USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 18 SER OG : rot 56:sc= -0.383 USER MOD Set 1.2: A 19 HIS : no HD1:sc= -0.444 K(o=-0.83,f=-13!) USER MOD Set 2.1: A 2 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0012 K(o=-0.0012,f=-1.6!) USER MOD Single : A 7 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.8!) USER MOD Single : A 13 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.4) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 3:sc= -0.571! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.52! C(o=-3.3!,f=-1.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 0.00563 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -3.79! C(o=-3.8!,f=-9.5!) USER MOD Single : A 45 SER OG : rot -151:sc= -0.225 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.961 6.634 20.179 1.00 0.00 N ATOM 2 CA GLY A 1 10.317 5.500 21.079 1.00 0.00 C ATOM 3 C GLY A 1 9.511 4.262 20.683 1.00 0.00 C ATOM 4 O GLY A 1 9.864 3.544 19.768 1.00 0.00 O ATOM 0 H1 GLY A 1 10.509 7.476 20.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.180 6.378 19.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.945 6.840 20.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.384 5.289 21.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.110 5.766 22.116 1.00 0.00 H new ATOM 10 N SER A 2 8.428 4.005 21.364 1.00 0.00 N ATOM 11 CA SER A 2 7.599 2.812 21.026 1.00 0.00 C ATOM 12 C SER A 2 6.120 3.199 20.952 1.00 0.00 C ATOM 13 O SER A 2 5.359 2.919 21.858 1.00 0.00 O ATOM 14 CB SER A 2 7.840 1.826 22.170 1.00 0.00 C ATOM 15 OG SER A 2 6.987 0.702 22.013 1.00 0.00 O ATOM 0 H SER A 2 8.081 4.569 22.140 1.00 0.00 H new ATOM 0 HA SER A 2 7.863 2.386 20.058 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.882 1.507 22.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.649 2.310 23.128 1.00 0.00 H new ATOM 0 HG SER A 2 6.899 0.236 22.871 1.00 0.00 H new ATOM 21 N PRO A 3 5.764 3.833 19.869 1.00 0.00 N ATOM 22 CA PRO A 3 4.346 4.250 19.709 1.00 0.00 C ATOM 23 C PRO A 3 3.407 3.122 20.147 1.00 0.00 C ATOM 24 O PRO A 3 3.706 1.956 19.989 1.00 0.00 O ATOM 25 CB PRO A 3 4.207 4.520 18.215 1.00 0.00 C ATOM 26 CG PRO A 3 5.270 3.690 17.577 1.00 0.00 C ATOM 27 CD PRO A 3 6.402 3.597 18.565 1.00 0.00 C ATOM 0 HA PRO A 3 4.088 5.118 20.315 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.217 4.242 17.853 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.343 5.578 17.990 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.890 2.699 17.330 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.607 4.143 16.645 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.883 2.620 18.528 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.173 4.340 18.359 1.00 0.00 H new ATOM 35 N LEU A 4 2.273 3.462 20.698 1.00 0.00 N ATOM 36 CA LEU A 4 1.318 2.409 21.145 1.00 0.00 C ATOM 37 C LEU A 4 0.096 2.375 20.223 1.00 0.00 C ATOM 38 O LEU A 4 -0.606 3.355 20.070 1.00 0.00 O ATOM 39 CB LEU A 4 0.909 2.820 22.561 1.00 0.00 C ATOM 40 CG LEU A 4 -0.029 1.763 23.147 1.00 0.00 C ATOM 41 CD1 LEU A 4 0.775 0.510 23.502 1.00 0.00 C ATOM 42 CD2 LEU A 4 -0.694 2.317 24.409 1.00 0.00 C ATOM 0 H LEU A 4 1.967 4.422 20.857 1.00 0.00 H new ATOM 0 HA LEU A 4 1.761 1.414 21.121 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.793 2.926 23.190 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.413 3.791 22.541 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.795 1.508 22.414 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.108 -0.244 23.920 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.251 0.116 22.604 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.540 0.764 24.236 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.363 1.565 24.828 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.072 2.571 25.142 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.265 3.211 24.157 1.00 0.00 H new ATOM 54 N GLN A 5 -0.162 1.255 19.607 1.00 0.00 N ATOM 55 CA GLN A 5 -1.337 1.159 18.695 1.00 0.00 C ATOM 56 C GLN A 5 -2.301 0.076 19.187 1.00 0.00 C ATOM 57 O GLN A 5 -1.939 -0.781 19.969 1.00 0.00 O ATOM 58 CB GLN A 5 -0.754 0.780 17.334 1.00 0.00 C ATOM 59 CG GLN A 5 0.244 1.852 16.892 1.00 0.00 C ATOM 60 CD GLN A 5 0.889 1.434 15.568 1.00 0.00 C ATOM 61 OE1 GLN A 5 0.890 0.270 15.220 1.00 0.00 O ATOM 62 NE2 GLN A 5 1.441 2.343 14.811 1.00 0.00 N ATOM 0 H GLN A 5 0.390 0.402 19.695 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.902 2.090 18.650 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.260 -0.190 17.395 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.552 0.685 16.598 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.263 2.810 16.775 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.010 1.988 17.655 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.440 3.320 15.104 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.874 2.076 13.927 1.00 0.00 H new ATOM 71 N ASP A 6 -3.525 0.107 18.735 1.00 0.00 N ATOM 72 CA ASP A 6 -4.510 -0.921 19.179 1.00 0.00 C ATOM 73 C ASP A 6 -4.120 -2.297 18.633 1.00 0.00 C ATOM 74 O ASP A 6 -4.388 -3.316 19.239 1.00 0.00 O ATOM 75 CB ASP A 6 -5.846 -0.470 18.590 1.00 0.00 C ATOM 76 CG ASP A 6 -6.227 0.891 19.175 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.674 1.249 20.201 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.066 1.553 18.586 1.00 0.00 O ATOM 0 H ASP A 6 -3.886 0.799 18.078 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.553 -1.010 20.264 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.773 -0.404 17.504 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.620 -1.204 18.813 1.00 0.00 H new ATOM 83 N ASN A 7 -3.489 -2.337 17.490 1.00 0.00 N ATOM 84 CA ASN A 7 -3.084 -3.648 16.907 1.00 0.00 C ATOM 85 C ASN A 7 -1.702 -4.055 17.426 1.00 0.00 C ATOM 86 O ASN A 7 -1.278 -5.183 17.268 1.00 0.00 O ATOM 87 CB ASN A 7 -3.043 -3.413 15.397 1.00 0.00 C ATOM 88 CG ASN A 7 -4.468 -3.421 14.841 1.00 0.00 C ATOM 89 OD1 ASN A 7 -5.417 -3.613 15.575 1.00 0.00 O ATOM 90 ND2 ASN A 7 -4.659 -3.217 13.566 1.00 0.00 N ATOM 0 H ASN A 7 -3.237 -1.519 16.935 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.771 -4.450 17.176 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.562 -2.460 15.179 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.448 -4.188 14.914 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.605 -3.219 13.185 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.862 -3.056 12.950 1.00 0.00 H new ATOM 97 N LEU A 8 -0.998 -3.148 18.046 1.00 0.00 N ATOM 98 CA LEU A 8 0.354 -3.487 18.573 1.00 0.00 C ATOM 99 C LEU A 8 0.231 -4.411 19.787 1.00 0.00 C ATOM 100 O LEU A 8 -0.676 -4.286 20.586 1.00 0.00 O ATOM 101 CB LEU A 8 0.971 -2.147 18.979 1.00 0.00 C ATOM 102 CG LEU A 8 2.348 -2.387 19.601 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.327 -2.837 18.515 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.852 -1.091 20.238 1.00 0.00 C ATOM 0 H LEU A 8 -1.300 -2.188 18.210 1.00 0.00 H new ATOM 0 HA LEU A 8 0.965 -4.009 17.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.062 -1.498 18.108 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.322 -1.637 19.691 1.00 0.00 H new ATOM 0 HG LEU A 8 2.272 -3.161 20.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.308 -3.008 18.958 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.968 -3.761 18.061 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.404 -2.063 17.751 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.833 -1.261 20.681 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.928 -0.316 19.