USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.74) USER MOD Set 2.1: A 14 ASN : amide:sc= -2.13 K(o=-2.4,f=-13!) USER MOD Set 2.2: A 20 TYR OH : rot 30:sc= 0 USER MOD Set 2.3: A 41 GLN : amide:sc= -0.235 X(o=-2.4,f=-2.1) USER MOD Single : A 9 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.95! C(o=-4!,f=-3.9!) USER MOD Single : A 27 ASN : amide:sc= -0.0964 K(o=-0.096,f=-2.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= -1.38 (180deg=-4.51!) USER MOD Single : A 35 GLN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 36 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.077) USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -4.44 (180deg=-9.41!) USER MOD Single : A 48 GLN : amide:sc= -7.73 K(o=-7.7,f=-15!) USER MOD Single : A 49 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.3!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.781 K(o=-0.78,f=-2.4) USER MOD Single : A 66 TYR OH : rot 15:sc= 0.845 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 71 SER OG : rot 77:sc= 1.23 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.288 -3.652 -4.521 1.00 0.00 N ATOM 60 CA GLY A 7 -7.456 -3.182 -3.428 1.00 0.00 C ATOM 61 C GLY A 7 -8.183 -2.205 -2.525 1.00 0.00 C ATOM 62 O GLY A 7 -9.389 -2.001 -2.664 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.119 -4.035 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.565 -2.703 -3.834 1.00 0.00 H new ATOM 66 N ILE A 8 -7.449 -1.602 -1.597 1.00 0.00 N ATOM 67 CA ILE A 8 -8.032 -0.642 -0.667 1.00 0.00 C ATOM 68 C ILE A 8 -7.571 0.777 -0.982 1.00 0.00 C ATOM 69 O ILE A 8 -6.664 0.981 -1.788 1.00 0.00 O ATOM 70 CB ILE A 8 -7.666 -0.977 0.791 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.155 -0.862 1.000 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.151 -2.373 1.151 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.764 -0.571 2.433 1.00 0.00 C ATOM 0 H ILE A 8 -6.450 -1.761 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.114 -0.705 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.160 -0.261 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.681 -1.791 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.767 -0.071 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.885 -2.595 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.234 -2.423 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.682 -3.103 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.679 -0.503 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.209 0.373 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.122 -1.373 3.078 1.00 0.00 H new ATOM 85 N GLN A 9 -8.200 1.755 -0.338 1.00 0.00 N ATOM 86 CA GLN A 9 -7.853 3.155 -0.548 1.00 0.00 C ATOM 87 C GLN A 9 -7.346 3.790 0.742 1.00 0.00 C ATOM 88 O GLN A 9 -7.895 3.556 1.819 1.00 0.00 O ATOM 89 CB GLN A 9 -9.065 3.930 -1.070 1.00 0.00 C ATOM 90 CG GLN A 9 -8.698 5.105 -1.961 1.00 0.00 C ATOM 91 CD GLN A 9 -8.603 4.721 -3.424 1.00 0.00 C ATOM 92 OE1 GLN A 9 -8.802 3.562 -3.788 1.00 0.00 O ATOM 93 NE2 GLN A 9 -8.298 5.695 -4.274 1.00 0.00 N ATOM 0 H GLN A 9 -8.953 1.603 0.334 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.056 3.198 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.709 3.249 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.645 4.295 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.443 5.892 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.744 5.519 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.141 6.642 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.221 5.496 -5.271 1.00 0.00 H new ATOM 102 N VAL A 10 -6.295 4.595 0.627 1.00 0.00 N ATOM 103 CA VAL A 10 -5.713 5.265 1.784 1.00 0.00 C ATOM 104 C VAL A 10 -5.545 6.758 1.527 1.00 0.00 C ATOM 105 O VAL A 10 -4.979 7.165 0.512 1.00 0.00 O ATOM 106 CB VAL A 10 -4.345 4.661 2.153 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.522 3.303 2.816 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.462 4.551 0.920 1.00 0.00 C ATOM 0 H VAL A 10 -5.829 4.799 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.402 5.118 2.615 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.854 5.324 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.545 2.892 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.115 3.416 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.033 2.627 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.499 4.122 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.945 3.910 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.308 5.542 0.493 1.00 0.00 H new ATOM 118 N PHE A 11 -6.040 7.572 2.454 1.00 0.00 N ATOM 119 CA PHE A 11 -5.945 9.021 2.328 1.00 0.00 C ATOM 120 C PHE A 11 -4.662 9.540 2.971 1.00 0.00 C ATOM 121 O PHE A 11 -4.530 9.557 4.195 1.00 0.00 O ATOM 122 CB PHE A 11 -7.160 9.691 2.975 1.00 0.00 C ATOM 123 CG PHE A 11 -8.440 9.466 2.223 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.835 10.341 1.223 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.249 8.380 2.515 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.012 10.137 0.529 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.427 8.170 1.823 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.810 9.051 0.830 1.00 0.00 C ATOM 0 H PHE A 11 -6.511 7.252 3.300 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.924 9.268 1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.274 9.314 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.976 10.763 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.215 11.192 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.956 7.690 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.308 10.826 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.048 7.318 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.732 8.891 0.290 1.00 0.00 H new ATOM 138 N VAL A 12 -3.718 9.962 2.136 1.00 0.00 N ATOM 139 CA VAL A 12 -2.445 10.482 2.621 1.00 0.00 C ATOM 140 C VAL A 12 -2.517 11.988 2.849 1.00 0.00 C ATOM 141 O VAL A 12 -2.519 12.772 1.900 1.00 0.00 O ATOM 142 CB VAL A 12 -1.302 10.178 1.634 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.013 10.740 2.151 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.193 8.680 1.391 1.00 0.00 C ATOM 0 H VAL A 12 -3.811 9.954 1.120 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.240 9.983 3.568 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.527 10.662 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.809 10.516 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.074 11.820 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.248 10.288 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.381 8.483 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.991 8.172 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.129 8.310 0.973 1.00 0.00 H new ATOM 154 N LYS A 13 -2.577 12.386 4.115 1.00 0.00 N ATOM 155 CA LYS A 13 -2.647 13.798 4.471 1.00 0.00 C ATOM 156 C LYS A 13 -1.254 14.417 4.521 1.00 0.00 C ATOM 157 O LYS A 13 -0.423 14.033 5.343 1.00 0.00 O ATOM 158 CB LYS A 13 -3.342 13.971 5.823 1.00 0.00 C ATOM 159 CG LYS A 13 -3.207 15.368 6.403 1.00 0.00 C ATOM 160 CD LYS A 13 -3.557 15.394 7.882 1.00 0.00 C ATOM 161 CE LYS A 13 -3.891 16.802 8.350 1.00 0.00 C ATOM 162 NZ LYS A 13 -3.909 16.903 9.836 1.00 0.00 N ATOM 0 H LYS A 13 -2.579 11.750 4.912 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.226 14.311 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.400 13.734 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.928 13.252 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.186 15.724 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.860 16.052 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.406 14.736 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.720 15.005 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.159 17.502 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.863 17.095 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.140 17.878 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.625 16.254 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.974 16.648 10.213 1.00 0.00 H new ATOM 176 N ASN A 14 -1.006 15.378 3.637 1.00 0.00 N ATOM 177 CA ASN A 14 0.287 16.051 3.582 1.00 0.00 C ATOM 178 C ASN A 14 0.418 17.070 4.709 1.00 0.00 C ATOM 179 O ASN A 14 -0.569 17.602 5.217 1.00 0.00 O ATOM 180 CB ASN A 14 0.468 16.743 2.229 1.00 0.00 C ATOM 181 CG ASN A 14 -0.723 17.606 1.858 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.607 17.850 2.679 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.750 18.074 0.616 1.00 0.00 N ATOM 0 H ASN A 14 -1.683 15.708 2.949 1.00 0.00 H new ATOM 0 HA ASN A 14 1.066 15.299 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.366 17.360 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.622 15.990 