USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -69:sc= 1.05 USER MOD Set 1.2: A 41 ASN : amide:sc= -2.6 K(o=-1.6,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= -0.123 USER MOD Single : A 6 SER OG : rot 17:sc= 0.0947 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.0398 (180deg=-0.61) USER MOD Single : A 18 GLN : amide:sc= -0.0364 K(o=-0.036,f=-2.2!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.99 K(o=-2,f=-0.26) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00196 USER MOD Single : A 54 SER OG : rot -140:sc= 0.0348 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.651 15.776 -6.597 1.00 0.00 N ATOM 2 CA GLY A 1 31.474 15.244 -5.935 1.00 0.00 C ATOM 3 C GLY A 1 31.401 13.732 -6.009 1.00 0.00 C ATOM 4 O GLY A 1 31.273 13.060 -4.986 1.00 0.00 O ATOM 0 H1 GLY A 1 32.655 16.813 -6.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.506 15.392 -6.147 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.637 15.505 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.478 15.554 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.581 15.671 -6.391 1.00 0.00 H new ATOM 8 N SER A 2 31.480 13.196 -7.222 1.00 0.00 N ATOM 9 CA SER A 2 31.416 11.753 -7.426 1.00 0.00 C ATOM 10 C SER A 2 32.732 11.226 -7.992 1.00 0.00 C ATOM 11 O SER A 2 33.116 11.560 -9.112 1.00 0.00 O ATOM 12 CB SER A 2 30.265 11.400 -8.369 1.00 0.00 C ATOM 13 OG SER A 2 29.047 11.971 -7.923 1.00 0.00 O ATOM 0 H SER A 2 31.588 13.739 -8.079 1.00 0.00 H new ATOM 0 HA SER A 2 31.241 11.282 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.491 11.757 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.161 10.317 -8.432 1.00 0.00 H new ATOM 0 HG SER A 2 28.327 11.732 -8.544 1.00 0.00 H new ATOM 19 N SER A 3 33.417 10.400 -7.207 1.00 0.00 N ATOM 20 CA SER A 3 34.691 9.829 -7.627 1.00 0.00 C ATOM 21 C SER A 3 34.853 8.410 -7.092 1.00 0.00 C ATOM 22 O SER A 3 34.830 8.184 -5.883 1.00 0.00 O ATOM 23 CB SER A 3 35.850 10.703 -7.144 1.00 0.00 C ATOM 24 OG SER A 3 35.766 12.008 -7.690 1.00 0.00 O ATOM 0 H SER A 3 33.111 10.112 -6.278 1.00 0.00 H new ATOM 0 HA SER A 3 34.702 9.792 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.838 10.759 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.798 10.246 -7.429 1.00 0.00 H new ATOM 0 HG SER A 3 36.517 12.548 -7.365 1.00 0.00 H new ATOM 30 N GLY A 4 35.018 7.455 -8.003 1.00 0.00 N ATOM 31 CA GLY A 4 35.181 6.069 -7.604 1.00 0.00 C ATOM 32 C GLY A 4 35.150 5.119 -8.784 1.00 0.00 C ATOM 33 O GLY A 4 34.155 5.046 -9.506 1.00 0.00 O ATOM 0 H GLY A 4 35.042 7.617 -9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 4 36.127 5.955 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.390 5.800 -6.904 1.00 0.00 H new ATOM 37 N SER A 5 36.243 4.389 -8.983 1.00 0.00 N ATOM 38 CA SER A 5 36.339 3.442 -10.088 1.00 0.00 C ATOM 39 C SER A 5 35.408 2.254 -9.868 1.00 0.00 C ATOM 40 O SER A 5 34.947 2.010 -8.753 1.00 0.00 O ATOM 41 CB SER A 5 37.780 2.953 -10.244 1.00 0.00 C ATOM 42 OG SER A 5 37.893 2.031 -11.314 1.00 0.00 O ATOM 0 H SER A 5 37.074 4.435 -8.394 1.00 0.00 H new ATOM 0 HA SER A 5 36.036 3.955 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.439 3.803 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.110 2.482 -9.318 1.00 0.00 H new ATOM 0 HG SER A 5 38.824 1.735 -11.394 1.00 0.00 H new ATOM 48 N SER A 6 35.135 1.518 -10.941 1.00 0.00 N ATOM 49 CA SER A 6 34.255 0.357 -10.867 1.00 0.00 C ATOM 50 C SER A 6 34.715 -0.735 -11.829 1.00 0.00 C ATOM 51 O SER A 6 34.712 -0.548 -13.045 1.00 0.00 O ATOM 52 CB SER A 6 32.815 0.761 -11.187 1.00 0.00 C ATOM 53 OG SER A 6 32.176 1.316 -10.051 1.00 0.00 O ATOM 0 H SER A 6 35.510 1.705 -11.871 1.00 0.00 H new ATOM 0 HA SER A 6 34.297 -0.036 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.810 1.486 -12.001 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.258 -0.110 -11.532 1.00 0.00 H new ATOM 0 HG SER A 6 32.851 1.567 -9.386 1.00 0.00 H new ATOM 59 N GLY A 7 35.111 -1.876 -11.274 1.00 0.00 N ATOM 60 CA GLY A 7 35.568 -2.981 -12.095 1.00 0.00 C ATOM 61 C GLY A 7 35.835 -4.234 -11.285 1.00 0.00 C ATOM 62 O GLY A 7 36.813 -4.941 -11.526 1.00 0.00 O ATOM 0 H GLY A 7 35.123 -2.055 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 34.819 -3.197 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.479 -2.689 -12.617 1.00 0.00 H new ATOM 66 N MET A 8 34.963 -4.510 -10.321 1.00 0.00 N ATOM 67 CA MET A 8 35.109 -5.687 -9.472 1.00 0.00 C ATOM 68 C MET A 8 33.777 -6.414 -9.315 1.00 0.00 C ATOM 69 O MET A 8 32.734 -5.786 -9.136 1.00 0.00 O ATOM 70 CB MET A 8 35.650 -5.287 -8.098 1.00 0.00 C ATOM 71 CG MET A 8 35.714 -6.441 -7.110 1.00 0.00 C ATOM 72 SD MET A 8 36.984 -6.208 -5.851 1.00 0.00 S ATOM 73 CE MET A 8 37.633 -7.872 -5.715 1.00 0.00 C ATOM 0 H MET A 8 34.148 -3.935 -10.108 1.00 0.00 H new ATOM 0 HA MET A 8 35.817 -6.363 -9.951 1.00 0.00 H new ATOM 0 HB2 MET A 8 36.648 -4.867 -8.218 1.00 0.00 H new ATOM 0 HB3 MET A 8 35.020 -4.500 -7.684 1.00 0.00 H new ATOM 0 HG2 MET A 8 34.744 -6.554 -6.626 1.00 0.00 H new ATOM 0 HG3 MET A 8 35.910 -7.367 -7.651 1.00 0.00 H new ATOM 0 HE1 MET A 8 38.430 -7.892 -4.972 1.00 0.00 H new ATOM 0 HE2 MET A 8 36.836 -8.550 -5.410 1.00 0.00 H new ATOM 0 HE3 MET A 8 38.029 -8.188 -6.680 1.00 0.00 H new ATOM 83 N ALA A 9 33.820 -7.740 -9.384 1.00 0.00 N ATOM 84 CA ALA A 9 32.617 -8.552 -9.248 1.00 0.00 C ATOM 85 C ALA A 9 32.837 -9.699 -8.268 1.00 0.00 C ATOM 86 O ALA A 9 33.905 -10.310 -8.241 1.00 0.00 O ATOM 87 CB ALA A 9 32.188 -9.090 -10.605 1.00 0.00 C ATOM 0 H ALA A 9 34.675 -8.275 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 9 31.823 -7.918 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.289 -9.695 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.981 -8.258 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.986 -9.704 -11.022 1.00 0.00 H new ATOM 93 N SER A 10 31.819 -9.986 -7.462 1.00 0.00 N ATOM 94 CA SER A 10 31.902 -11.057 -6.476 1.00 0.00 C ATOM 95 C SER A 10 31.336 -12.358 -7.038 1.00 0.00 C ATOM 96 O SER A 10 31.963 -13.412 -6.943 1.00 0.00 O ATOM 97 CB SER A 10 31.148 -10.667 -5.204 1.00 0.00 C ATOM 98 OG SER A 10 31.982 -9.938 -4.320 1.00 0.00 O ATOM 0 H SER A 10 30.927 -9.491 -7.473 1.00 0.00 H new ATOM 0 HA SER A 10 32.953 -11.213 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 10 30.276 -10.067 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 10 30.781 -11.564 -4.706 1.00 0.00 H new ATOM 0 HG SER A 10 31.476 -9.699 -3.515 1.00 0.00 H new ATOM 104 N GLY A 11 30.146 -12.273 -7.624 1.00 0.00 N ATOM 105 CA GLY A 11 29.514 -13.450 -8.193 1.00 0.00 C ATOM 106 C GLY A 11 28.008 -13.309 -8.291 1.00 0.00 C ATOM 107 O GLY A 11 27.488 -12.198 -8.382 1.00 0.00 O ATOM 0 H GLY A 11 29.608 -11.411 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.924 -13.635 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.755 -14.320 -7.582 1.00 0.00 H new ATOM 111 N GLN A 12 27.307 -14.438 -8.274 1.00 0.00 N ATOM 112 CA GLN A 12 25.852 -14.435 -8.365 1.00 0.00 C ATOM 113 C GLN A 12 25.227 -15.029 -7.107 1.00 0.00 C ATOM 114 O GLN A 12 25.802 -15.916 -6.475 1.00 0.00 O ATOM 115 CB GLN A 12 25.395 -15.220 -9.595 1.00 0.00 C ATOM 116 CG GLN A 12 25.490 -16.728 -9.425 1.00 0.00 C ATOM 117 CD GLN A 12 26.890 -17.187 -9.067 1.00 0.00 C ATOM 118 OE1 GLN A 12 27.094 -17.871 -8.064 1.00 0.00 O ATOM 119 NE2 GLN A 12 27.865 -16.812 -9.887 1.00 0.00 N ATOM 0 H GLN A 12 27.723 -15.366 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 12 25.521 -13.401 -8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.363 -14.953 -9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 12 25.999 -14.921 -10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 12 24.797 -17.047 -8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 12 25.177 -17.215 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.651 -16.245 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.827 -17.091 -9.696 1.00 0.00 H new ATOM 128 N PHE A 13 24.047 -14.534 -6.748 1.00 0.00 N ATOM 129 CA PHE A 13 23.344 -15.015 -5.564 1.00 0.00 C ATOM 130 C PHE A 13 24.189 -14.811 -4.310 1.00 0.00 C ATOM 131 O PHE A 13 24.272 -15.691 -3.453 1.00 0.00 O ATOM 132 CB PHE A 13 22.993 -16.496 -5.720 1.00 0.00 C ATOM 133 CG PHE A 13 21.925 -16.962 -4.772 1.00 0.00 C ATOM 134 CD1 PHE A 13 20.629 -16.485 -4.879 1.00 0.00 C ATOM 135 CD2 PHE A 13 22.218 -17.877 -3.774 1.00 0.00 C ATOM 136 CE1 PHE A 13 19.643 -16.912 -4.009 1.00 0.00 C ATOM 137 CE2 PHE A 13 21.236 -18.308 -2.901 1.00 0.00 C ATOM 138 CZ PHE A 13 19.948 -17.824 -3.018 1.00 0.00 C ATOM 0 H PHE A 13 23.557 -13.800 -7.260 1.00 0.00 H new ATOM 0 HA PHE A 13 22.424 -14.440 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 13 22.664 -16.677 -6.743 1.00 0.00 H new ATOM 0 HB3 PHE A 13 23.892 -17.093 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 13 20.386 -15.771 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 13 23.224 -18.258 -3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 13 18.636 -16.533 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 13 21.476 -19.023 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 13 19.181 -18.158 -2.336 1.00 0.00 H new ATOM 148 N VAL A 14 24.815 -13.642 -4.209 1.00 0.00 N ATOM 149 CA VAL A 14 25.653 -13.321 -3.060 1.00 0.00 C ATOM 150 C VAL A 14 24.808 -13.087 -1.812 1.00 0.00 C ATOM 151 O VAL A 14 25.243 -13.366 -0.695 1.00 0.00 O ATOM 152 CB VAL A 14 26.513 -12.071 -3.325 1.00 0.00 C ATOM 153 CG1 VAL A 14 27.520 -12.341 -4.433 1.00 0.00 C ATOM 154 CG2 VAL A 14 25.631 -10.881 -3.673 1.00 0.00 C ATOM 0 H VAL A 14 24.757 -12.902 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 14 26.308 -14.177 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 14 27.064 -11.831 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.119 -11.447 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 14 28.173 -13.163 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 14 26.991 -12.607 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 14 26.255 -10.007 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 14 25.051 -11.107 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 24.954 -10.675 -2.844 1.00 0.00 H new ATOM 164 N ASN A 15 23.599 -12.574 -2.010 1.00 0.00 N ATOM 165 CA ASN A 15 22.692 -12.302 -0.900 1.00 0.00 C ATOM 166 C ASN A 15 21.841 -13.528 -0.581 1.00 0.00 C ATOM 167 O ASN A 15 21.335 -14.198 -1.481 1.00 0.00 O ATOM 168 CB ASN A 15 21.789 -11.113 -1.232 1.00 0.00 C ATOM 169 CG ASN A 15 21.244 -10.436 0.012 1.00 0.00 C ATOM 170 OD1 ASN A 15 21.753 -9.401 0.442 1.00 0.00 O ATOM 171 ND2 ASN A 15 20.204 -11.021 0.595 1.00 0.00 N ATOM 0 H ASN A 15 23.224 -12.338 -2.929 1.00 0.00 H new ATOM 0 HA ASN A 15 23.292 -12.060 -0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.350 -10.387 -1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 15 20.959 -11.453 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.794 -10.613 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.815 -11.878 0.203 1.00 0.00 H new ATOM 178 N LYS A 16 21.688 -13.815 0.707 1.00 0.00 N ATOM 179 CA LYS A 16 20.897 -14.958 1.148 1.00 0.00 C ATOM 180 C LYS A 16 19.457 -14.844 0.660 1.00 0.00 C ATOM 181 O LYS A 16 19.050 -13.808 0.130 1.00 0.00 O ATOM 182 CB LYS A 16 20.922 -15.064 2.674 1.00 0.00 C ATOM 183 CG LYS A 16 22.243 -15.572 3.227 1.00 0.00 C ATOM 184 CD LYS A 16 22.055 -16.281 4.558 1.00 0.00 C ATOM 185 CE LYS A 16 21.803 -17.769 4.366 1.00 0.00 C ATOM 186 NZ LYS A 16 20.352 -18.072 4.227 1.00 0.00 N ATOM 0 H LYS A 16 22.102 -13.271 1.465 1.00 0.00 H new ATOM 0 HA LYS A 16 21.337 -15.859 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.712 -14.084 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.122 -15.731 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.699 -16.255 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.931 -14.736 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.941 -16.138 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.217 -15.835 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.333 -18.116 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.209 -18.319 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.183 -19.073 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.808 -17.473 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.050 -17.881 3.250 1.00 0.00 H new ATOM 200 N LEU A 17 18.689 -15.912 0.842 1.00 0.00 N ATOM 201 CA LEU A 17 17.292 -15.931 0.421 1.00 0.00 C ATOM 202 C LEU A 17 16.401 -15.256 1.459 1.00 0.00 C ATOM 203 O LEU A 17 16.436 -15.602 2.640 1.00 0.00 O ATOM 204 CB LEU A 17 16.827 -17.370 0.192 1.00 0.00 C ATOM 205 CG LEU A 17 15.340 -17.555 -0.112 1.00 0.00 C ATOM 206 CD1 LEU A 17 15.060 -17.290 -1.583 1.00 0.00 C ATOM 207 CD2 LEU A 17 14.886 -18.955 0.275 1.00 0.00 C ATOM 0 H LEU A 17 19.010 -16.776 1.278 1.00 0.00 H new ATOM 0 HA LEU A 17 17.213 -15.377 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.401 -17.789 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.072 -17.955 1.079 1.00 0.00 H new ATOM 0 HG LEU A 17 14.775 -16.835 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.997 -17.426 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.347 -16.268 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.635 -17.986 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.825 -19.068 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.457 -19.692 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.051 -19.109 1.341 1.00 0.00 H new ATOM 219 N GLN A 18 15.603 -14.293 1.010 1.00 0.00 N ATOM 220 CA GLN A 18 14.702 -13.571 1.901 1.00 0.00 C ATOM 221 C GLN A 18 13.406 -13.206 1.184 1.00 0.00 C ATOM 222 O GLN A 18 13.368 -13.116 -0.042 1.00 0.00 O ATOM 223 