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.155 -0.771 21.012 1.00 0.00 H new ATOM 116 N VAL A 9 1.138 -5.339 19.932 1.00 0.00 N ATOM 117 CA VAL A 9 1.071 -6.272 21.094 1.00 0.00 C ATOM 118 C VAL A 9 2.462 -6.826 21.410 1.00 0.00 C ATOM 119 O VAL A 9 3.411 -6.603 20.684 1.00 0.00 O ATOM 120 CB VAL A 9 0.140 -7.402 20.652 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.312 -6.925 20.714 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.482 -7.817 19.219 1.00 0.00 C ATOM 0 H VAL A 9 1.922 -5.492 19.297 1.00 0.00 H new ATOM 0 HA VAL A 9 0.710 -5.775 21.995 1.00 0.00 H new ATOM 0 HB VAL A 9 0.268 -8.256 21.317 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.974 -7.732 20.399 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.556 -6.634 21.736 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.442 -6.069 20.052 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.182 -8.622 18.905 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.357 -6.963 18.553 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.515 -8.162 19.177 1.00 0.00 H new ATOM 132 N ILE A 10 2.587 -7.553 22.485 1.00 0.00 N ATOM 133 CA ILE A 10 3.911 -8.131 22.847 1.00 0.00 C ATOM 134 C ILE A 10 3.831 -9.659 22.833 1.00 0.00 C ATOM 135 O ILE A 10 2.839 -10.239 23.225 1.00 0.00 O ATOM 136 CB ILE A 10 4.196 -7.620 24.260 1.00 0.00 C ATOM 137 CG1 ILE A 10 4.072 -6.096 24.286 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.613 -8.023 24.673 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.186 -5.599 25.729 1.00 0.00 C ATOM 0 H ILE A 10 1.828 -7.772 23.130 1.00 0.00 H new ATOM 0 HA ILE A 10 4.696 -7.843 22.148 1.00 0.00 H new ATOM 0 HB ILE A 10 3.478 -8.055 24.955 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.853 -5.646 23.673 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.116 -5.791 23.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.816 -7.659 25.680 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.702 -9.109 24.655 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.332 -7.589 23.978 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.098 -4.513 25.748 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.389 -6.038 26.329 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.153 -5.892 26.139 1.00 0.00 H new ATOM 151 N ALA A 11 4.863 -10.317 22.381 1.00 0.00 N ATOM 152 CA ALA A 11 4.833 -11.806 22.342 1.00 0.00 C ATOM 153 C ALA A 11 5.100 -12.378 23.736 1.00 0.00 C ATOM 154 O ALA A 11 6.180 -12.247 24.274 1.00 0.00 O ATOM 155 CB ALA A 11 5.954 -12.198 21.379 1.00 0.00 C ATOM 0 H ALA A 11 5.723 -9.889 22.038 1.00 0.00 H new ATOM 0 HA ALA A 11 3.865 -12.191 22.021 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.998 -13.284 21.295 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.758 -11.766 20.398 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.906 -11.824 21.757 1.00 0.00 H new ATOM 161 N LEU A 12 4.128 -13.021 24.324 1.00 0.00 N ATOM 162 CA LEU A 12 4.341 -13.606 25.678 1.00 0.00 C ATOM 163 C LEU A 12 5.362 -14.741 25.590 1.00 0.00 C ATOM 164 O LEU A 12 6.055 -15.046 26.540 1.00 0.00 O ATOM 165 CB LEU A 12 2.973 -14.142 26.102 1.00 0.00 C ATOM 166 CG LEU A 12 2.109 -12.987 26.611 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.559 -12.198 25.422 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.945 -13.547 27.433 1.00 0.00 C ATOM 0 H LEU A 12 3.200 -13.166 23.927 1.00 0.00 H new ATOM 0 HA LEU A 12 4.725 -12.879 26.393 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.485 -14.631 25.259 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.091 -14.894 26.883 1.00 0.00 H new ATOM 0 HG LEU A 12 2.713 -12.329 27.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.943 -11.375 25.785 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.387 -11.800 24.835 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.954 -12.856 24.797 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.328 -12.725 27.797 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.341 -14.205 26.808 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.336 -14.110 28.281 1.00 0.00 H new ATOM 180 N HIS A 13 5.459 -15.365 24.448 1.00 0.00 N ATOM 181 CA HIS A 13 6.435 -16.480 24.280 1.00 0.00 C ATOM 182 C HIS A 13 6.906 -16.541 22.824 1.00 0.00 C ATOM 183 O HIS A 13 6.219 -16.101 21.925 1.00 0.00 O ATOM 184 CB HIS A 13 5.658 -17.743 24.649 1.00 0.00 C ATOM 185 CG HIS A 13 5.342 -17.726 26.119 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.294 -18.017 27.084 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.185 -17.453 26.805 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.699 -17.914 28.285 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.412 -17.573 28.174 1.00 0.00 N ATOM 0 H HIS A 13 4.902 -15.150 23.621 1.00 0.00 H new ATOM 0 HA HIS A 13 7.323 -16.357 24.900 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.737 -17.799 24.069 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.244 -18.628 24.402 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.242 -17.186 26.352 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.201 -18.086 29.226 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.741 -17.431 28.929 1.00 0.00 H new ATOM 197 N SER A 14 8.066 -17.083 22.581 1.00 0.00 N ATOM 198 CA SER A 14 8.565 -17.166 21.178 1.00 0.00 C ATOM 199 C SER A 14 7.716 -18.155 20.377 1.00 0.00 C ATOM 200 O SER A 14 7.290 -19.173 20.887 1.00 0.00 O ATOM 201 CB SER A 14 10.004 -17.670 21.298 1.00 0.00 C ATOM 202 OG SER A 14 9.995 -19.054 21.610 1.00 0.00 O ATOM 0 H SER A 14 8.689 -17.471 23.289 1.00 0.00 H new ATOM 0 HA SER A 14 8.512 -16.207 20.662 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.539 -17.500 20.364 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.532 -17.115 22.073 1.00 0.00 H new ATOM 0 HG SER A 14 10.917 -19.378 21.685 1.00 0.00 H new ATOM 208 N TYR A 15 7.464 -17.872 19.126 1.00 0.00 N ATOM 209 CA TYR A 15 6.642 -18.810 18.310 1.00 0.00 C ATOM 210 C TYR A 15 7.541 -19.652 17.399 1.00 0.00 C ATOM 211 O TYR A 15 8.696 -19.338 17.186 1.00 0.00 O ATOM 212 CB TYR A 15 5.721 -17.920 17.476 1.00 0.00 C ATOM 213 CG TYR A 15 4.837 -18.792 16.617 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.659 -19.328 17.147 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.197 -19.070 15.292 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.839 -20.142 16.355 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.379 -19.882 14.500 1.00 0.00 C ATOM 218 CZ TYR A 15 3.199 -20.419 15.031 1.00 0.00 C ATOM 219 OH TYR A 15 2.393 -21.219 14.249 1.00 0.00 O ATOM 0 H TYR A 15 7.790 -17.038 18.638 1.00 0.00 H new ATOM 0 HA TYR A 15 6.079 -19.505 18.933 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.112 -17.294 18.128 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.311 -17.250 16.850 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.381 -19.114 18.168 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.107 -18.657 14.882 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.930 -20.556 16.766 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.657 -20.095 13.478 1.00 0.00 H new ATOM 0 HH TYR A 15 1.591 -21.469 14.754 1.00 0.00 H new ATOM 229 N GLU A 16 7.017 -20.718 16.858 1.00 0.00 N ATOM 230 CA GLU A 16 7.835 -21.581 15.958 1.00 0.00 C ATOM 231 C GLU A 16 7.224 -21.607 14.555 1.00 0.00 C ATOM 232 O GLU A 16 6.042 -21.842 14.397 1.00 0.00 O ATOM 233 CB GLU A 16 7.787 -22.971 16.591 1.00 0.00 C ATOM 234 CG GLU A 16 8.081 -22.861 18.089 1.00 0.00 C ATOM 235 CD GLU A 16 9.401 -22.116 18.296 1.00 0.00 C ATOM 236 OE1 GLU A 16 10.416 -22.611 17.837 