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.525 18.661 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.005 17.846 -0.031 1.00 0.00 H new ATOM 190 N PRO A 15 1.667 17.351 5.111 1.00 0.00 N ATOM 191 CA PRO A 15 1.958 18.309 6.181 1.00 0.00 C ATOM 192 C PRO A 15 1.663 19.747 5.768 1.00 0.00 C ATOM 193 O PRO A 15 1.694 20.659 6.595 1.00 0.00 O ATOM 194 CB PRO A 15 3.457 18.120 6.429 1.00 0.00 C ATOM 195 CG PRO A 15 3.990 17.594 5.141 1.00 0.00 C ATOM 196 CD PRO A 15 2.891 16.754 4.550 1.00 0.00 C ATOM 0 HA PRO A 15 1.341 18.135 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.935 19.061 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.638 17.423 7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.263 18.408 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.890 17.001 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.895 16.795 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.992 15.705 4.830 1.00 0.00 H new ATOM 204 N ASP A 16 1.377 19.942 4.486 1.00 0.00 N ATOM 205 CA ASP A 16 1.075 21.269 3.963 1.00 0.00 C ATOM 206 C ASP A 16 -0.431 21.504 3.914 1.00 0.00 C ATOM 207 O ASP A 16 -0.926 22.528 4.384 1.00 0.00 O ATOM 208 CB ASP A 16 1.676 21.440 2.567 1.00 0.00 C ATOM 209 CG ASP A 16 3.142 21.824 2.610 1.00 0.00 C ATOM 210 OD1 ASP A 16 3.501 22.702 3.422 1.00 0.00 O ATOM 211 OD2 ASP A 16 3.930 21.247 1.832 1.00 0.00 O ATOM 0 H ASP A 16 1.348 19.198 3.789 1.00 0.00 H new ATOM 0 HA ASP A 16 1.518 22.006 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.563 20.510 2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.119 22.205 2.026 1.00 0.00 H new ATOM 216 N GLY A 17 -1.156 20.548 3.341 1.00 0.00 N ATOM 217 CA GLY A 17 -2.599 20.671 3.241 1.00 0.00 C ATOM 218 C GLY A 17 -3.157 19.962 2.022 1.00 0.00 C ATOM 219 O GLY A 17 -2.606 20.068 0.928 1.00 0.00 O ATOM 0 H GLY A 17 -0.770 19.691 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.059 20.260 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.869 21.726 3.199 1.00 0.00 H new ATOM 223 N GLY A 18 -4.255 19.236 2.213 1.00 0.00 N ATOM 224 CA GLY A 18 -4.868 18.517 1.112 1.00 0.00 C ATOM 225 C GLY A 18 -4.435 17.065 1.055 1.00 0.00 C ATOM 226 O GLY A 18 -3.296 16.765 0.697 1.00 0.00 O ATOM 0 H GLY A 18 -4.730 19.133 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.953 18.566 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.610 19.007 0.173 1.00 0.00 H new ATOM 230 N SER A 19 -5.344 16.163 1.409 1.00 0.00 N ATOM 231 CA SER A 19 -5.047 14.735 1.402 1.00 0.00 C ATOM 232 C SER A 19 -5.479 14.098 0.085 1.00 0.00 C ATOM 233 O SER A 19 -6.448 14.531 -0.539 1.00 0.00 O ATOM 234 CB SER A 19 -5.748 14.041 2.571 1.00 0.00 C ATOM 235 OG SER A 19 -7.143 14.287 2.549 1.00 0.00 O ATOM 0 H SER A 19 -6.292 16.395 1.704 1.00 0.00 H new ATOM 0 HA SER A 19 -3.969 14.612 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.564 12.968 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.328 14.395 3.513 1.00 0.00 H new ATOM 0 HG SER A 19 -7.568 13.831 3.305 1.00 0.00 H new ATOM 241 N TYR A 20 -4.753 13.067 -0.332 1.00 0.00 N ATOM 242 CA TYR A 20 -5.058 12.370 -1.576 1.00 0.00 C ATOM 243 C TYR A 20 -5.373 10.900 -1.314 1.00 0.00 C ATOM 244 O TYR A 20 -4.870 10.306 -0.361 1.00 0.00 O ATOM 245 CB TYR A 20 -3.885 12.485 -2.551 1.00 0.00 C ATOM 246 CG TYR A 20 -3.165 13.813 -2.477 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.728 14.962 -3.015 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.920 13.917 -1.867 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.074 16.177 -2.951 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.259 15.128 -1.797 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.839 16.254 -2.340 1.00 0.00 C ATOM 252 OH TYR A 20 -1.184 17.463 -2.273 1.00 0.00 O ATOM 0 H TYR A 20 -3.949 12.695 0.173 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.937 12.838 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.174 11.684 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.251 12.336 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.695 14.905 -3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.462 13.037 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.526 17.061 -3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.293 15.192 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.841 18.190 -2.240 1.00 0.00 H new ATOM 262 N ALA A 21 -6.211 10.320 -2.168 1.00 0.00 N ATOM 263 CA ALA A 21 -6.592 8.920 -2.032 1.00 0.00 C ATOM 264 C ALA A 21 -5.780 8.036 -2.971 1.00 0.00 C ATOM 265 O ALA A 21 -5.950 8.087 -4.190 1.00 0.00 O ATOM 266 CB ALA A 21 -8.080 8.750 -2.299 1.00 0.00 C ATOM 0 H ALA A 21 -6.638 10.798 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.379 8.609 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.351 7.699 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.648 9.344 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.309 9.084 -3.311 1.00 0.00 H new ATOM 272 N TYR A 22 -4.896 7.227 -2.398 1.00 0.00 N ATOM 273 CA TYR A 22 -4.054 6.334 -3.185 1.00 0.00 C ATOM 274 C TYR A 22 -4.637 4.924 -3.219 1.00 0.00 C ATOM 275 O TYR A 22 -5.352 4.515 -2.305 1.00 0.00 O ATOM 276 CB TYR A 22 -2.636 6.297 -2.612 1.00 0.00 C ATOM 277 CG TYR A 22 -1.795 7.492 -3.000 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.946 8.713 -2.353 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.849 7.401 -4.013 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.180 9.807 -2.706 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.078 8.490 -4.371 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.247 9.691 -3.715 1.00 0.00 C ATOM 283 OH TYR A 22 0.518 10.778 -4.067 1.00 0.00 O ATOM 0 H TYR A 22 -4.744 7.171 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.017 6.718 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.694 6.241 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.139 5.388 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.674 8.808 -1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.714 6.462 -4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.311 10.749 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.653 8.401 -5.161 1.00 0.00 H new ATOM 0 HH TYR A 22 0.650 11.353 -3.284 1.00 0.00 H new ATOM 293 N ALA A 23 -4.326 4.187 -4.280 1.00 0.00 N ATOM 294 CA ALA A 23 -4.816 2.823 -4.433 1.00 0.00 C ATOM 295 C ALA A 23 -3.670 1.818 -4.377 1.00 0.00 C ATOM 296 O ALA A 23 -2.744 1.874 -5.186 1.00 0.00 O ATOM 297 CB ALA A 23 -5.582 2.681 -5.740 1.00 0.00 C ATOM 0 H ALA A 23 -3.737 4.512 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.491 2.611 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.942 1.657 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.430 3.366 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.923 2.918 -6.575 1.00 0.00 H new ATOM 303 N ILE A 24 -3.739 0.903 -3.416 1.00 0.00 N ATOM 304 CA ILE A 24 -2.707 -0.114 -3.256 1.00 0.00 C ATOM 305 C ILE A 24 -3.276 -1.381 -2.627 1.00 0.00 C ATOM 306 O ILE A 24 -3.859 -1.341 -1.545 1.00 0.00 O ATOM 307 CB ILE A 24 -1.542 0.398 -2.387 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.531 -0.724 -2.139 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.067 0.946 -1.069 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.774 -0.240 -1.547 1.00 0.00 C ATOM 0 H ILE A 24 -4.498 0.845 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.333 -0.343 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.038 1.205 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.974 -1.460 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.327 -1.233 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.233 1.304 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.753 1.770 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.592 0.157 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.443 -1.088 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.239 0.474 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.582 0.243 -0.589 1.00 0.00 H new ATOM 322 N ASN A 25 -3.102 -2.506 -3.314 1.00 0.00 N ATOM 323 CA ASN A 25 -3.598 -3.786 -2.822 1.00 0.00 C ATOM 324 C ASN A 25 -3.166 -4.018 -1.378 1.00 0.00 C ATOM 325 O ASN A 25 -2.049 -3.689 -0.977 1.00 0.00 O ATOM 326 CB ASN A 25 -3.091 -4.927 -3.708 1.00 0.00 C ATOM 327 CG ASN A 25 -4.065 -6.088 -3.769 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.248 -5.906 -4.058 1.00 0.00 O ATOM 329 ND2 ASN A 25 -3.571 -7.290 -3.495 1.00 0.00 N ATOM 0 H ASN A 25 -2.622 -2.557 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.687 -3.764 -2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.915 -4.550 -4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.132 -5.280 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.179 -8.109 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.584 -7.394 -3.260 1.00 0.00 H new ATOM 336 N PRO A 26 -4.070 -4.600 -0.576 1.00 0.00 N ATOM 337 CA PRO A 26 -3.805 -4.891 0.836 1.00 0.00 C ATOM 338 C PRO A 26 -2.782 -6.007 1.016 1.00 0.00 C ATOM 339 O PRO A 26 -2.172 -6.138 2.077 1.00 0.00 O ATOM 340 CB PRO A 26 -5.171 -5.326 1.371 1.00 0.00 C ATOM 341 CG PRO A 26 -5.899 -5.843 0.178 1.00 0.00 C ATOM 342 CD PRO A 26 -5.420 -5.020 -0.986 1.00 0.00 C ATOM 0 HA PRO A 26 -3.382 -4.032 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.069 -6.095 2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.702 -4.490 1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.689 -6.901 0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.977 -5.747 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.397 -5.602 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.070 -4.163 -1.167 1.00 0.00 H new ATOM 350 N ASN A 27 -2.599 -6.810 -0.027 1.00 0.00 N ATOM 351 CA ASN A 27 -1.649 -7.916 0.017 1.00 0.00 C ATOM 352 C ASN A 27 -0.251 -7.448 -0.374 1.00 0.00 C ATOM 353 O ASN A 27 0.713 -8.209 -0.299 1.00 0.00 O ATOM 354 CB ASN A 27 -2.102 -9.041 -0.916 1.00 0.00 C ATOM 355 CG ASN A 27 -3.335 -9.758 -0.401 1.00 0.00 C ATOM 356 OD1 ASN A 27 -4.210 -9.148 0.215 1.00 0.00 O ATOM 357 ND2 ASN A 27 -3.410 -11.060 -0.651 1.00 0.00 N ATOM 0 H ASN A 27 -3.096 -6.716 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.614 -8.292 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.311 -8.629 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.291 -9.759 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.216 -11.596 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.662 -11.525 -1.165 1.00 0.00 H new ATOM 364 N SER A 28 -0.149 -6.190 -0.791 1.00 0.00 N ATOM 365 CA SER A 28 1.131 -5.621 -1.197 1.00 0.00 C ATOM 366 C SER A 28 1.937 -5.176 0.019 1.00 0.00 C ATOM 367 O SER A 28 1.533 -5.395 1.161 1.00 0.00 O ATOM 368 CB SER A 28 0.910 -4.435 -2.139 1.00 0.00 C ATOM 369 OG SER A 28 2.017 -4.258 -3.005 1.00 0.00 O ATOM 0 H SER A 28 -0.937 -5.546 -0.857 1.00 0.00 H new ATOM 0 HA SER A 28 1.694 -6.393 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.007 -4.597 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.752 -3.528 -1.556 1.00 0.00 H new ATOM 0 HG SER A 28 1.850 -3.495 -3.598 1.00 0.00 H new ATOM 375 N PHE A 29 3.081 -4.549 -0.235 1.00 0.00 N ATOM 376 CA PHE A 29 3.947 -4.073 0.838 1.00 0.00 C ATOM 377 C PHE A 29 3.632 -2.621 1.187 1.00 0.00 C ATOM 378 O PHE A 29 3.147 -1.861 0.348 1.00 0.00 O ATOM 379 CB PHE A 29 5.416 -4.205 0.433 1.00 0.00 C ATOM 380 CG PHE A 29 5.880 -5.628 0.315 1.00 0.00 C ATOM 381 CD1 PHE A 29 6.174 -6.371 1.447 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.022 -6.224 -0.928 1.00 0.00 C ATOM 383 CE1 PHE A 29 6.602 -7.681 1.341 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.449 -7.534 -1.040 1.00 0.00 C ATOM 385 CZ PHE A 29 6.738 -8.264 0.096 1.00 0.00 C ATOM 0 H PHE A 29 3.430 -4.359 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 29 3.764 -4.688 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.568 -3.701 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.035 -3.689 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.068 -5.921 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.796 -5.658 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.830 -8.249 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.556 -7.986 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.070 -9.288 0.011 1.00 0.00 H new ATOM 395 N ILE A 30 3.911 -2.244 2.430 1.00 0.00 N ATOM 396 CA ILE A 30 3.659 -0.884 2.891 1.00 0.00 C ATOM 397 C ILE A 30 4.515 0.122 2.130 1.00 0.00 C ATOM 398 O ILE A 30 4.009 1.118 1.611 1.00 0.00 O ATOM 399 CB ILE A 30 3.935 -0.740 4.399 1.00 0.00 C ATOM 400 CG1 ILE A 30 2.810 -1.386 5.210 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.089 0.727 4.771 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.517 -0.602 5.180 1.00 0.00 C ATOM 0 H ILE A 30 4.312 -2.861 3.136 1.00 0.00 H new ATOM 0 HA ILE A 30 2.606 -0.677 2.702 1.00 0.00 H new ATOM 0 HB ILE A 30 4.867 -1.254 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.626 -2.389 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.135 -1.495 6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.284 0.813 5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.922 1.158 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.172 1.263 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.764 -1.119 5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.685 0.393 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.168 -0.515 4.151 1.00 0.00 H new ATOM 414 N LEU A 31 5.815 -0.146 2.065 1.00 0.00 N ATOM 415 CA LEU A 31 6.744 0.735 1.365 1.00 0.00 C ATOM 416 C LEU A 31 6.354 0.882 -0.102 1.00 0.00 C ATOM 417 O LEU A 31 6.688 1.875 -0.747 1.00 0.00 O ATOM 418 CB LEU A 31 8.170 0.195 1.474 1.00 0.00 C ATOM 419 CG LEU A 31 9.233 0.938 0.664 1.00 0.00 C ATOM 420 CD1 LEU A 31 10.586 0.854 1.354 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.317 0.376 -0.748 1.00 0.00 C ATOM 0 H LEU A 31 6.249 -0.966 2.488 1.00 0.00 H new ATOM 0 HA LEU A 31 6.698 1.718 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.464 0.212 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.167 -0.849 1.160 1.00 0.00 H new ATOM 0 HG LEU A 31 8.945 1.987 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.330 1.388 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.518 1.304 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.881 -0.191 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.078 0.917 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.580 -0.681 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.352 0.489 -1.243 1.00 0.00 H new ATOM 433 N GLY A 32 5.642 -0.113 -0.623 1.00 0.00 N ATOM 434 CA GLY A 32 5.216 -0.074 -2.010 1.00 0.00 C ATOM 435 C GLY A 32 4.294 1.092 -2.300 1.00 0.00 C ATOM 436 O GLY A 32 4.178 1.532 -3.445 1.00 0.00 O ATOM 0 H GLY A 32 5.353 -0.945 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.093 -0.009 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.707 -1.006 -2.257 1.00 0.00 H new ATOM 440 N LEU A 33 3.633 1.595 -1.263 1.00 0.00 N ATOM 441 CA LEU A 33 2.714 2.718 -1.412 1.00 0.00 C ATOM 442 C LEU A 33 3.474 4.038 -1.487 1.00 0.00 C ATOM 443 O LEU A 33 3.222 4.864 -2.365 1.00 0.00 O ATOM 444 CB LEU A 33 1.725 2.751 -0.246 1.00 0.00 C ATOM 445 CG LEU A 33 0.937 4.050 -0.070 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.059 4.228 -1.205 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.225 4.064 1.274 1.00 0.00 C ATOM 0 H LEU A 33 3.716 1.243 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 33 2.164 2.584 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.015 1.934 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.274 2.555 0.675 1.00 0.00 H new ATOM 0 HG LEU A 33 1.638 4.884 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.610 5.157 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.474 4.264 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.756 3.390 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.330 4.996 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.465 3.222 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.959 3.985 2.076 1.00 0.00 H new ATOM 459 N LYS A 34 4.408 4.230 -0.561 1.00 0.00 N ATOM 460 CA LYS A 34 5.208 5.448 -0.523 1.00 0.00 C ATOM 461 C LYS A 34 5.723 5.805 -1.914 1.00 0.00 C ATOM 462 O LYS A 34 5.658 6.962 -2.331 1.00 0.00 O ATOM 463 CB LYS A 34 6.386 5.279 0.440 1.00 0.00 C ATOM 464 CG LYS A 34 6.051 5.631 1.879 1.00 0.00 C ATOM 465 CD LYS A 34 5.516 4.428 2.637 1.00 0.00 C ATOM 466 CE LYS A 34 5.850 4.510 4.119 1.00 0.00 C ATOM 467 NZ LYS A 34 4.870 3.757 4.951 1.00 0.00 N ATOM 0 H LYS A 34 4.629 3.557 0.173 1.00 0.00 H new ATOM 0 HA LYS A 34 4.571 6.260 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.733 4.246 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.212 5.906 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.942 6.010 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.311 6.431 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.435 4.367 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.938 3.515 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.851 4.113 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.864 5.554 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.598 4.333 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.025 3.543 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.302 2.869 5.277 1.00 0.00 H new ATOM 481 N GLN A 35 6.231 4.805 -2.627 1.00 0.00 N ATOM 482 CA GLN A 35 6.755 5.015 -3.971 1.00 0.00 C ATOM 483 C GLN A 35 5.785 5.841 -4.810 1.00 0.00 C ATOM 484 O GLN A 35 6.172 6.838 -5.419 1.00 0.00 O ATOM 485 CB GLN A 35 7.022 