USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 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 5 GLN : amide:sc= -0.586 K(o=-4.9,f=-3.6) USER MOD Set 1.2: A 7 ASN : amide:sc= -0.998 X(o=-4.9,f=-4.9!) USER MOD Set 1.3: A 36 GLN : amide:sc= -3.29 K(o=-4.9,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 13 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 58:sc= -0.0206! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.291) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0.128 (180deg=0.119) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 45 SER OG : rot 26:sc= 0.117 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.97!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0.0058) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00179) USER MOD Single : A 63 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.145 3.624 4.221 1.00 0.00 N ATOM 2 CA GLY A 1 -1.578 3.359 4.533 1.00 0.00 C ATOM 3 C GLY A 1 -1.671 2.335 5.665 1.00 0.00 C ATOM 4 O GLY A 1 -2.271 1.288 5.521 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.080 4.320 3.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.331 3.998 5.067 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.316 2.739 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.075 4.284 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.091 2.986 3.647 1.00 0.00 H new ATOM 10 N SER A 2 -1.084 2.628 6.793 1.00 0.00 N ATOM 11 CA SER A 2 -1.139 1.670 7.934 1.00 0.00 C ATOM 12 C SER A 2 -2.584 1.496 8.410 1.00 0.00 C ATOM 13 O SER A 2 -3.388 2.400 8.299 1.00 0.00 O ATOM 14 CB SER A 2 -0.288 2.310 9.031 1.00 0.00 C ATOM 15 OG SER A 2 -0.416 3.723 8.966 1.00 0.00 O ATOM 0 H SER A 2 -0.569 3.489 6.974 1.00 0.00 H new ATOM 0 HA SER A 2 -0.773 0.681 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.606 1.950 10.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.756 2.023 8.910 1.00 0.00 H new ATOM 0 HG SER A 2 0.128 4.133 9.670 1.00 0.00 H new ATOM 21 N PRO A 3 -2.863 0.329 8.924 1.00 0.00 N ATOM 22 CA PRO A 3 -4.242 0.064 9.413 1.00 0.00 C ATOM 23 C PRO A 3 -4.651 1.116 10.448 1.00 0.00 C ATOM 24 O PRO A 3 -3.866 1.516 11.285 1.00 0.00 O ATOM 25 CB PRO A 3 -4.149 -1.317 10.054 1.00 0.00 C ATOM 26 CG PRO A 3 -2.714 -1.463 10.436 1.00 0.00 C ATOM 27 CD PRO A 3 -1.914 -0.668 9.439 1.00 0.00 C ATOM 0 HA PRO A 3 -4.988 0.106 8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.800 -1.394 10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.455 -2.098 9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.544 -1.096 11.448 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.415 -2.511 10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.053 -0.192 9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.531 -1.303 8.640 1.00 0.00 H new ATOM 35 N LEU A 4 -5.875 1.565 10.399 1.00 0.00 N ATOM 36 CA LEU A 4 -6.334 2.590 11.381 1.00 0.00 C ATOM 37 C LEU A 4 -6.486 1.962 12.769 1.00 0.00 C ATOM 38 O LEU A 4 -6.707 2.645 13.750 1.00 0.00 O ATOM 39 CB LEU A 4 -7.689 3.064 10.856 1.00 0.00 C ATOM 40 CG LEU A 4 -7.532 3.572 9.422 1.00 0.00 C ATOM 41 CD1 LEU A 4 -8.913 3.812 8.812 1.00 0.00 C ATOM 42 CD2 LEU A 4 -6.742 4.883 9.429 1.00 0.00 C ATOM 0 H LEU A 4 -6.577 1.267 9.722 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.626 3.412 11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.409 2.246 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.080 3.857 11.493 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.998 2.829 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.801 4.174 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.476 2.878 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.448 4.555 9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.630 5.246 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.276 5.626 10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.757 4.712 9.864 1.00 0.00 H new ATOM 54 N GLN A 5 -6.369 0.665 12.860 1.00 0.00 N ATOM 55 CA GLN A 5 -6.508 -0.004 14.186 1.00 0.00 C ATOM 56 C GLN A 5 -5.194 0.090 14.967 1.00 0.00 C ATOM 57 O GLN A 5 -5.187 0.200 16.176 1.00 0.00 O ATOM 58 CB GLN A 5 -6.836 -1.462 13.861 1.00 0.00 C ATOM 59 CG GLN A 5 -7.219 -2.198 15.146 1.00 0.00 C ATOM 60 CD GLN A 5 -7.352 -3.694 14.858 1.00 0.00 C ATOM 61 OE1 GLN A 5 -6.379 -4.356 14.556 1.00 0.00 O ATOM 62 NE2 GLN A 5 -8.525 -4.260 14.939 1.00 0.00 N ATOM 0 H GLN A 5 -6.184 0.040 12.075 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.277 0.459 14.804 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.655 -1.510 13.144 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.976 -1.944 13.396 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.462 -2.030 15.913 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.159 -1.807 15.535 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.343 -3.705 15.192 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.624 -5.257 14.749 1.00 0.00 H new ATOM 71 N ASP A 6 -4.082 0.048 14.283 1.00 0.00 N ATOM 72 CA ASP A 6 -2.771 0.135 14.988 1.00 0.00 C ATOM 73 C ASP A 6 -2.789 -0.735 16.247 1.00 0.00 C ATOM 74 O ASP A 6 -2.459 -0.288 17.328 1.00 0.00 O ATOM 75 CB ASP A 6 -2.617 1.611 15.357 1.00 0.00 C ATOM 76 CG ASP A 6 -2.717 2.466 14.093 1.00 0.00 C ATOM 77 OD1 ASP A 6 -2.294 1.997 13.049 1.00 0.00 O ATOM 78 OD2 ASP A 6 -3.215 3.576 14.190 1.00 0.00 O ATOM 0 H ASP A 6 -4.025 -0.043 13.269 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.945 -0.219 14.370 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.391 1.902 16.068 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.657 1.776 15.846 1.00 0.00 H new ATOM 83 N ASN A 7 -3.176 -1.974 16.117 1.00 0.00 N ATOM 84 CA ASN A 7 -3.218 -2.872 17.306 1.00 0.00 C ATOM 85 C ASN A 7 -1.840 -3.493 17.553 1.00 0.00 C ATOM 86 O ASN A 7 -1.438 -4.422 16.881 1.00 0.00 O ATOM 87 CB ASN A 7 -4.237 -3.954 16.947 1.00 0.00 C ATOM 88 CG ASN A 7 -4.582 -4.765 18.198 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.805 -4.209 19.254 1.00 0.00 O ATOM 90 ND2 ASN A 7 -4.635 -6.067 18.122 1.00 0.00 N ATOM 0 H ASN A 7 -3.465 -2.404 15.238 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.491 -2.338 18.216 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.138 -3.498 16.536 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.831 -4.609 16.176 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.864 -6.617 18.950 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.448 -6.534 17.235 1.00 0.00 H new ATOM 97 N LEU A 8 -1.115 -2.988 18.513 1.00 0.00 N ATOM 98 CA LEU A 8 0.235 -3.552 18.804 1.00 0.00 C ATOM 99 C LEU A 8 0.165 -4.498 20.005 1.00 0.00 C ATOM 100 O LEU A 8 -0.602 -4.292 20.925 1.00 0.00 O ATOM 101 CB LEU A 8 1.110 -2.341 19.127 1.00 0.00 C ATOM 102 CG LEU A 8 1.318 -1.508 17.861 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.076 -0.654 17.602 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.535 -0.598 18.044 1.00 0.00 C ATOM 0 H LEU A 8 -1.398 -2.210 19.109 1.00 0.00 H new ATOM 0 HA LEU A 8 0.630 -4.129 17.968 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.639 -1.735 19.900 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.072 -2.669 19.521 1.00 0.00 H new ATOM 0 HG LEU A 8 1.485 -2.172 17.013 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.224 -0.060 16.700 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.791 -1.302 17.472 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.092 0.010 18.450 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.684 -0.004 17.142 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.369 0.066 18.892 