 39 -5.639 1.943 5.938 1.00 0.00 O ATOM 561 CB LEU A 39 -3.217 4.012 5.568 1.00 0.00 C ATOM 562 CG LEU A 39 -2.990 5.425 5.028 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.598 6.370 6.154 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.925 5.416 3.942 1.00 0.00 C ATOM 0 H LEU A 39 -5.691 4.214 4.519 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.248 2.655 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.780 4.086 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.248 3.579 5.815 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.923 5.781 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.441 7.370 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.394 6.400 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.678 6.018 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.777 6.430 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.988 5.040 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.246 4.772 3.123 1.00 0.00 H new ATOM 576 N ARG A 40 -3.730 0.815 5.556 1.00 0.00 N ATOM 577 CA ARG A 40 -4.152 -0.368 6.298 1.00 0.00 C ATOM 578 C ARG A 40 -3.457 -0.434 7.655 1.00 0.00 C ATOM 579 O ARG A 40 -2.229 -0.451 7.736 1.00 0.00 O ATOM 580 CB ARG A 40 -3.848 -1.634 5.496 1.00 0.00 C ATOM 581 CG ARG A 40 -4.904 -1.962 4.453 1.00 0.00 C ATOM 582 CD ARG A 40 -6.176 -2.494 5.096 1.00 0.00 C ATOM 583 NE ARG A 40 -7.324 -2.397 4.199 1.00 0.00 N ATOM 584 CZ ARG A 40 -7.482 -3.158 3.122 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.569 -4.067 2.809 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.554 -3.010 2.355 1.00 0.00 N ATOM 0 H ARG A 40 -2.797 0.747 5.149 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.227 -0.299 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.884 -1.518 5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.754 -2.475 6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.134 -1.068 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.511 -2.702 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.028 -3.535 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.381 -1.936 6.009 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.044 -1.707 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.743 -4.183 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.693 -4.650 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.258 -2.311 2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.674 -3.595 1.528 1.00 0.00 H new ATOM 600 N VAL A 41 -4.253 -0.471 8.720 1.00 0.00 N ATOM 601 CA VAL A 41 -3.715 -0.536 10.074 1.00 0.00 C ATOM 602 C VAL A 41 -3.640 -1.976 10.567 1.00 0.00 C ATOM 603 O VAL A 41 -4.663 -2.600 10.855 1.00 0.00 O ATOM 604 CB VAL A 41 -4.569 0.288 11.056 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.076 0.096 12.482 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.554 1.759 10.671 1.00 0.00 C ATOM 0 H VAL A 41 -5.272 -0.457 8.671 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.710 -0.116 10.036 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.598 -0.067 11.002 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.691 0.686 13.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.145 -0.958 12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.039 0.423 12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.163 2.326 11.376 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.530 2.131 10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.959 1.876 9.666 1.00 0.00 H new ATOM 616 N LEU A 42 -2.424 -2.501 10.662 1.00 0.00 N ATOM 617 CA LEU A 42 -2.214 -3.869 11.121 1.00 0.00 C ATOM 618 C LEU A 42 -2.862 -4.092 12.484 1.00 0.00 C ATOM 619 O LEU A 42 -3.119 -3.152 13.237 1.00 0.00 O ATOM 620 CB LEU A 42 -0.718 -4.179 11.198 1.00 0.00 C ATOM 621 CG LEU A 42 -0.024 -4.474 9.868 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.444 -4.801 10.093 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.722 -5.616 9.145 1.00 0.00 C ATOM 0 H LEU A 42 -1.567 -1.999 10.427 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.681 -4.542 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.216 -3.333 11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.579 -5.037 11.856 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.085 -3.583 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.922 -5.008 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.937 -3.953 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.527 -5.677 10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.215 -5.813 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.693 -6.512 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.759 -5.343 8.950 1.00 0.00 H new ATOM 635 N PRO A 43 -3.131 -5.364 12.811 1.00 0.00 N ATOM 636 CA PRO A 43 -3.750 -5.740 14.086 1.00 0.00 C ATOM 637 C PRO A 43 -2.811 -5.532 15.269 1.00 0.00 C ATOM 638 O PRO A 43 -3.139 -5.881 16.404 1.00 0.00 O ATOM 639 CB PRO A 43 -4.060 -7.228 13.904 1.00 0.00 C ATOM 640 CG PRO A 43 -3.078 -7.698 12.886 1.00 0.00 C ATOM 641 CD PRO A 43 -2.852 -6.534 11.962 1.00 0.00 C ATOM 0 HA PRO A 43 -4.627 -5.132 14.309 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.950 -7.773 14.842 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.085 -7.380 13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.146 -8.009 13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.463 -8.560 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.832 -6.518 11.578 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.516 -6.571 11.099 1.00 0.00 H new ATOM 649 N CYS A 44 -1.642 -4.961 14.998 1.00 0.00 N ATOM 650 CA CYS A 44 -0.655 -4.706 16.040 1.00 0.00 C ATOM 651 C CYS A 44 -0.509 -3.209 16.296 1.00 0.00 C ATOM 652 O CYS A 44 0.520 -2.751 16.791 1.00 0.00 O ATOM 653 CB CYS A 44 0.698 -5.302 15.648 1.00 0.00 C ATOM 654 SG CYS A 44 1.125 -5.082 13.891 1.00 0.00 S ATOM 0 H CYS A 44 -1.355 -4.666 14.065 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.001 -5.182 16.958 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.476 -4.845 16.260 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.695 -6.367 15.880 1.00 0.00 H new ATOM 659 N ASN A 45 -1.546 -2.451 15.954 1.00 0.00 N ATOM 660 CA ASN A 45 -1.533 -1.006 16.146 1.00 0.00 C ATOM 661 C ASN A 45 -0.443 -0.354 15.300 1.00 0.00 C ATOM 662 O ASN A 45 0.339 0.458 15.795 1.00 0.00 O ATOM 663 CB ASN A 45 -1.319 -0.668 17.622 1.00 0.00 C ATOM 664 CG ASN A 45 -2.470 -1.130 18.494 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.303 -1.994 19.356 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.647 -0.556 18.274 1.00 0.00 N ATOM 0 H ASN A 45 -2.406 -2.814 15.542 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.499 -0.614 15.827 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.396 -1.132 17.968 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.194 0.409 17.731 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.458 -0.827 18.830 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.740 0.156 17.549 1.00 0.00 H new ATOM 673 N HIS A 46 -0.399 -0.716 14.021 1.00 0.00 N ATOM 674 CA HIS A 46 0.595 -0.165 13.106 1.00 0.00 C ATOM 675 C HIS A 46 -0.054 0.261 11.792 1.00 0.00 C ATOM 676 O HIS A 46 -0.900 -0.449 11.249 1.00 0.00 O ATOM 677 CB HIS A 46 1.694 -1.193 12.835 1.00 0.00 C ATOM 678 CG HIS A 46 2.741 -1.246 13.905 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.360 -2.415 14.294 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.278 -0.266 14.668 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.231 -2.151 15.251 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.201 -0.854 15.496 1.00 0.00 N ATOM 0 H HIS A 46 -1.039 -1.387 13.596 1.00 0.00 H new ATOM 0 HA HIS A 46 1.037 0.714 13.575 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.241 -2.179 12.732 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.171 -0.961 11.883 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.027 0.784 14.632 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.861 -2.873 15.749 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.771 -0.368 16.188 1.00 0.00 H new ATOM 690 N GLU A 47 0.347 1.424 11.290 1.00 0.00 N ATOM 691 CA GLU A 47 -0.198 1.944 10.041 1.00 0.00 C ATOM 692 C GLU A 47 0.654 1.509 8.852 1.00 0.00 C ATOM 693 O GLU A 47 1.877 1.406 8.955 1.00 0.00 O ATOM 694 CB GLU A 47 -0.279 3.472 10.091 1.00 0.00 C ATOM 695 CG GLU A 47 -0.906 4.006 11.368 1.00 0.00 C ATOM 696 CD GLU A 47 -1.640 5.315 11.154 1.00 0.00 C ATOM 697 OE1 GLU A 47 -1.798 5.721 9.983 1.00 0.00 O