3.672 -4.653 1.00 0.00 C ATOM 486 CG GLN A 35 7.740 3.799 -5.986 1.00 0.00 C ATOM 487 CD GLN A 35 9.238 3.970 -5.829 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.894 3.193 -5.134 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.789 4.991 -6.475 1.00 0.00 N ATOM 0 H GLN A 35 6.291 3.842 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 35 7.693 5.564 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.618 3.048 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.074 3.158 -4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.541 2.912 -6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.336 4.652 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.208 5.610 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.793 5.156 -6.406 1.00 0.00 H new ATOM 498 N GLN A 36 4.526 5.418 -4.838 1.00 0.00 N ATOM 499 CA GLN A 36 3.501 6.118 -5.604 1.00 0.00 C ATOM 500 C GLN A 36 3.491 7.606 -5.266 1.00 0.00 C ATOM 501 O GLN A 36 3.250 8.447 -6.133 1.00 0.00 O ATOM 502 CB GLN A 36 2.125 5.511 -5.329 1.00 0.00 C ATOM 503 CG GLN A 36 1.836 4.263 -6.147 1.00 0.00 C ATOM 504 CD GLN A 36 0.360 3.917 -6.182 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.443 4.633 -6.780 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.005 2.813 -5.540 1.00 0.00 N ATOM 0 H GLN A 36 4.191 4.594 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 36 3.734 6.006 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.050 5.266 -4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.359 6.258 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.195 4.410 -7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.392 3.423 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.694 2.249 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.985 2.529 -5.530 1.00 0.00 H new ATOM 515 N ILE A 37 3.754 7.922 -4.003 1.00 0.00 N ATOM 516 CA ILE A 37 3.775 9.308 -3.552 1.00 0.00 C ATOM 517 C ILE A 37 5.042 10.018 -4.017 1.00 0.00 C ATOM 518 O ILE A 37 5.041 11.228 -4.240 1.00 0.00 O ATOM 519 CB ILE A 37 3.681 9.403 -2.018 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.369 8.786 -1.527 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.793 10.852 -1.568 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.438 8.272 -0.106 1.00 0.00 C ATOM 0 H ILE A 37 3.955 7.238 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 37 2.905 9.796 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 37 4.509 8.844 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.577 9.532 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.093 7.965 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.725 10.902 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.751 11.260 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.984 11.434 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.474 7.849 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.207 7.503 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.683 9.094 0.567 1.00 0.00 H new ATOM 534 N GLU A 38 6.122 9.256 -4.162 1.00 0.00 N ATOM 535 CA GLU A 38 7.396 9.813 -4.602 1.00 0.00 C ATOM 536 C GLU A 38 7.326 10.243 -6.065 1.00 0.00 C ATOM 537 O GLU A 38 7.784 11.327 -6.427 1.00 0.00 O ATOM 538 CB GLU A 38 8.517 8.789 -4.413 1.00 0.00 C ATOM 539 CG GLU A 38 9.830 9.198 -5.060 1.00 0.00 C ATOM 540 CD GLU A 38 9.920 8.776 -6.514 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.358 7.715 -6.859 1.00 0.00 O ATOM 542 OE2 GLU A 38 10.553 9.505 -7.306 1.00 0.00 O ATOM 0 H GLU A 38 6.140 8.252 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 38 7.609 10.692 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.680 8.634 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.199 7.833 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.943 10.280 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.657 8.756 -4.505 1.00 0.00 H new ATOM 549 N ASP A 39 6.749 9.386 -6.900 1.00 0.00 N ATOM 550 CA ASP A 39 6.618 9.676 -8.323 1.00 0.00 C ATOM 551 C ASP A 39 5.522 10.708 -8.569 1.00 0.00 C ATOM 552 O ASP A 39 5.533 11.409 -9.580 1.00 0.00 O ATOM 553 CB ASP A 39 6.313 8.395 -9.101 1.00 0.00 C ATOM 554 CG ASP A 39 7.483 7.431 -9.110 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.579 7.833 -9.554 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.303 6.274 -8.676 1.00 0.00 O ATOM 0 H ASP A 39 6.365 8.485 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 39 7.565 10.087 -8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.445 7.904 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.049 8.651 -10.127 1.00 0.00 H new ATOM 561 N GLN A 40 4.577 10.793 -7.637 1.00 0.00 N ATOM 562 CA GLN A 40 3.473 11.738 -7.754 1.00 0.00 C ATOM 563 C GLN A 40 3.888 13.123 -7.270 1.00 0.00 C ATOM 564 O GLN A 40 3.855 14.091 -8.028 1.00 0.00 O ATOM 565 CB GLN A 40 2.266 11.245 -6.955 1.00 0.00 C ATOM 566 CG GLN A 40 1.424 10.218 -7.694 1.00 0.00 C ATOM 567 CD GLN A 40 0.640 10.823 -8.842 1.00 0.00 C ATOM 568 OE1 GLN A 40 0.923 10.556 -10.011 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.351 11.643 -8.515 1.00 0.00 N ATOM 0 H GLN A 40 4.554 10.219 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 40 3.198 11.809 -8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.614 10.810 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.639 12.098 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.072 9.430 -8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.732 9.749 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.550 11.836 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.913 12.080 -9.245 1.00 0.00 H new ATOM 578 N GLN A 41 4.279 13.208 -6.002 1.00 0.00 N ATOM 579 CA GLN A 41 4.699 14.476 -5.416 1.00 0.00 C ATOM 580 C GLN A 41 6.146 14.791 -5.783 1.00 0.00 C ATOM 581 O GLN A 41 6.468 15.915 -6.165 1.00 0.00 O ATOM 582 CB GLN A 41 4.543 14.436 -3.895 1.00 0.00 C ATOM 583 CG GLN A 41 3.146 14.048 -3.437 1.00 0.00 C ATOM 584 CD GLN A 41 2.234 15.247 -3.265 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.787 15.847 -4.243 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.952 15.602 -2.017 1.00 0.00 N ATOM 0 H GLN A 41 4.314 12.415 -5.362 1.00 0.00 H new ATOM 0 HA GLN A 41 4.061 15.263 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.261 13.727 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.791 15.416 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.707 13.364 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.214 13.510 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.344 15.076 -1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.343 16.401 -1.839 1.00 0.00 H new ATOM 595 N GLY A 42 7.013 13.791 -5.662 1.00 0.00 N ATOM 596 CA GLY A 42 8.415 13.983 -5.983 1.00 0.00 C ATOM 597 C GLY A 42 9.326 13.685 -4.809 1.00 0.00 C ATOM 598 O GLY A 42 10.497 13.350 -4.990 1.00 0.00 O ATOM 0 H GLY A 42 6.770 12.852 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.684 13.339 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.572 15.011 -6.309 1.00 0.00 H new ATOM 602 N LEU A 43 8.788 13.808 -3.600 1.00 0.00 N ATOM 603 CA LEU A 43 9.561 13.551 -2.390 1.00 0.00 C ATOM 604 C LEU A 43 10.017 12.096 -2.333 1.00 0.00 C ATOM 605 O LEU A 43 9.255 11.170 -2.610 1.00 0.00 O ATOM 606 CB LEU A 43 8.729 13.884 -1.150 1.00 0.00 C ATOM 607 CG LEU A 43 9.514 14.327 0.086 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.688 15.289 0.926 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.934 13.120 0.912 1.00 0.00 C ATOM 0 H LEU A 43 7.820 14.084 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 43 10.444 14.189 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.025 14.674 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.140 13.006 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 43 10.413 14.846 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.262 15.593 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.438 16.168 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.771 14.796 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.491 13.454 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.048 12.573 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.564 12.467 0.308 1.00 0.00 H new ATOM 621 N PRO A 44 11.290 11.889 -1.965 1.00 0.00 N ATOM 622 CA PRO A 44 11.876 10.550 -1.861 1.00 0.00 C ATOM 623 C PRO A 44 11.305 9.756 -0.690 1.00 0.00 C ATOM 624 O PRO A 44 11.025 10.312 0.372 1.00 0.00 O ATOM 625 CB PRO A 44 13.365 10.830 -1.641 1.00 0.00 C ATOM 626 CG PRO A 44 13.409 12.186 -1.027 1.00 0.00 C ATOM 627 CD PRO A 44 12.255 12.947 -1.620 1.00 0.00 C ATOM 0 HA PRO A 44 11.668 9.945 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.815 10.084 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.916 10.803 -2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.321 