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.373 -21.063 18.912 1.00 0.00 O ATOM 0 H GLU A 16 6.056 -21.029 17.001 1.00 0.00 H new ATOM 0 HA GLU A 16 8.857 -21.218 15.852 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.806 -23.420 16.434 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.517 -23.625 16.114 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.271 -22.333 18.592 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.138 -23.855 18.533 1.00 0.00 H new ATOM 244 N PRO A 17 8.053 -21.357 13.580 1.00 0.00 N ATOM 245 CA PRO A 17 7.547 -21.355 12.184 1.00 0.00 C ATOM 246 C PRO A 17 7.462 -22.783 11.642 1.00 0.00 C ATOM 247 O PRO A 17 8.341 -23.243 10.940 1.00 0.00 O ATOM 248 CB PRO A 17 8.586 -20.548 11.414 1.00 0.00 C ATOM 249 CG PRO A 17 9.843 -20.683 12.209 1.00 0.00 C ATOM 250 CD PRO A 17 9.439 -20.870 13.647 1.00 0.00 C ATOM 0 HA PRO A 17 6.545 -20.935 12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.715 -20.933 10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.287 -19.504 11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.430 -21.533 11.860 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.467 -19.797 12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.087 -21.586 14.151 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.505 -19.934 14.203 1.00 0.00 H new ATOM 258 N SER A 18 6.411 -23.489 11.958 1.00 0.00 N ATOM 259 CA SER A 18 6.274 -24.885 11.454 1.00 0.00 C ATOM 260 C SER A 18 5.782 -24.874 10.005 1.00 0.00 C ATOM 261 O SER A 18 5.633 -25.906 9.380 1.00 0.00 O ATOM 262 CB SER A 18 5.236 -25.536 12.370 1.00 0.00 C ATOM 263 OG SER A 18 3.959 -24.970 12.114 1.00 0.00 O ATOM 0 H SER A 18 5.642 -23.160 12.542 1.00 0.00 H new ATOM 0 HA SER A 18 7.221 -25.425 11.464 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.209 -26.612 12.200 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.510 -25.385 13.414 1.00 0.00 H new ATOM 0 HG SER A 18 3.743 -25.066 11.163 1.00 0.00 H new ATOM 269 N HIS A 19 5.528 -23.713 9.464 1.00 0.00 N ATOM 270 CA HIS A 19 5.048 -23.632 8.055 1.00 0.00 C ATOM 271 C HIS A 19 5.632 -22.395 7.370 1.00 0.00 C ATOM 272 O HIS A 19 6.416 -21.668 7.945 1.00 0.00 O ATOM 273 CB HIS A 19 3.526 -23.519 8.160 1.00 0.00 C ATOM 274 CG HIS A 19 2.954 -24.832 8.615 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.787 -25.142 9.956 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.505 -25.928 7.919 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.256 -26.377 10.024 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.065 -26.901 8.811 1.00 0.00 N ATOM 0 H HIS A 19 5.632 -22.816 9.938 1.00 0.00 H new ATOM 0 HA HIS A 19 5.352 -24.496 7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.257 -22.730 8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.104 -23.242 7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.495 -26.020 6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.014 -26.882 10.947 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.679 -27.818 8.586 1.00 0.00 H new ATOM 286 N ASP A 20 5.253 -22.149 6.146 1.00 0.00 N ATOM 287 CA ASP A 20 5.786 -20.957 5.426 1.00 0.00 C ATOM 288 C ASP A 20 4.844 -19.764 5.615 1.00 0.00 C ATOM 289 O ASP A 20 3.647 -19.876 5.441 1.00 0.00 O ATOM 290 CB ASP A 20 5.841 -21.372 3.956 1.00 0.00 C ATOM 291 CG ASP A 20 6.420 -20.226 3.123 1.00 0.00 C ATOM 292 OD1 ASP A 20 6.928 -19.287 3.714 1.00 0.00 O ATOM 293 OD2 ASP A 20 6.347 -20.307 1.908 1.00 0.00 O ATOM 0 H ASP A 20 4.598 -22.721 5.613 1.00 0.00 H new ATOM 0 HA ASP A 20 6.764 -20.652 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.456 -22.265 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.842 -21.625 3.601 1.00 0.00 H new ATOM 298 N GLY A 21 5.373 -18.625 5.969 1.00 0.00 N ATOM 299 CA GLY A 21 4.504 -17.432 6.166 1.00 0.00 C ATOM 300 C GLY A 21 4.246 -17.226 7.661 1.00 0.00 C ATOM 301 O GLY A 21 3.639 -16.255 8.067 1.00 0.00 O ATOM 0 H GLY A 21 6.368 -18.470 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.982 -16.548 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.560 -17.566 5.639 1.00 0.00 H new ATOM 305 N ASP A 22 4.701 -18.131 8.485 1.00 0.00 N ATOM 306 CA ASP A 22 4.477 -17.983 9.952 1.00 0.00 C ATOM 307 C ASP A 22 5.620 -17.185 10.586 1.00 0.00 C ATOM 308 O ASP A 22 6.710 -17.113 10.056 1.00 0.00 O ATOM 309 CB ASP A 22 4.455 -19.411 10.496 1.00 0.00 C ATOM 310 CG ASP A 22 3.087 -20.039 10.226 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.458 -19.647 9.256 1.00 0.00 O ATOM 312 OD2 ASP A 22 2.689 -20.899 10.994 1.00 0.00 O ATOM 0 H ASP A 22 5.217 -18.965 8.206 1.00 0.00 H new ATOM 0 HA ASP A 22 3.555 -17.447 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.239 -20.003 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.660 -19.407 11.567 1.00 0.00 H new ATOM 317 N LEU A 23 5.377 -16.587 11.720 1.00 0.00 N ATOM 318 CA LEU A 23 6.448 -15.796 12.393 1.00 0.00 C ATOM 319 C LEU A 23 6.819 -16.444 13.729 1.00 0.00 C ATOM 320 O LEU A 23 5.995 -16.588 14.610 1.00 0.00 O ATOM 321 CB LEU A 23 5.837 -14.412 12.615 1.00 0.00 C ATOM 322 CG LEU A 23 6.911 -13.461 13.150 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.094 -13.430 12.179 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.325 -12.055 13.283 1.00 0.00 C ATOM 0 H LEU A 23 4.483 -16.612 12.210 1.00 0.00 H new ATOM 0 HA LEU A 23 7.362 -15.745 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.429 -14.028 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.009 -14.477 13.321 1.00 0.00 H new ATOM 0 HG LEU A 23 7.250 -13.808 14.126 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.859 -12.753 12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.512 -14.432 12.082 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.755 -13.083 11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.089 -11.377 13.664 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.986 -11.708 12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.482 -12.076 13.973 1.00 0.00 H new ATOM 336 N GLY A 24 8.055 -16.834 13.887 1.00 0.00 N ATOM 337 CA GLY A 24 8.478 -17.473 15.165 1.00 0.00 C ATOM 338 C GLY A 24 9.141 -16.428 16.065 1.00 0.00 C ATOM 339 O GLY A 24 10.204 -16.650 16.610 1.00 0.00 O ATOM 0 H GLY A 24 8.790 -16.738 13.186 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.615 -17.907 15.669 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.173 -18.288 14.963 1.00 0.00 H new ATOM 343 N PHE A 25 8.526 -15.289 16.221 1.00 0.00 N ATOM 344 CA PHE A 25 9.116 -14.221 17.078 1.00 0.00 C ATOM 345 C PHE A 25 9.540 -14.773 18.442 1.00 0.00 C ATOM 346 O PHE A 25 9.296 -15.918 18.766 1.00 0.00 O ATOM 347 CB PHE A 25 7.988 -13.199 17.247 1.00 0.00 C ATOM 348 CG PHE A 25 6.764 -13.881 17.824 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.812 -14.458 16.972 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.580 -13.932 19.211 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.679 -15.086 17.507 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.445 -14.558 19.745 1.00 0.00 C ATOM 353 CZ PHE A 25 4.497 -15.135 18.893 1.00 0.00 C ATOM 0 H PHE A 25 7.634 -15.050 15.789 1.00 0.00 H new ATOM 0 HA PHE A 25 10.013 -13.792 16.631 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.311 -12.392 17.905 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.745 -12.748 16.285 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.952 -14.419 15.902 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.312 -13.489 19.870 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.947 -15.532 16.850 