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.420 -1.207 18.228 1.00 0.00 H new ATOM 116 N VAL A 9 0.957 -5.535 20.005 1.00 0.00 N ATOM 117 CA VAL A 9 0.931 -6.491 21.149 1.00 0.00 C ATOM 118 C VAL A 9 2.337 -7.027 21.426 1.00 0.00 C ATOM 119 O VAL A 9 3.241 -6.869 20.630 1.00 0.00 O ATOM 120 CB VAL A 9 0.012 -7.625 20.696 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.437 -7.135 20.681 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.412 -8.075 19.289 1.00 0.00 C ATOM 0 H VAL A 9 1.620 -5.762 19.264 1.00 0.00 H new ATOM 0 HA VAL A 9 0.582 -6.021 22.068 1.00 0.00 H new ATOM 0 HB VAL A 9 0.104 -8.463 21.386 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.091 -7.944 20.358 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.723 -6.815 21.683 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.530 -6.296 19.992 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.243 -8.884 18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.321 -7.236 18.599 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.444 -8.426 19.299 1.00 0.00 H new ATOM 132 N ILE A 10 2.525 -7.666 22.547 1.00 0.00 N ATOM 133 CA ILE A 10 3.869 -8.220 22.876 1.00 0.00 C ATOM 134 C ILE A 10 3.819 -9.750 22.843 1.00 0.00 C ATOM 135 O ILE A 10 2.824 -10.354 23.189 1.00 0.00 O ATOM 136 CB ILE A 10 4.171 -7.720 24.289 1.00 0.00 C ATOM 137 CG1 ILE A 10 4.005 -6.200 24.338 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.609 -8.088 24.663 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.060 -5.728 25.793 1.00 0.00 C ATOM 0 H ILE A 10 1.805 -7.829 23.251 1.00 0.00 H new ATOM 0 HA ILE A 10 4.635 -7.907 22.167 1.00 0.00 H new ATOM 0 HB ILE A 10 3.481 -8.184 24.994 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.792 -5.718 23.758 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.055 -5.912 23.887 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.825 -7.732 25.670 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.728 -9.171 24.627 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.299 -7.624 23.958 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.942 -4.645 25.829 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.257 -6.200 26.359 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.021 -6.003 26.229 1.00 0.00 H new ATOM 151 N ALA A 11 4.881 -10.382 22.426 1.00 0.00 N ATOM 152 CA ALA A 11 4.881 -11.871 22.370 1.00 0.00 C ATOM 153 C ALA A 11 5.118 -12.455 23.765 1.00 0.00 C ATOM 154 O ALA A 11 6.184 -12.323 24.329 1.00 0.00 O ATOM 155 CB ALA A 11 6.034 -12.232 21.434 1.00 0.00 C ATOM 0 H ALA A 11 5.746 -9.934 22.123 1.00 0.00 H new ATOM 0 HA ALA A 11 3.930 -12.270 22.018 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.101 -13.316 21.340 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.857 -11.793 20.452 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.968 -11.845 21.841 1.00 0.00 H new ATOM 161 N LEU A 12 4.137 -13.108 24.323 1.00 0.00 N ATOM 162 CA LEU A 12 4.321 -13.706 25.676 1.00 0.00 C ATOM 163 C LEU A 12 5.258 -14.912 25.578 1.00 0.00 C ATOM 164 O LEU A 12 5.863 -15.326 26.547 1.00 0.00 O ATOM 165 CB LEU A 12 2.923 -14.144 26.113 1.00 0.00 C ATOM 166 CG LEU A 12 1.963 -12.957 26.018 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.585 -13.372 26.535 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.497 -11.799 26.864 1.00 0.00 C ATOM 0 H LEU A 12 3.219 -13.253 23.903 1.00 0.00 H new ATOM 0 HA LEU A 12 4.762 -13.008 26.387 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.572 -14.960 25.482 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.952 -14.521 27.135 1.00 0.00 H new ATOM 0 HG LEU A 12 1.881 -12.640 24.978 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.099 -12.526 26.467 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.203 -14.196 25.932 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.667 -13.690 27.574 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.813 -10.953 26.796 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.580 -12.116 27.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.479 -11.502 26.496 1.00 0.00 H new ATOM 180 N HIS A 13 5.380 -15.472 24.406 1.00 0.00 N ATOM 181 CA HIS A 13 6.272 -16.650 24.223 1.00 0.00 C ATOM 182 C HIS A 13 6.675 -16.766 22.751 1.00 0.00 C ATOM 183 O HIS A 13 5.927 -16.404 21.866 1.00 0.00 O ATOM 184 CB HIS A 13 5.424 -17.849 24.643 1.00 0.00 C ATOM 185 CG HIS A 13 5.298 -17.874 26.141 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.404 -17.858 26.977 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.203 -17.915 26.968 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.953 -17.888 28.246 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.619 -17.924 28.296 1.00 0.00 N ATOM 0 H HIS A 13 4.897 -15.162 23.563 1.00 0.00 H new ATOM 0 HA HIS A 13 7.191 -16.578 24.805 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.437 -17.788 24.185 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.882 -18.773 24.290 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.175 -17.937 26.638 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.592 -17.883 29.117 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.031 -17.952 29.129 1.00 0.00 H new ATOM 197 N SER A 14 7.846 -17.270 22.476 1.00 0.00 N ATOM 198 CA SER A 14 8.278 -17.403 21.055 1.00 0.00 C ATOM 199 C SER A 14 7.347 -18.366 20.315 1.00 0.00 C ATOM 200 O SER A 14 6.890 -19.347 20.868 1.00 0.00 O ATOM 201 CB SER A 14 9.697 -17.970 21.122 1.00 0.00 C ATOM 202 OG SER A 14 9.644 -19.336 21.504 1.00 0.00 O ATOM 0 H SER A 14 8.520 -17.594 23.169 1.00 0.00 H new ATOM 0 HA SER A 14 8.247 -16.454 20.520 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.186 -17.871 20.153 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.293 -17.404 21.838 1.00 0.00 H new ATOM 0 HG SER A 14 10.553 -19.700 21.545 1.00 0.00 H new ATOM 208 N TYR A 15 7.057 -18.098 19.070 1.00 0.00 N ATOM 209 CA TYR A 15 6.151 -19.007 18.312 1.00 0.00 C ATOM 210 C TYR A 15 6.969 -19.999 17.481 1.00 0.00 C ATOM 211 O TYR A 15 8.101 -19.740 17.124 1.00 0.00 O ATOM 212 CB TYR A 15 5.334 -18.089 17.405 1.00 0.00 C ATOM 213 CG TYR A 15 4.421 -18.923 16.539 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.616 -19.912 17.117 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.381 -18.706 15.158 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.770 -20.684 16.311 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.536 -19.478 14.351 1.00 0.00 C ATOM 218 CZ TYR A 15 2.730 -20.467 14.928 1.00 0.00 C ATOM 219 OH TYR A 15 1.897 -21.229 14.133 1.00 0.00 O ATOM 0 H TYR A 15 7.406 -17.294 18.548 1.00 0.00 H new ATOM 0 HA TYR A 15 5.514 -19.597 18.971 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.748 -17.393 18.006 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.998 -17.491 16.782 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.647 -20.079 18.183 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.002 -17.942 14.714 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.148 -21.447 16.756 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.506 -19.311 13.284 1.00 0.00 H new ATOM 0 HH TYR A 15 0.972 -21.132 14.441 1.00 0.00 H new ATOM 229 N GLU A 16 6.402 -21.134 17.171 1.00 0.00 N ATOM 230 CA GLU A 16 7.146 -22.143 16.363 1.00 0.00 C ATOM 231 C GLU A 16 6.536 -22.252 14.963 1.00 0.00 C ATOM 232 O GLU A 16 5.843 -23.203 14.659 1.00 0.00 O ATOM 233 CB GLU A 16 6.979 -23.459 17.123 1.00 0.00 C ATOM 234 CG GLU A 16 8.355 -24.008 17.502 1.00 0.00 C ATOM 235 CD GLU A 16 8.538 -23.923 19.018 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.541 -23.978 19.720 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.672 -23.804 19.453 1.00 0.00 O ATOM 0 H GLU A 16 5.457 -21.406 17.442 1.00 0.00 H new ATOM 0 HA GLU A 16 8.195 -21.877 16.233 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.380 -23.300 18.