CB GLN A 18 15.380 -12.306 2.430 1.00 0.00 C ATOM 224 CG GLN A 18 16.619 -12.584 3.266 1.00 0.00 C ATOM 225 CD GLN A 18 16.285 -12.972 4.693 1.00 0.00 C ATOM 226 OE1 GLN A 18 15.159 -13.368 4.994 1.00 0.00 O ATOM 227 NE2 GLN A 18 17.266 -12.860 5.581 1.00 0.00 N ATOM 0 H GLN A 18 15.562 -13.995 0.035 1.00 0.00 H new ATOM 0 HA GLN A 18 14.461 -14.223 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.655 -11.672 1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.665 -11.745 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.194 -13.385 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 18 17.254 -11.698 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.184 -12.527 5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.101 -13.107 6.557 1.00 0.00 H new ATOM 236 N GLU A 19 12.346 -12.997 1.959 1.00 0.00 N ATOM 237 CA GLU A 19 11.048 -12.643 1.397 1.00 0.00 C ATOM 238 C GLU A 19 10.880 -11.128 1.329 1.00 0.00 C ATOM 239 O GLU A 19 11.256 -10.409 2.254 1.00 0.00 O ATOM 240 CB GLU A 19 9.921 -13.255 2.233 1.00 0.00 C ATOM 241 CG GLU A 19 8.633 -13.466 1.456 1.00 0.00 C ATOM 242 CD GLU A 19 7.720 -14.488 2.106 1.00 0.00 C ATOM 243 OE1 GLU A 19 7.460 -14.364 3.321 1.00 0.00 O ATOM 244 OE2 GLU A 19 7.267 -15.412 1.399 1.00 0.00 O ATOM 0 H GLU A 19 12.361 -13.067 2.977 1.00 0.00 H new ATOM 0 HA GLU A 19 10.998 -13.043 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.255 -14.212 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.719 -12.607 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.105 -12.516 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.873 -13.791 0.444 1.00 0.00 H new ATOM 251 N GLU A 20 10.312 -10.650 0.226 1.00 0.00 N ATOM 252 CA GLU A 20 10.096 -9.221 0.036 1.00 0.00 C ATOM 253 C GLU A 20 8.626 -8.926 -0.249 1.00 0.00 C ATOM 254 O GLU A 20 7.915 -9.752 -0.822 1.00 0.00 O ATOM 255 CB GLU A 20 10.963 -8.699 -1.111 1.00 0.00 C ATOM 256 CG GLU A 20 12.450 -8.698 -0.798 1.00 0.00 C ATOM 257 CD GLU A 20 13.205 -7.623 -1.556 1.00 0.00 C ATOM 258 OE1 GLU A 20 13.273 -6.481 -1.055 1.00 0.00 O ATOM 259 OE2 GLU A 20 13.728 -7.924 -2.649 1.00 0.00 O ATOM 0 H GLU A 20 9.993 -11.232 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 20 10.380 -8.712 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.787 -9.311 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.652 -7.684 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.592 -8.550 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.870 -9.673 -1.044 1.00 0.00 H new ATOM 266 N VAL A 21 8.176 -7.743 0.158 1.00 0.00 N ATOM 267 CA VAL A 21 6.791 -7.338 -0.053 1.00 0.00 C ATOM 268 C VAL A 21 6.715 -5.968 -0.719 1.00 0.00 C ATOM 269 O VAL A 21 7.476 -5.060 -0.382 1.00 0.00 O ATOM 270 CB VAL A 21 6.010 -7.296 1.273 1.00 0.00 C ATOM 271 CG1 VAL A 21 4.582 -6.830 1.038 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.030 -8.661 1.946 1.00 0.00 C ATOM 0 H VAL A 21 8.750 -7.048 0.636 1.00 0.00 H new ATOM 0 HA VAL A 21 6.339 -8.083 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 21 6.495 -6.581 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.046 -6.807 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.592 -5.831 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.082 -7.518 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.473 -8.613 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.570 -9.398 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.061 -8.950 2.151 1.00 0.00 H new ATOM 282 N ILE A 22 5.791 -5.826 -1.664 1.00 0.00 N ATOM 283 CA ILE A 22 5.614 -4.567 -2.375 1.00 0.00 C ATOM 284 C ILE A 22 4.163 -4.101 -2.316 1.00 0.00 C ATOM 285 O ILE A 22 3.242 -4.914 -2.230 1.00 0.00 O ATOM 286 CB ILE A 22 6.043 -4.687 -3.849 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.497 -5.154 -3.943 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.860 -3.357 -4.565 1.00 0.00 C ATOM 289 CD1 ILE A 22 8.497 -4.107 -3.503 1.00 0.00 C ATOM 0 H ILE A 22 5.154 -6.568 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 22 6.249 -3.833 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 22 5.411 -5.429 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.624 -6.046 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.712 -5.441 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.168 -3.459 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.811 -3.063 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.470 -2.595 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.507 -4.507 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.398 -3.222 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.308 -3.837 -2.464 1.00 0.00 H new ATOM 301 N CYS A 23 3.967 -2.788 -2.365 1.00 0.00 N ATOM 302 CA CYS A 23 2.628 -2.212 -2.319 1.00 0.00 C ATOM 303 C CYS A 23 1.916 -2.381 -3.658 1.00 0.00 C ATOM 304 O CYS A 23 2.351 -1.868 -4.689 1.00 0.00 O ATOM 305 CB CYS A 23 2.700 -0.729 -1.951 1.00 0.00 C ATOM 306 SG CYS A 23 1.137 -0.044 -1.314 1.00 0.00 S ATOM 0 H CYS A 23 4.719 -2.102 -2.437 1.00 0.00 H new ATOM 0 HA CYS A 23 2.058 -2.742 -1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.478 -0.589 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.001 -0.161 -2.832 1.00 0.00 H new ATOM 311 N PRO A 24 0.796 -3.118 -3.644 1.00 0.00 N ATOM 312 CA PRO A 24 0.000 -3.371 -4.848 1.00 0.00 C ATOM 313 C PRO A 24 -0.713 -2.119 -5.346 1.00 0.00 C ATOM 314 O PRO A 24 -1.418 -2.154 -6.355 1.00 0.00 O ATOM 315 CB PRO A 24 -1.018 -4.418 -4.388 1.00 0.00 C ATOM 316 CG PRO A 24 -1.138 -4.208 -2.918 1.00 0.00 C ATOM 317 CD PRO A 24 0.219 -3.760 -2.451 1.00 0.00 C ATOM 0 HA PRO A 24 0.619 -3.697 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.978 -4.283 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.679 -5.428 -4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.896 -3.458 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.440 -5.127 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.147 -3.064 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.826 -4.601 -2.114 1.00 0.00 H new ATOM 325 N ILE A 25 -0.526 -1.014 -4.632 1.00 0.00 N ATOM 326 CA ILE A 25 -1.150 0.250 -5.003 1.00 0.00 C ATOM 327 C ILE A 25 -0.180 1.135 -5.779 1.00 0.00 C ATOM 328 O ILE A 25 -0.459 1.540 -6.908 1.00 0.00 O ATOM 329 CB ILE A 25 -1.649 1.017 -3.764 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.544 0.119 -2.908 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.396 2.273 -4.184 1.00 0.00 C ATOM 332 CD1 ILE A 25 -2.739 0.629 -1.497 1.00 0.00 C ATOM 0 H ILE A 25 0.053 -0.969 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.003 0.007 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.787 1.314 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.517 0.025 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.110 -0.880 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.742 