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.302 -14.595 20.815 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.624 -15.619 19.306 1.00 0.00 H new ATOM 363 N GLU A 26 10.172 -13.956 19.243 1.00 0.00 N ATOM 364 CA GLU A 26 10.614 -14.413 20.591 1.00 0.00 C ATOM 365 C GLU A 26 9.739 -13.772 21.673 1.00 0.00 C ATOM 366 O GLU A 26 8.916 -12.919 21.396 1.00 0.00 O ATOM 367 CB GLU A 26 12.060 -13.934 20.718 1.00 0.00 C ATOM 368 CG GLU A 26 12.905 -14.566 19.609 1.00 0.00 C ATOM 369 CD GLU A 26 14.365 -14.139 19.775 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.617 -13.258 20.581 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.207 -14.701 19.093 1.00 0.00 O ATOM 0 H GLU A 26 10.401 -12.988 19.019 1.00 0.00 H new ATOM 0 HA GLU A 26 10.533 -15.493 20.711 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.102 -12.847 20.648 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.460 -14.206 21.695 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.826 -15.652 19.651 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.533 -14.256 18.632 1.00 0.00 H new ATOM 378 N LYS A 27 9.913 -14.166 22.905 1.00 0.00 N ATOM 379 CA LYS A 27 9.089 -13.572 23.996 1.00 0.00 C ATOM 380 C LYS A 27 9.464 -12.104 24.207 1.00 0.00 C ATOM 381 O LYS A 27 10.622 -11.737 24.172 1.00 0.00 O ATOM 382 CB LYS A 27 9.426 -14.395 25.241 1.00 0.00 C ATOM 383 CG LYS A 27 8.916 -13.665 26.485 1.00 0.00 C ATOM 384 CD LYS A 27 9.023 -14.589 27.699 1.00 0.00 C ATOM 385 CE LYS A 27 8.085 -14.094 28.801 1.00 0.00 C ATOM 386 NZ LYS A 27 8.849 -13.023 29.501 1.00 0.00 N ATOM 0 H LYS A 27 10.587 -14.871 23.203 1.00 0.00 H new ATOM 0 HA LYS A 27 8.024 -13.596 23.766 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.970 -15.382 25.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.503 -14.546 25.310 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.498 -12.759 26.652 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.881 -13.356 26.340 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.763 -15.609 27.417 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.050 -14.611 28.063 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.155 -13.708 28.384 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.818 -14.900 29.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.271 -12.632 30.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.726 -13.422 29.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.083 -12.267 28.827 1.00 0.00 H new ATOM 400 N GLY A 28 8.492 -11.264 24.427 1.00 0.00 N ATOM 401 CA GLY A 28 8.789 -9.822 24.641 1.00 0.00 C ATOM 402 C GLY A 28 8.867 -9.113 23.290 1.00 0.00 C ATOM 403 O GLY A 28 8.823 -7.900 23.213 1.00 0.00 O ATOM 0 H GLY A 28 7.504 -11.515 24.468 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.014 -9.368 25.258 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.731 -9.709 25.178 1.00 0.00 H new ATOM 407 N GLU A 29 8.983 -9.853 22.221 1.00 0.00 N ATOM 408 CA GLU A 29 9.063 -9.205 20.881 1.00 0.00 C ATOM 409 C GLU A 29 7.775 -8.428 20.597 1.00 0.00 C ATOM 410 O GLU A 29 6.690 -8.971 20.643 1.00 0.00 O ATOM 411 CB GLU A 29 9.227 -10.356 19.888 1.00 0.00 C ATOM 412 CG GLU A 29 9.823 -9.820 18.585 1.00 0.00 C ATOM 413 CD GLU A 29 10.143 -10.987 17.650 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.987 -11.793 18.007 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.539 -11.056 16.592 1.00 0.00 O ATOM 0 H GLU A 29 9.026 -10.872 22.217 1.00 0.00 H new ATOM 0 HA GLU A 29 9.887 -8.494 20.814 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.875 -11.125 20.309 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.262 -10.824 19.694 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.121 -9.138 18.105 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.728 -9.250 18.795 1.00 0.00 H new ATOM 422 N GLN A 30 7.887 -7.161 20.303 1.00 0.00 N ATOM 423 CA GLN A 30 6.667 -6.356 20.013 1.00 0.00 C ATOM 424 C GLN A 30 6.207 -6.607 18.576 1.00 0.00 C ATOM 425 O GLN A 30 7.005 -6.661 17.661 1.00 0.00 O ATOM 426 CB GLN A 30 7.100 -4.899 20.192 1.00 0.00 C ATOM 427 CG GLN A 30 7.362 -4.621 21.673 1.00 0.00 C ATOM 428 CD GLN A 30 7.701 -3.141 21.862 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.082 -2.470 20.924 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.577 -2.601 23.043 1.00 0.00 N ATOM 0 H GLN A 30 8.768 -6.650 20.251 1.00 0.00 H new ATOM 0 HA GLN A 30 5.834 -6.614 20.666 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.000 -4.702 19.610 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.325 -4.230 19.817 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.484 -4.882 22.264 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.183 -5.242 22.031 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.257 -3.165 23.831 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.800 -1.615 23.179 1.00 0.00 H new ATOM 439 N LEU A 31 4.929 -6.769 18.367 1.00 0.00 N ATOM 440 CA LEU A 31 4.430 -7.024 16.985 1.00 0.00 C ATOM 441 C LEU A 31 3.107 -6.291 16.748 1.00 0.00 C ATOM 442 O LEU A 31 2.440 -5.873 17.674 1.00 0.00 O ATOM 443 CB LEU A 31 4.214 -8.538 16.915 1.00 0.00 C ATOM 444 CG LEU A 31 5.563 -9.246 16.773 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.215 -9.379 18.149 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.346 -10.638 16.178 1.00 0.00 C ATOM 0 H LEU A 31 4.211 -6.736 19.090 1.00 0.00 H new ATOM 0 HA LEU A 31 5.129 -6.670 16.228 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.704 -8.884 17.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.572 -8.785 16.069 1.00 0.00 H new ATOM 0 HG LEU A 31 6.211 -8.665 16.117 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.176 -9.883 18.049 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.368 -8.388 18.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.567 -9.961 18.804 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.306 -11.144 16.076 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.698 -11.218 16.836 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.879 -10.546 15.198 1.00 0.00 H new ATOM 458 N ARG A 32 2.718 -6.146 15.512 1.00 0.00 N ATOM 459 CA ARG A 32 1.432 -5.456 15.207 1.00 0.00 C ATOM 460 C ARG A 32 0.436 -6.462 14.622 1.00 0.00 C ATOM 461 O ARG A 32 0.786 -7.282 13.799 1.00 0.00 O ATOM 462 CB ARG A 32 1.785 -4.379 14.179 1.00 0.00 C ATOM 463 CG ARG A 32 2.208 -5.038 12.864 1.00 0.00 C ATOM 464 CD ARG A 32 3.004 -4.035 12.026 1.00 0.00 C ATOM 465 NE ARG A 32 2.741 -4.426 10.612 1.00 0.00 N ATOM 466 CZ ARG A 32 2.899 -3.553 9.654 1.00 0.00 C ATOM 467 NH1 ARG A 32 3.498 -2.419 9.893 1.00 0.00 N ATOM 468 NH2 ARG A 32 2.456 -3.816 8.455 1.00 0.00 N ATOM 0 H ARG A 32 3.236 -6.476 14.698 1.00 0.00 H new ATOM 0 HA ARG A 32 0.970 -5.022 16.094 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.927 -3.728 14.011 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.592 -3.751 14.558 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.813 -5.922 13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.329 -5.373 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.680 -3.012 12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.068 -4.082 12.258 1.00 0.00 H new ATOM 0 HE ARG A 32 2.438 -5.375 10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.844 -2.213 10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.620 -1.739 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.987 -4.702 8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.578 -3.135 7.705 1.00 0.00 H new ATOM 482 N ILE A 33 -0.797 -6.416 15.048 1.00 0.00 N ATOM 483 CA ILE A 33 -1.803 -7.385 14.519 1.00 0.00 C ATOM 484 C ILE A 33 -2.509 -6.812 13.287 1.00 0.00 C ATOM 485 O ILE A 33 -3.467 -6.071 13.394 1.00 0.00 O ATOM 486 CB ILE A 33 -2.797 -7.583 15.665 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.061 -8.130 16.889 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.880 -8.574 15.236 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.053 -8.329 18.036 1.00 0.00 C ATOM 0 H ILE A 33 -1.152 -5.753 15.737 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.344 -8.323 14.206 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.258 -6.627 15.915 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.579 -9.076 16.643 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.273 -7.440 17.191 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.588 -8.715 16.053 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.405 -8.184 14.364 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.420 -9.530 14.986 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.528 -8.719 18.908 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.515 -7.374 18.287 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.825 -9.036 17.731 1.00 0.00 H new ATOM 501 N LEU A 34 -2.036 -7.144 12.117 1.00 0.00 N ATOM 502 CA LEU A 34 -2.669 -6.613 10.876 1.00 0.00 C ATOM 503 C LEU A 34 -3.940 -7.400 10.534 1.00 0.00 C ATOM 504 O LEU A 34 -4.868 -6.867 9.958 1.00 0.00 O ATOM 505 CB LEU A 34 -1.614 -6.801 9.787 1.00 0.00 C ATOM 506 CG LEU A 34 -0.325 -6.088 10.202 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.860 -7.043 10.047 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.111 -4.862 9.312 1.00 0.00 C ATOM 0 H LEU A 34 -1.238 -7.761 11.966 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.970 -5.571 10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.422 -7.862 9.631 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.976 -6.400 8.841 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.404 -5.773 11.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.778 -6.535 10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.709 -7.917 10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.939 -7.359 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.807 -4.354 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.033 -5.177 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.955 -4.181 9.422 1.00 0.00 H new ATOM 520 N GLU A 35 -3.997 -8.660 10.875 1.00 0.00 N ATOM 521 CA GLU A 35 -5.217 -9.456 10.557 1.00 0.00 C ATOM 522 C GLU A 35 -5.634 -10.299 11.763 1.00 0.00 C ATOM 523 O GLU A 35 -4.810 -10.865 12.454 1.00 0.00 O ATOM 524 CB GLU A 35 -4.811 -10.355 9.388 1.00 0.00 C ATOM 525 CG GLU A 35 -4.094 -9.518 8.326 1.00 0.00 C ATOM 526 CD GLU A 35 -5.054 -8.461 7.777 1.00 0.00 C ATOM 527 OE1 GLU A 35 -6.225 -8.520 8.112 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.601 -7.609 7.030 1.00 0.00 O ATOM 0 H GLU A 35 -3.256 -9.169 11.357 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.068 -8.821 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.158 -11.154 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.692 -10.830 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.216 -9.038 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.742 -10.160 7.518 1.00 0.00 H new ATOM 535 N GLN A 36 -6.911 -10.390 12.019 1.00 0.00 N ATOM 536 CA GLN A 36 -7.384 -11.197 13.179 1.00 0.00 C ATOM 537 C GLN A 36 -8.507 -12.141 12.742 1.00 0.00 C ATOM 538 O GLN A 36 -9.584 -12.143 13.304 1.00 0.00 O ATOM 539 CB GLN A 36 -7.905 -10.174 14.188 1.00 0.00 C ATOM 540 CG GLN A 36 -6.785 -9.197 14.550 1.00 0.00 C ATOM 541 CD GLN A 36 -7.367 -8.026 15.344 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.654 -7.478 16.290 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -8.481 -7.607 15.102 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.647 -9.940 11.475 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.593 -11.818 13.601 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.753 -9.632 13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.263 -10.681 15.084 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.021 -9.705 15.138 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.300 -8.831 13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.038 -8.036 14.363 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.860 -6.826 15.638 1.00 0.00 H new ATOM 552 N SER A 37 -8.263 -12.943 11.742 1.00 0.00 N ATOM 553 CA SER A 37 -9.317 -13.886 11.269 1.00 0.00 C ATOM 554 C SER A 37 -8.858 -15.334 11.463 1.00 0.00 C ATOM 555 O SER A 37 -7.691 -15.647 11.342 1.00 0.00 O ATOM 556 CB SER A 37 -9.489 -13.574 9.782 1.00 0.00 C ATOM 557 OG SER A 37 -9.874 -12.216 9.626 1.00 0.00 O ATOM 0 H SER A 37 -7.381 -12.986 11.232 1.00 0.00 H new ATOM 0 HA SER A 37 -10.250 -13.772 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.557 -13.763 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.243 -14.230 9.347 1.00 0.00 H new ATOM 0 HG SER A 37 -9.983 -12.014 8.673 1.00 0.00 H new ATOM 563 N GLY A 38 -9.769 -16.218 11.768 1.00 0.00 N ATOM 564 CA GLY A 38 -9.385 -17.643 11.971 1.00 0.00 C ATOM 565 C GLY A 38 -8.584 -17.774 13.267 1.00 0.00 C ATOM 566 O GLY A 38 -8.224 -16.793 13.888 1.00 0.00 O ATOM 0 H GLY A 38 -10.762 -16.015 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.277 -18.268 12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.792 -17.995 11.127 1.00 0.00 H new ATOM 570 N GLU A 39 -8.300 -18.978 13.682 1.00 0.00 N ATOM 571 CA GLU A 39 -7.521 -19.168 14.939 1.00 0.00 C ATOM 572 C GLU A 39 -6.157 -18.483 14.823 1.00 0.00 C ATOM 573 O GLU A 39 -5.575 -18.065 15.803 1.00 0.00 O ATOM 574 CB GLU A 39 -7.352 -20.681 15.077 1.00 0.00 C ATOM 575 CG GLU A 39 -8.726 -21.335 15.232 1.00 0.00 C ATOM 576 CD GLU A 39 -8.556 -22.847 15.402 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.461 -23.329 15.169 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.525 -23.495 15.763 1.00 0.00 O ATOM 0 H GLU A 39 -8.573 -19.838 13.206 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.022 -18.735 15.805 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.843 -21.082 14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.728 -20.911 15.941 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.244 -20.917 16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.342 -21.124 14.358 1.00 0.00 H new ATOM 585 N TRP A 40 -5.644 -18.366 13.629 1.00 0.00 N ATOM 586 CA TRP A 40 -4.318 -17.709 13.448 1.00 0.00 C ATOM 587 C TRP A 40 -4.502 -16.258 12.996 1.00 0.00 C ATOM 588 O TRP A 40 -5.408 -15.940 12.252 1.00 0.00 O ATOM 589 CB TRP A 40 -3.618 -18.524 12.360 1.00 0.00 C ATOM 590 CG TRP A 40 -3.345 -19.903 12.869 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.171 -20.964 12.723 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.182 -20.388 13.601 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.590 -22.070 13.318 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.363 -21.765 13.874 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.000 -19.773 14.051 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.405 -22.506 14.567 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.034 -20.516 14.750 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.236 -21.879 15.007 1.00 0.00 C ATOM 0 H TRP A 40 -6.085 -18.697 12.771 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.742 -17.682 14.373 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.242 -18.571 11.468 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.685 -18.040 12.071 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.128 -20.950 12.223 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.016 -22.997 13.343 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.834 -18.723 13.