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.445 -24.182 16.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.449 -25.042 17.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.137 -23.439 16.998 1.00 0.00 H new ATOM 244 N PRO A 17 6.817 -21.266 14.157 1.00 0.00 N ATOM 245 CA PRO A 17 6.269 -21.282 12.774 1.00 0.00 C ATOM 246 C PRO A 17 6.482 -22.656 12.132 1.00 0.00 C ATOM 247 O PRO A 17 7.594 -23.134 12.021 1.00 0.00 O ATOM 248 CB PRO A 17 7.073 -20.213 12.044 1.00 0.00 C ATOM 249 CG PRO A 17 8.355 -20.115 12.803 1.00 0.00 C ATOM 250 CD PRO A 17 8.040 -20.453 14.236 1.00 0.00 C ATOM 0 HA PRO A 17 5.196 -21.090 12.741 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.249 -20.491 11.005 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.545 -19.259 12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.097 -20.803 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.774 -19.112 12.726 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.855 -21.005 14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.882 -19.554 14.831 1.00 0.00 H new ATOM 258 N SER A 18 5.425 -23.290 11.706 1.00 0.00 N ATOM 259 CA SER A 18 5.567 -24.631 11.069 1.00 0.00 C ATOM 260 C SER A 18 5.713 -24.481 9.552 1.00 0.00 C ATOM 261 O SER A 18 5.650 -25.444 8.814 1.00 0.00 O ATOM 262 CB SER A 18 4.274 -25.371 11.413 1.00 0.00 C ATOM 263 OG SER A 18 4.248 -25.658 12.803 1.00 0.00 O ATOM 0 H SER A 18 4.470 -22.939 11.771 1.00 0.00 H new ATOM 0 HA SER A 18 6.449 -25.166 11.422 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.411 -24.763 11.140 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.208 -26.295 10.839 1.00 0.00 H new ATOM 0 HG SER A 18 3.419 -26.131 13.024 1.00 0.00 H new ATOM 269 N HIS A 19 5.908 -23.279 9.083 1.00 0.00 N ATOM 270 CA HIS A 19 6.058 -23.066 7.615 1.00 0.00 C ATOM 271 C HIS A 19 7.140 -22.019 7.341 1.00 0.00 C ATOM 272 O HIS A 19 7.997 -21.768 8.165 1.00 0.00 O ATOM 273 CB HIS A 19 4.693 -22.563 7.147 1.00 0.00 C ATOM 274 CG HIS A 19 3.660 -23.634 7.368 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.418 -23.361 7.919 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.671 -24.984 7.116 1.00 0.00 C ATOM 277 CE1 HIS A 19 1.738 -24.521 7.981 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.456 -25.542 7.505 1.00 0.00 N ATOM 0 H HIS A 19 5.970 -22.435 9.653 1.00 0.00 H new ATOM 0 HA HIS A 19 6.358 -23.975 7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.419 -21.661 7.694 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.735 -22.296 6.091 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.496 -25.530 6.682 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.734 -24.615 8.368 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.175 -26.520 7.440 1.00 0.00 H new ATOM 286 N ASP A 20 7.107 -21.403 6.191 1.00 0.00 N ATOM 287 CA ASP A 20 8.135 -20.371 5.868 1.00 0.00 C ATOM 288 C ASP A 20 7.486 -18.987 5.784 1.00 0.00 C ATOM 289 O ASP A 20 8.130 -18.008 5.461 1.00 0.00 O ATOM 290 CB ASP A 20 8.698 -20.785 4.508 1.00 0.00 C ATOM 291 CG ASP A 20 7.554 -20.914 3.499 1.00 0.00 C ATOM 292 OD1 ASP A 20 6.427 -20.628 3.871 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.824 -21.296 2.373 1.00 0.00 O ATOM 0 H ASP A 20 6.414 -21.569 5.461 1.00 0.00 H new ATOM 0 HA ASP A 20 8.913 -20.310 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.421 -20.046 4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.228 -21.733 4.596 1.00 0.00 H new ATOM 298 N GLY A 21 6.217 -18.898 6.071 1.00 0.00 N ATOM 299 CA GLY A 21 5.528 -17.579 6.006 1.00 0.00 C ATOM 300 C GLY A 21 5.103 -17.155 7.414 1.00 0.00 C ATOM 301 O GLY A 21 4.670 -16.040 7.632 1.00 0.00 O ATOM 0 H GLY A 21 5.627 -19.682 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.193 -16.831 5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.656 -17.644 5.355 1.00 0.00 H new ATOM 305 N ASP A 22 5.218 -18.035 8.371 1.00 0.00 N ATOM 306 CA ASP A 22 4.816 -17.679 9.761 1.00 0.00 C ATOM 307 C ASP A 22 5.936 -16.902 10.458 1.00 0.00 C ATOM 308 O ASP A 22 7.062 -16.871 10.002 1.00 0.00 O ATOM 309 CB ASP A 22 4.579 -19.019 10.460 1.00 0.00 C ATOM 310 CG ASP A 22 3.410 -19.744 9.789 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.659 -19.089 9.084 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.285 -20.940 9.992 1.00 0.00 O ATOM 0 H ASP A 22 5.572 -18.984 8.250 1.00 0.00 H new ATOM 0 HA ASP A 22 3.931 -17.044 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.479 -19.632 10.409 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.363 -18.857 11.516 1.00 0.00 H new ATOM 317 N LEU A 23 5.635 -16.277 11.564 1.00 0.00 N ATOM 318 CA LEU A 23 6.679 -15.502 12.295 1.00 0.00 C ATOM 319 C LEU A 23 6.971 -16.169 13.643 1.00 0.00 C ATOM 320 O LEU A 23 6.125 -16.228 14.511 1.00 0.00 O ATOM 321 CB LEU A 23 6.071 -14.114 12.498 1.00 0.00 C ATOM 322 CG LEU A 23 7.161 -13.138 12.946 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.364 -13.248 12.006 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.614 -11.710 12.908 1.00 0.00 C ATOM 0 H LEU A 23 4.710 -16.269 11.994 1.00 0.00 H new ATOM 0 HA LEU A 23 7.623 -15.453 11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.616 -13.766 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.279 -14.158 13.245 1.00 0.00 H new ATOM 0 HG LEU A 23 7.471 -13.382 13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.140 -12.553 12.325 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.755 -14.265 12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.055 -13.005 10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.390 -11.014 13.227 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.304 -11.466 11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.758 -11.630 13.578 1.00 0.00 H new ATOM 336 N GLY A 24 8.164 -16.664 13.826 1.00 0.00 N ATOM 337 CA GLY A 24 8.506 -17.325 15.119 1.00 0.00 C ATOM 338 C GLY A 24 9.208 -16.322 16.037 1.00 0.00 C ATOM 339 O GLY A 24 10.304 -16.554 16.506 1.00 0.00 O ATOM 0 H GLY A 24 8.916 -16.640 13.138 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.602 -17.701 15.598 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.152 -18.184 14.940 1.00 0.00 H new ATOM 343 N PHE A 25 8.585 -15.206 16.289 1.00 0.00 N ATOM 344 CA PHE A 25 9.206 -14.172 17.168 1.00 0.00 C ATOM 345 C PHE A 25 9.605 -14.770 18.520 1.00 0.00 C ATOM 346 O PHE A 25 9.296 -15.905 18.824 1.00 0.00 O ATOM 347 CB PHE A 25 8.112 -13.114 17.357 1.00 0.00 C ATOM 348 CG PHE A 25 6.807 -13.793 17.711 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.564 -14.198 19.029 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.841 -14.021 16.722 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.357 -14.829 19.356 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.636 -14.653 17.048 1.00 0.00 C ATOM 353 CZ PHE A 25 4.393 -15.057 18.366 1.00 0.00 C ATOM 0 H PHE A 25 7.665 -14.962 15.922 1.00 0.00 H new ATOM 0 HA PHE A 25 10.116 -13.760 16.731 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.397 -12.418 18.146 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.994 -12.530 16.444 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.307 -14.024 19.793 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.027 -13.708 15.705 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.169 -15.140 20.373 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.894 -14.829 16.283 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.463 -15.544 18.619 1.00 0.00 H new ATOM 363 N GLU A 26 10.292 -14.009 19.330 1.00 0.00 N ATOM 364 CA GLU A 26 10.715 -14.522 20.665 1.00 0.00 C ATOM 365 C GLU A 26 9.825 -13.932 21.763 1.00 0.00 C ATOM 366 O GLU A 26 8.948 -13.129 21.503 1.00 0.00 O ATOM 367 CB GLU A 26 12.159 -14.046 20.834 1.00 0.00 C ATOM 368 CG GLU A 26 13.014 -14.595 19.691 1.00 0.00 C ATOM 369 CD GLU A 26 14.461 -14.129 19.870 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.687 -13.271 20.707 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.319 -14.640 19.167 1.00 0.00 O ATOM 0 H GLU A 26 10.579 -13.052 19.124 1.00 0.00 H new ATOM 0 HA GLU A 26 10.632 -15.607 20.736 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.196 -12.957 20.839 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.554 -14.383 21.792 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.970 -15.684 19.680 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.625 -14.250 18.733 1.00 0.00 H new ATOM 378 N LYS A 27 10.050 -14.312 22.991 1.00 0.00 N ATOM 379 CA LYS A 27 9.220 -13.768 24.102 1.00 0.00 C ATOM 380 C LYS A 27 9.545 -12.289 24.326 1.00 0.00 C ATOM 381 O LYS A 27 10.693 -11.899 24.396 1.00 0.00 O ATOM 382 CB LYS A 27 9.612 -14.593 25.329 1.00 0.00 C ATOM 383 CG LYS A 27 8.750 -14.176 26.522 1.00 0.00 C ATOM 384 CD LYS A 27 9.020 -15.118 27.698 1.00 0.00 C ATOM 385 CE LYS A 27 7.986 -14.872 28.799 1.00 0.00 C ATOM 386 NZ LYS A 27 8.358 -13.553 29.385 1.00 0.00 N ATOM 0 H LYS A 27 10.772 -14.975 23.272 1.00 0.00 H new ATOM 0 HA LYS A 27 8.153 -13.832 23.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.478 -15.655 25.124 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.667 -14.443 25.559 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.975 -13.148 26.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.695 -14.208 26.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.972 -16.155 27.365 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.025 -14.954 28.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.974 -14.853 28.394 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.014 -15.661 29.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.884 -13.435 30.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.388 -13.511 29.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.062 -12.791 28.742 1.00 0.00 H new ATOM 400 N GLY A 28 8.542 -11.464 24.439 1.00 0.00 N ATOM 401 CA GLY A 28 8.793 -10.015 24.659 1.00 0.00 C ATOM 402 C GLY A 28 8.916 -9.307 23.309 1.00 0.00 C ATOM 403 O GLY A 28 8.931 -8.095 23.233 1.00 0.00 O ATOM 0 H GLY A 28 7.559 -11.732 24.388 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.979 -9.578 25.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.706 -9.877 25.238 1.00 0.00 H new ATOM 407 N GLU A 29 9.004 -10.052 22.239 1.00 0.00 N ATOM 408 CA GLU A 29 9.125 -9.406 20.901 1.00 0.00 C ATOM 409 C GLU A 29 7.860 -8.604 20.590 1.00 0.00 C ATOM 410 O GLU A 29 6.759 -9.114 20.653 1.00 0.00 O ATOM 411 CB GLU A 29 9.284 -10.560 19.911 1.00 0.00 C ATOM 412 CG GLU A 29 9.846 -10.022 18.592 1.00 0.00 C ATOM 413 CD GLU A 29 10.334 -11.188 17.731 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.181 -11.931 18.200 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.854 -11.318 16.618 1.00 0.00 O ATOM 0 H GLU A 29 8.997 -11.072 22.234 1.00 0.00 H new ATOM 0 HA GLU A 29 9.965 -8.713 20.852 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.952 -11.317 20.322 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.322 -11.042 19.740 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.079 -9.460 18.060 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.667 -9.333 18.789 1.00 0.00 H new ATOM 422 N GLN A 30 8.006 -7.351 20.256 1.00 0.00 N ATOM 423 CA GLN A 30 6.808 -6.521 19.943 1.00 0.00 C ATOM 424 C GLN A 30 6.331 -6.813 18.518 1.00 0.00 C ATOM 425 O GLN A 30 7.120 -6.924 17.601 1.00 0.00 O ATOM 426 CB GLN A 30 7.285 -5.073 20.066 1.00 0.00 C ATOM 427 CG GLN A 30 6.158 -4.126 19.649 1.00 0.00 C ATOM 428 CD GLN A 30 6.735 -2.735 19.379 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.614 -2.578 18.555 1.00 0.00 O ATOM 430 NE2 GLN A 30 6.274 -1.711 20.044 1.00 0.00 N ATOM 0 H GLN A 30 8.901 -6.867 20.186 1.00 0.00 H new ATOM 0 HA GLN A 30 5.971 -6.728 20.610 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.588 -4.865 21.092 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.160 -4.913 19.437 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.662 -4.505 18.756 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.404 -4.073 20.434 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.536 -1.842 20.736 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.652 -0.779 19.872 1.00 0.00 H new ATOM 439 N LEU A 31 5.047 -6.946 18.326 1.00 0.00 N ATOM 440 CA LEU A 31 4.530 -7.241 16.960 1.00 0.00 C ATOM 441 C LEU A 31 3.252 -6.446 16.685 1.00 0.00 C ATOM 442 O LEU A 31 2.594 -5.969 17.588 1.00 0.00 O ATOM 443 CB LEU A 31 4.228 -8.740 16.969 1.00 0.00 C ATOM 444 CG LEU A 31 5.490 -9.523 16.603 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.434 -9.562 17.806 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.106 -10.952 16.213 1.00 0.00 C ATOM 0 H LEU A 31 4.336 -6.864 19.053 1.00 0.00 H new ATOM 0 HA LEU A 31 5.246 -6.967 16.185 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.873 -9.043 17.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.431 -8.964 16.260 1.00 0.00 H new ATOM 0 HG LEU A 31 5.989 -9.036 15.765 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.333 -10.120 17.545 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.707 -8.545 18.087 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.935 -10.049 18.644 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.004 -11.512 15.952 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.608 -11.437 17.052 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.432 -10.927 15.357 1.00 0.00 H new ATOM 458 N ARG A 32 2.891 -6.315 15.438 1.00 0.00 N ATOM 459 CA ARG A 32 1.649 -5.569 15.088 1.00 0.00 C ATOM 460 C ARG A 32 0.589 -6.557 14.593 1.00 0.00 C ATOM 461 O ARG A 32 0.877 -7.444 13.820 1.00 0.00 O ATOM 462 CB ARG A 32 2.068 -4.609 13.972 1.00 0.00 C ATOM 463 CG ARG A 32 0.835 -4.156 13.187 1.00 0.00 C ATOM 464 CD ARG A 32 -0.085 -3.346 14.104 1.00 0.00 C ATOM 465 NE ARG A 32 -0.960 -2.571 13.180 1.00 0.00 N ATOM 466 CZ ARG A 32 -0.430 -1.818 12.255 1.00 0.00 C ATOM 467 NH1 ARG A 32 -0.194 -2.309 11.070 1.00 0.00 N ATOM 468 NH2 ARG A 32 -0.135 -0.573 12.516 1.00 0.00 N ATOM 0 H ARG A 32 3.405 -6.694 14.643 1.00 0.00 H new ATOM 0 HA ARG A 32 1.220 -5.032 15.934 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.578 -3.744 14.396 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.775 -5.100 13.304 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.137 -3.552 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.303 -5.022 12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.672 -3.998 14.751 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.488 -2.684 14.754 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.974 -2.629 13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.424 -3.282 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.220 -1.720 10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.319 -0.189 13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.279 0.015 11.793 1.00 0.00 H new ATOM 482 N ILE A 33 -0.631 -6.417 15.034 1.00 