USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 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 45 SER OG : rot -96:sc= 0.262 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.0535 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -1.34 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -3.05 K(o=-4.4,f=-2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 7 ASN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -4.36 K(o=-4.4,f=-5.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 27:sc= 0.818 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.73) USER MOD Single : A 36 GLN : amide:sc= -2.63! C(o=-2.6!,f=-1.5!) USER MOD Single : A 37 SER OG : rot 115:sc= 0.299 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.85!) USER MOD Single : A 57 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.38 K(o=-2.4,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.303 4.897 28.337 1.00 0.00 N ATOM 2 CA GLY A 1 1.774 3.657 28.971 1.00 0.00 C ATOM 3 C GLY A 1 0.993 2.847 27.935 1.00 0.00 C ATOM 4 O GLY A 1 1.324 1.716 27.638 1.00 0.00 O ATOM 0 H1 GLY A 1 2.834 5.448 29.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.933 4.643 27.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.512 5.467 27.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.595 3.061 29.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.128 3.913 29.811 1.00 0.00 H new ATOM 10 N SER A 2 -0.043 3.417 27.382 1.00 0.00 N ATOM 11 CA SER A 2 -0.845 2.678 26.364 1.00 0.00 C ATOM 12 C SER A 2 -0.005 2.429 25.108 1.00 0.00 C ATOM 13 O SER A 2 0.817 3.244 24.739 1.00 0.00 O ATOM 14 CB SER A 2 -2.024 3.597 26.047 1.00 0.00 C ATOM 15 OG SER A 2 -3.096 3.315 26.934 1.00 0.00 O ATOM 0 H SER A 2 -0.369 4.361 27.590 1.00 0.00 H new ATOM 0 HA SER A 2 -1.173 1.703 26.724 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.722 4.640 26.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.344 3.453 25.015 1.00 0.00 H new ATOM 0 HG SER A 2 -3.852 3.905 26.732 1.00 0.00 H new ATOM 21 N PRO A 3 -0.245 1.303 24.494 1.00 0.00 N ATOM 22 CA PRO A 3 0.522 0.972 23.263 1.00 0.00 C ATOM 23 C PRO A 3 0.335 2.068 22.209 1.00 0.00 C ATOM 24 O PRO A 3 -0.735 2.623 22.060 1.00 0.00 O ATOM 25 CB PRO A 3 -0.085 -0.343 22.790 1.00 0.00 C ATOM 26 CG PRO A 3 -1.466 -0.351 23.354 1.00 0.00 C ATOM 27 CD PRO A 3 -1.413 0.422 24.645 1.00 0.00 C ATOM 0 HA PRO A 3 1.595 0.895 23.440 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.102 -0.402 21.702 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.493 -1.196 23.146 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.170 0.106 22.659 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.807 -1.372 23.528 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.326 0.996 24.803 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.302 -0.242 25.502 1.00 0.00 H new ATOM 35 N LEU A 4 1.368 2.382 21.477 1.00 0.00 N ATOM 36 CA LEU A 4 1.248 3.440 20.433 1.00 0.00 C ATOM 37 C LEU A 4 0.169 3.058 19.415 1.00 0.00 C ATOM 38 O LEU A 4 -0.552 3.900 18.916 1.00 0.00 O ATOM 39 CB LEU A 4 2.622 3.494 19.765 1.00 0.00 C ATOM 40 CG LEU A 4 3.685 3.834 20.811 1.00 0.00 C ATOM 41 CD1 LEU A 4 5.040 4.012 20.123 1.00 0.00 C ATOM 42 CD2 LEU A 4 3.302 5.132 21.526 1.00 0.00 C ATOM 0 H LEU A 4 2.290 1.952 21.556 1.00 0.00 H new ATOM 0 HA LEU A 4 0.961 4.404 20.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.849 2.535 19.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.624 4.243 18.973 1.00 0.00 H new ATOM 0 HG LEU A 4 3.750 3.024 21.538 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.797 4.254 20.868 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.314 3.088 19.614 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.975 4.821 19.395 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.060 5.374 22.271 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.236 5.942 20.799 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.337 5.006 22.017 1.00 0.00 H new ATOM 54 N GLN A 5 0.053 1.796 19.105 1.00 0.00 N ATOM 55 CA GLN A 5 -0.980 1.362 18.120 1.00 0.00 C ATOM 56 C GLN A 5 -1.906 0.318 18.750 1.00 0.00 C ATOM 57 O GLN A 5 -1.465 -0.578 19.443 1.00 0.00 O ATOM 58 CB GLN A 5 -0.191 0.751 16.962 1.00 0.00 C ATOM 59 CG GLN A 5 0.658 1.835 16.294 1.00 0.00 C ATOM 60 CD GLN A 5 1.512 1.205 15.192 1.00 0.00 C ATOM 61 OE1 GLN A 5 1.942 0.074 15.312 1.00 0.00 O ATOM 62 NE2 GLN A 5 1.778 1.894 14.116 1.00 0.00 N ATOM 0 H GLN A 5 0.628 1.047 19.490 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.611 2.188 17.792 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.448 -0.053 17.328 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.874 0.310 16.236 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.015 2.608 15.874 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.297 2.319 17.033 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.417 2.843 14.016 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.347 1.484 13.375 1.00 0.00 H new ATOM 71 N ASP A 6 -3.184 0.424 18.514 1.00 0.00 N ATOM 72 CA ASP A 6 -4.136 -0.564 19.099 1.00 0.00 C ATOM 73 C ASP A 6 -3.806 -1.974 18.602 1.00 0.00 C ATOM 74 O ASP A 6 -4.036 -2.952 19.284 1.00 0.00 O ATOM 75 CB ASP A 6 -5.515 -0.129 18.601 1.00 0.00 C ATOM 76 CG ASP A 6 -5.807 1.294 19.082 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.139 1.735 20.004 1.00 0.00 O ATOM 78 OD2 ASP A 6 -6.693 1.917 18.522 1.00 0.00 O ATOM 0 H ASP A 6 -3.611 1.152 17.941 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.086 -0.591 20.188 