12.126 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.355 12.682 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.835 13.658 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.558 13.516 -2.499 1.00 0.00 H new ATOM 635 N LYS A 45 11.135 8.454 -0.891 1.00 0.00 N ATOM 636 CA LYS A 45 10.599 7.582 0.147 1.00 0.00 C ATOM 637 C LYS A 45 11.472 7.626 1.398 1.00 0.00 C ATOM 638 O LYS A 45 10.969 7.760 2.514 1.00 0.00 O ATOM 639 CB LYS A 45 10.497 6.145 -0.367 1.00 0.00 C ATOM 640 CG LYS A 45 9.763 6.023 -1.691 1.00 0.00 C ATOM 641 CD LYS A 45 10.277 4.849 -2.507 1.00 0.00 C ATOM 642 CE LYS A 45 9.932 3.520 -1.851 1.00 0.00 C ATOM 643 NZ LYS A 45 10.849 3.204 -0.722 1.00 0.00 N ATOM 0 H LYS A 45 11.361 7.979 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 45 9.603 7.939 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.501 5.736 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.986 5.537 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.696 5.900 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.883 6.944 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.847 4.884 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.358 4.930 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.905 3.551 -1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.983 2.724 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.162 2.215 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.677 3.833 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.350 3.343 0.180 1.00 0.00 H new ATOM 657 N LYS A 46 12.781 7.513 1.204 1.00 0.00 N ATOM 658 CA LYS A 46 13.725 7.542 2.315 1.00 0.00 C ATOM 659 C LYS A 46 13.439 8.720 3.241 1.00 0.00 C ATOM 660 O LYS A 46 13.872 8.734 4.393 1.00 0.00 O ATOM 661 CB LYS A 46 15.160 7.629 1.790 1.00 0.00 C ATOM 662 CG LYS A 46 15.417 8.848 0.921 1.00 0.00 C ATOM 663 CD LYS A 46 16.899 9.027 0.637 1.00 0.00 C ATOM 664 CE LYS A 46 17.643 9.539 1.861 1.00 0.00 C ATOM 665 NZ LYS A 46 17.668 11.027 1.914 1.00 0.00 N ATOM 0 H LYS A 46 13.213 7.400 0.287 1.00 0.00 H new ATOM 0 HA LYS A 46 13.608 6.619 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.847 7.645 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.383 6.730 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.875 8.747 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.030 9.738 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.327 8.076 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.030 9.726 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.168 9.152 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.665 9.159 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.184 11.336 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.143 11.397 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.694 11.389 1.950 1.00 0.00 H new ATOM 679 N GLN A 47 12.708 9.705 2.729 1.00 0.00 N ATOM 680 CA GLN A 47 12.365 10.887 3.512 1.00 0.00 C ATOM 681 C GLN A 47 10.946 10.782 4.062 1.00 0.00 C ATOM 682 O GLN A 47 10.715 10.999 5.251 1.00 0.00 O ATOM 683 CB GLN A 47 12.501 12.148 2.657 1.00 0.00 C ATOM 684 CG GLN A 47 13.930 12.654 2.542 1.00 0.00 C ATOM 685 CD GLN A 47 14.506 13.084 3.877 1.00 0.00 C ATOM 686 OE1 GLN A 47 14.135 14.126 4.419 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.418 12.283 4.415 1.00 0.00 N ATOM 0 H GLN A 47 12.342 9.708 1.777 1.00 0.00 H new ATOM 0 HA GLN A 47 13.057 10.949 4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.116 11.943 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.879 12.935 3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.556 11.870 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.959 13.496 1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.696 11.429 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.841 12.521 5.312 1.00 0.00 H new ATOM 696 N GLN A 48 10.001 10.449 3.189 1.00 0.00 N ATOM 697 CA GLN A 48 8.605 10.317 3.588 1.00 0.00 C ATOM 698 C GLN A 48 8.424 9.152 4.556 1.00 0.00 C ATOM 699 O GLN A 48 9.038 8.098 4.395 1.00 0.00 O ATOM 700 CB GLN A 48 7.718 10.116 2.358 1.00 0.00 C ATOM 701 CG GLN A 48 7.525 8.657 1.979 1.00 0.00 C ATOM 702 CD GLN A 48 6.969 8.486 0.578 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.891 7.922 0.391 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.704 8.975 -0.414 1.00 0.00 N ATOM 0 H GLN A 48 10.177 10.266 2.201 1.00 0.00 H new ATOM 0 HA GLN A 48 8.309 11.236 4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.743 10.566 2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.157 10.647 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.480 8.137 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.850 8.186 2.694 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.592 9.435 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.381 8.891 -1.378 1.00 0.00 H new ATOM 713 N GLN A 49 7.577 9.351 5.561 1.00 0.00 N ATOM 714 CA GLN A 49 7.317 8.317 6.555 1.00 0.00 C ATOM 715 C GLN A 49 5.872 8.381 7.042 1.00 0.00 C ATOM 716 O GLN A 49 5.474 9.334 7.713 1.00 0.00 O ATOM 717 CB GLN A 49 8.273 8.466 7.740 1.00 0.00 C ATOM 718 CG GLN A 49 8.207 7.310 8.725 1.00 0.00 C ATOM 719 CD GLN A 49 8.826 7.650 10.066 1.00 0.00 C ATOM 720 OE1 GLN A 49 8.813 8.804 10.494 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.373 6.643 10.737 1.00 0.00 N ATOM 0 H GLN A 49 7.060 10.218 5.708 1.00 0.00 H new ATOM 0 HA GLN A 49 7.481 7.347 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.292 8.555 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.045 9.393 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.166 7.022 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.720 6.447 8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.361 5.702 10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.805 6.811 11.646 1.00 0.00 H new ATOM 730 N LEU A 50 5.092 7.363 6.698 1.00 0.00 N ATOM 731 CA LEU A 50 3.691 7.303 7.100 1.00 0.00 C ATOM 732 C LEU A 50 3.539 6.602 8.446 1.00 0.00 C ATOM 733 O LEU A 50 4.108 5.533 8.667 1.00 0.00 O ATOM 734 CB LEU A 50 2.866 6.575 6.037 1.00 0.00 C ATOM 735 CG LEU A 50 2.861 7.204 4.643 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.450 6.180 3.597 1.00 0.00 C ATOM 737 CD2 LEU A 50 1.934 8.410 4.606 1.00 0.00 C ATOM 0 H LEU A 50 5.405 6.568 6.142 1.00 0.00 H new ATOM 0 HA LEU A 50 3.324 8.324 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.240 5.555 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.836 6.509 6.388 1.00 0.00 H new ATOM 0 HG LEU A 50 3.872 7.541 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.452 6.646 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.154 5.348 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.449 5.812 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.943 8.845 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.920 8.098 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.274 9.152 5.328 1.00 0.00 H new ATOM 749 N GLU A 51 2.767 7.210 9.341 1.00 0.00 N ATOM 750 CA GLU A 51 2.540 6.643 10.665 1.00 0.00 C ATOM 751 C GLU A 51 1.082 6.228 10.836 1.00 0.00 C ATOM 752 O GLU A 51 0.184 6.808 10.224 1.00 0.00 O ATOM 753 CB GLU A 51 2.926 7.651 11.749 1.00 0.00 C ATOM 754 CG GLU A 51 4.384 7.565 12.169 1.00 0.00 C ATOM 755 CD GLU A 51 4.927 8.890 12.667 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.710 9.914 11.986 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.570 8.903 13.738 1.00 0.00 O ATOM 0 H GLU A 51 2.288 8.095 9.173 1.00 0.00 H new ATOM 0 HA GLU A 51 3.166 5.756 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.720 8.658 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.295 7.491 12.623 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.488 6.816 12.954 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.982 7.226 11.323 1.00 0.00 H new ATOM 764 N PHE A 52 0.853 5.222 11.673 1.00 0.00 N ATOM 765 CA PHE A 52 -0.495 4.728 11.924 1.00 0.00 C ATOM 766 C PHE A 52 -0.616 4.173 13.341 1.00 0.00 C ATOM 767 O PHE A 52 0.200 3.358 13.770 1.00 0.00 O ATOM 768 CB PHE A 52 -0.863 3.645 10.908 1.00 0.00 C ATOM 769 CG PHE A 52 -2.343 3.422 10.777 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.196 4.483 10.518 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.880 2.153 10.913 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.558 4.281 10.398 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.241 1.944 10.794 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.081 3.010 10.535 1.00 0.00 C ATOM 0 H PHE A 52 1.584 4.733 12.189 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.186 5.564 11.819 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.458 3.919 9.934 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.387 2.709 11.199 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.792 