0.00 N ATOM 483 CA ILE A 33 -1.694 -7.364 14.585 1.00 0.00 C ATOM 484 C ILE A 33 -2.398 -6.829 13.335 1.00 0.00 C ATOM 485 O ILE A 33 -3.348 -6.076 13.418 1.00 0.00 O ATOM 486 CB ILE A 33 -2.671 -7.448 15.757 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.945 -7.982 16.992 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.822 -8.389 15.396 1.00 0.00 C ATOM 489 CD1 ILE A 33 -1.228 -9.287 16.639 1.00 0.00 C ATOM 0 H ILE A 33 -0.938 -5.692 15.683 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.287 -8.340 14.321 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.066 -6.455 15.970 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.226 -7.245 17.351 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.657 -8.153 17.800 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.519 -8.449 16.232 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.342 -8.008 14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.427 -9.382 15.181 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.710 -9.668 17.520 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.957 -10.023 16.301 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.505 -9.101 15.845 1.00 0.00 H new ATOM 501 N LEU A 34 -1.932 -7.207 12.176 1.00 0.00 N ATOM 502 CA LEU A 34 -2.566 -6.715 10.919 1.00 0.00 C ATOM 503 C LEU A 34 -3.844 -7.504 10.609 1.00 0.00 C ATOM 504 O LEU A 34 -4.767 -6.988 10.012 1.00 0.00 O ATOM 505 CB LEU A 34 -1.517 -6.950 9.833 1.00 0.00 C ATOM 506 CG LEU A 34 -0.278 -6.102 10.127 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.974 -6.975 10.029 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.186 -4.961 9.111 1.00 0.00 C ATOM 0 H LEU A 34 -1.139 -7.835 12.045 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.858 -5.667 10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.248 -8.005 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.925 -6.690 8.856 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.353 -5.687 11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.856 -6.370 10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.909 -7.786 10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.050 -7.391 9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.697 -4.357 9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.112 -5.375 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.077 -4.338 9.182 1.00 0.00 H new ATOM 520 N GLU A 35 -3.909 -8.748 11.004 1.00 0.00 N ATOM 521 CA GLU A 35 -5.135 -9.549 10.718 1.00 0.00 C ATOM 522 C GLU A 35 -5.581 -10.309 11.969 1.00 0.00 C ATOM 523 O GLU A 35 -4.779 -10.878 12.682 1.00 0.00 O ATOM 524 CB GLU A 35 -4.722 -10.524 9.616 1.00 0.00 C ATOM 525 CG GLU A 35 -5.966 -11.208 9.046 1.00 0.00 C ATOM 526 CD GLU A 35 -5.545 -12.263 8.022 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.359 -12.360 7.753 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.416 -12.959 7.526 1.00 0.00 O ATOM 0 H GLU A 35 -3.172 -9.241 11.508 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.974 -8.922 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.192 -9.992 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.035 -11.270 10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.538 -11.673 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.617 -10.470 8.577 1.00 0.00 H new ATOM 535 N GLN A 36 -6.858 -10.324 12.239 1.00 0.00 N ATOM 536 CA GLN A 36 -7.361 -11.048 13.440 1.00 0.00 C ATOM 537 C GLN A 36 -8.576 -11.901 13.069 1.00 0.00 C ATOM 538 O GLN A 36 -9.632 -11.787 13.661 1.00 0.00 O ATOM 539 CB GLN A 36 -7.757 -9.952 14.429 1.00 0.00 C ATOM 540 CG GLN A 36 -6.540 -9.079 14.737 1.00 0.00 C ATOM 541 CD GLN A 36 -6.928 -8.002 15.753 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.779 -8.221 16.592 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.334 -6.841 15.713 1.00 0.00 N ATOM 0 H GLN A 36 -7.576 -9.865 11.678 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.614 -11.722 13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.559 -9.343 14.011 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.140 -10.397 15.347 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.730 -9.692 15.132 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.171 -8.615 13.822 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.620 -6.658 15.008 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.584 -6.117 16.386 1.00 0.00 H new ATOM 552 N SER A 37 -8.437 -12.754 12.092 1.00 0.00 N ATOM 553 CA SER A 37 -9.584 -13.614 11.681 1.00 0.00 C ATOM 554 C SER A 37 -9.214 -15.092 11.822 1.00 0.00 C ATOM 555 O SER A 37 -8.094 -15.489 11.567 1.00 0.00 O ATOM 556 CB SER A 37 -9.838 -13.262 10.215 1.00 0.00 C ATOM 557 OG SER A 37 -11.016 -13.916 9.769 1.00 0.00 O ATOM 0 H SER A 37 -7.578 -12.893 11.560 1.00 0.00 H new ATOM 0 HA SER A 37 -10.467 -13.448 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.943 -12.183 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.987 -13.565 9.604 1.00 0.00 H new ATOM 0 HG SER A 37 -11.180 -13.689 8.830 1.00 0.00 H new ATOM 563 N GLY A 38 -10.147 -15.911 12.225 1.00 0.00 N ATOM 564 CA GLY A 38 -9.849 -17.361 12.381 1.00 0.00 C ATOM 565 C GLY A 38 -9.056 -17.582 13.671 1.00 0.00 C ATOM 566 O GLY A 38 -8.935 -16.697 14.495 1.00 0.00 O ATOM 0 H GLY A 38 -11.103 -15.637 12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.776 -17.933 12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.279 -17.720 11.525 1.00 0.00 H new ATOM 570 N GLU A 39 -8.515 -18.755 13.853 1.00 0.00 N ATOM 571 CA GLU A 39 -7.730 -19.029 15.090 1.00 0.00 C ATOM 572 C GLU A 39 -6.339 -18.397 14.983 1.00 0.00 C ATOM 573 O GLU A 39 -5.774 -17.951 15.961 1.00 0.00 O ATOM 574 CB GLU A 39 -7.624 -20.553 15.163 1.00 0.00 C ATOM 575 CG GLU A 39 -9.024 -21.166 15.089 1.00 0.00 C ATOM 576 CD GLU A 39 -8.928 -22.681 15.281 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.847 -23.214 15.097 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.938 -23.281 15.611 1.00 0.00 O ATOM 0 H GLU A 39 -8.582 -19.535 13.199 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.201 -18.611 15.980 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.009 -20.925 14.344 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.134 -20.850 16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.664 -20.731 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.482 -20.939 14.126 1.00 0.00 H new ATOM 585 N TRP A 40 -5.785 -18.357 13.804 1.00 0.00 N ATOM 586 CA TRP A 40 -4.432 -17.753 13.638 1.00 0.00 C ATOM 587 C TRP A 40 -4.554 -16.299 13.175 1.00 0.00 C ATOM 588 O TRP A 40 -5.403 -15.960 12.376 1.00 0.00 O ATOM 589 CB TRP A 40 -3.745 -18.603 12.568 1.00 0.00 C ATOM 590 CG TRP A 40 -3.479 -19.970 13.112 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.265 -21.052 12.911 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.367 -20.420 13.939 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.708 -22.138 13.562 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.536 -21.798 14.210 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.239 -19.773 14.476 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.620 -22.510 14.986 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.314 -20.486 15.257 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.506 -21.852 15.511 1.00 0.00 C ATOM 0 H TRP A 40 -6.209 -18.716 12.948 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.868 -17.741 14.571 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.375 -18.669 11.681 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.810 -18.134 12.261 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.179 -21.066 12.336 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.113 -23.074 13.563 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.083 -18.721 14.