2.804 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.730 2.918 -4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.252 1.998 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.384 -0.057 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.772 0.696 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.201 1.616 -1.527 1.00 0.00 H new ATOM 344 N CYS A 26 0.961 1.431 -5.166 1.00 0.00 N ATOM 345 CA CYS A 26 1.974 2.267 -5.799 1.00 0.00 C ATOM 346 C CYS A 26 3.060 1.412 -6.445 1.00 0.00 C ATOM 347 O CYS A 26 3.832 1.892 -7.276 1.00 0.00 O ATOM 348 CB CYS A 26 2.599 3.214 -4.771 1.00 0.00 C ATOM 349 SG CYS A 26 3.063 2.408 -3.205 1.00 0.00 S ATOM 0 H CYS A 26 1.207 1.104 -4.232 1.00 0.00 H new ATOM 0 HA CYS A 26 1.489 2.855 -6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.486 3.673 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.895 4.019 -4.559 1.00 0.00 H new ATOM 354 N LEU A 27 3.114 0.142 -6.056 1.00 0.00 N ATOM 355 CA LEU A 27 4.105 -0.782 -6.597 1.00 0.00 C ATOM 356 C LEU A 27 5.520 -0.323 -6.257 1.00 0.00 C ATOM 357 O LEU A 27 6.417 -0.369 -7.099 1.00 0.00 O ATOM 358 CB LEU A 27 3.946 -0.901 -8.114 1.00 0.00 C ATOM 359 CG LEU A 27 2.674 -1.595 -8.603 1.00 0.00 C ATOM 360 CD1 LEU A 27 2.553 -1.483 -10.114 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.664 -3.054 -8.172 1.00 0.00 C ATOM 0 H LEU A 27 2.484 -0.271 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 27 3.941 -1.759 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.977 0.101 -8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.806 -1.443 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 27 1.815 -1.098 -8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.642 -1.982 -10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.514 -0.432 -10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.416 -1.955 -10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.752 -3.532 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.530 -3.564 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.703 -3.112 -7.084 1.00 0.00 H new ATOM 373 N ASP A 28 5.712 0.117 -5.019 1.00 0.00 N ATOM 374 CA ASP A 28 7.018 0.581 -4.566 1.00 0.00 C ATOM 375 C ASP A 28 7.331 0.046 -3.172 1.00 0.00 C ATOM 376 O ASP A 28 6.468 -0.528 -2.508 1.00 0.00 O ATOM 377 CB ASP A 28 7.067 2.109 -4.562 1.00 0.00 C ATOM 378 CG ASP A 28 8.459 2.645 -4.835 1.00 0.00 C ATOM 379 OD1 ASP A 28 9.433 1.888 -4.642 1.00 0.00 O ATOM 380 OD2 ASP A 28 8.574 3.821 -5.240 1.00 0.00 O ATOM 0 H ASP A 28 4.980 0.162 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 28 7.770 0.203 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.379 2.494 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.722 2.478 -3.596 1.00 0.00 H new ATOM 385 N ILE A 29 8.572 0.237 -2.736 1.00 0.00 N ATOM 386 CA ILE A 29 8.999 -0.227 -1.421 1.00 0.00 C ATOM 387 C ILE A 29 8.235 0.488 -0.312 1.00 0.00 C ATOM 388 O ILE A 29 8.234 1.718 -0.236 1.00 0.00 O ATOM 389 CB ILE A 29 10.509 -0.010 -1.211 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.308 -0.782 -2.263 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.915 -0.440 0.191 1.00 0.00 C ATOM 392 CD1 ILE A 29 10.919 -2.241 -2.367 1.00 0.00 C ATOM 0 H ILE A 29 9.299 0.709 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 29 8.784 -1.295 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 29 10.728 1.052 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.169 -0.307 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.369 -0.713 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.985 -0.281 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.366 0.149 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.685 -1.497 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.526 -2.726 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.085 -2.731 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.866 -2.318 -2.637 1.00 0.00 H new ATOM 404 N LEU A 30 7.587 -0.289 0.549 1.00 0.00 N ATOM 405 CA LEU A 30 6.820 0.269 1.657 1.00 0.00 C ATOM 406 C LEU A 30 7.696 0.438 2.894 1.00 0.00 C ATOM 407 O LEU A 30 7.977 -0.528 3.603 1.00 0.00 O ATOM 408 CB LEU A 30 5.627 -0.631 1.982 1.00 0.00 C ATOM 409 CG LEU A 30 5.844 -2.132 1.781 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.993 -2.929 2.758 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.527 -2.529 0.347 1.00 0.00 C ATOM 0 H LEU A 30 7.578 -1.308 0.501 1.00 0.00 H new ATOM 0 HA LEU A 30 6.455 1.251 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.342 -0.461 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.784 -0.320 1.365 1.00 0.00 H new ATOM 0 HG LEU A 30 6.892 -2.358 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.160 -3.995 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.268 -2.665 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.940 -2.699 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.687 -3.600 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.487 -2.289 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.179 -1.983 -0.334 1.00 0.00 H new ATOM 423 N GLN A 31 8.121 1.672 3.148 1.00 0.00 N ATOM 424 CA GLN A 31 8.963 1.967 4.301 1.00 0.00 C ATOM 425 C GLN A 31 8.588 1.087 5.489 1.00 0.00 C ATOM 426 O GLN A 31 9.375 0.246 5.925 1.00 0.00 O ATOM 427 CB GLN A 31 8.840 3.442 4.685 1.00 0.00 C ATOM 428 CG GLN A 31 9.633 4.374 3.783 1.00 0.00 C ATOM 429 CD GLN A 31 11.067 4.551 4.243 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.967 3.842 3.793 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.286 5.500 5.146 1.00 0.00 N ATOM 0 H GLN A 31 7.896 2.483 2.571 1.00 0.00 H new ATOM 0 HA GLN A 31 9.997 1.755 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.789 3.730 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.178 3.571 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.627 3.981 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.143 5.347 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.510 6.064 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.231 5.665 5.494 1.00 0.00 H new ATOM 440 N LYS A 32 7.382 1.286 6.009 1.00 0.00 N ATOM 441 CA LYS A 32 6.901 0.511 7.146 1.00 0.00 C ATOM 442 C LYS A 32 5.825 -0.481 6.712 1.00 0.00 C ATOM 443 O LYS A 32 4.700 -0.107 6.379 1.00 0.00 O ATOM 444 CB LYS A 32 6.345 1.442 8.226 1.00 0.00 C ATOM 445 CG LYS A 32 7.395 1.922 9.213 1.00 0.00 C ATOM 446 CD LYS A 32 6.769 2.342 10.532 1.00 0.00 C ATOM 447 CE LYS A 32 7.586 3.427 11.217 1.00 0.00 C ATOM 448 NZ LYS A 32 8.639 2.855 12.101 1.00 0.00 N ATOM 0 H LYS A 32 6.719 1.978 5.661 1.00 0.00 H new ATOM 0 HA LYS A 32 7.743 -0.048 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.886 2.307 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.556 0.923 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.120 1.127 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.941 