ATOM 698 OE2 GLU A 47 -2.056 5.934 12.156 1.00 0.00 O ATOM 0 H GLU A 47 1.046 2.024 11.728 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.201 1.537 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.725 3.884 9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.857 3.825 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.600 3.265 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.128 4.148 12.118 1.00 0.00 H new ATOM 705 N PHE A 48 0.000 1.253 7.725 1.00 0.00 N ATOM 706 CA PHE A 48 0.696 0.827 6.516 1.00 0.00 C ATOM 707 C PHE A 48 -0.062 1.268 5.268 1.00 0.00 C ATOM 708 O PHE A 48 -1.225 1.666 5.342 1.00 0.00 O ATOM 709 CB PHE A 48 0.868 -0.694 6.511 1.00 0.00 C ATOM 710 CG PHE A 48 1.709 -1.206 7.645 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.088 -1.269 7.528 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.121 -1.625 8.827 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.865 -1.739 8.570 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.893 -2.095 9.873 1.00 0.00 C ATOM 715 CZ PHE A 48 3.267 -2.154 9.743 1.00 0.00 C ATOM 0 H PHE A 48 -1.012 1.333 7.623 1.00 0.00 H new ATOM 0 HA PHE A 48 1.679 1.298 6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.115 -1.163 6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.321 -0.997 5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.561 -0.947 6.612 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.047 -1.584 8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.939 -1.782 8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.422 -2.416 10.791 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.872 -2.524 10.557 1.00 0.00 H new ATOM 725 N HIS A 49 0.606 1.196 4.121 1.00 0.00 N ATOM 726 CA HIS A 49 -0.003 1.588 2.855 1.00 0.00 C ATOM 727 C HIS A 49 -0.756 0.418 2.229 1.00 0.00 C ATOM 728 O HIS A 49 -0.186 -0.648 2.000 1.00 0.00 O ATOM 729 CB HIS A 49 1.065 2.099 1.887 1.00 0.00 C ATOM 730 CG HIS A 49 1.359 3.560 2.037 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.640 4.070 2.071 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.529 4.622 2.161 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.585 5.383 2.210 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.316 5.743 2.267 1.00 0.00 N ATOM 0 H HIS A 49 1.569 0.870 4.042 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.714 2.389 3.055 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.984 1.534 2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.740 1.905 0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.551 4.593 2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.434 6.048 2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.975 6.699 2.373 1.00 0.00 H new ATOM 742 N ALA A 50 -2.040 0.625 1.955 1.00 0.00 N ATOM 743 CA ALA A 50 -2.870 -0.411 1.355 1.00 0.00 C ATOM 744 C ALA A 50 -2.134 -1.115 0.220 1.00 0.00 C ATOM 745 O ALA A 50 -2.378 -2.289 -0.059 1.00 0.00 O ATOM 746 CB ALA A 50 -4.176 0.184 0.850 1.00 0.00 C ATOM 0 H ALA A 50 -2.528 1.502 2.139 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.094 -1.151 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.786 -0.602 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.717 0.634 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.963 0.947 0.101 1.00 0.00 H new ATOM 752 N LYS A 51 -1.233 -0.390 -0.434 1.00 0.00 N ATOM 753 CA LYS A 51 -0.460 -0.944 -1.539 1.00 0.00 C ATOM 754 C LYS A 51 0.787 -1.658 -1.027 1.00 0.00 C ATOM 755 O LYS A 51 1.053 -2.804 -1.391 1.00 0.00 O ATOM 756 CB LYS A 51 -0.061 0.164 -2.516 1.00 0.00 C ATOM 757 CG LYS A 51 0.767 1.267 -1.880 1.00 0.00 C ATOM 758 CD LYS A 51 1.059 2.386 -2.866 1.00 0.00 C ATOM 759 CE LYS A 51 -0.141 3.305 -3.036 1.00 0.00 C ATOM 760 NZ LYS A 51 -1.183 2.702 -3.912 1.00 0.00 N ATOM 0 H LYS A 51 -1.020 0.584 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.085 -1.670 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.504 -0.275 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.963 0.600 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.236 1.670 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.705 0.852 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.915 2.964 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.332 