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.550 -0.170 17.512 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.279 -0.813 18.971 1.00 0.00 H new ATOM 83 N ASN A 7 -3.269 -2.084 17.418 1.00 0.00 N ATOM 84 CA ASN A 7 -2.925 -3.431 16.878 1.00 0.00 C ATOM 85 C ASN A 7 -1.559 -3.879 17.405 1.00 0.00 C ATOM 86 O ASN A 7 -1.052 -4.919 17.034 1.00 0.00 O ATOM 87 CB ASN A 7 -2.883 -3.249 15.360 1.00 0.00 C ATOM 88 CG ASN A 7 -4.259 -2.805 14.862 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.375 -1.827 14.151 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.316 -3.489 15.208 1.00 0.00 N ATOM 0 H ASN A 7 -3.054 -1.301 16.801 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.645 -4.193 17.177 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.131 -2.507 15.093 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.594 -4.183 14.879 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.239 -3.202 14.881 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.219 -4.310 15.805 1.00 0.00 H new ATOM 97 N LEU A 8 -0.961 -3.102 18.265 1.00 0.00 N ATOM 98 CA LEU A 8 0.371 -3.485 18.816 1.00 0.00 C ATOM 99 C LEU A 8 0.200 -4.474 19.973 1.00 0.00 C ATOM 100 O LEU A 8 -0.664 -4.315 20.813 1.00 0.00 O ATOM 101 CB LEU A 8 0.986 -2.177 19.313 1.00 0.00 C ATOM 102 CG LEU A 8 2.450 -2.410 19.689 1.00 0.00 C ATOM 103 CD1 LEU A 8 2.523 -3.239 20.973 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.153 -3.162 18.556 1.00 0.00 C ATOM 0 H LEU A 8 -1.336 -2.219 18.610 1.00 0.00 H new ATOM 0 HA LEU A 8 1.001 -3.973 18.072 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.916 -1.413 18.539 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.432 -1.808 20.176 1.00 0.00 H new ATOM 0 HG LEU A 8 2.941 -1.450 19.849 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.567 -3.405 21.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.022 -2.704 21.780 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.032 -4.199 20.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.197 -3.329 18.823 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.661 -4.122 18.396 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.102 -2.572 17.641 1.00 0.00 H new ATOM 116 N VAL A 9 1.015 -5.491 20.023 1.00 0.00 N ATOM 117 CA VAL A 9 0.896 -6.487 21.127 1.00 0.00 C ATOM 118 C VAL A 9 2.275 -7.035 21.500 1.00 0.00 C ATOM 119 O VAL A 9 3.244 -6.844 20.792 1.00 0.00 O ATOM 120 CB VAL A 9 0.017 -7.603 20.563 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.378 -7.052 20.260 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.642 -8.145 19.277 1.00 0.00 C ATOM 0 H VAL A 9 1.758 -5.676 19.349 1.00 0.00 H new ATOM 0 HA VAL A 9 0.472 -6.048 22.030 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.062 -8.407 21.295 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.004 -7.848 19.858 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.824 -6.667 21.177 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.300 -6.247 19.529 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.015 -8.941 18.875 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.722 -7.342 18.545 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.635 -8.540 19.493 1.00 0.00 H new ATOM 132 N ILE A 10 2.367 -7.724 22.604 1.00 0.00 N ATOM 133 CA ILE A 10 3.678 -8.296 23.022 1.00 0.00 C ATOM 134 C ILE A 10 3.623 -9.823 22.944 1.00 0.00 C ATOM 135 O ILE A 10 2.623 -10.433 23.267 1.00 0.00 O ATOM 136 CB ILE A 10 3.869 -7.836 24.467 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.580 -6.337 24.570 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.311 -8.108 24.902 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.434 -5.582 23.548 1.00 0.00 C ATOM 0 H ILE A 10 1.589 -7.916 23.236 1.00 0.00 H new ATOM 0 HA ILE A 10 4.500 -7.970 22.384 1.00 0.00 H new ATOM 0 HB ILE A 10 3.184 -8.383 25.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.522 -6.146 24.388 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.799 -5.982 25.577 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.448 -7.780 25.932 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.517 -9.176 24.830 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.996 -7.562 24.253 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.229 -4.514 23.621 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.489 -5.763 23.751 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.193 -5.930 22.544 1.00 0.00 H new ATOM 151 N ALA A 11 4.684 -10.449 22.515 1.00 0.00 N ATOM 152 CA ALA A 11 4.676 -11.935 22.418 1.00 0.00 C ATOM 153 C ALA A 11 4.898 -12.557 23.797 1.00 0.00 C ATOM 154 O ALA A 11 5.980 -12.499 24.346 1.00 0.00 O ATOM 155 CB ALA A 11 5.837 -12.276 21.483 1.00 0.00 C ATOM 0 H ALA A 11 5.553 -9.998 22.229 1.00 0.00 H new ATOM 0 HA ALA A 11 3.726 -12.319 22.047 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.899 -13.357 21.359 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.672 -11.809 20.512 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.769 -11.906 21.910 1.00 0.00 H new ATOM 161 N LEU A 12 3.889 -13.164 24.359 1.00 0.00 N ATOM 162 CA LEU A 12 4.061 -13.797 25.696 1.00 0.00 C ATOM 163 C LEU A 12 5.009 -14.989 25.571 1.00 0.00 C ATOM 164 O LEU A 12 5.660 -15.387 26.518 1.00 0.00 O ATOM 165 CB LEU A 12 2.662 -14.260 26.103 1.00 0.00 C ATOM 166 CG LEU A 12 2.657 -14.627 27.589 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.730 -13.351 28.431 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.372 -15.386 27.924 1.00 0.00 C ATOM 0 H LEU A 12 2.957 -13.249 23.952 1.00 0.00 H new ATOM 0 