2.762 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.756 2.704 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.688 1.476 11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.051 4.062 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.924 4.063 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.173 3.627 12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.194 2.269 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.286 2.269 11.536 1.00 0.00 H new ATOM 462 N PRO A 33 6.176 -1.775 6.717 1.00 0.00 N ATOM 463 CA PRO A 33 5.254 -2.847 6.329 1.00 0.00 C ATOM 464 C PRO A 33 4.135 -3.045 7.346 1.00 0.00 C ATOM 465 O PRO A 33 4.350 -3.609 8.419 1.00 0.00 O ATOM 466 CB PRO A 33 6.152 -4.085 6.274 1.00 0.00 C ATOM 467 CG PRO A 33 7.279 -3.777 7.199 1.00 0.00 C ATOM 468 CD PRO A 33 7.500 -2.293 7.102 1.00 0.00 C ATOM 0 HA PRO A 33 4.748 -2.629 5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.614 -4.979 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.510 -4.270 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.037 -4.070 8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.178 -4.325 6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.835 -1.874 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.259 -2.048 6.359 1.00 0.00 H new ATOM 476 N VAL A 34 2.939 -2.578 7.001 1.00 0.00 N ATOM 477 CA VAL A 34 1.785 -2.706 7.883 1.00 0.00 C ATOM 478 C VAL A 34 0.872 -3.840 7.433 1.00 0.00 C ATOM 479 O VAL A 34 0.103 -3.694 6.482 1.00 0.00 O ATOM 480 CB VAL A 34 0.973 -1.398 7.938 1.00 0.00 C ATOM 481 CG1 VAL A 34 -0.246 -1.564 8.832 1.00 0.00 C ATOM 482 CG2 VAL A 34 1.846 -0.249 8.420 1.00 0.00 C ATOM 0 H VAL A 34 2.744 -2.108 6.117 1.00 0.00 H new ATOM 0 HA VAL A 34 2.170 -2.928 8.878 1.00 0.00 H new ATOM 0 HB VAL A 34 0.626 -1.163 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.807 -0.630 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.881 -2.358 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.075 -1.823 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.256 0.667 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.224 -0.473 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.684 -0.117 7.736 1.00 0.00 H new ATOM 492 N THR A 35 0.960 -4.974 8.122 1.00 0.00 N ATOM 493 CA THR A 35 0.142 -6.134 7.793 1.00 0.00 C ATOM 494 C THR A 35 -1.291 -5.953 8.281 1.00 0.00 C ATOM 495 O THR A 35 -1.527 -5.705 9.464 1.00 0.00 O ATOM 496 CB THR A 35 0.722 -7.422 8.407 1.00 0.00 C ATOM 497 OG1 THR A 35 2.119 -7.522 8.108 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.004 -8.649 7.876 1.00 0.00 C ATOM 0 H THR A 35 1.590 -5.113 8.912 1.00 0.00 H new ATOM 0 HA THR A 35 0.144 -6.224 6.707 1.00 0.00 H new ATOM 0 HB THR A 35 0.585 -7.377 9.487 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.237 -7.692 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.423 -9.546 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.062 -8.584 8.131 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.106 -8.696 6.793 1.00 0.00 H new ATOM 506 N ILE A 36 -2.243 -6.079 7.363 1.00 0.00 N ATOM 507 CA ILE A 36 -3.653 -5.931 7.701 1.00 0.00 C ATOM 508 C ILE A 36 -4.294 -7.283 7.992 1.00 0.00 C ATOM 509 O ILE A 36 -3.791 -8.324 7.567 1.00 0.00 O ATOM 510 CB ILE A 36 -4.434 -5.238 6.568 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.730 -5.455 5.227 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.583 -3.752 6.860 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.461 -4.839 4.055 1.00 0.00 C ATOM 0 H ILE A 36 -2.064 -6.283 6.380 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.699 -5.310 8.596 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.429 -5.679 6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.726 -5.034 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.618 -6.525 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.137 -3.276 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.123 -3.618 7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.596 -3.296 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.905 -5.032 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.456 -5.277 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.550 -3.763 4.206 1.00 0.00 H new ATOM 525 N ASP A 37 -5.407 -7.261 8.716 1.00 0.00 N ATOM 526 CA ASP A 37 -6.120 -8.486 9.061 1.00 0.00 C ATOM 527 C ASP A 37 -6.423 -9.309 7.813 1.00 0.00 C ATOM 528 O ASP A 37 -6.733 -10.497 7.900 1.00 0.00 O ATOM 529 CB ASP A 37 -7.419 -8.155 9.797 1.00 0.00 C ATOM 530 CG ASP A 37 -8.304 -7.208 9.012 1.00 0.00 C ATOM 531 OD1 ASP A 37 -7.780 -6.509 8.120 1.00 0.00 O ATOM 532 OD2 ASP A 37 -9.521 -7.165 9.289 1.00 0.00 O ATOM 0 H ASP A 37 -5.836 -6.408 9.076 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.480 -9.077 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.965 -9.077 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.182 -7.710 10.763 1.00 0.00 H new ATOM 537 N CYS A 38 -6.331 -8.668 6.652 1.00 0.00 N ATOM 538 CA CYS A 38 -6.597 -9.339 5.385 1.00 0.00 C ATOM 539 C CYS A 38 -5.493 -10.339 5.057 1.00 0.00 C ATOM 540 O CYS A 38 -5.727 -11.340 4.381 1.00 0.00 O ATOM 541 CB CYS A 38 -6.722 -8.313 4.258 1.00 0.00 C ATOM 542 SG CYS A 38 -5.146 -7.914 3.437 1.00 0.00 S ATOM 0 H CYS A 38 -6.074 -7.685 6.563 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.538 -9.881 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.422 -8.691 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.151 -7.396 4.662 1.00 0.00 H new ATOM 547 N GLY A 39 -4.286 -10.061 5.543 1.00 0.00 N ATOM 548 CA GLY A 39 -3.163 -10.945 5.291 1.00 0.00 C ATOM 549 C GLY A 39 -2.036 -10.254 4.550 1.00 0.00 C ATOM 550 O GLY A 39 -0.877 -10.329 4.959 1.00 0.00 O ATOM 0 H GLY A 39 -4.067 -9.240 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.788 -11.330 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.503 -11.803 4.711 1.00 0.00 H new ATOM 554 N HIS A 40 -2.375 -9.581 3.455 1.00 0.00 N ATOM 555 CA HIS A 40 -1.381 -8.874 2.654 1.00 0.00 C ATOM 556 C HIS A 40 -0.869 -7.640 3.390 1.00 0.00 C ATOM 557 O HIS A 40 -1.365 -7.293 4.460 1.00 0.00 O ATOM 558 CB HIS A 40 -1.977 -8.469 1.306 1.00 0.00 C ATOM 559 CG HIS A 40 -2.840 -9.526 0.690 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.134 -9.294 0.273 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.587 -10.828 0.419 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.640 -10.407 -0.226 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.722 -11.353 -0.150 1.00 0.00 N ATOM 0 H HIS A 40 -3.329 -9.510 3.102 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.541 -9.547 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.566 -7.561 1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.167 -8.227 0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.665 -11.356 