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.566 -23.556 14.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.870 -20.034 15.092 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.511 -22.444 15.545 1.00 0.00 H new ATOM 609 N TRP A 41 -3.647 -15.377 13.439 1.00 0.00 N ATOM 610 CA TRP A 41 -3.767 -13.945 13.038 1.00 0.00 C ATOM 611 C TRP A 41 -2.493 -13.489 12.325 1.00 0.00 C ATOM 612 O TRP A 41 -1.430 -14.045 12.517 1.00 0.00 O ATOM 613 CB TRP A 41 -3.942 -13.179 14.350 1.00 0.00 C ATOM 614 CG TRP A 41 -5.301 -13.447 14.913 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.333 -13.994 14.230 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.791 -13.188 16.259 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.426 -14.088 15.074 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.142 -13.604 16.336 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.201 -12.638 17.411 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.880 -13.479 17.512 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.941 -12.511 18.597 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.279 -12.931 18.648 1.00 0.00 C ATOM 0 H TRP A 41 -2.868 -15.587 14.063 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.597 -13.778 12.352 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.176 -13.482 15.064 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.813 -12.110 14.178 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.308 -14.306 13.196 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.331 -14.468 14.798 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.172 -12.311 17.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.910 -13.804 17.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.478 -12.087 19.476 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.843 -12.831 19.564 1.00 0.00 H new ATOM 633 N LYS A 42 -2.587 -12.472 11.516 1.00 0.00 N ATOM 634 CA LYS A 42 -1.377 -11.973 10.805 1.00 0.00 C ATOM 635 C LYS A 42 -0.809 -10.768 11.555 1.00 0.00 C ATOM 636 O LYS A 42 -1.542 -9.933 12.045 1.00 0.00 O ATOM 637 CB LYS A 42 -1.870 -11.560 9.417 1.00 0.00 C ATOM 638 CG LYS A 42 -0.677 -11.440 8.467 1.00 0.00 C ATOM 639 CD LYS A 42 -1.116 -10.729 7.185 1.00 0.00 C ATOM 640 CE LYS A 42 0.046 -10.705 6.191 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.106 -11.959 5.399 1.00 0.00 N ATOM 0 H LYS A 42 -3.449 -11.964 11.316 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.587 -12.722 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.578 -12.296 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.399 -10.609 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.129 -10.884 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.285 -12.429 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.972 -11.242 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.435 -9.712 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.001 -9.824 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.006 -10.676 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.790 -12.177 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.357 -12.743 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.857 -11.833 4.691 1.00 0.00 H new ATOM 655 N ALA A 43 0.486 -10.668 11.656 1.00 0.00 N ATOM 656 CA ALA A 43 1.078 -9.512 12.385 1.00 0.00 C ATOM 657 C ALA A 43 2.510 -9.252 11.911 1.00 0.00 C ATOM 658 O ALA A 43 3.018 -9.922 11.034 1.00 0.00 O ATOM 659 CB ALA A 43 1.071 -9.927 13.857 1.00 0.00 C ATOM 0 H ALA A 43 1.157 -11.331 11.268 1.00 0.00 H new ATOM 0 HA ALA A 43 0.519 -8.592 12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.493 -9.125 14.463 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.047 -10.121 14.175 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.668 -10.830 13.983 1.00 0.00 H new ATOM 665 N GLN A 44 3.161 -8.284 12.491 1.00 0.00 N ATOM 666 CA GLN A 44 4.562 -7.972 12.089 1.00 0.00 C ATOM 667 C GLN A 44 5.321 -7.379 13.279 1.00 0.00 C ATOM 668 O GLN A 44 4.728 -6.876 14.211 1.00 0.00 O ATOM 669 CB GLN A 44 4.433 -6.942 10.966 1.00 0.00 C ATOM 670 CG GLN A 44 5.756 -6.850 10.204 1.00 0.00 C ATOM 671 CD GLN A 44 5.634 -5.801 9.096 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.546 -5.370 8.769 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.712 -5.369 8.501 1.00 0.00 N ATOM 0 H GLN A 44 2.782 -7.692 13.230 1.00 0.00 H new ATOM 0 HA GLN A 44 5.111 -8.856 11.764 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.629 -7.227 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.171 -5.968 11.380 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.563 -6.582 10.886 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.009 -7.820 9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.626 -5.730 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.641 -4.670 7.762 1.00 0.00 H new ATOM 682 N SER A 45 6.623 -7.436 13.260 1.00 0.00 N ATOM 683 CA SER A 45 7.404 -6.876 14.398 1.00 0.00 C ATOM 684 C SER A 45 8.105 -5.581 13.977 1.00 0.00 C ATOM 685 O SER A 45 8.618 -5.469 12.881 1.00 0.00 O ATOM 686 CB SER A 45 8.432 -7.953 14.745 1.00 0.00 C ATOM 687 OG SER A 45 7.941 -9.223 14.339 1.00 0.00 O ATOM 0 H SER A 45 7.179 -7.845 12.509 1.00 0.00 H new ATOM 0 HA SER A 45 6.769 -6.630 15.249 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.379 -7.741 14.248 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.628 -7.952 15.817 1.00 0.00 H new ATOM 0 HG SER A 45 8.309 -9.918 14.924 1.00 0.00 H new ATOM 693 N LEU A 46 8.131 -4.604 14.841 1.00 0.00 N ATOM 694 CA LEU A 46 8.800 -3.317 14.493 1.00 0.00 C ATOM 695 C LEU A 46 10.270 -3.357 14.919 1.00 0.00 C ATOM 696 O LEU A 46 10.954 -2.352 14.917 1.00 0.00 O ATOM 697 CB LEU A 46 8.041 -2.251 15.283 1.00 0.00 C ATOM 698 CG LEU A 46 8.439 -0.863 14.779 1.00 0.00 C ATOM 699 CD1 LEU A 46 7.938 -0.679 13.345 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.814 0.206 15.678 1.00 0.00 C ATOM 0 H LEU A 46 7.718 -4.640 15.773 1.00 0.00 H new ATOM 0 HA LEU A 46 8.784 -3.117 13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.967 -2.396 15.171 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.266 -2.342 16.346 1.00 0.00 H new ATOM 0 HG LEU A 46 9.524 -0.766 14.801 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.221 0.310 12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.383 -1.440 12.704 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.853 -0.776 13.324 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.098 1.195 15.319 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.728 0.110 15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.170 0.075 16.700 1.00 0.00 H new ATOM 712 N THR A 47 10.761 -4.510 15.283 1.00 0.00 N ATOM 713 CA THR A 47 12.185 -4.613 15.709 1.00 0.00 C ATOM 714 C THR A 47 13.055 -5.084 14.540 1.00 0.00 C ATOM 715 O THR A 47 14.167 -4.629 14.359 1.00 0.00 O ATOM 716 CB THR A 47 12.187 -5.652 16.831 1.00 0.00 C ATOM 717 OG1 THR A 47 11.311 -5.229 17.867 1.00 0.00 O ATOM 718 CG2 THR A 47 13.603 -5.803 17.387 1.00 0.00 C ATOM 0 H THR A 47 10.237 -5.385 15.304 1.00 0.00 H new ATOM 0 HA THR A 47 12.588 -3.655 16.038 1.00 0.00 H new ATOM 0 HB THR A 47 11.850 -6.612 16.439 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.310 -5.895 18.586 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.603 -6.544 18.187 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.274 -6.128 16.591 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.944 -4.845 17.780 1.00 0.00 H new ATOM 726 N THR A 48 12.558 -5.992 13.745 1.00 0.00 N ATOM 727 CA THR A 48 13.360 -6.490 12.590 1.00 0.00 C ATOM 728 C THR A 48 12.632 -6.197 11.275 1.00 0.00 C ATOM 729 O THR A 48 13.174 -6.375 10.203 1.00 0.00 O ATOM 730 CB THR A 48 13.478 -7.998 12.812 1.00 0.00 C ATOM 731 OG1 THR A 48 12.179 -8.568 12.882 1.00 0.00 O ATOM 732 CG2 THR A 48 14.228 -8.266 14.118 1.00 0.00 C ATOM 0 H THR A 48 11.633 -6.410 13.844 1.00 0.00 H new ATOM 0 HA THR A 48 14.336 -6.009 12.527 1.00 0.00 H new ATOM 0 HB THR A 48 14.026 -8.446 11.983 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.253 -9.535 13.023 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.312 -9.341 14.