HA LEU A 12 4.485 -13.116 26.434 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.936 -13.470 25.910 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.364 -15.121 25.504 1.00 0.00 H new ATOM 0 HG LEU A 12 3.519 -15.257 27.809 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.726 -13.613 29.489 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.646 -12.811 28.194 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.869 -12.720 28.210 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.369 -15.647 28.982 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.510 -14.757 27.703 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.320 -16.296 27.326 1.00 0.00 H new ATOM 180 N HIS A 13 5.092 -15.556 24.399 1.00 0.00 N ATOM 181 CA HIS A 13 5.997 -16.721 24.187 1.00 0.00 C ATOM 182 C HIS A 13 6.422 -16.781 22.718 1.00 0.00 C ATOM 183 O HIS A 13 5.705 -16.350 21.839 1.00 0.00 O ATOM 184 CB HIS A 13 5.159 -17.944 24.554 1.00 0.00 C ATOM 185 CG HIS A 13 4.972 -17.994 26.046 1.00 0.00 C ATOM 186 ND1 HIS A 13 3.847 -17.476 26.667 1.00 0.00 N ATOM 187 CD2 HIS A 13 5.759 -18.496 27.053 1.00 0.00 C ATOM 188 CE1 HIS A 13 3.986 -17.677 27.991 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.134 -18.295 28.280 1.00 0.00 N ATOM 0 H HIS A 13 4.569 -15.261 23.575 1.00 0.00 H new ATOM 0 HA HIS A 13 6.906 -16.661 24.785 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.190 -17.897 24.057 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.651 -18.853 24.208 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.717 -18.974 26.914 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.258 -17.375 28.729 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.479 -18.562 29.202 1.00 0.00 H new ATOM 197 N SER A 14 7.581 -17.313 22.441 1.00 0.00 N ATOM 198 CA SER A 14 8.039 -17.395 21.025 1.00 0.00 C ATOM 199 C SER A 14 7.126 -18.335 20.233 1.00 0.00 C ATOM 200 O SER A 14 6.660 -19.334 20.743 1.00 0.00 O ATOM 201 CB SER A 14 9.458 -17.958 21.098 1.00 0.00 C ATOM 202 OG SER A 14 9.402 -19.347 21.388 1.00 0.00 O ATOM 0 H SER A 14 8.229 -17.693 23.131 1.00 0.00 H new ATOM 0 HA SER A 14 8.013 -16.428 20.524 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.975 -17.794 20.153 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.028 -17.438 21.868 1.00 0.00 H new ATOM 0 HG SER A 14 10.312 -19.709 21.433 1.00 0.00 H new ATOM 208 N TYR A 15 6.865 -18.027 18.991 1.00 0.00 N ATOM 209 CA TYR A 15 5.979 -18.913 18.182 1.00 0.00 C ATOM 210 C TYR A 15 6.815 -19.940 17.412 1.00 0.00 C ATOM 211 O TYR A 15 7.949 -19.691 17.054 1.00 0.00 O ATOM 212 CB TYR A 15 5.254 -17.979 17.216 1.00 0.00 C ATOM 213 CG TYR A 15 4.353 -18.790 16.318 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.495 -19.750 16.867 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.376 -18.582 14.935 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.661 -20.503 16.033 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.542 -19.334 14.100 1.00 0.00 C ATOM 218 CZ TYR A 15 2.683 -20.295 14.648 1.00 0.00 C ATOM 219 OH TYR A 15 1.861 -21.037 13.825 1.00 0.00 O ATOM 0 H TYR A 15 7.224 -17.206 18.504 1.00 0.00 H new ATOM 0 HA TYR A 15 5.282 -19.474 18.804 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.669 -17.246 17.771 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.977 -17.423 16.619 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.477 -19.910 17.935 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.038 -17.841 14.511 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.000 -21.245 16.457 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.561 -19.173 13.032 1.00 0.00 H new ATOM 0 HH TYR A 15 1.068 -21.321 14.325 1.00 0.00 H new ATOM 229 N GLU A 16 6.262 -21.095 17.157 1.00 0.00 N ATOM 230 CA GLU A 16 7.023 -22.138 16.410 1.00 0.00 C ATOM 231 C GLU A 16 6.480 -22.272 14.985 1.00 0.00 C ATOM 232 O GLU A 16 5.724 -23.176 14.691 1.00 0.00 O ATOM 233 CB GLU A 16 6.794 -23.431 17.194 1.00 0.00 C ATOM 234 CG GLU A 16 8.016 -23.723 18.068 1.00 0.00 C ATOM 235 CD GLU A 16 7.564 -24.384 19.372 1.00 0.00 C ATOM 236 OE1 GLU A 16 6.410 -24.215 19.729 1.00 0.00 O ATOM 237 OE2 GLU A 16 8.379 -25.048 19.990 1.00 0.00 O ATOM 0 H GLU A 16 5.317 -21.362 17.433 1.00 0.00 H new ATOM 0 HA GLU A 16 8.082 -21.894 16.324 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.903 -23.339 17.815 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.619 -24.259 16.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.708 -24.377 17.537 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.552 -22.799 18.283 1.00 0.00 H new ATOM 244 N PRO A 17 6.889 -21.359 14.147 1.00 0.00 N ATOM 245 CA PRO A 17 6.414 -21.409 12.738 1.00 0.00 C ATOM 246 C PRO A 17 6.551 -22.827 12.179 1.00 0.00 C ATOM 247 O PRO A 17 7.642 -23.309 11.943 1.00 0.00 O ATOM 248 CB PRO A 17 7.338 -20.445 12.002 1.00 0.00 C ATOM 249 CG PRO A 17 8.582 -20.406 12.826 1.00 0.00 C ATOM 250 CD PRO A 17 8.167 -20.641 14.253 1.00 0.00 C ATOM 0 HA PRO A 17 5.363 -21.139 12.635 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.545 -20.791 10.989 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.889 -19.455 11.916 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.287 -21.170 12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.084 -19.444 12.723 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.910 -21.229 14.791 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.052 -19.701 14.793 1.00 0.00 H new ATOM 258 N SER A 18 5.453 -23.501 11.966 1.00 0.00 N ATOM 259 CA SER A 18 5.523 -24.888 