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.772 -23.562 15.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.549 -19.980 15.664 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.208 -22.395 16.113 1.00 0.00 H new ATOM 609 N TRP A 41 -3.708 -15.438 13.670 1.00 0.00 N ATOM 610 CA TRP A 41 -3.772 -14.005 13.261 1.00 0.00 C ATOM 611 C TRP A 41 -2.485 -13.604 12.539 1.00 0.00 C ATOM 612 O TRP A 41 -1.433 -14.170 12.763 1.00 0.00 O ATOM 613 CB TRP A 41 -3.915 -13.226 14.568 1.00 0.00 C ATOM 614 CG TRP A 41 -5.299 -13.394 15.105 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.340 -13.927 14.423 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.812 -13.040 16.422 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.458 -13.921 15.237 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.183 -13.384 16.479 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.225 -12.459 17.560 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.945 -13.160 17.627 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.989 -12.232 18.716 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.346 -12.581 18.750 1.00 0.00 C ATOM 0 H TRP A 41 -2.974 -15.665 14.341 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.597 -13.808 12.576 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.186 -13.582 15.296 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.706 -12.170 14.398 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.303 -14.297 13.409 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.374 -14.270 14.954 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.180 -12.186 17.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.990 -13.432 17.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.528 -11.786 19.585 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.928 -12.403 19.642 1.00 0.00 H new ATOM 633 N LYS A 42 -2.559 -12.622 11.684 1.00 0.00 N ATOM 634 CA LYS A 42 -1.338 -12.173 10.959 1.00 0.00 C ATOM 635 C LYS A 42 -0.778 -10.921 11.634 1.00 0.00 C ATOM 636 O LYS A 42 -1.519 -10.058 12.064 1.00 0.00 O ATOM 637 CB LYS A 42 -1.809 -11.857 9.539 1.00 0.00 C ATOM 638 CG LYS A 42 -0.608 -11.854 8.591 1.00 0.00 C ATOM 639 CD LYS A 42 -1.045 -11.346 7.215 1.00 0.00 C ATOM 640 CE LYS A 42 0.136 -11.424 6.245 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.372 -12.221 5.091 1.00 0.00 N ATOM 0 H LYS A 42 -3.412 -12.111 11.456 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.548 -12.924 10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.540 -12.597 9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.306 -10.887 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.183 -11.219 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.196 -12.860 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.876 -11.944 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.400 -10.318 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.456 -10.431 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.998 -11.904 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.350 -12.249 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.583 -13.190 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.238 -11.781 4.720 1.00 0.00 H new ATOM 655 N ALA A 43 0.515 -10.812 11.743 1.00 0.00 N ATOM 656 CA ALA A 43 1.094 -9.609 12.405 1.00 0.00 C ATOM 657 C ALA A 43 2.475 -9.287 11.828 1.00 0.00 C ATOM 658 O ALA A 43 2.999 -10.003 10.999 1.00 0.00 O ATOM 659 CB ALA A 43 1.206 -9.990 13.881 1.00 0.00 C ATOM 0 H ALA A 43 1.192 -11.496 11.406 1.00 0.00 H new ATOM 0 HA ALA A 43 0.479 -8.722 12.253 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.626 -9.155 14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.217 -10.228 14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.856 -10.859 13.984 1.00 0.00 H new ATOM 665 N GLN A 44 3.069 -8.211 12.270 1.00 0.00 N ATOM 666 CA GLN A 44 4.418 -7.836 11.759 1.00 0.00 C ATOM 667 C GLN A 44 5.292 -7.333 12.911 1.00 0.00 C ATOM 668 O GLN A 44 4.808 -6.738 13.854 1.00 0.00 O ATOM 669 CB GLN A 44 4.165 -6.717 10.748 1.00 0.00 C ATOM 670 CG GLN A 44 5.464 -6.397 10.006 1.00 0.00 C ATOM 671 CD GLN A 44 5.187 -5.366 8.911 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.050 -5.014 8.664 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.185 -4.863 8.237 1.00 0.00 N ATOM 0 H GLN A 44 2.677 -7.575 12.964 1.00 0.00 H new ATOM 0 HA GLN A 44 4.939 -8.679 11.306 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.394 -7.020 10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.797 -5.827 11.259 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.208 -6.011 10.703 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.878 -7.305 9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.140 -5.157 8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.010 -4.175 7.504 1.00 0.00 H new ATOM 682 N SER A 45 6.573 -7.567 12.846 1.00 0.00 N ATOM 683 CA SER A 45 7.472 -7.102 13.940 1.00 0.00 C ATOM 684 C SER A 45 8.125 -5.771 13.561 1.00 0.00 C ATOM 685 O SER A 45 8.872 -5.684 12.607 1.00 0.00 O ATOM 686 CB SER A 45 8.528 -8.197 14.077 1.00 0.00 C ATOM 687 OG SER A 45 9.025 -8.213 15.408 1.00 0.00 O ATOM 0 H SER A 45 7.037 -8.060 12.083 1.00 0.00 H new ATOM 0 HA SER A 45 6.933 -6.936 14.873 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.097 -9.166 13.827 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.343 -8.021 13.375 1.00 0.00 H new ATOM 0 HG SER A 45 8.345 -7.853 16.015 1.00 0.00 H new ATOM 693 N LEU A 46 7.851 -4.731 14.302 1.00 0.00 N ATOM 694 CA LEU A 46 8.459 -3.407 13.982 1.00 0.00 C ATOM 695 C LEU A 46 9.921 -3.376 14.434 1.00 0.00 C ATOM 696 O LEU A 46 10.598 -2.374 14.309 1.00 0.00 O ATOM 697 CB LEU A 46 7.632 -2.390 14.771 1.00 0.00 C ATOM 698 CG LEU A 46 6.183 -2.418 14.281 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.394 -1.295 14.955 1.00 0.00 C ATOM 700 CD2 LEU A 46 6.154 -2.222 12.764 1.00 0.00 C ATOM 0 H LEU A 46 7.233 -4.741 15.114 1.00 0.00 H new ATOM 0 HA LEU A 46 8.452 -3.196 12.913 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.671 -2.621 15.835 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.050 -1.391 14.646 1.00 0.00 H new ATOM 0 HG LEU A 46 5.733 -3.379 14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.362 -1.315 14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.414 -1.434 16.036 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.843 -0.334 14.705 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.122 -2.242 12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.604 -1.262 12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.716 -3.023 12.283 1.00 0.00 H new ATOM 712 N THR A 47 10.415 -4.467 14.955 1.00 0.00 N ATOM 713 CA THR A 47 11.833 -4.499 15.411 1.00 0.00 C ATOM 714 C THR A 47 12.741 -4.986 14.278 1.00 0.00 C ATOM 715 O THR A 47 13.860 -4.536 14.130 1.00 0.00 O ATOM 716 CB THR A 47 11.851 -5.490 16.576 1.00 0.00 C ATOM 717 OG1 THR A 47 10.924 -5.069 17.568 1.00 0.00 O ATOM 718 CG2 THR A 47 13.255 -5.549 17.179 1.00 0.00 C ATOM 0 H THR A 47 9.898 -5.336 15.084 1.00 0.00 H new ATOM 0 HA THR A 47 12.195 -3.514 15.707 1.00 0.00 H new ATOM 0 HB THR A 47 11.573 -6.480 16.215 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.933 -5.704 18.315 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.265 -6.256 18.009 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.965 -5.873 