5.479 10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.227 1.316 11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.213 5.116 10.197 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.647 0.949 10.903 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.145 2.850 10.440 1.00 0.00 H new ATOM 784 N GLN A 53 -1.639 4.622 14.061 1.00 0.00 N ATOM 785 CA GLN A 53 -1.866 4.172 15.429 1.00 0.00 C ATOM 786 C GLN A 53 -0.607 4.339 16.273 1.00 0.00 C ATOM 787 O GLN A 53 -0.416 3.640 17.267 1.00 0.00 O ATOM 788 CB GLN A 53 -2.311 2.709 15.440 1.00 0.00 C ATOM 789 CG GLN A 53 -3.737 2.503 14.953 1.00 0.00 C ATOM 790 CD GLN A 53 -4.163 1.049 14.995 1.00 0.00 C ATOM 791 OE1 GLN A 53 -3.575 0.237 15.710 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.192 0.711 14.226 1.00 0.00 N ATOM 0 H GLN A 53 -2.324 5.297 13.720 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.655 4.788 15.861 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.634 2.127 14.814 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.222 2.318 16.454 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.416 3.095 15.567 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.826 2.874 13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.651 1.416 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.524 -0.253 14.213 1.00 0.00 H new ATOM 801 N GLY A 54 0.252 5.271 15.868 1.00 0.00 N ATOM 802 CA GLY A 54 1.483 5.512 16.598 1.00 0.00 C ATOM 803 C GLY A 54 2.497 4.402 16.408 1.00 0.00 C ATOM 804 O GLY A 54 3.296 4.123 17.301 1.00 0.00 O ATOM 0 H GLY A 54 0.117 5.863 15.048 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.917 6.456 16.270 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.258 5.616 17.659 1.00 0.00 H new ATOM 808 N GLN A 55 2.464 3.766 15.241 1.00 0.00 N ATOM 809 CA GLN A 55 3.386 2.678 14.939 1.00 0.00 C ATOM 810 C GLN A 55 3.984 2.843 13.545 1.00 0.00 C ATOM 811 O GLN A 55 3.260 2.953 12.556 1.00 0.00 O ATOM 812 CB GLN A 55 2.670 1.330 15.042 1.00 0.00 C ATOM 813 CG GLN A 55 2.060 0.863 13.731 1.00 0.00 C ATOM 814 CD GLN A 55 1.075 -0.275 13.918 1.00 0.00 C ATOM 815 OE1 GLN A 55 -0.093 -0.168 13.545 1.00 0.00 O ATOM 816 NE2 GLN A 55 1.544 -1.373 14.498 1.00 0.00 N ATOM 0 H GLN A 55 1.809 3.985 14.490 1.00 0.00 H new ATOM 0 HA GLN A 55 4.195 2.708 15.669 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.377 0.578 15.392 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.884 1.402 15.793 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.554 1.701 13.251 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.856 0.543 13.058 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.520 -1.418 14.791 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.929 -2.172 14.650 1.00 0.00 H new ATOM 825 N VAL A 56 5.312 2.861 13.475 1.00 0.00 N ATOM 826 CA VAL A 56 6.008 3.013 12.203 1.00 0.00 C ATOM 827 C VAL A 56 5.786 1.799 11.307 1.00 0.00 C ATOM 828 O VAL A 56 6.289 0.709 11.584 1.00 0.00 O ATOM 829 CB VAL A 56 7.521 3.214 12.411 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.229 3.361 11.074 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.780 4.423 13.298 1.00 0.00 C ATOM 0 H VAL A 56 5.927 2.772 14.284 1.00 0.00 H new ATOM 0 HA VAL A 56 5.595 3.898 11.720 1.00 0.00 H new ATOM 0 HB VAL A 56 7.922 2.333 12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.297 3.502 11.241 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.071 2.462 10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.828 4.224 10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.854 4.551 13.435 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.366 5.315 12.828 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.306 4.271 14.268 1.00 0.00 H new ATOM 841 N LEU A 57 5.031 1.994 10.232 1.00 0.00 N ATOM 842 CA LEU A 57 4.742 0.915 9.294 1.00 0.00 C ATOM 843 C LEU A 57 6.017 0.435 8.608 1.00 0.00 C ATOM 844 O LEU A 57 6.670 1.192 7.890 1.00 0.00 O ATOM 845 CB LEU A 57 3.730 1.382 8.246 1.00 0.00 C ATOM 846 CG LEU A 57 2.548 2.197 8.771 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.669 2.664 7.621 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.737 1.380 9.766 1.00 0.00 C ATOM 0 H LEU A 57 4.608 2.889 9.988 1.00 0.00 H new ATOM 0 HA LEU A 57 4.317 0.082 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.257 1.981 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.340 0.504 7.730 1.00 0.00 H new ATOM 0 HG LEU A 57 2.937 3.076 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.833 3.242 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.255 3.286 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.288 1.798 7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.900 1.976 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.358 0.483 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.371 1.095 10.606 1.00 0.00 H new ATOM 860 N GLN A 58 6.364 -0.828 8.832 1.00 0.00 N ATOM 861 CA GLN A 58 7.560 -1.410 8.234 1.00 0.00 C ATOM 862 C GLN A 58 7.439 -1.460 6.714 1.00 0.00 C ATOM 863 O GLN A 58 6.436 -1.027 6.147 1.00 0.00 O ATOM 864 CB GLN A 58 7.799 -2.816 8.786 1.00 0.00 C ATOM 865 CG GLN A 58 8.668 -2.840 10.033 1.00 0.00 C ATOM 866 CD GLN A 58 9.933 -2.019 9.879 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.472 -1.887 8.780 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.414 -1.461 10.984 1.00 0.00 N ATOM 0 H GLN A 58 5.834 -1.468 9.423 1.00 0.00 H new ATOM 0 HA GLN A 58 8.410 -0.778 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.838 -3.276 9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.269 -3.425 8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.094 -2.461 10.878 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.935 -3.871 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.935 -1.597 11.874 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.263 -0.897 10.943 1.00 0.00 H new ATOM 877 N ASP A 59 8.466 -1.992 6.062 1.00 0.00 N ATOM 878 CA ASP A 59 8.475 -2.100 4.607 1.00 0.00 C ATOM 879 C ASP A 59 8.201 -3.535 4.168 1.00 0.00 C ATOM 880 O ASP A 59 7.574 -3.769 3.135 1.00 0.00 O ATOM 881 CB ASP A 59 9.818 -1.629 4.047 1.00 0.00 C ATOM 882 CG ASP A 59 10.422 -0.503 4.863 1.00 0.00 C ATOM 883 OD1 ASP A 59 10.128 0.672 4.562 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.189 -0.798 5.804 1.00 0.00 O ATOM 0 H ASP A 59 9.303 -2.355 6.517 1.00 0.00 H new ATOM 0 HA ASP A 59 7.684 -1.461 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.513 -2.469 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.683 -1.296 3.018 1.00 0.00 H new ATOM 889 N TRP A 60 8.677 -4.491 4.957 1.00 0.00 N ATOM 890 CA TRP A 60 8.485 -5.904 4.648 1.00 0.00 C ATOM 891 C TRP A 60 7.186 -6.422 5.256 1.00 0.00 C ATOM 892 O TRP A 60 6.923 -7.625 5.249 1.00 0.00 O ATOM 893 CB TRP A 60 9.668 -6.725 5.164 1.00 0.00 C ATOM 894 CG TRP A 60 9.498 -7.186 6.581 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.802 -8.280 7.009 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.032 -6.563 7.754 1.00 0.00 C ATOM 897 NE1 TRP A 60 8.871 -8.375 8.378 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.621 -7.335 8.859 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.820 -5.431 7.979 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.971 -7.007 10.166 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.166 -5.107 9.277 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.743 -5.893 10.357 1.00 0.00 C ATOM 0 H TRP A 60 9.199 -4.314 5.815 1.00 0.00 H new ATOM 0 HA TRP A 60 8.424 -6.009 3.565 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.806 -7.594 4.521 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.576 -6.127 5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.275 -8.969 6.366 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.434 -9.102 8.944 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.153 -4.820 7.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.645 -7.611 11.