1.960 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.571 3.525 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.186 4.254 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.593 3.438 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.754 1.962 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.932 2.284 -3.324 1.00 0.00 H new ATOM 774 N CYS A 52 1.549 -0.973 -0.180 1.00 0.00 N ATOM 775 CA CYS A 52 2.768 -1.541 0.383 1.00 0.00 C ATOM 776 C CYS A 52 2.461 -2.809 1.175 1.00 0.00 C ATOM 777 O CYS A 52 2.813 -3.914 0.760 1.00 0.00 O ATOM 778 CB CYS A 52 3.463 -0.519 1.285 1.00 0.00 C ATOM 779 SG CYS A 52 3.939 1.020 0.435 1.00 0.00 S ATOM 0 H CYS A 52 1.343 -0.024 0.131 1.00 0.00 H new ATOM 0 HA CYS A 52 3.433 -1.800 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.801 -0.273 2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.355 -0.976 1.713 1.00 0.00 H new ATOM 784 N VAL A 53 1.803 -2.642 2.318 1.00 0.00 N ATOM 785 CA VAL A 53 1.447 -3.772 3.167 1.00 0.00 C ATOM 786 C VAL A 53 1.022 -4.975 2.333 1.00 0.00 C ATOM 787 O VAL A 53 1.352 -6.116 2.657 1.00 0.00 O ATOM 788 CB VAL A 53 0.309 -3.408 4.139 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.041 -3.522 3.448 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.361 -4.293 5.376 1.00 0.00 C ATOM 0 H VAL A 53 1.506 -1.735 2.677 1.00 0.00 H new ATOM 0 HA VAL A 53 2.338 -4.028 3.741 1.00 0.00 H new ATOM 0 HB VAL A 53 0.442 -2.373 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.833 -3.261 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.073 -2.842 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.187 -4.545 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.450 -4.022 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.254 -5.337 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.316 -4.155 5.882 1.00 0.00 H new ATOM 800 N ASP A 54 0.289 -4.712 1.257 1.00 0.00 N ATOM 801 CA ASP A 54 -0.181 -5.773 0.374 1.00 0.00 C ATOM 802 C ASP A 54 0.992 -6.573 -0.186 1.00 0.00 C ATOM 803 O ASP A 54 0.981 -7.804 -0.173 1.00 0.00 O ATOM 804 CB ASP A 54 -1.006 -5.185 -0.772 1.00 0.00 C ATOM 805 CG ASP A 54 -2.472 -5.039 -0.414 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.768 -4.730 0.759 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.323 -5.236 -1.306 1.00 0.00 O ATOM 0 H ASP A 54 0.007 -3.773 0.975 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.811 -6.445 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.602 -4.210 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.911 -5.824 -1.650 1.00 0.00 H new ATOM 812 N LYS A 55 2.002 -5.865 -0.680 1.00 0.00 N ATOM 813 CA LYS A 55 3.183 -6.507 -1.244 1.00 0.00 C ATOM 814 C LYS A 55 3.943 -7.286 -0.175 1.00 0.00 C ATOM 815 O LYS A 55 4.420 -8.393 -0.423 1.00 0.00 O ATOM 816 CB LYS A 55 4.103 -5.462 -1.879 1.00 0.00 C ATOM 817 CG LYS A 55 4.922 -5.998 -3.041 1.00 0.00 C ATOM 818 CD LYS A 55 5.587 -4.875 -3.819 1.00 0.00 C ATOM 819 CE LYS A 55 6.889 -4.438 -3.165 1.00 0.00 C ATOM 820 NZ LYS A 55 7.644 -3.479 -4.019 1.00 0.00 N ATOM 0 H LYS A 55 2.026 -4.846 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 55 2.853 -7.206 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.500 -4.623 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.779 -5.075 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.683 -6.682 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.278 -6.572 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.784 -5.205 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.908 -4.025 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.674 -3.975 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.508 -5.313 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.525 -3.205 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.871 -3.929 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.064 -2.632 -4.187 1.00 0.00 H new ATOM 834 N TRP A 56 4.049 -6.701 1.012 1.00 0.00 N ATOM 835 CA TRP A 56 4.750 -7.342 2.119 1.00 0.00 C ATOM 836 C TRP A 56 4.029 -8.612 2.557 1.00 0.00 C ATOM 837 O TRP A 56 4.560 -9.716 2.425 1.00 0.00 O ATOM 838 CB TRP A 56 4.871 -6.377 3.300 1.00 0.00 C ATOM 839 CG TRP A 56 5.530 -6.987 4.500 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.909 -7.521 5.593 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.937 -7.123 4.729 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.845 -7.981 6.487 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.096 -7.749 5.981 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.077 -6.778 3.998 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.350 -8.036 6.515 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.320 -7.063 4.530 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.449 -7.687 5.778 1.00 0.00 C ATOM 0 H TRP A 56 3.659 -5.785 1.233 1.00 0.00 H new ATOM 0 HA TRP A 56 5.749 -7.613 1.776 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.440 -5.501 2.988 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.877 -6.028 3.578 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.840 -7.574 5.734 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.641 -8.424 7.383 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.988 -6.297 3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.451 -8.517 7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.208 -6.800 3.974 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.435 -7.897 6.166 1.00 0.00 H new ATOM 858 N LEU A 57 2.818 -8.451 3.079 1.00 0.00 N ATOM 859 CA LEU A 57 2.024 -9.586 3.536 1.00 0.00 C ATOM 860 C LEU A 57 2.122 -10.750 2.555 1.00 0.00 C ATOM 861 O LEU A 57 2.077 -11.915 2.950 1.00 0.00 O ATOM 862 CB LEU A 57 0.562 -9.173 3.711 1.00 0.00 C ATOM 863 CG LEU A 57 0.262 -8.247 4.890 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.180 -7.765 4.837 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.541 -8.955 6.208 1.00 0.00 C ATOM 0 H LEU A 57 2.364 -7.545 3.196 1.00 0.00 H new ATOM 0 HA LEU A 57 2.421 -9.912 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.232 -8.681 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.039 -10.076 3.822 1.00 0.00 H new ATOM 0 HG LEU A 57 0.917 -7.378 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.375 -7.107 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.348 -7.220 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.852 -8.622 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.322 -8.281 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.088 -9.842 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.590 -9.250 6.248 1.00 0.00 H new ATOM 877 N LYS A 58 2.259 -10.426 1.273 1.00 0.00 N ATOM 878 CA LYS A 58 2.368 -11.444 0.235 1.00 0.00 C ATOM 879 C LYS A 58 3.647 -12.258 0.402 1.00 0.00 C ATOM 880 O LYS A 58 3.641 -13.479 0.249 1.00 0.00 O ATOM 881 CB LYS A 58 2.342 -10.793 -1.150 1.00 0.00 C ATOM 882 CG LYS A 58 0.945 -10.641 -1.725 1.00 0.00 C ATOM 883 CD LYS A 58 0.970 -10.585 -3.244 1.00 0.00 C ATOM 884 CE LYS A 58 -0.335 -10.040 -3.803 1.00 0.00 C ATOM 885 NZ LYS A 58 -1.465 -10.990 -3.604 1.00 0.00 N ATOM 0 H LYS A 58 2.297 -9.467 0.929 1.00 0.00 H new ATOM 0 HA LYS A 58 1.516 -12.117 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.809 -9.810 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.944 -11.391 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.324 -11.476 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.486 -9.733 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.798 -9.957 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.149 -11.583 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.569 -9.092 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.216 -9.835 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.336 -10.581 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.254 -11.887 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.595 -11.166 -2.587 1.00 0.00 H new ATOM 899 N ALA A 59 4.741 -11.574 0.719 1.00 0.00 N ATOM 900 CA ALA A 59 6.026 -12.234 0.910 1.00 0.00 C ATOM 901 C ALA A 59 6.137 -12.823 2.313 1.00 0.00 C ATOM 902 O ALA A 59 6.548 -13.969 2.484 1.00 0.00 O ATOM 903 CB ALA A 59 7.165 -11.258 0.654 1.00 0.00 C ATOM 0 H ALA A 59 4.763 -10.563 0.849 1.00 0.00 H new ATOM 0 HA ALA A 59 6.096 -13.052 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.119 -11.765 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.104 -10.888 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.089 -10.420 1.347 1.00 0.00 H new ATOM 909 N ASN