11.423 1.00 0.00 C ATOM 260 C SER A 18 5.479 -24.860 9.893 1.00 0.00 C ATOM 261 O SER A 18 5.305 -25.876 9.250 1.00 0.00 O ATOM 262 CB SER A 18 4.287 -25.593 11.983 1.00 0.00 C ATOM 263 OG SER A 18 3.117 -24.991 11.451 1.00 0.00 O ATOM 0 H SER A 18 4.511 -23.151 12.144 1.00 0.00 H new ATOM 0 HA SER A 18 6.445 -25.397 11.704 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.312 -26.652 11.727 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.280 -25.528 13.071 1.00 0.00 H new ATOM 0 HG SER A 18 2.325 -25.444 11.808 1.00 0.00 H new ATOM 269 N HIS A 19 5.635 -23.705 9.305 1.00 0.00 N ATOM 270 CA HIS A 19 5.602 -23.616 7.816 1.00 0.00 C ATOM 271 C HIS A 19 6.535 -22.503 7.332 1.00 0.00 C ATOM 272 O HIS A 19 7.192 -21.846 8.114 1.00 0.00 O ATOM 273 CB HIS A 19 4.150 -23.284 7.473 1.00 0.00 C ATOM 274 CG HIS A 19 3.259 -24.406 7.930 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.328 -25.677 7.381 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.274 -24.465 8.886 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.410 -26.438 8.003 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.739 -25.748 8.929 1.00 0.00 N ATOM 0 H HIS A 19 5.784 -22.820 9.790 1.00 0.00 H new ATOM 0 HA HIS A 19 5.934 -24.538 7.339 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.855 -22.352 7.955 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.044 -23.135 6.398 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.962 -23.640 9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.236 -27.481 7.781 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.994 -26.089 9.537 1.00 0.00 H new ATOM 286 N ASP A 20 6.599 -22.288 6.046 1.00 0.00 N ATOM 287 CA ASP A 20 7.491 -21.218 5.511 1.00 0.00 C ATOM 288 C ASP A 20 6.682 -19.950 5.223 1.00 0.00 C ATOM 289 O ASP A 20 5.802 -19.942 4.384 1.00 0.00 O ATOM 290 CB ASP A 20 8.068 -21.792 4.218 1.00 0.00 C ATOM 291 CG ASP A 20 9.043 -20.786 3.603 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.403 -19.845 4.292 1.00 0.00 O ATOM 293 OD2 ASP A 20 9.412 -20.974 2.456 1.00 0.00 O ATOM 0 H ASP A 20 6.073 -22.806 5.343 1.00 0.00 H new ATOM 0 HA ASP A 20 8.273 -20.941 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.580 -22.733 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.265 -22.012 3.515 1.00 0.00 H new ATOM 298 N GLY A 21 6.972 -18.881 5.910 1.00 0.00 N ATOM 299 CA GLY A 21 6.220 -17.616 5.675 1.00 0.00 C ATOM 300 C GLY A 21 5.596 -17.141 6.988 1.00 0.00 C ATOM 301 O GLY A 21 4.824 -16.203 7.015 1.00 0.00 O ATOM 0 H GLY A 21 7.698 -18.828 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.889 -16.851 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.443 -17.776 4.928 1.00 0.00 H new ATOM 305 N ASP A 22 5.922 -17.779 8.079 1.00 0.00 N ATOM 306 CA ASP A 22 5.344 -17.362 9.388 1.00 0.00 C ATOM 307 C ASP A 22 6.400 -16.630 10.222 1.00 0.00 C ATOM 308 O ASP A 22 7.561 -16.581 9.867 1.00 0.00 O ATOM 309 CB ASP A 22 4.930 -18.665 10.073 1.00 0.00 C ATOM 310 CG ASP A 22 4.072 -19.494 9.115 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.677 -18.960 8.092 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.826 -20.649 9.422 1.00 0.00 O ATOM 0 H ASP A 22 6.564 -18.571 8.120 1.00 0.00 H new ATOM 0 HA ASP A 22 4.502 -16.680 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.814 -19.230 10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.372 -18.448 10.984 1.00 0.00 H new ATOM 317 N LEU A 23 6.004 -16.059 11.327 1.00 0.00 N ATOM 318 CA LEU A 23 6.981 -15.330 12.184 1.00 0.00 C ATOM 319 C LEU A 23 7.154 -16.064 13.516 1.00 0.00 C ATOM 320 O LEU A 23 6.233 -16.168 14.300 1.00 0.00 O ATOM 321 CB LEU A 23 6.358 -13.951 12.402 1.00 0.00 C ATOM 322 CG LEU A 23 7.417 -12.992 12.950 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.598 -12.926 11.981 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.808 -11.597 13.107 1.00 0.00 C ATOM 0 H LEU A 23 5.045 -16.066 11.673 1.00 0.00 H new ATOM 0 HA LEU A 23 7.969 -15.261 11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.957 -13.569 11.463 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.523 -14.024 13.099 1.00 0.00 H new ATOM 0 HG LEU A 23 7.763 -13.350 13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.352 -12.243 12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.032 -13.919 11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.253 -12.569 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.561 -10.913 13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.461 -11.240 12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.967 -11.643 13.798 1.00 0.00 H new ATOM 336 N GLY A 24 8.327 -16.568 13.781 1.00 0.00 N ATOM 337 CA GLY A 24 8.554 -17.293 15.064 1.00 0.00 C ATOM 338 C GLY A 24 9.233 -16.353 16.061 1.00 0.00 C ATOM 339 O GLY A 24 10.286 -16.647 16.592 1.00 0.00 O ATOM 0 H GLY A 24 9.138 -16.510 13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.606 -17.647 15.468 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.176 -18.172 14.894 1.00 0.00 H new ATOM 343 N PHE A 25 8.642 -15.218 16.311 1.00 0.00 N ATOM 344 CA PHE A 25 9.243 -14.240 17.262 1.00 0.00 C ATOM 345 C PHE A 25 9.515 -14.886 18.622 1.00 0.00 C ATOM 346 O PHE A 25 9.183 -16.031 18.857 1.00 0.00 O ATOM 347 CB PHE A 25 8.184 -13.142 17.402 1.00 0.00 C ATOM 348 CG PHE A 25 6.861 -13.765 17.792 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.580 -14.026 19.139 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.917 -14.085 16.807 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.356 -14.605 19.499 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.695 -14.664 17.168 1.00 0.00 C ATOM 353 CZ PHE A 25 4.415 -14.924 18.514 1.00 0.00 C ATOM 0 H PHE A 25 7.760 -14.923 15.893 1.00 0.00 H new ATOM 0 HA PHE A 25 10.201 -13.862 16.904 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.493 -12.417 18.