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.773 -4.233 9.462 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.032 -5.614 11.360 1.00 0.00 H new ATOM 913 N LEU A 61 6.377 -5.508 5.780 1.00 0.00 N ATOM 914 CA LEU A 61 5.105 -5.873 6.392 1.00 0.00 C ATOM 915 C LEU A 61 3.934 -5.433 5.518 1.00 0.00 C ATOM 916 O LEU A 61 3.810 -4.257 5.176 1.00 0.00 O ATOM 917 CB LEU A 61 4.984 -5.244 7.781 1.00 0.00 C ATOM 918 CG LEU A 61 5.516 -6.080 8.945 1.00 0.00 C ATOM 919 CD1 LEU A 61 7.003 -6.350 8.773 1.00 0.00 C ATOM 920 CD2 LEU A 61 5.248 -5.381 10.270 1.00 0.00 C ATOM 0 H LEU A 61 6.580 -4.508 5.793 1.00 0.00 H new ATOM 0 HA LEU A 61 5.075 -6.958 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.512 -4.291 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.933 -5.024 7.968 1.00 0.00 H new ATOM 0 HG LEU A 61 4.993 -7.036 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.364 -6.946 9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.169 -6.894 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.543 -5.404 8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.633 -5.990 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.744 -4.410 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.175 -5.241 10.397 1.00 0.00 H new ATOM 932 N GLY A 62 3.077 -6.384 5.162 1.00 0.00 N ATOM 933 CA GLY A 62 1.926 -6.074 4.334 1.00 0.00 C ATOM 934 C GLY A 62 0.871 -5.283 5.080 1.00 0.00 C ATOM 935 O GLY A 62 0.892 -5.211 6.309 1.00 0.00 O ATOM 0 H GLY A 62 3.159 -7.364 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.252 -5.507 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.487 -7.001 3.965 1.00 0.00 H new ATOM 939 N LEU A 63 -0.055 -4.686 4.337 1.00 0.00 N ATOM 940 CA LEU A 63 -1.123 -3.894 4.935 1.00 0.00 C ATOM 941 C LEU A 63 -1.905 -4.717 5.955 1.00 0.00 C ATOM 942 O LEU A 63 -2.215 -4.240 7.046 1.00 0.00 O ATOM 943 CB LEU A 63 -2.068 -3.374 3.851 1.00 0.00 C ATOM 944 CG LEU A 63 -1.510 -2.274 2.946 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.811 -2.880 1.739 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.621 -1.332 2.504 1.00 0.00 C ATOM 0 H LEU A 63 -0.087 -4.736 3.319 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.669 -3.047 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.368 -4.214 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.970 -2.997 4.333 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.778 -1.699 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.420 -2.083 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.011 -3.513 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.522 -3.479 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.206 -0.556 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.376 -1.893 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.078 -0.871 3.380 1.00 0.00 H new ATOM 958 N GLY A 64 -2.220 -5.956 5.591 1.00 0.00 N ATOM 959 CA GLY A 64 -2.961 -6.826 6.486 1.00 0.00 C ATOM 960 C GLY A 64 -2.210 -7.111 7.771 1.00 0.00 C ATOM 961 O GLY A 64 -2.798 -7.114 8.853 1.00 0.00 O ATOM 0 H GLY A 64 -1.976 -6.373 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.920 -6.366 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.176 -7.766 5.978 1.00 0.00 H new ATOM 965 N ILE A 65 -0.909 -7.353 7.653 1.00 0.00 N ATOM 966 CA ILE A 65 -0.077 -7.641 8.815 1.00 0.00 C ATOM 967 C ILE A 65 -0.359 -6.661 9.949 1.00 0.00 C ATOM 968 O ILE A 65 -0.337 -7.031 11.123 1.00 0.00 O ATOM 969 CB ILE A 65 1.421 -7.584 8.463 1.00 0.00 C ATOM 970 CG1 ILE A 65 1.826 -8.824 7.663 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.258 -7.466 9.728 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.479 -8.735 6.194 1.00 0.00 C ATOM 0 H ILE A 65 -0.408 -7.355 6.764 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.327 -8.651 9.140 1.00 0.00 H new ATOM 0 HB ILE A 65 1.602 -6.703 7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.900 -8.978 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.336 -9.699 8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.315 -7.427 9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.984 -6.556 10.262 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.076 -8.330 10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.795 -9.648 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.402 -8.612 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.990 -7.880 5.751 1.00 0.00 H new ATOM 984 N TYR A 66 -0.625 -5.410 9.590 1.00 0.00 N ATOM 985 CA TYR A 66 -0.911 -4.376 10.577 1.00 0.00 C ATOM 986 C TYR A 66 -2.404 -4.316 10.888 1.00 0.00 C ATOM 987 O TYR A 66 -2.804 -4.167 12.041 1.00 0.00 O ATOM 988 CB TYR A 66 -0.429 -3.014 10.075 1.00 0.00 C ATOM 989 CG TYR A 66 1.048 -2.775 10.296 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.632 -3.013 11.533 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.858 -2.312 9.266 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.981 -2.796 11.739 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.208 -2.093 9.463 1.00 0.00 C ATOM 994 CZ TYR A 66 3.764 -2.335 10.702 1.00 0.00 C ATOM 995 OH TYR A 66 5.108 -2.119 10.903 1.00 0.00 O ATOM 0 H TYR A 66 -0.648 -5.088 8.623 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.377 -4.628 11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.647 -2.931 9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.995 -2.230 10.578 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.022 -3.374 12.348 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.425 -2.120 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.420 -2.987 12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.824 -1.734 8.652 1.00 0.00 H new ATOM 0 HH TYR A 66 5.389 -2.556 11.734 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.223 -4.436 9.847 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.663 -4.394 10.028 1.00 0.00 C ATOM 1007 C GLY A 67 -5.258 -3.059 9.629 1.00 0.00 C ATOM 1008 O GLY A 67 -6.211 -2.587 10.250 1.00 0.00 O ATOM 0 H GLY A 67 -2.915 -4.561 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.124 -5.185 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.901 -4.597 11.072 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.696 -2.448 8.592 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.178 -1.159 8.112 1.00 0.00 C ATOM 1014 C ILE A 68 -6.553 -1.291 7.466 1.00 0.00 C ATOM 1015 O ILE A 68 -6.852 -2.296 6.822 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.203 -0.537 7.095 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.855 -0.247 7.758 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.793 0.736 6.505 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.805 0.261 6.795 1.00 0.00 C ATOM 0 H ILE A 68 -3.906 -2.825 8.068 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.250 -0.506 8.982 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.043 -1.250 6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.999 0.490 8.548 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.490 -1.157 8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.092 1.164 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.731 0.503 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.979 1.455 7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.876 0.445 7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.632 -0.484 6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.149 1.189 6.338 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.384 -0.270 7.643 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.728 -0.272 7.076 1.00 0.00 C ATOM 1033 C GLN A 69 -8.802 0.627 5.847 1.00 0.00 C ATOM 1034 O GLN A 69 -8.057 1.601 5.732 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.746 0.188 8.121 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.972 -0.821 9.236 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.730 -0.233 10.410 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.176 0.913 10.364 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -10.881 -1.018 11.470 1.00 0.00 N ATOM 0 H GLN A 69 -7.151 0.569 8.174 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.965 -1.292 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.408 1.128 8.556 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.696 0.389 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.524 -1.674 8.842 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.009 -1.197 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.495 -1.962 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.384 -0.677 12.290 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.704 0.295 4.930 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.875 1.073 3.709 1.00 0.00 C ATOM 1050 C ASP A 70 -10.430 2.459 4.021 1.00 0.00 C ATOM 1051 O ASP A 70 -11.118 2.652 5.024 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.808 0.343 2.740 1.00 0.00 C ATOM 1053 CG ASP A 70 -11.419 1.275 1.712 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -10.744 1.571 0.704 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -12.572 1.707 1.916 1.00 0.00 O ATOM 0 H ASP A 70 -10.328 -0.508 5.009 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.897 1.189 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.253 -0.443 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.604 -0.144 3.304 1.00 0.00 H new ATOM 1060 N SER A 71 -10.125 3.422 3.157 1.00 0.00 N ATOM 1061 CA SER A 71 -10.589 4.791 3.343 1.00 0.00 C ATOM 1062 C SER A 71 -10.063 5.370 4.653 1.00 0.00 C ATOM 1063 O SER A 71 -10.715 6.203 5.283 1.00 0.00 O ATOM 1064 CB SER A 71 -12.118 4.841 3.328 1.00 0.00 C ATOM 1065 OG SER A 71 -12.632 4.369 2.095 1.00 