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.225 -7.829 14.061 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.683 -7.819 14.949 1.00 0.00 H new ATOM 740 N GLY A 49 11.409 -5.752 11.349 1.00 0.00 N ATOM 741 CA GLY A 49 10.649 -5.452 10.104 1.00 0.00 C ATOM 742 C GLY A 49 10.218 -6.763 9.444 1.00 0.00 C ATOM 743 O GLY A 49 10.192 -6.882 8.236 1.00 0.00 O ATOM 0 H GLY A 49 10.903 -5.583 12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.775 -4.844 10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.267 -4.873 9.418 1.00 0.00 H new ATOM 747 N GLN A 50 9.879 -7.748 10.230 1.00 0.00 N ATOM 748 CA GLN A 50 9.449 -9.052 9.649 1.00 0.00 C ATOM 749 C GLN A 50 7.945 -9.250 9.854 1.00 0.00 C ATOM 750 O GLN A 50 7.397 -8.901 10.882 1.00 0.00 O ATOM 751 CB GLN A 50 10.240 -10.109 10.419 1.00 0.00 C ATOM 752 CG GLN A 50 11.318 -10.703 9.510 1.00 0.00 C ATOM 753 CD GLN A 50 12.271 -11.563 10.342 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.866 -12.176 11.311 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.529 -11.634 10.005 1.00 0.00 N ATOM 0 H GLN A 50 9.881 -7.706 11.249 1.00 0.00 H new ATOM 0 HA GLN A 50 9.633 -9.108 8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.699 -9.664 11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.571 -10.895 10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.857 -11.306 8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.871 -9.905 9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.869 -11.120 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.173 -12.204 10.554 1.00 0.00 H new ATOM 764 N GLU A 51 7.273 -9.810 8.886 1.00 0.00 N ATOM 765 CA GLU A 51 5.806 -10.032 9.028 1.00 0.00 C ATOM 766 C GLU A 51 5.482 -11.520 8.880 1.00 0.00 C ATOM 767 O GLU A 51 6.084 -12.222 8.091 1.00 0.00 O ATOM 768 CB GLU A 51 5.172 -9.229 7.892 1.00 0.00 C ATOM 769 CG GLU A 51 3.647 -9.300 8.006 1.00 0.00 C ATOM 770 CD GLU A 51 3.012 -8.609 6.797 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.752 -8.183 5.927 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.795 -8.519 6.764 1.00 0.00 O ATOM 0 H GLU A 51 7.676 -10.123 8.003 1.00 0.00 H new ATOM 0 HA GLU A 51 5.433 -9.721 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.503 -8.191 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.494 -9.625 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.323 -10.340 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.318 -8.820 8.927 1.00 0.00 H new ATOM 779 N GLY A 52 4.536 -12.010 9.633 1.00 0.00 N ATOM 780 CA GLY A 52 4.176 -13.451 9.534 1.00 0.00 C ATOM 781 C GLY A 52 2.942 -13.729 10.395 1.00 0.00 C ATOM 782 O GLY A 52 2.559 -12.927 11.222 1.00 0.00 O ATOM 0 H GLY A 52 3.997 -11.474 10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.976 -13.716 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.011 -14.069 9.865 1.00 0.00 H new ATOM 786 N PHE A 53 2.320 -14.860 10.206 1.00 0.00 N ATOM 787 CA PHE A 53 1.111 -15.188 11.014 1.00 0.00 C ATOM 788 C PHE A 53 1.513 -15.503 12.457 1.00 0.00 C ATOM 789 O PHE A 53 2.558 -16.067 12.712 1.00 0.00 O ATOM 790 CB PHE A 53 0.508 -16.421 10.343 1.00 0.00 C ATOM 791 CG PHE A 53 -0.013 -16.046 8.975 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.224 -15.355 8.852 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.717 -16.389 7.831 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.706 -15.007 7.584 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.236 -16.041 6.564 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.975 -15.350 6.439 1.00 0.00 C ATOM 0 H PHE A 53 2.596 -15.571 9.528 1.00 0.00 H new ATOM 0 HA PHE A 53 0.402 -14.361 11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.260 -17.205 10.255 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.300 -16.822 10.954 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.787 -15.090 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.651 -16.922 7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.641 -14.474 7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.800 -16.306 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.346 -15.081 5.461 1.00 0.00 H new ATOM 806 N ILE A 54 0.690 -15.145 13.404 1.00 0.00 N ATOM 807 CA ILE A 54 1.026 -15.425 14.829 1.00 0.00 C ATOM 808 C ILE A 54 -0.207 -15.945 15.570 1.00 0.00 C ATOM 809 O ILE A 54 -1.297 -15.437 15.396 1.00 0.00 O ATOM 810 CB ILE A 54 1.469 -14.079 15.403 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.359 -13.046 15.200 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.738 -13.612 14.688 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.106 -12.302 16.513 1.00 0.00 C ATOM 0 H ILE A 54 -0.200 -14.671 13.253 1.00 0.00 H new ATOM 0 HA ILE A 54 1.800 -16.185 14.929 1.00 0.00 H new ATOM 0 HB ILE A 54 1.672 -14.188 16.468 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.643 -12.341 14.419 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.554 -13.539 14.867 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.054 -12.652 15.097 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.529 -14.347 14.834 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.536 -13.503 13.622 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.685 -11.566 16.368 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.197 -13.013 17.282 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.019 -11.796 16.826 1.00 0.00 H new ATOM 825 N PRO A 55 0.010 -16.945 16.380 1.00 0.00 N ATOM 826 CA PRO A 55 -1.131 -17.510 17.143 1.00 0.00 C ATOM 827 C PRO A 55 -1.719 -16.446 18.072 1.00 0.00 C ATOM 828 O PRO A 55 -1.014 -15.608 18.599 1.00 0.00 O ATOM 829 CB PRO A 55 -0.516 -18.653 17.942 1.00 0.00 C ATOM 830 CG PRO A 55 0.926 -18.294 18.075 1.00 0.00 C ATOM 831 CD PRO A 55 1.292 -17.473 16.866 1.00 0.00 C ATOM 0 HA PRO A 55 -1.947 -17.848 16.504 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.990 -18.753 18.918 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.640 -19.606 17.428 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.099 -17.729 18.991 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.542 -19.191 18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.980 -16.668 17.126 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.784 -18.081 16.107 1.00 0.00 H new ATOM 839 N PHE A 56 -3.007 -16.467 18.265 1.00 0.00 N ATOM 840 CA PHE A 56 -3.645 -15.450 19.149 1.00 0.00 C ATOM 841 C PHE A 56 -3.335 -15.735 20.623 1.00 0.00 C ATOM 842 O PHE A 56 -3.715 -14.983 21.499 1.00 0.00 O ATOM 843 CB PHE A 56 -5.145 -15.581 18.881 1.00 0.00 C ATOM 844 CG PHE A 56 -5.667 -16.840 19.533 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.589 -18.064 18.857 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.229 -16.782 20.814 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.073 -19.229 19.462 