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.636 -10.524 -0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.837 -12.317 -0.463 1.00 0.00 H new ATOM 571 N ASN A 41 0.129 -6.982 2.808 1.00 0.00 N ATOM 572 CA ASN A 41 0.709 -5.787 3.409 1.00 0.00 C ATOM 573 C ASN A 41 0.647 -4.607 2.443 1.00 0.00 C ATOM 574 O ASN A 41 0.451 -4.785 1.241 1.00 0.00 O ATOM 575 CB ASN A 41 2.160 -6.049 3.817 1.00 0.00 C ATOM 576 CG ASN A 41 2.301 -7.280 4.692 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.440 -7.565 5.524 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.390 -8.017 4.506 1.00 0.00 N ATOM 0 H ASN A 41 0.552 -7.256 1.921 1.00 0.00 H new ATOM 0 HA ASN A 41 0.127 -5.539 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.770 -6.171 2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.547 -5.181 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.539 -8.857 5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.078 -7.743 3.805 1.00 0.00 H new ATOM 585 N PHE A 42 0.816 -3.402 2.978 1.00 0.00 N ATOM 586 CA PHE A 42 0.779 -2.193 2.164 1.00 0.00 C ATOM 587 C PHE A 42 1.706 -1.124 2.735 1.00 0.00 C ATOM 588 O PHE A 42 2.301 -1.305 3.799 1.00 0.00 O ATOM 589 CB PHE A 42 -0.650 -1.652 2.081 1.00 0.00 C ATOM 590 CG PHE A 42 -1.589 -2.553 1.330 1.00 0.00 C ATOM 591 CD1 PHE A 42 -1.977 -3.771 1.864 1.00 0.00 C ATOM 592 CD2 PHE A 42 -2.084 -2.181 0.090 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.840 -4.602 1.175 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.947 -3.008 -0.603 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.327 -4.219 -0.060 1.00 0.00 C ATOM 0 H PHE A 42 0.980 -3.237 3.971 1.00 0.00 H new ATOM 0 HA PHE A 42 1.122 -2.450 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.033 -1.502 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.633 -0.675 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.601 -4.075 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.792 -1.234 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.133 -5.550 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.324 -2.707 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.003 -4.866 -0.599 1.00 0.00 H new ATOM 605 N CYS A 43 1.826 -0.010 2.021 1.00 0.00 N ATOM 606 CA CYS A 43 2.681 1.089 2.455 1.00 0.00 C ATOM 607 C CYS A 43 1.866 2.163 3.170 1.00 0.00 C ATOM 608 O CYS A 43 0.781 2.535 2.722 1.00 0.00 O ATOM 609 CB CYS A 43 3.409 1.699 1.256 1.00 0.00 C ATOM 610 SG CYS A 43 2.518 3.080 0.469 1.00 0.00 S ATOM 0 H CYS A 43 1.342 0.156 1.139 1.00 0.00 H new ATOM 0 HA CYS A 43 3.416 0.691 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.389 2.050 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.579 0.920 0.513 1.00 0.00 H new ATOM 615 N LEU A 44 2.397 2.656 4.283 1.00 0.00 N ATOM 616 CA LEU A 44 1.720 3.688 5.061 1.00 0.00 C ATOM 617 C LEU A 44 1.223 4.813 4.159 1.00 0.00 C ATOM 618 O LEU A 44 0.073 5.240 4.257 1.00 0.00 O ATOM 619 CB LEU A 44 2.663 4.252 6.126 1.00 0.00 C ATOM 620 CG LEU A 44 1.996 4.823 7.378 1.00 0.00 C ATOM 621 CD1 LEU A 44 2.984 4.874 8.533 1.00 0.00 C ATOM 622 CD2 LEU A 44 1.430 6.207 7.097 1.00 0.00 C ATOM 0 H LEU A 44 3.294 2.358 4.667 1.00 0.00 H new ATOM 0 HA LEU A 44 0.859 3.233 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.348 3.461 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.266 5.037 5.670 1.00 0.00 H new ATOM 0 HG LEU A 44 1.173 4.166 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.492 5.283 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.341 3.868 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.828 5.508 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.959 6.598 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.236 6.874 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.689 6.142 6.300 1.00 0.00 H new ATOM 634 N LYS A 45 2.097 5.287 3.277 1.00 0.00 N ATOM 635 CA LYS A 45 1.748 6.359 2.353 1.00 0.00 C ATOM 636 C LYS A 45 0.434 6.057 1.640 1.00 0.00 C ATOM 637 O LYS A 45 -0.290 6.968 1.237 1.00 0.00 O ATOM 638 CB LYS A 45 2.864 6.559 1.326 1.00 0.00 C ATOM 639 CG LYS A 45 4.087 7.264 1.885 1.00 0.00 C ATOM 640 CD LYS A 45 5.192 7.373 0.847 1.00 0.00 C ATOM 641 CE LYS A 45 5.007 8.597 -0.036 1.00 0.00 C ATOM 642 NZ LYS A 45 6.004 8.638 -1.142 1.00 0.00 N ATOM 0 H LYS A 45 3.053 4.945 3.183 1.00 0.00 H new ATOM 0 HA LYS A 45 1.625 7.276 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.163 5.587 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.475 7.136 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.809 8.261 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.456 6.720 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.159 7.427 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.202 6.475 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.000 8.595 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.099 9.499 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.845 9.487 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.964 8.666 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.900 7.790 -1.735 1.00 0.00 H new ATOM 656 N CYS A 46 0.130 4.772 1.489 1.00 0.00 N ATOM 657 CA CYS A 46 -1.097 4.348 0.826 1.00 0.00 C ATOM 658 C CYS A 46 -2.205 4.092 1.844 1.00 0.00 C ATOM 659 O CYS A 46 -3.281 4.686 1.767 1.00 0.00 O ATOM 660 CB CYS A 46 -0.846 3.085 0.001 1.00 0.00 C ATOM 661 SG CYS A 46 -0.356 3.408 -1.723 1.00 0.00 S ATOM 0 H CYS A 46 0.718 4.006 1.817 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.417 5.150 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.066 2.497 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.751 2.477 0.002 1.00 0.00 H new ATOM 666 N ILE A 47 -1.933 3.206 2.796 1.00 0.00 N ATOM 667 CA ILE A 47 -2.906 2.873 3.829 1.00 0.00 C ATOM 668 C ILE A 47 -3.539 4.131 4.414 1.00 0.00 C ATOM 669 O ILE A 47 -4.658 4.096 4.927 1.00 0.00 O ATOM 670 CB ILE A 47 -2.261 2.060 4.967 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.650 0.769 4.418 1.00 0.00 C ATOM 672 CG2 ILE A 47 -3.290 1.749 6.044 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.771 0.046 5.414 1.00 0.00 C ATOM 0 H ILE A 47 -1.047 2.706 2.873 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.678 2.269 3.353 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.465 2.655 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.452 0.102 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.063 1.003 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.819 1.174 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.683 2.680 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.106 1.169 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.372 -0.860 4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.052 0.695 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.359 -0.220 6.293 1.00 0.00 H new ATOM 685 N THR A 48 -2.817 