16.418 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.537 -4.560 17.541 1.00 0.00 H new ATOM 726 N THR A 48 12.267 -5.902 13.477 1.00 0.00 N ATOM 727 CA THR A 48 13.104 -6.415 12.355 1.00 0.00 C ATOM 728 C THR A 48 12.429 -6.119 11.012 1.00 0.00 C ATOM 729 O THR A 48 12.989 -6.353 9.960 1.00 0.00 O ATOM 730 CB THR A 48 13.196 -7.924 12.586 1.00 0.00 C ATOM 731 OG1 THR A 48 11.890 -8.483 12.571 1.00 0.00 O ATOM 732 CG2 THR A 48 13.855 -8.198 13.938 1.00 0.00 C ATOM 0 H THR A 48 11.338 -6.316 13.551 1.00 0.00 H new ATOM 0 HA THR A 48 14.087 -5.946 12.327 1.00 0.00 H new ATOM 0 HB THR A 48 13.795 -8.377 11.796 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.947 -9.450 12.717 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.919 -9.274 14.100 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.857 -7.769 13.948 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.259 -7.747 14.731 1.00 0.00 H new ATOM 740 N GLY A 49 11.230 -5.605 11.042 1.00 0.00 N ATOM 741 CA GLY A 49 10.521 -5.295 9.768 1.00 0.00 C ATOM 742 C GLY A 49 10.134 -6.600 9.070 1.00 0.00 C ATOM 743 O GLY A 49 10.289 -6.746 7.874 1.00 0.00 O ATOM 0 H GLY A 49 10.711 -5.386 11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.630 -4.700 9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.162 -4.699 9.118 1.00 0.00 H new ATOM 747 N GLN A 50 9.629 -7.552 9.808 1.00 0.00 N ATOM 748 CA GLN A 50 9.232 -8.847 9.185 1.00 0.00 C ATOM 749 C GLN A 50 7.745 -9.117 9.427 1.00 0.00 C ATOM 750 O GLN A 50 7.185 -8.711 10.426 1.00 0.00 O ATOM 751 CB GLN A 50 10.091 -9.901 9.882 1.00 0.00 C ATOM 752 CG GLN A 50 11.206 -10.357 8.939 1.00 0.00 C ATOM 753 CD GLN A 50 12.238 -11.170 9.724 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.957 -11.647 10.806 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.429 -11.349 9.222 1.00 0.00 N ATOM 0 H GLN A 50 9.474 -7.489 10.814 1.00 0.00 H new ATOM 0 HA GLN A 50 9.382 -8.849 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.519 -9.490 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.476 -10.752 10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.790 -10.960 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.683 -9.492 8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.665 -10.949 8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.124 -11.889 9.738 1.00 0.00 H new ATOM 764 N GLU A 51 7.102 -9.803 8.522 1.00 0.00 N ATOM 765 CA GLU A 51 5.651 -10.101 8.702 1.00 0.00 C ATOM 766 C GLU A 51 5.415 -11.612 8.663 1.00 0.00 C ATOM 767 O GLU A 51 6.077 -12.336 7.946 1.00 0.00 O ATOM 768 CB GLU A 51 4.958 -9.417 7.522 1.00 0.00 C ATOM 769 CG GLU A 51 3.444 -9.431 7.744 1.00 0.00 C ATOM 770 CD GLU A 51 2.749 -8.770 6.552 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.448 -8.312 5.663 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.529 -8.732 6.548 1.00 0.00 O ATOM 0 H GLU A 51 7.518 -10.170 7.666 1.00 0.00 H new ATOM 0 HA GLU A 51 5.270 -9.745 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.313 -8.391 7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.205 -9.931 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.092 -10.456 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.195 -8.901 8.664 1.00 0.00 H new ATOM 779 N GLY A 52 4.475 -12.094 9.429 1.00 0.00 N ATOM 780 CA GLY A 52 4.197 -13.558 9.436 1.00 0.00 C ATOM 781 C GLY A 52 2.969 -13.842 10.302 1.00 0.00 C ATOM 782 O GLY A 52 2.551 -13.016 11.090 1.00 0.00 O ATOM 0 H GLY A 52 3.888 -11.537 10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.027 -13.911 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.060 -14.101 9.822 1.00 0.00 H new ATOM 786 N PHE A 53 2.390 -15.004 10.166 1.00 0.00 N ATOM 787 CA PHE A 53 1.191 -15.338 10.987 1.00 0.00 C ATOM 788 C PHE A 53 1.616 -15.652 12.424 1.00 0.00 C ATOM 789 O PHE A 53 2.675 -16.196 12.663 1.00 0.00 O ATOM 790 CB PHE A 53 0.588 -16.575 10.321 1.00 0.00 C ATOM 791 CG PHE A 53 0.055 -16.204 8.958 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.178 -15.549 8.843 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.793 -16.512 7.809 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.673 -15.204 7.580 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.298 -16.167 6.546 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.935 -15.513 6.431 1.00 0.00 C ATOM 0 H PHE A 53 2.694 -15.735 9.523 1.00 0.00 H new ATOM 0 HA PHE A 53 0.476 -14.516 11.037 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.343 -17.355 10.228 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.214 -16.979 10.939 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.747 -15.310 9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.744 -17.016 7.897 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.624 -14.700 7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.867 -16.405 5.660 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.317 -15.247 5.456 1.00 0.00 H new ATOM 806 N ILE A 54 0.801 -15.311 13.384 1.00 0.00 N ATOM 807 CA ILE A 54 1.170 -15.588 14.802 1.00 0.00 C ATOM 808 C ILE A 54 -0.052 -16.064 15.592 1.00 0.00 C ATOM 809 O ILE A 54 -1.142 -15.557 15.419 1.00 0.00 O ATOM 810 CB ILE A 54 1.671 -14.251 15.347 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.510 -13.257 15.410 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.763 -13.702 14.426 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.123 -13.016 16.870 1.00 0.00 C ATOM 0 H ILE A 54 -0.101 -14.854 13.249 1.00 0.00 H new ATOM 0 HA ILE A 54 1.922 -16.373 14.884 1.00 0.00 H new ATOM 0 HB ILE A 54 2.078 -14.397 16.348 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.796 -12.317 14.939 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.345 -13.644 14.855 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.121 -12.748 14.814 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.591 -14.409 14.382 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.356 -13.557 13.425 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.704 -12.308 16.915 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.181 -13.958 17.326 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.978 -12.610 17.411 1.00 0.00 H new ATOM 825 N PRO A 55 0.183 -17.023 16.445 1.00 0.00 N ATOM 826 CA PRO A 55 -0.935 -17.552 17.271 1.00 0.00 C ATOM 827 C PRO A 55 -1.527 -16.433 18.132 1.00 0.00 C ATOM 828 O PRO A 55 -0.827 -15.548 18.582 1.00 0.00 O ATOM 829 CB PRO A 55 -0.279 -18.622 18.139 1.00 0.00 C ATOM 830 CG PRO A 55 1.158 -18.226 18.210 1.00 0.00 C ATOM 831 CD PRO A 55 1.481 -17.522 16.920 1.00 0.00 C ATOM 0 HA PRO A 55 -1.757 -17.950 16.676 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.729 -18.657 19.131 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.395 -19.613 17.701 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.336 -17.571 19.063 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.794 -19.101 18.342 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.187 -16.707 17.078 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.934 -18.202 16.198 1.00 0.00 H new ATOM 839 N PHE A 56 -2.812 -16.458 18.355 1.00 0.00 N ATOM 840 CA PHE A 56 -3.447 -15.386 19.173 1.00 0.00 C ATOM 841 C PHE A 56 -3.299 -15.680 20.672 1.00 0.00 C ATOM 842 O PHE A 56 -3.677 -14.881 21.505 1.00 0.00 O ATOM 843 CB PHE A 56 -4.923 -15.400 18.764 1.00 0.00 C ATOM 844 CG PHE A 56 -5.628 -16.562 19.425 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.580 -17.835 18.845 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.330 -16.364 20.621 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.234 -18.910 