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.713 -17.949 21.419 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.636 -19.172 20.742 1.00 0.00 C ATOM 0 H PHE A 56 -3.647 -17.144 17.849 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.275 -14.445 18.945 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.672 -14.711 19.272 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.332 -15.611 17.808 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.155 -18.109 17.869 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.289 -15.838 21.335 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.012 -20.173 18.941 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.146 -17.905 22.408 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.011 -20.071 21.208 1.00 0.00 H new ATOM 859 N ASN A 57 -2.661 -16.815 20.912 1.00 0.00 N ATOM 860 CA ASN A 57 -2.351 -17.135 22.337 1.00 0.00 C ATOM 861 C ASN A 57 -0.948 -16.647 22.719 1.00 0.00 C ATOM 862 O ASN A 57 -0.675 -16.374 23.871 1.00 0.00 O ATOM 863 CB ASN A 57 -2.424 -18.660 22.419 1.00 0.00 C ATOM 864 CG ASN A 57 -2.426 -19.092 23.888 1.00 0.00 C ATOM 865 OD1 ASN A 57 -3.282 -18.689 24.650 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.497 -19.902 24.318 1.00 0.00 N ATOM 0 H ASN A 57 -2.313 -17.487 20.228 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.044 -16.646 23.022 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.325 -19.019 21.922 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.575 -19.104 21.899 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.490 -20.197 25.294 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.779 -20.240 23.678 1.00 0.00 H new ATOM 873 N PHE A 58 -0.055 -16.535 21.772 1.00 0.00 N ATOM 874 CA PHE A 58 1.322 -16.066 22.109 1.00 0.00 C ATOM 875 C PHE A 58 1.362 -14.537 22.164 1.00 0.00 C ATOM 876 O PHE A 58 2.399 -13.940 22.371 1.00 0.00 O ATOM 877 CB PHE A 58 2.218 -16.586 20.983 1.00 0.00 C ATOM 878 CG PHE A 58 2.382 -18.083 21.118 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.277 -18.929 20.963 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.643 -18.624 21.398 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.433 -20.314 21.089 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.798 -20.010 21.524 1.00 0.00 C ATOM 883 CZ PHE A 58 2.694 -20.855 21.370 1.00 0.00 C ATOM 0 H PHE A 58 -0.217 -16.746 20.787 1.00 0.00 H new ATOM 0 HA PHE A 58 1.649 -16.429 23.083 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.780 -16.343 20.015 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.192 -16.098 21.024 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.304 -18.513 20.746 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.496 -17.972 21.517 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.580 -20.966 20.969 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.771 -20.427 21.740 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.814 -21.924 21.468 1.00 0.00 H new ATOM 893 N VAL A 59 0.238 -13.900 21.983 1.00 0.00 N ATOM 894 CA VAL A 59 0.209 -12.409 22.028 1.00 0.00 C ATOM 895 C VAL A 59 -1.122 -11.931 22.614 1.00 0.00 C ATOM 896 O VAL A 59 -2.052 -12.696 22.768 1.00 0.00 O ATOM 897 CB VAL A 59 0.346 -11.966 20.572 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.582 -10.456 20.518 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.529 -12.691 19.927 1.00 0.00 C ATOM 0 H VAL A 59 -0.662 -14.346 21.806 1.00 0.00 H new ATOM 0 HA VAL A 59 1.001 -11.995 22.653 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.568 -12.210 20.031 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.680 -10.140 19.479 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.261 -9.939 20.977 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.496 -10.211 21.059 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.627 -12.375 18.888 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.444 -12.448 20.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.360 -13.767 19.965 1.00 0.00 H new ATOM 909 N ALA A 60 -1.221 -10.672 22.942 1.00 0.00 N ATOM 910 CA ALA A 60 -2.494 -10.154 23.517 1.00 0.00 C ATOM 911 C ALA A 60 -2.577 -8.636 23.339 1.00 0.00 C ATOM 912 O ALA A 60 -1.582 -7.971 23.123 1.00 0.00 O ATOM 913 CB ALA A 60 -2.435 -10.518 25.001 1.00 0.00 C ATOM 0 H ALA A 60 -0.478 -9.981 22.837 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.371 -10.578 23.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.341 -10.169 25.497 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.357 -11.600 25.107 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.566 -10.045 25.457 1.00 0.00 H new ATOM 919 N LYS A 61 -3.755 -8.082 23.430 1.00 0.00 N ATOM 920 CA LYS A 61 -3.901 -6.607 23.266 1.00 0.00 C ATOM 921 C LYS A 61 -3.272 -5.879 24.456 1.00 0.00 C ATOM 922 O LYS A 61 -3.646 -6.092 25.593 1.00 0.00 O ATOM 923 CB LYS A 61 -5.408 -6.361 23.222 1.00 0.00 C ATOM 924 CG LYS A 61 -6.028 -7.196 22.099 1.00 0.00 C ATOM 925 CD LYS A 61 -7.510 -6.840 21.958 1.00 0.00 C ATOM 926 CE LYS A 61 -8.121 -7.641 20.807 1.00 0.00 C ATOM 927 NZ LYS A 61 -9.580 -7.350 20.873 1.00 0.00 N ATOM 0 H LYS A 61 -4.623 -8.587 23.611 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.402 -6.239 22.369 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.859 -6.626 24.178 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.610 -5.303 23.057 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.507 -7.007 21.161 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.917 -8.258 22.317 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.037 -7.058 22.887 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.622 -5.772 21.771 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.700 -7.339 19.848 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.925 -8.707 20.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.071 -7.864 20.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.953 -7.654 21.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.736 -6.328 20.757 1.00 0.00 H new ATOM 941 N ALA A 62 -2.321 -5.022 24.206 1.00 0.00 N ATOM 942 CA ALA A 62 -1.671 -4.282 25.325 1.00 0.00 C ATOM 943 C ALA A 62 -2.728 -3.792 26.319 1.00 0.00 C ATOM 944 O ALA A 62 -3.877 -3.603 25.974 1.00 0.00 O ATOM 945 CB ALA A 62 -0.969 -3.096 24.661 1.00 0.00 C ATOM 0 H ALA A 62 -1.966 -4.802 23.276 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.975 -4.907 25.884 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.465 -2.500 25.421 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.236 -3.463 23.942 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.705 -2.479 24.146 1.00 0.00 H new ATOM 951 N ASN A 63 -2.347 -3.586 27.550 1.00 0.00 N ATOM 952 CA ASN A 63 -3.332 -3.109 28.563 1.00 0.00 C ATOM 953 C ASN A 63 -2.701 -2.028 29.445 1.00 0.00 C ATOM 954 O ASN A 63 -1.668 -1.506 29.062 1.00 0.00 O ATOM 955 CB ASN A 63 -3.678 -4.344 29.393 1.00 0.00 C ATOM 956 CG ASN A 63 -4.859 -4.028 30.312 1.00 0.00 C ATOM 957 OD1 ASN A 63 -5.937 -3.712 29.848 1.00 0.00 O ATOM 958 ND2 ASN A 63 -4.701 -4.100 31.605 1.00 0.00 N ATOM 959 OXT ASN A 63 -3.263 -1.742 30.490 1.00 0.00 O ATOM 0 H ASN A 63 -1.399 -3.727 27.898 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.216 -2.668 28.103 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.927 -5.178 28.737 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.815 -4.651 29.985 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.482 -3.891 32.227 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.796 -4.365 31.994 1.00 0.00 H new TER 966 ASN A 63