5.244 4.331 1.00 0.00 N ATOM 686 CA THR A 48 -3.308 6.514 4.851 1.00 0.00 C ATOM 687 C THR A 48 -4.402 7.087 3.958 1.00 0.00 C ATOM 688 O THR A 48 -5.431 7.556 4.445 1.00 0.00 O ATOM 689 CB THR A 48 -2.171 7.546 4.978 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.693 8.794 5.449 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.477 7.754 3.640 1.00 0.00 C ATOM 0 H THR A 48 -1.890 5.292 3.908 1.00 0.00 H new ATOM 0 HA THR A 48 -3.719 6.313 5.841 1.00 0.00 H new ATOM 0 HB THR A 48 -1.442 7.164 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.964 9.444 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.678 8.487 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.056 6.809 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.199 8.116 2.908 1.00 0.00 H new ATOM 699 N GLN A 49 -4.174 7.047 2.649 1.00 0.00 N ATOM 700 CA GLN A 49 -5.142 7.563 1.689 1.00 0.00 C ATOM 701 C GLN A 49 -6.488 6.863 1.843 1.00 0.00 C ATOM 702 O GLN A 49 -7.541 7.489 1.726 1.00 0.00 O ATOM 703 CB GLN A 49 -4.621 7.385 0.262 1.00 0.00 C ATOM 704 CG GLN A 49 -4.992 6.047 -0.359 1.00 0.00 C ATOM 705 CD GLN A 49 -4.056 5.646 -1.482 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.027 6.279 -2.537 1.00 0.00 O ATOM 707 NE2 GLN A 49 -3.285 4.588 -1.260 1.00 0.00 N ATOM 0 H GLN A 49 -3.327 6.663 2.229 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.282 8.626 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.014 8.187 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.536 7.486 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.979 5.277 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.011 6.098 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.342 4.093 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.635 4.270 -1.979 1.00 0.00 H new ATOM 716 N ILE A 50 -6.445 5.561 2.105 1.00 0.00 N ATOM 717 CA ILE A 50 -7.662 4.776 2.276 1.00 0.00 C ATOM 718 C ILE A 50 -8.259 4.983 3.663 1.00 0.00 C ATOM 719 O ILE A 50 -9.476 5.079 3.819 1.00 0.00 O ATOM 720 CB ILE A 50 -7.397 3.274 2.062 1.00 0.00 C ATOM 721 CG1 ILE A 50 -6.953 3.012 0.621 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.642 2.465 2.393 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.451 2.948 0.455 1.00 0.00 C ATOM 0 H ILE A 50 -5.581 5.027 2.203 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.370 5.123 1.523 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.595 2.962 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.389 2.073 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.348 3.799 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.440 1.405 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.918 2.632 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.461 2.777 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.208 2.760 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.010 3.895 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.051 2.143 1.071 1.00 0.00 H new ATOM 735 N GLY A 51 -7.394 5.053 4.671 1.00 0.00 N ATOM 736 CA GLY A 51 -7.855 5.250 6.032 1.00 0.00 C ATOM 737 C GLY A 51 -8.567 6.575 6.217 1.00 0.00 C ATOM 738 O GLY A 51 -9.588 6.647 6.901 1.00 0.00 O ATOM 0 H GLY A 51 -6.382 4.977 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.529 4.438 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.004 5.200 6.711 1.00 0.00 H new ATOM 742 N GLU A 52 -8.027 7.626 5.608 1.00 0.00 N ATOM 743 CA GLU A 52 -8.618 8.955 5.711 1.00 0.00 C ATOM 744 C GLU A 52 -10.096 8.925 5.333 1.00 0.00 C ATOM 745 O GLU A 52 -10.940 9.488 6.031 1.00 0.00 O ATOM 746 CB GLU A 52 -7.870 9.941 4.812 1.00 0.00 C ATOM 747 CG GLU A 52 -6.547 10.411 5.393 1.00 0.00 C ATOM 748 CD GLU A 52 -6.697 11.644 6.263 1.00 0.00 C ATOM 749 OE1 GLU A 52 -6.887 12.745 5.706 1.00 0.00 O ATOM 750 OE2 GLU A 52 -6.626 11.506 7.502 1.00 0.00 O ATOM 0 H GLU A 52 -7.182 7.583 5.039 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.533 9.283 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.686 9.471 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.506 10.808 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.107 9.606 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.854 10.627 4.580 1.00 0.00 H new ATOM 757 N THR A 53 -10.403 8.263 4.221 1.00 0.00 N ATOM 758 CA THR A 53 -11.777 8.160 3.747 1.00 0.00 C ATOM 759 C THR A 53 -12.546 7.093 4.518 1.00 0.00 C ATOM 760 O THR A 53 -13.691 7.305 4.916 1.00 0.00 O ATOM 761 CB THR A 53 -11.830 7.830 2.244 1.00 0.00 C ATOM 762 OG1 THR A 53 -10.987 6.708 1.959 1.00 0.00 O ATOM 763 CG2 THR A 53 -11.391 9.025 1.411 1.00 0.00 C ATOM 0 H THR A 53 -9.717 7.790 3.632 1.00 0.00 H new ATOM 0 HA THR A 53 -12.242 9.131 3.914 1.00 0.00 H new ATOM 0 HB THR A 53 -12.860 7.586 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.027 6.503 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.437 8.767 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.052 9.869 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.369 9.296 1.674 1.00 0.00 H new ATOM 771 N SER A 54 -11.908 5.945 4.725 1.00 0.00 N ATOM 772 CA SER A 54 -12.534 4.843 5.446 1.00 0.00 C ATOM 773 C SER A 54 -12.601 5.140 6.941 1.00 0.00 C ATOM 774 O SER A 54 -11.585 5.432 7.574 1.00 0.00 O ATOM 775 CB SER A 54 -11.760 3.545 5.207 1.00 0.00 C ATOM 776 OG SER A 54 -12.094 2.976 3.953 1.00 0.00 O ATOM 0 H SER A 54 -10.959 5.754 4.404 1.00 0.00 H new ATOM 0 HA SER A 54 -13.551 4.727 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.689 3.744 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.981 2.834 6.003 1.00 0.00 H new ATOM 0 HG SER A 54 -12.166 2.003 4.044 1.00 0.00 H new ATOM 782 N CYS A 55 -13.804 5.063 7.500 1.00 0.00 N ATOM 783 CA CYS A 55 -14.006 5.325 8.920 1.00 0.00 C ATOM 784 C CYS A 55 -13.036 4.506 9.767 1.00 0.00 C ATOM 785 O CYS A 55 -12.472 5.005 10.740 1.00 0.00 O ATOM 786 CB CYS A 55 -15.447 5.004 9.320 1.00 0.00 C ATOM 787 SG CYS A 55 -16.655 6.233 8.774 1.00 0.00 S ATOM 0 H CYS A 55 -14.654 4.821 6.991 1.00 0.00 H new ATOM 0 HA CYS A 55 -13.814 6.383 9.100 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -15.720 4.033 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -15.500 4.915 10.405 1.00 0.00 H new ATOM 0 HG CYS A 55 -17.844 5.873 9.157 1.00 0.00 H new ATOM 793 N GLY A 56 -12.848 3.245 9.389 1.00 0.00 N ATOM 794 CA GLY A 56 -11.948 2.377 10.125 1.00 0.00 C ATOM 795 C GLY A 56 -11.570 1.136 9.342 1.00 0.00 C ATOM 796 O GLY A 56 -10.418 0.701 9.371 1.00 0.00 O ATOM 0 H GLY A 56 -13.303 2.810 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.044 2.930 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.419 2.082 11.063 1.00 0.00 H new ATOM 800 N PHE A 57 -12.542 0.562 8.640 1.00 0.00 N ATOM 801 CA PHE A 57 -12.305 -0.639 7.847 1.00 0.00 C ATOM 802 C PHE A 57 -11.504 -0.312 6.591 1.00 0.00 C ATOM 803 O PHE A 57 -11.930 0.492 5.761 1.00 0.00 O