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.080 -12.600 16.462 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.306 -13.781 19.900 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.133 -13.885 15.768 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.139 -14.805 20.538 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.968 -14.910 16.408 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.472 -15.371 18.793 1.00 0.00 H new ATOM 363 N GLU A 26 10.117 -14.151 19.519 1.00 0.00 N ATOM 364 CA GLU A 26 10.414 -14.706 20.871 1.00 0.00 C ATOM 365 C GLU A 26 9.529 -14.029 21.923 1.00 0.00 C ATOM 366 O GLU A 26 8.754 -13.141 21.619 1.00 0.00 O ATOM 367 CB GLU A 26 11.888 -14.381 21.116 1.00 0.00 C ATOM 368 CG GLU A 26 12.742 -15.038 20.030 1.00 0.00 C ATOM 369 CD GLU A 26 14.220 -14.740 20.291 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.494 -13.877 21.108 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.052 -15.379 19.668 1.00 0.00 O ATOM 0 H GLU A 26 10.417 -13.187 19.373 1.00 0.00 H new ATOM 0 HA GLU A 26 10.219 -15.777 20.933 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.039 -13.302 21.109 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.192 -14.740 22.099 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.573 -16.115 20.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.452 -14.663 19.048 1.00 0.00 H new ATOM 378 N LYS A 27 9.639 -14.434 23.158 1.00 0.00 N ATOM 379 CA LYS A 27 8.803 -13.811 24.223 1.00 0.00 C ATOM 380 C LYS A 27 9.211 -12.352 24.440 1.00 0.00 C ATOM 381 O LYS A 27 10.380 -12.017 24.443 1.00 0.00 O ATOM 382 CB LYS A 27 9.082 -14.638 25.479 1.00 0.00 C ATOM 383 CG LYS A 27 8.519 -13.912 26.703 1.00 0.00 C ATOM 384 CD LYS A 27 8.327 -14.913 27.845 1.00 0.00 C ATOM 385 CE LYS A 27 7.466 -14.277 28.939 1.00 0.00 C ATOM 386 NZ LYS A 27 7.727 -15.097 30.155 1.00 0.00 N ATOM 0 H LYS A 27 10.271 -15.169 23.476 1.00 0.00 H new ATOM 0 HA LYS A 27 7.745 -13.805 23.963 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.627 -15.624 25.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.155 -14.792 25.595 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.198 -13.117 27.012 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.568 -13.441 26.454 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.850 -15.819 27.472 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.294 -15.206 28.253 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.738 -13.234 29.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.410 -14.293 28.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.172 -14.724 30.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.452 -16.084 29.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.739 -15.057 30.390 1.00 0.00 H new ATOM 400 N GLY A 28 8.256 -11.483 24.626 1.00 0.00 N ATOM 401 CA GLY A 28 8.586 -10.049 24.846 1.00 0.00 C ATOM 402 C GLY A 28 8.718 -9.338 23.499 1.00 0.00 C ATOM 403 O GLY A 28 8.727 -8.124 23.426 1.00 0.00 O ATOM 0 H GLY A 28 7.261 -11.705 24.635 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.808 -9.574 25.444 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.517 -9.962 25.407 1.00 0.00 H new ATOM 407 N GLU A 29 8.828 -10.078 22.429 1.00 0.00 N ATOM 408 CA GLU A 29 8.966 -9.429 21.093 1.00 0.00 C ATOM 409 C GLU A 29 7.693 -8.652 20.746 1.00 0.00 C ATOM 410 O GLU A 29 6.603 -9.188 20.760 1.00 0.00 O ATOM 411 CB GLU A 29 9.182 -10.580 20.112 1.00 0.00 C ATOM 412 CG GLU A 29 10.661 -10.969 20.105 1.00 0.00 C ATOM 413 CD GLU A 29 11.164 -11.042 18.662 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.336 -11.039 17.766 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.369 -11.101 18.479 1.00 0.00 O ATOM 0 H GLU A 29 8.828 -11.098 22.421 1.00 0.00 H new ATOM 0 HA GLU A 29 9.788 -8.714 21.065 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.571 -11.436 20.398 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.868 -10.284 19.111 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.243 -10.238 20.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.797 -11.932 20.598 1.00 0.00 H new ATOM 422 N GLN A 30 7.825 -7.392 20.433 1.00 0.00 N ATOM 423 CA GLN A 30 6.624 -6.580 20.085 1.00 0.00 C ATOM 424 C GLN A 30 6.208 -6.858 18.639 1.00 0.00 C ATOM 425 O GLN A 30 7.033 -6.929 17.749 1.00 0.00 O ATOM 426 CB GLN A 30 7.068 -5.126 20.245 1.00 0.00 C ATOM 427 CG GLN A 30 5.878 -4.199 19.994 1.00 0.00 C ATOM 428 CD GLN A 30 6.360 -2.746 19.966 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.300 -2.419 19.270 1.00 0.00 O ATOM 430 NE2 GLN A 30 5.750 -1.856 20.699 1.00 0.00 N ATOM 0 H GLN A 30 8.712 -6.890 20.403 1.00 0.00 H new ATOM 0 HA GLN A 30 5.767 -6.814 20.716 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.464 -4.964 21.247 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.872 -4.901 19.544 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.399 -4.453 19.048 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.130 -4.330 20.776 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.961 -2.131 21.283 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.062 -0.885 20.688 1.00 0.00 H new ATOM 439 N LEU A 31 4.937 -7.024 18.398 1.00 0.00 N ATOM 440 CA LEU A 31 4.477 -7.304 17.009 1.00 0.00 C ATOM 441 C LEU A 31 3.197 -6.522 16.701 1.00 0.00 C ATOM 442 O LEU A 31 2.486 -6.099 17.590 1.00 0.00 O ATOM 443 CB LEU A 31 4.198 -8.808 16.983 1.00 0.00 C ATOM 444 CG LEU A 31 5.503 -9.570 16.741 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.326 -9.596 18.031 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.182 -11.004 16.314 1.00 0.00 C ATOM 0 H LEU A 31 4.199 -6.978 19.101 1.00 0.00 H new ATOM 0 HA LEU A 31 5.216 -7.008 16.