19.460 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.983 -17.439 21.236 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.934 -18.712 20.655 1.00 0.00 C ATOM 0 H PHE A 56 -3.450 -17.174 18.007 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.981 -14.415 19.003 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.398 -14.463 19.053 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.009 -15.480 17.680 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.039 -17.988 17.923 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.368 -15.382 21.069 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.198 -19.892 19.012 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.524 -17.286 22.158 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.437 -19.542 21.130 1.00 0.00 H new ATOM 859 N ASN A 57 -2.763 -16.817 21.027 1.00 0.00 N ATOM 860 CA ASN A 57 -2.611 -17.140 22.476 1.00 0.00 C ATOM 861 C ASN A 57 -1.244 -16.681 22.991 1.00 0.00 C ATOM 862 O ASN A 57 -1.081 -16.382 24.157 1.00 0.00 O ATOM 863 CB ASN A 57 -2.728 -18.663 22.555 1.00 0.00 C ATOM 864 CG ASN A 57 -2.796 -19.091 24.023 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.781 -19.341 24.642 1.00 0.00 O ATOM 866 ND2 ASN A 57 -3.958 -19.186 24.609 1.00 0.00 N ATOM 0 H ASN A 57 -2.426 -17.532 20.382 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.360 -16.637 23.087 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.619 -18.998 22.025 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.873 -19.130 22.067 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.014 -19.470 25.587 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.810 -18.976 24.089 1.00 0.00 H new ATOM 873 N PHE A 58 -0.261 -16.620 22.136 1.00 0.00 N ATOM 874 CA PHE A 58 1.090 -16.177 22.588 1.00 0.00 C ATOM 875 C PHE A 58 1.185 -14.650 22.544 1.00 0.00 C ATOM 876 O PHE A 58 2.234 -14.075 22.759 1.00 0.00 O ATOM 877 CB PHE A 58 2.070 -16.810 21.598 1.00 0.00 C ATOM 878 CG PHE A 58 1.936 -18.319 21.634 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.328 -18.951 22.727 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.422 -19.085 20.568 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.208 -20.345 22.752 1.00 0.00 C ATOM 882 CE2 PHE A 58 2.303 -20.479 20.594 1.00 0.00 C ATOM 883 CZ PHE A 58 1.696 -21.110 21.686 1.00 0.00 C ATOM 0 H PHE A 58 -0.333 -16.857 21.146 1.00 0.00 H new ATOM 0 HA PHE A 58 1.303 -16.478 23.614 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.872 -16.442 20.591 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.091 -16.521 21.848 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.952 -18.362 23.550 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.890 -18.599 19.724 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.738 -20.831 23.594 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.680 -21.068 19.771 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.604 -22.186 21.706 1.00 0.00 H new ATOM 893 N VAL A 59 0.093 -13.989 22.273 1.00 0.00 N ATOM 894 CA VAL A 59 0.110 -12.499 22.220 1.00 0.00 C ATOM 895 C VAL A 59 -1.184 -11.945 22.820 1.00 0.00 C ATOM 896 O VAL A 59 -2.120 -12.675 23.079 1.00 0.00 O ATOM 897 CB VAL A 59 0.201 -12.150 20.735 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.388 -10.640 20.578 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.391 -12.878 20.107 1.00 0.00 C ATOM 0 H VAL A 59 -0.813 -14.418 22.085 1.00 0.00 H new ATOM 0 HA VAL A 59 0.939 -12.074 22.786 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.717 -12.459 20.234 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.453 -10.390 19.519 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.461 -10.120 21.022 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.305 -10.333 21.081 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.453 -12.627 19.048 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.310 -12.572 20.607 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.259 -13.954 20.218 1.00 0.00 H new ATOM 909 N ALA A 60 -1.248 -10.661 23.046 1.00 0.00 N ATOM 910 CA ALA A 60 -2.487 -10.071 23.630 1.00 0.00 C ATOM 911 C ALA A 60 -2.541 -8.566 23.350 1.00 0.00 C ATOM 912 O ALA A 60 -1.530 -7.927 23.131 1.00 0.00 O ATOM 913 CB ALA A 60 -2.379 -10.334 25.133 1.00 0.00 C ATOM 0 H ALA A 60 -0.499 -9.997 22.852 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.392 -10.504 23.204 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.256 -9.929 25.637 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.322 -11.408 25.311 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.482 -9.853 25.523 1.00 0.00 H new ATOM 919 N LYS A 61 -3.715 -7.994 23.356 1.00 0.00 N ATOM 920 CA LYS A 61 -3.836 -6.531 23.090 1.00 0.00 C ATOM 921 C LYS A 61 -2.983 -5.738 24.084 1.00 0.00 C ATOM 922 O LYS A 61 -3.064 -5.935 25.281 1.00 0.00 O ATOM 923 CB LYS A 61 -5.320 -6.216 23.286 1.00 0.00 C ATOM 924 CG LYS A 61 -5.604 -4.788 22.814 1.00 0.00 C ATOM 925 CD LYS A 61 -7.092 -4.478 22.999 1.00 0.00 C ATOM 926 CE LYS A 61 -7.394 -3.082 22.451 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.066 -2.152 23.569 1.00 0.00 N ATOM 0 H LYS A 61 -4.596 -8.477 23.534 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.489 -6.263 22.092 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.930 -6.924 22.725 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.590 -6.324 24.336 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.000 -4.079 23.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.326 -4.677 21.766 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.697 -5.222 22.481 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.357 -4.531 24.055 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.793 -2.866 21.568 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.439 -2.991 22.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.263 -1.174 23.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.646 -2.389 24.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.059 -2.244 23.813 1.00 0.00 H new ATOM 941 N ALA A 62 -2.169 -4.842 23.598 1.00 0.00 N ATOM 942 CA ALA A 62 -1.313 -4.036 24.516 1.00 0.00 C ATOM 943 C ALA A 62 -2.185 -3.160 25.421 1.00 0.00 C ATOM 944 O ALA A 62 -3.254 -2.728 25.039 1.00 0.00 O ATOM 945 CB ALA A 62 -0.455 -3.169 23.596 1.00 0.00 C ATOM 0 H ALA A 62 -2.059 -4.633 22.606 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.706 -4.661 25.170 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.205 -2.544 24.197 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.143 -3.809 22.946 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.100 -2.535 22.987 1.00 0.00 H new ATOM 951 N ASN A 63 -1.735 -2.894 26.617 1.00 0.00 N ATOM 952 CA ASN A 63 -2.536 -2.046 27.544 1.00 0.00 C ATOM 953 C ASN A 63 -1.753 -0.786 27.922 1.00 0.00 C ATOM 954 O ASN A 63 -0.629 -0.924 28.376 1.00 0.00 O ATOM 955 CB ASN A 63 -2.771 -2.921 28.777 1.00 0.00 C ATOM 956 CG ASN A 63 -3.621 -4.132 28.387 1.00 0.00 C ATOM 957 OD1 ASN A 63 -4.250 -4.138 27.348 1.00 0.00 O ATOM 958 ND2 ASN A 63 -3.666 -5.165 29.184 1.00 0.00 N ATOM 959 OXT ASN A 63 -2.291 0.296 27.749 1.00 0.00 O ATOM 0 H ASN A 63 -0.847 -3.228 26.992 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.472 -1.714 27.094 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.817 -3.250 29.190 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.273 -2.345 29.554 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.230 -5.978 28.934 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.138 -5.159 30.056 1.00 0.00 H new TER 966 ASN A 63