0.00 O ATOM 0 H SER A 71 -9.558 3.279 2.321 1.00 0.00 H new ATOM 0 HA SER A 71 -10.205 5.393 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.513 4.237 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.453 5.864 3.497 1.00 0.00 H new ATOM 0 HG SER A 71 -12.588 3.390 2.075 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.879 4.922 5.056 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.263 5.395 6.290 1.00 0.00 C ATOM 1073 C ASP A 72 -7.424 6.643 6.035 1.00 0.00 C ATOM 1074 O ASP A 72 -7.221 7.045 4.889 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.393 4.297 6.904 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.174 3.983 6.058 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.297 3.164 5.124 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -5.098 4.556 6.331 1.00 0.00 O ATOM 0 H ASP A 72 -8.327 4.232 4.546 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.059 5.651 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.072 4.606 7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.988 3.392 7.028 1.00 0.00 H new ATOM 1083 N THR A 73 -6.939 7.255 7.111 1.00 0.00 N ATOM 1084 CA THR A 73 -6.124 8.459 7.005 1.00 0.00 C ATOM 1085 C THR A 73 -4.708 8.211 7.512 1.00 0.00 C ATOM 1086 O THR A 73 -4.514 7.699 8.615 1.00 0.00 O ATOM 1087 CB THR A 73 -6.743 9.628 7.794 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.056 9.913 7.298 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.874 10.872 7.689 1.00 0.00 C ATOM 0 H THR A 73 -7.097 6.936 8.067 1.00 0.00 H new ATOM 0 HA THR A 73 -6.087 8.723 5.948 1.00 0.00 H new ATOM 0 HB THR A 73 -6.807 9.337 8.842 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.443 10.656 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.331 11.684 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.885 10.660 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.782 11.165 6.643 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.722 8.577 6.701 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.322 8.396 7.069 1.00 0.00 C ATOM 1099 C LEU A 74 -1.585 9.731 7.082 1.00 0.00 C ATOM 1100 O LEU A 74 -1.686 10.516 6.139 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.640 7.433 6.095 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.323 6.079 5.900 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.813 5.401 4.638 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.099 5.189 7.114 1.00 0.00 C ATOM 0 H LEU A 74 -3.866 9.001 5.784 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.287 7.974 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.565 7.923 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.622 7.257 6.443 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.394 6.246 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.310 4.439 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.026 6.032 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.737 5.246 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.592 4.230 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.030 5.029 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.514 5.670 8.000 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.842 9.980 8.156 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.085 11.218 8.290 1.00 0.00 C ATOM 1118 C ILE A 75 1.253 11.126 7.563 1.00 0.00 C ATOM 1119 O ILE A 75 1.949 10.114 7.648 1.00 0.00 O ATOM 1120 CB ILE A 75 0.169 11.565 9.768 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.154 11.836 10.486 1.00 0.00 C ATOM 1122 CG2 ILE A 75 1.094 12.769 9.879 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -1.906 13.029 9.939 1.00 0.00 C ATOM 0 H ILE A 75 -0.749 9.341 8.945 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.687 12.007 7.839 1.00 0.00 H new ATOM 0 HB ILE A 75 0.653 10.714 10.247 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.787 10.952 10.410 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.956 11.996 11.546 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.264 13.002 10.930 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.046 12.542 9.399 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.635 13.627 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.834 13.161 10.496 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.292 13.924 10.040 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.135 12.863 8.886 1.00 0.00 H new ATOM 1135 N LEU A 76 1.607 12.190 6.851 1.00 0.00 N ATOM 1136 CA LEU A 76 2.863 12.231 6.111 1.00 0.00 C ATOM 1137 C LEU A 76 3.860 13.172 6.780 1.00 0.00 C ATOM 1138 O LEU A 76 3.572 14.351 6.987 1.00 0.00 O ATOM 1139 CB LEU A 76 2.614 12.677 4.669 1.00 0.00 C ATOM 1140 CG LEU A 76 3.843 13.144 3.888 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.720 11.959 3.514 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.424 13.913 2.644 1.00 0.00 C ATOM 0 H LEU A 76 1.042 13.036 6.771 1.00 0.00 H new ATOM 0 HA LEU A 76 3.286 11.226 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.158 11.848 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.887 13.489 4.682 1.00 0.00 H new ATOM 0 HG LEU A 76 4.422 13.812 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.590 12.311 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.049 11.450 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.150 11.266 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.311 14.238 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.822 13.269 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.838 14.785 2.935 1.00 0.00 H new ATOM 1154 N SER A 77 5.032 12.643 7.115 1.00 0.00 N ATOM 1155 CA SER A 77 6.071 13.435 7.763 1.00 0.00 C ATOM 1156 C SER A 77 7.457 12.989 7.308 1.00 0.00 C ATOM 1157 O SER A 77 7.801 11.810 7.387 1.00 0.00 O ATOM 1158 CB SER A 77 5.958 13.317 9.284 1.00 0.00 C ATOM 1159 OG SER A 77 4.688 13.753 9.737 1.00 0.00 O ATOM 0 H SER A 77 5.286 11.669 6.949 1.00 0.00 H new ATOM 0 HA SER A 77 5.931 14.477 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.119 12.282 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.740 13.911 9.757 1.00 0.00 H new ATOM 0 HG SER A 77 4.641 13.666 10.712 1.00 0.00 H new ATOM 1165 N LYS A 78 8.251 13.942 6.830 1.00 0.00 N ATOM 1166 CA LYS A 78 9.601 13.650 6.363 1.00 0.00 C ATOM 1167 C LYS A 78 10.515 13.292 7.530 1.00 0.00 C ATOM 1168 O LYS A 78 10.304 13.739 8.658 1.00 0.00 O ATOM 1169 CB LYS A 78 10.171 14.852 5.605 1.00 0.00 C ATOM 1170 CG LYS A 78 10.455 16.051 6.491 1.00 0.00 C ATOM 1171 CD LYS A 78 10.968 17.232 5.684 1.00 0.00 C ATOM 1172 CE LYS A 78 12.371 16.979 5.155 1.00 0.00 C ATOM 1173 NZ LYS A 78 12.993 18.219 4.615 1.00 0.00 N ATOM 0 H LYS A 78 7.982 14.923 6.756 1.00 0.00 H new ATOM 0 HA LYS A 78 9.549 12.794 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.093 14.553 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.468 15.146 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.546 16.338 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.191 15.779 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.293 17.425 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.969 18.127 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.994 16.579 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.333 16.222 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.948 18.004 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.413 18.587 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.053 18.934 5.368 1.00 0.00 H new ATOM 1187 N LYS A 79 11.534 12.485 7.252 1.00 0.00 N ATOM 1188 CA LYS A 79 12.483 12.069 8.277 1.00 0.00 C ATOM 1189 C LYS A 79 13.324 13.249 8.751 1.00 0.00 C ATOM 1190 O LYS A 79 14.094 13.825 7.982 1.00 0.00 O ATOM 1191 CB LYS A 79 13.393 10.962 7.739 1.00 0.00 C ATOM 1192 CG LYS A 79 12.639 9.818 7.086 1.00 0.00 C ATOM 1193 CD LYS A 79 13.378 8.499 7.246 1.00 0.00 C ATOM 1194 CE LYS A 79 12.466 7.313 6.974 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.237 6.055 6.775 1.00 0.00 N ATOM 0 H LYS A 79 11.723 12.106 6.324 1.00 0.00 H new ATOM 0 HA LYS A 79 11.918 11.685 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.084 11.392 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.995 10.568 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.646 9.736 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.499 10.031 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.227 8.471 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.780 8.426 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.775 7.187 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.864 7.514 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.580 5.270 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.878 6.166 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.792 5.849 7.630 1.00 0.00 H new