ATOM 804 CB PHE A 57 -13.635 -1.291 7.462 1.00 0.00 C ATOM 805 CG PHE A 57 -13.485 -2.683 6.919 1.00 0.00 C ATOM 806 CD1 PHE A 57 -12.797 -3.650 7.635 1.00 0.00 C ATOM 807 CD2 PHE A 57 -14.032 -3.026 5.693 1.00 0.00 C ATOM 808 CE1 PHE A 57 -12.656 -4.931 7.137 1.00 0.00 C ATOM 809 CE2 PHE A 57 -13.895 -4.306 5.190 1.00 0.00 C ATOM 810 CZ PHE A 57 -13.207 -5.260 5.914 1.00 0.00 C ATOM 0 H PHE A 57 -13.501 0.909 8.604 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.727 -1.337 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.284 -1.319 8.338 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.132 -0.670 6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.366 -3.399 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.572 -2.284 5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.115 -5.675 7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.325 -4.560 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.100 -6.262 5.524 1.00 0.00 H new ATOM 820 N PHE A 58 -10.341 -0.940 6.458 1.00 0.00 N ATOM 821 CA PHE A 58 -9.478 -0.716 5.304 1.00 0.00 C ATOM 822 C PHE A 58 -9.775 -1.725 4.198 1.00 0.00 C ATOM 823 O PHE A 58 -9.638 -2.933 4.391 1.00 0.00 O ATOM 824 CB PHE A 58 -8.007 -0.810 5.714 1.00 0.00 C ATOM 825 CG PHE A 58 -7.066 -0.932 4.550 1.00 0.00 C ATOM 826 CD1 PHE A 58 -6.871 -2.154 3.925 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.377 0.174 4.080 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.006 -2.269 2.853 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.511 0.065 3.008 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.325 -1.159 2.395 1.00 0.00 C ATOM 0 H PHE A 58 -9.974 -1.609 7.135 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.678 0.285 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.743 0.075 6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.875 -1.671 6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.401 -3.026 4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.518 1.133 4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.863 -3.226 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.981 0.935 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.648 -1.247 1.558 1.00 0.00 H new ATOM 840 N LYS A 59 -10.182 -1.220 3.039 1.00 0.00 N ATOM 841 CA LYS A 59 -10.498 -2.075 1.901 1.00 0.00 C ATOM 842 C LYS A 59 -9.230 -2.485 1.160 1.00 0.00 C ATOM 843 O LYS A 59 -8.382 -1.648 0.847 1.00 0.00 O ATOM 844 CB LYS A 59 -11.450 -1.353 0.944 1.00 0.00 C ATOM 845 CG LYS A 59 -11.880 -2.201 -0.241 1.00 0.00 C ATOM 846 CD LYS A 59 -13.056 -1.578 -0.974 1.00 0.00 C ATOM 847 CE LYS A 59 -13.832 -2.619 -1.768 1.00 0.00 C ATOM 848 NZ LYS A 59 -14.816 -3.344 -0.918 1.00 0.00 N ATOM 0 H LYS A 59 -10.301 -0.222 2.863 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.984 -2.975 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.336 -1.038 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.965 -0.449 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.042 -2.319 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.152 -3.199 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.720 -1.097 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.696 -0.800 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.353 -2.133 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.136 -3.333 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.324 -4.044 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.316 -3.829 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.496 -2.666 -0.518 1.00 0.00 H new ATOM 862 N CYS A 60 -9.106 -3.778 0.880 1.00 0.00 N ATOM 863 CA CYS A 60 -7.942 -4.301 0.174 1.00 0.00 C ATOM 864 C CYS A 60 -8.302 -4.687 -1.257 1.00 0.00 C ATOM 865 O CYS A 60 -9.303 -5.356 -1.513 1.00 0.00 O ATOM 866 CB CYS A 60 -7.373 -5.513 0.914 1.00 0.00 C ATOM 867 SG CYS A 60 -6.033 -6.366 0.022 1.00 0.00 S ATOM 0 H CYS A 60 -9.798 -4.484 1.132 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.186 -3.517 0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.000 -5.190 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.179 -6.222 1.102 1.00 0.00 H new ATOM 872 N PRO A 61 -7.466 -4.256 -2.214 1.00 0.00 N ATOM 873 CA PRO A 61 -7.674 -4.546 -3.636 1.00 0.00 C ATOM 874 C PRO A 61 -7.451 -6.017 -3.967 1.00 0.00 C ATOM 875 O PRO A 61 -8.122 -6.578 -4.835 1.00 0.00 O ATOM 876 CB PRO A 61 -6.625 -3.676 -4.332 1.00 0.00 C ATOM 877 CG PRO A 61 -5.555 -3.483 -3.313 1.00 0.00 C ATOM 878 CD PRO A 61 -6.253 -3.454 -1.981 1.00 0.00 C ATOM 0 HA PRO A 61 -8.697 -4.337 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.237 -4.164 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.048 -2.722 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.826 -4.292 -3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.011 -2.555 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.633 -3.882 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.497 -2.436 -1.677 1.00 0.00 H new ATOM 886 N LEU A 62 -6.506 -6.639 -3.270 1.00 0.00 N ATOM 887 CA LEU A 62 -6.194 -8.047 -3.490 1.00 0.00 C ATOM 888 C LEU A 62 -7.331 -8.939 -3.000 1.00 0.00 C ATOM 889 O LEU A 62 -7.712 -9.900 -3.669 1.00 0.00 O ATOM 890 CB LEU A 62 -4.894 -8.419 -2.775 1.00 0.00 C ATOM 891 CG LEU A 62 -3.699 -7.501 -3.033 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.521 -7.899 -2.158 1.00 0.00 C ATOM 893 CD2 LEU A 62 -3.309 -7.534 -4.504 1.00 0.00 C ATOM 0 H LEU A 62 -5.943 -6.190 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.070 -8.204 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.086 -8.439 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.618 -9.432 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.987 -6.481 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.680 -7.234 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.805 -7.822 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.232 -8.926 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.457 -6.875 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.041 -8.552 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.150 -7.199 -5.111 1.00 0.00 H new ATOM 905 N CYS A 63 -7.870 -8.612 -1.830 1.00 0.00 N ATOM 906 CA CYS A 63 -8.964 -9.382 -1.251 1.00 0.00 C ATOM 907 C CYS A 63 -10.301 -8.974 -1.865 1.00 0.00 C ATOM 908 O CYS A 63 -10.385 -7.986 -2.594 1.00 0.00 O ATOM 909 CB CYS A 63 -9.006 -9.186 0.266 1.00 0.00 C ATOM 910 SG CYS A 63 -7.505 -9.748 1.130 1.00 0.00 S ATOM 0 H CYS A 63 -7.567 -7.819 -1.265 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.790 -10.435 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.162 -8.129 0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.866 -9.723 0.667 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.579 2.259 -1.530 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.712 -8.370 1.202 1.00 0.00 ZN