A 60 5.769 -12.029 3.313 1.00 0.00 N ATOM 910 CA ASN A 60 5.829 -12.472 4.702 1.00 0.00 C ATOM 911 C ASN A 60 4.511 -12.193 5.418 1.00 0.00 C ATOM 912 O ASN A 60 4.049 -11.054 5.469 1.00 0.00 O ATOM 913 CB ASN A 60 6.977 -11.773 5.432 1.00 0.00 C ATOM 914 CG ASN A 60 8.331 -12.112 4.839 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.763 -13.264 4.869 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.007 -11.107 4.296 1.00 0.00 N ATOM 0 H ASN A 60 5.426 -11.076 3.188 1.00 0.00 H new ATOM 0 HA ASN A 60 6.005 -13.548 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.826 -10.694 5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.962 -12.058 6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.924 -11.274 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.610 -10.168 4.294 1.00 0.00 H new ATOM 923 N ARG A 61 3.912 -13.243 5.972 1.00 0.00 N ATOM 924 CA ARG A 61 2.647 -13.112 6.685 1.00 0.00 C ATOM 925 C ARG A 61 2.870 -12.558 8.089 1.00 0.00 C ATOM 926 O ARG A 61 2.340 -13.084 9.068 1.00 0.00 O ATOM 927 CB ARG A 61 1.940 -14.466 6.766 1.00 0.00 C ATOM 928 CG ARG A 61 1.721 -15.121 5.412 1.00 0.00 C ATOM 929 CD ARG A 61 0.713 -16.256 5.499 1.00 0.00 C ATOM 930 NE ARG A 61 1.273 -17.436 6.153 1.00 0.00 N ATOM 931 CZ ARG A 61 1.998 -18.352 5.520 1.00 0.00 C ATOM 932 NH1 ARG A 61 2.250 -18.225 4.225 1.00 0.00 N ATOM 933 NH2 ARG A 61 2.473 -19.398 6.185 1.00 0.00 N ATOM 0 H ARG A 61 4.282 -14.193 5.941 1.00 0.00 H new ATOM 0 HA ARG A 61 2.018 -12.414 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.528 -15.136 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.976 -14.334 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.370 -14.375 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.669 -15.503 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.166 -15.919 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.379 -16.522 4.496 1.00 0.00 H new ATOM 0 HE ARG A 61 1.098 -17.564 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.887 -17.422 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.807 -18.930 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.281 -19.498 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.030 -20.101 5.699 1.00 0.00 H new ATOM 947 N THR A 62 3.659 -11.492 8.181 1.00 0.00 N ATOM 948 CA THR A 62 3.954 -10.867 9.465 1.00 0.00 C ATOM 949 C THR A 62 4.125 -9.360 9.316 1.00 0.00 C ATOM 950 O THR A 62 4.123 -8.831 8.204 1.00 0.00 O ATOM 951 CB THR A 62 5.228 -11.457 10.097 1.00 0.00 C ATOM 952 OG1 THR A 62 6.363 -11.167 9.273 1.00 0.00 O ATOM 953 CG2 THR A 62 5.097 -12.962 10.276 1.00 0.00 C ATOM 0 H THR A 62 4.105 -11.043 7.381 1.00 0.00 H new ATOM 0 HA THR A 62 3.106 -11.071 10.118 1.00 0.00 H new ATOM 0 HB THR A 62 5.365 -11.001 11.078 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.138 -11.674 9.593 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.009 -13.356 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.250 -13.179 10.927 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.938 -13.431 9.305 1.00 0.00 H new ATOM 961 N CYS A 63 4.274 -8.672 10.443 1.00 0.00 N ATOM 962 CA CYS A 63 4.447 -7.224 10.439 1.00 0.00 C ATOM 963 C CYS A 63 5.917 -6.853 10.273 1.00 0.00 C ATOM 964 O CYS A 63 6.782 -7.283 11.037 1.00 0.00 O ATOM 965 CB CYS A 63 3.900 -6.621 11.734 1.00 0.00 C ATOM 966 SG CYS A 63 4.159 -4.824 11.885 1.00 0.00 S ATOM 0 H CYS A 63 4.278 -9.094 11.371 1.00 0.00 H new ATOM 0 HA CYS A 63 3.891 -6.818 9.594 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.832 -6.830 11.797 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.372 -7.118 12.581 1.00 0.00 H new ATOM 971 N PRO A 64 6.209 -6.034 9.252 1.00 0.00 N ATOM 972 CA PRO A 64 7.574 -5.586 8.962 1.00 0.00 C ATOM 973 C PRO A 64 8.103 -4.618 10.015 1.00 0.00 C ATOM 974 O PRO A 64 9.162 -4.015 9.842 1.00 0.00 O ATOM 975 CB PRO A 64 7.436 -4.881 7.610 1.00 0.00 C ATOM 976 CG PRO A 64 6.014 -4.440 7.556 1.00 0.00 C ATOM 977 CD PRO A 64 5.229 -5.483 8.301 1.00 0.00 C ATOM 0 HA PRO A 64 8.282 -6.415 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.117 -4.033 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.673 -5.554 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.892 -3.459 