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.752 -9.121 17.927 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.479 -9.041 16.198 1.00 0.00 H new ATOM 0 HG LEU A 31 6.074 -9.074 15.956 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.255 -10.139 17.859 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.553 -8.575 18.338 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.756 -10.093 18.816 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.110 -11.549 16.141 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.612 -11.499 17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.595 -10.987 15.396 1.00 0.00 H new ATOM 458 N ARG A 32 2.896 -6.340 15.445 1.00 0.00 N ATOM 459 CA ARG A 32 1.657 -5.599 15.071 1.00 0.00 C ATOM 460 C ARG A 32 0.606 -6.589 14.560 1.00 0.00 C ATOM 461 O ARG A 32 0.891 -7.432 13.738 1.00 0.00 O ATOM 462 CB ARG A 32 2.086 -4.644 13.957 1.00 0.00 C ATOM 463 CG ARG A 32 0.851 -4.142 13.207 1.00 0.00 C ATOM 464 CD ARG A 32 1.281 -3.151 12.123 1.00 0.00 C ATOM 465 NE ARG A 32 0.016 -2.499 11.681 1.00 0.00 N ATOM 466 CZ ARG A 32 0.008 -1.752 10.611 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.067 -1.063 10.288 1.00 0.00 N ATOM 468 NH2 ARG A 32 -1.060 -1.696 9.864 1.00 0.00 N ATOM 0 H ARG A 32 3.455 -6.673 14.660 1.00 0.00 H new ATOM 0 HA ARG A 32 1.217 -5.062 15.911 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.636 -3.802 14.378 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.760 -5.152 13.268 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.319 -4.981 12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.161 -3.662 13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.988 -2.419 12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.774 -3.660 11.295 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.843 -2.636 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.902 -1.108 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.060 -0.479 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.888 -2.236 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.067 -1.112 9.027 1.00 0.00 H new ATOM 482 N ILE A 33 -0.603 -6.501 15.044 1.00 0.00 N ATOM 483 CA ILE A 33 -1.657 -7.452 14.582 1.00 0.00 C ATOM 484 C ILE A 33 -2.432 -6.865 13.399 1.00 0.00 C ATOM 485 O ILE A 33 -3.380 -6.124 13.570 1.00 0.00 O ATOM 486 CB ILE A 33 -2.578 -7.638 15.787 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.758 -8.115 16.988 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.647 -8.680 15.454 1.00 0.00 C ATOM 489 CD1 ILE A 33 -0.930 -9.338 16.586 1.00 0.00 C ATOM 0 H ILE A 33 -0.907 -5.816 15.736 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.234 -8.396 14.240 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.057 -6.689 16.028 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.102 -7.316 17.335 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.420 -8.367 17.817 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.305 -8.814 16.313 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.231 -8.341 14.599 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.168 -9.629 15.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.346 -9.679 17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.596 -10.137 16.260 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.258 -9.070 15.770 1.00 0.00 H new ATOM 501 N LEU A 34 -2.032 -7.188 12.199 1.00 0.00 N ATOM 502 CA LEU A 34 -2.742 -6.647 11.004 1.00 0.00 C ATOM 503 C LEU A 34 -4.026 -7.438 10.731 1.00 0.00 C ATOM 504 O LEU A 34 -4.989 -6.910 10.210 1.00 0.00 O ATOM 505 CB LEU A 34 -1.755 -6.817 9.848 1.00 0.00 C ATOM 506 CG LEU A 34 -0.512 -5.964 10.110 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.696 -6.599 9.415 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.734 -4.555 9.558 1.00 0.00 C ATOM 0 H LEU A 34 -1.244 -7.803 11.994 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.040 -5.608 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.475 -7.865 9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.223 -6.519 8.910 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.328 -5.909 11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.583 -5.993 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.855 -7.604 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.511 -6.653 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.151 -3.947 9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.917 -4.609 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.595 -4.103 10.051 1.00 0.00 H new ATOM 520 N GLU A 35 -4.055 -8.700 11.073 1.00 0.00 N ATOM 521 CA GLU A 35 -5.284 -9.506 10.821 1.00 0.00 C ATOM 522 C GLU A 35 -5.684 -10.277 12.082 1.00 0.00 C ATOM 523 O GLU A 35 -4.848 -10.754 12.823 1.00 0.00 O ATOM 524 CB GLU A 35 -4.902 -10.474 9.701 1.00 0.00 C ATOM 525 CG GLU A 35 -6.154 -11.198 9.203 1.00 0.00 C ATOM 526 CD GLU A 35 -7.144 -10.175 8.642 1.00 0.00 C ATOM 527 OE1 GLU A 35 -6.696 -9.151 8.154 1.00 0.00 O ATOM 528 OE2 GLU A 35 -8.335 -10.435 8.709 1.00 0.00 O ATOM 0 H GLU A 35 -3.285 -9.204 11.513 