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.670 -4.355 6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.371 -5.049 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.844 -6.251 7.630 1.00 0.00 H new ATOM 985 N ILE A 65 7.359 -4.476 11.107 1.00 0.00 N ATOM 986 CA ILE A 65 7.755 -3.583 12.189 1.00 0.00 C ATOM 987 C ILE A 65 8.017 -4.360 13.475 1.00 0.00 C ATOM 988 O ILE A 65 9.132 -4.358 13.997 1.00 0.00 O ATOM 989 CB ILE A 65 6.679 -2.515 12.459 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.381 -1.725 11.183 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.127 -1.581 13.574 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.502 -0.516 11.411 1.00 0.00 C ATOM 0 H ILE A 65 6.479 -4.968 11.266 1.00 0.00 H new ATOM 0 HA ILE A 65 8.674 -3.090 11.871 1.00 0.00 H new ATOM 0 HB ILE A 65 5.764 -3.015 12.776 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.322 -1.401 10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.898 -2.384 10.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.356 -0.832 13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.293 -2.156 14.485 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.053 -1.086 13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.333 -0.005 10.463 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.546 -0.834 11.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.992 0.164 12.107 1.00 0.00 H new ATOM 1004 N CYS A 66 6.984 -5.025 13.979 1.00 0.00 N ATOM 1005 CA CYS A 66 7.102 -5.808 15.203 1.00 0.00 C ATOM 1006 C CYS A 66 7.030 -7.303 14.902 1.00 0.00 C ATOM 1007 O CYS A 66 6.694 -8.106 15.772 1.00 0.00 O ATOM 1008 CB CYS A 66 5.997 -5.422 16.189 1.00 0.00 C ATOM 1009 SG CYS A 66 4.311 -5.753 15.584 1.00 0.00 S ATOM 0 H CYS A 66 6.055 -5.038 13.559 1.00 0.00 H new ATOM 0 HA CYS A 66 8.072 -5.591 15.651 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.150 -5.966 17.121 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.086 -4.361 16.421 1.00 0.00 H new ATOM 1014 N ARG A 67 7.348 -7.667 13.664 1.00 0.00 N ATOM 1015 CA ARG A 67 7.318 -9.063 13.247 1.00 0.00 C ATOM 1016 C ARG A 67 6.168 -9.807 13.918 1.00 0.00 C ATOM 1017 O ARG A 67 6.251 -11.011 14.162 1.00 0.00 O ATOM 1018 CB ARG A 67 8.646 -9.746 13.583 1.00 0.00 C ATOM 1019 CG ARG A 67 9.677 -9.652 12.471 1.00 0.00 C ATOM 1020 CD ARG A 67 9.421 -10.687 11.385 1.00 0.00 C ATOM 1021 NE ARG A 67 9.992 -10.286 10.102 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.280 -10.403 9.801 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.128 -10.908 10.687 1.00 0.00 N ATOM 1024 NH2 ARG A 67 11.723 -10.016 8.612 1.00 0.00 N ATOM 0 H ARG A 67 7.629 -7.014 12.933 1.00 0.00 H new ATOM 0 HA ARG A 67 7.165 -9.090 12.168 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.057 -9.297 14.487 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.459 -10.796 13.805 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.654 -8.653 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.675 -9.797 12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.847 -11.644 11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.347 -10.837 11.273 1.00 0.00 H new ATOM 0 HE ARG A 67 9.367 -9.894 9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.791 -11.208 11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.117 -10.997 10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.074 -9.628 7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.713 -10.106 8.382 1.00 0.00 H new ATOM 1038 N ALA A 68 5.095 -9.082 14.216 1.00 0.00 N ATOM 1039 CA ALA A 68 3.927 -9.673 14.858 1.00 0.00 C ATOM 1040 C ALA A 68 2.968 -10.254 13.824 1.00 0.00 C ATOM 1041 O ALA A 68 2.506 -9.550 12.926 1.00 0.00 O ATOM 1042 CB ALA A 68 3.216 -8.637 15.716 1.00 0.00 C ATOM 0 H ALA A 68 5.010 -8.084 14.023 1.00 0.00 H new ATOM 0 HA ALA A 68 4.267 -10.487 15.498 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.346 -9.092 16.189 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.897 -8.271 16.484 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.895 -7.805 15.090 1.00 0.00 H new ATOM 1048 N ASP A 69 2.673 -11.543 13.957 1.00 0.00 N ATOM 1049 CA ASP A 69 1.769 -12.219 13.034 1.00 0.00 C ATOM 1050 C ASP A 69 0.496 -11.405 12.826 1.00 0.00 C ATOM 1051 O ASP A 69 -0.087 -10.890 13.780 1.00 0.00 O ATOM 1052 CB ASP A 69 1.417 -13.612 13.560 1.00 0.00 C ATOM 1053 CG ASP A 69 0.679 -14.449 12.534 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.047 -13.860 11.633 1.00 0.00 O ATOM 1055 OD2 ASP A 69 0.733 -15.693 12.633 1.00 0.00 O ATOM 0 H ASP A 69 3.047 -12.140 14.695 1.00 0.00 H new ATOM 0 HA ASP A 69 2.277 -12.318 12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.331 -14.127 13.855 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.803 -13.515 14.455 1.00 0.00 H new ATOM 1060 N SER A 70 0.072 -11.291 11.571 1.00 0.00 N ATOM 1061 CA SER A 70 -1.129 -10.534 11.237 1.00 0.00 C ATOM 1062 C SER A 70 -2.372 -11.414 11.339 1.00 0.00 C ATOM 1063 O SER A 70 -3.416 -10.978 11.821 1.00 0.00 O ATOM 1064 CB SER A 70 -1.016 -9.955 9.825 1.00 0.00 C ATOM 1065 OG SER A 70 -2.222 -9.320 9.436 1.00 0.00 O ATOM 0 H SER A 70 0.542 -11.713 10.770 1.00 0.00 H new ATOM 0 HA SER A 70 -1.224 -9.716 11.952 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.195 -9.239 9.787 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.777 -10.751 9.120 1.00 0.00 H new ATOM 0 HG SER A 70 -2.123 -8.957 8.531 1.00 0.00 H new ATOM 1071 N GLY A 71 -2.249 -12.656 10.882 1.00 0.00 N ATOM 1072 CA GLY A 71 -3.368 -13.579 10.931 1.00 0.00 C ATOM 1073 C GLY A 71 -3.191 -14.756 9.993 1.00 0.00 C ATOM 1074 O GLY A 71 -3.054 -14.596 8.780 1.00 0.00 O ATOM 0 H GLY A 71 -1.394 -13.040 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.488 -13.946 11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.284 -13.048 10.674 1.00 0.00 H new ATOM 1078 N PRO A 72 -3.190 -15.973 10.558 1.00 0.00 N ATOM 1079 CA PRO A 72 -3.027 -17.205 9.782 1.00 0.00 C ATOM 1080 C PRO A 72 -4.240 -17.505 8.908 1.00 0.00 C ATOM 1081 O PRO A 72 -4.283 -18.521 8.215 1.00 0.00 O ATOM 1082 CB PRO A 72 -2.864 -18.283 10.857 1.00 0.00 C ATOM 1083 CG PRO A 72 -3.550 -17.727 12.057 1.00 0.00 C ATOM 1084 CD PRO A 72 -3.348 -16.238 11.998 1.00 0.00 C ATOM 0 HA PRO A 72 -2.187 -17.142 9.091 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.314 -19.225 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.812 -18.484 11.060 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.611 -17.977 12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.130 -18.142 12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.199 -15.700 12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.468 -15.929 12.563 1.00 0.00 H new ATOM 1092 N SER A 73 -5.225 -16.613 8.945 1.00 0.00 N ATOM 1093 CA SER A 73 -6.441 -16.783 8.159 1.00 0.00 C ATOM 1094 C SER A 73 -6.134 -17.447 6.820 1.00 0.00 C ATOM 1095 O SER A 73 -5.370 -16.917 6.012 1.00 0.00 O ATOM 1096 CB SER A 73 -7.118 -15.431 7.927 1.00 0.00 C ATOM 1097 OG SER A 73 -7.681 -14.930 9.127 1.00 0.00 O ATOM 0 H SER A 73 -5.204 -15.765 9.511 1.00 0.00 H new ATOM 0 HA SER A 73 -7.118 -17.429 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.391 -14.719 7.538 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.897 -15.536 7.172 1.00 0.00 H new ATOM 0 HG SER A 73 -8.106 -14.064 8.952 1.00 0.00 H new ATOM 1103 N SER A 74 -6.734 -18.611 6.592 1.00 0.00 N ATOM 1104 CA SER A 74 -6.522 -19.350 5.353 1.00 0.00 C ATOM 1105 C SER A 74 -6.982 -18.535 4.148 1.00 0.00 C ATOM 1106 O SER A 74 -6.382 -18.599 3.076 1.00 0.00 O ATOM 1107 CB SER A 74 -7.271 -20.684 5.396 1.00 0.00 C ATOM 1108 OG SER A 74 -8.641 -20.490 5.698 1.00 0.00 O ATOM 0 H SER A 74 -7.371 -19.062 7.249 1.00 0.00 H new ATOM 0 HA SER A 74 -5.454 -19.543 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.175 -21.189 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.819 -21.334 6.145 1.00 0.00 H new ATOM 0 HG SER A 74 -9.098 -21.357 5.718 1.00 0.00 H new ATOM 1114 N GLY A 75 -8.052 -17.768 4.334 1.00 0.00 N ATOM 1115 CA GLY A 75 -8.576 -16.951 3.255 1.00 0.00 C ATOM 1116 C GLY A 75 -10.076 -17.097 3.092 1.00 0.00 C ATOM 1117 O GLY A 75 -10.517 -17.676 2.100 1.00 0.00 O ATOM 0 H GLY A 75 -8.565 -17.698 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.335 -15.905 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.084 -17.227 2.322 1.00 0.00 H new TER 1121 GLY A 75 HETATM 1122 ZN ZN A 201 4.253 2.806 1.931 1.00 0.00 ZN HETATM 1123 ZN ZN A 401 3.375 -4.404 14.058 1.00 0.00 ZN