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.135 -8.882 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.433 -9.931 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.171 -11.197 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.887 -11.922 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.614 -11.756 10.019 1.00 0.00 H new ATOM 535 N GLN A 36 -6.960 -10.401 12.330 1.00 0.00 N ATOM 536 CA GLN A 36 -7.416 -11.143 13.541 1.00 0.00 C ATOM 537 C GLN A 36 -8.612 -12.030 13.192 1.00 0.00 C ATOM 538 O GLN A 36 -9.659 -11.949 13.805 1.00 0.00 O ATOM 539 CB GLN A 36 -7.827 -10.060 14.540 1.00 0.00 C ATOM 540 CG GLN A 36 -6.659 -9.096 14.760 1.00 0.00 C ATOM 541 CD GLN A 36 -7.154 -7.862 15.516 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.280 -7.439 15.342 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.356 -7.262 16.356 1.00 0.00 N ATOM 0 H GLN A 36 -7.706 -10.021 11.747 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.640 -11.794 13.944 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.695 -9.517 14.166 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.119 -10.516 15.486 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.868 -9.589 15.325 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.231 -8.802 13.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.411 -7.616 16.503 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.677 -6.439 16.866 1.00 0.00 H new ATOM 552 N SER A 37 -8.467 -12.878 12.210 1.00 0.00 N ATOM 553 CA SER A 37 -9.597 -13.769 11.822 1.00 0.00 C ATOM 554 C SER A 37 -9.186 -15.237 11.962 1.00 0.00 C ATOM 555 O SER A 37 -8.095 -15.625 11.595 1.00 0.00 O ATOM 556 CB SER A 37 -9.883 -13.429 10.359 1.00 0.00 C ATOM 557 OG SER A 37 -10.396 -12.108 10.271 1.00 0.00 O ATOM 0 H SER A 37 -7.615 -12.992 11.660 1.00 0.00 H new ATOM 0 HA SER A 37 -10.473 -13.624 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.970 -13.516 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.600 -14.137 9.943 1.00 0.00 H new ATOM 0 HG SER A 37 -9.763 -11.543 9.780 1.00 0.00 H new ATOM 563 N GLY A 38 -10.053 -16.056 12.492 1.00 0.00 N ATOM 564 CA GLY A 38 -9.713 -17.498 12.656 1.00 0.00 C ATOM 565 C GLY A 38 -8.805 -17.670 13.875 1.00 0.00 C ATOM 566 O GLY A 38 -8.586 -16.748 14.635 1.00 0.00 O ATOM 0 H GLY A 38 -10.982 -15.789 12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.623 -18.086 12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.213 -17.869 11.761 1.00 0.00 H new ATOM 570 N GLU A 39 -8.275 -18.847 14.069 1.00 0.00 N ATOM 571 CA GLU A 39 -7.381 -19.078 15.241 1.00 0.00 C ATOM 572 C GLU A 39 -6.013 -18.434 14.998 1.00 0.00 C ATOM 573 O GLU A 39 -5.371 -17.957 15.911 1.00 0.00 O ATOM 574 CB GLU A 39 -7.246 -20.597 15.343 1.00 0.00 C ATOM 575 CG GLU A 39 -8.633 -21.223 15.500 1.00 0.00 C ATOM 576 CD GLU A 39 -8.492 -22.737 15.676 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.436 -23.254 15.355 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.444 -23.352 16.129 1.00 0.00 O ATOM 0 H GLU A 39 -8.422 -19.658 13.468 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.780 -18.641 16.157 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.757 -20.990 14.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.618 -20.861 16.194 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.143 -20.792 16.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.244 -21.003 14.625 1.00 0.00 H new ATOM 585 N TRP A 40 -5.563 -18.417 13.773 1.00 0.00 N ATOM 586 CA TRP A 40 -4.236 -17.804 13.476 1.00 0.00 C ATOM 587 C TRP A 40 -4.410 -16.340 13.064 1.00 0.00 C ATOM 588 O TRP A 40 -5.323 -15.991 12.343 1.00 0.00 O ATOM 589 CB TRP A 40 -3.671 -18.622 12.315 1.00 0.00 C ATOM 590 CG TRP A 40 -3.360 -20.007 12.785 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.042 -21.120 12.431 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.301 -20.446 13.685 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.471 -22.213 13.056 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.394 -21.849 13.840 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.279 -19.769 14.376 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.506 -22.555 14.651 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.382 -20.477 15.193 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.496 -21.868 15.330 1.00 0.00 C ATOM 0 H TRP A 40 -6.055 -18.800 12.966 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.574 -17.815 14.342 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.391 -18.657 11.497 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.770 -18.147 11.927 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.894 -21.150 11.768 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.804 -23.171 12.951 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.184 -18.698 14.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.598 -23.626 14.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.399 -19.948 15.718 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.196 -22.408 15.960 1.00 0.00 H new ATOM 609 N TRP A 41 -3.538 -15.480 13.517 1.00 0.00 N ATOM 610 CA TRP A 41 -3.648 -14.038 13.152 1.00 0.00 C ATOM 611 C TRP A 41 -2.407 -13.598 12.376 1.00 0.00 C ATOM 612 O TRP A 41 -1.343 -14.168 12.512 1.00 0.00 O ATOM 613 CB TRP A 41 -3.732 -13.298 14.488 1.00 0.00 C ATOM 614 CG TRP A 41 -5.109 -13.440 15.057 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.167 -13.974 14.405 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.593 -13.053 16.375 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.269 -13.940 15.240 1.00 0.00 N ATOM 618 CE2 TRP A 41 -6.966 -13.381 16.466 1.00 0.00 C ATOM 619 CE3 TRP A 41 -4.979 -12.456 17.492 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.705 -13.125 17.622 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.720 -12.197 18.656 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.080 -12.531 18.721 1.00 0.00 C ATOM 0 H TRP A 41 -2.753 -15.714 14.125 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.511 -13.835 12.518 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.997 -13.701 15.185 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.493 -12.244 14.347 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.153 -14.363 13.398 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.193 -14.286 14.982 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.932 -12.196 17.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.752 -13.384 17.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.239 -11.737 19.507 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.644 -12.329 19.620 1.00 0.00 H new ATOM 633 N LYS A 42 -2.532 -12.579 11.572 1.00 0.00 N ATOM 634 CA LYS A 42 -1.354 -12.092 10.801 1.00 0.00 C ATOM 635 C LYS A 42 -0.781 -10.854 11.490 1.00 0.00 C ATOM 636 O LYS A 42 -1.512 -10.004 11.958 1.00 0.00 O ATOM 637 CB LYS A 42 -1.900 -11.738 9.418 1.00 0.00 C ATOM 638 CG LYS A 42 -0.736 -11.561 8.442 1.00 0.00 C ATOM 639 CD LYS A 42 -1.252 -10.954 7.136 1.00 0.00 C ATOM 640 CE LYS A 42 -0.076 -10.713 6.187 1.00 0.00 C ATOM 641 NZ LYS A 42 0.043 -9.230 6.096 1.00 0.00 N ATOM 0 H LYS A 42 -3.398 -12.063 11.416 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.555 -12.831 10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.567 -12.525 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.487 -10.821 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.025 -10.915 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.262 -12.523 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.976 -11.624 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.769 -10.016 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.841 -11.160 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.261 -11.156 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.829 -8.983 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.842 -8.833 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.225 -8.838 7.042 1.00 0.00 H new ATOM 655 N ALA A 43 0.514 -10.744 11.572 1.00 0.00 N ATOM 656 CA ALA A 43 1.101 -9.555 12.249 1.00 0.00 C ATOM 657 C ALA A 43 2.472 -9.212 11.662 1.00 0.00 C ATOM 658 O ALA A 43 2.980 -9.894 10.795 1.00 0.00 O ATOM 659 CB ALA A 43 1.236 -9.970 13.714 1.00 0.00 C ATOM 0 H ALA A 43 1.186 -11.418 11.204 1.00 0.00 H new ATOM 0 HA ALA A 43 0.482 -8.667 12.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.663 -9.147 14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.253 -10.219 14.114 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.888 -10.840 13.787 1.00 0.00 H new ATOM 665 N GLN A 44 3.073 -8.156 12.138 1.00 0.00 N ATOM 666 CA GLN A 44 4.412 -7.756 11.622 1.00 0.00 C ATOM 667 C GLN A 44 5.307 -7.319 12.786 1.00 0.00 C ATOM 668 O GLN A 44 4.843 -6.766 13.762 1.00 0.00 O ATOM 669 CB GLN A 44 4.140 -6.580 10.683 1.00 0.00 C ATOM 670 CG GLN A 44 5.468 -6.009 10.179 1.00 0.00 C ATOM 671 CD GLN A 44 5.212 -4.682 9.461 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.079 -4.274 9.298 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.225 -3.987 9.021 1.00 0.00 N ATOM 0 H GLN A 44 2.692 -7.551 12.865 1.00 0.00 H new ATOM 0 HA GLN A 44 4.923 -8.572 11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.530 -6.907 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.575 -5.808 11.205 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.151 -5.857 11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.946 -6.716 9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.176 -4.329 9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.066 -3.102 8.540 1.00 0.00 H new ATOM 682 N SER A 45 6.585 -7.565 12.694 1.00 0.00 N ATOM 683 CA SER A 45 7.501 -7.163 13.800 1.00 0.00 C ATOM 684 C SER A 45 8.152 -5.814 13.485 1.00 0.00 C ATOM 685 O SER A 45 8.898 -5.681 12.535 1.00 0.00 O ATOM 686 CB SER A 45 8.556 -8.269 13.862 1.00 0.00 C ATOM 687 OG SER A 45 8.995 -8.430 15.202 1.00 0.00 O ATOM 0 H SER A 45 7.034 -8.026 11.903 1.00 0.00 H new ATOM 0 HA SER A 45 6.977 -7.047 14.749 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.139 -9.205 13.490 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.400 -8.018 13.219 1.00 0.00 H new ATOM 0 HG SER A 45 9.822 -7.922 15.338 1.00 0.00 H new ATOM 693 N LEU A 46 7.876 -4.812 14.276 1.00 0.00 N ATOM 694 CA LEU A 46 8.480 -3.472 14.022 1.00 0.00 C ATOM 695 C LEU A 46 9.949 -3.461 14.453 1.00 0.00 C ATOM 696 O LEU A 46 10.626 -2.456 14.359 1.00 0.00 O ATOM 697 CB LEU A 46 7.663 -2.503 14.876 1.00 0.00 C ATOM 698 CG LEU A 46 6.175 -2.680 14.568 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.361 -1.683 15.395 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.928 -2.430 13.080 1.00 0.00 C ATOM 0 H LEU A 46 7.259 -4.863 15.086 1.00 0.00 H new ATOM 0 HA LEU A 46 8.459 -3.203 12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.851 -2.687 15.934 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.968 -1.476 14.672 1.00 0.00 H new ATOM 0 HG LEU A 46 5.871 -3.696 14.820 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.301 -1.809 15.176 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.536 -1.862 16.456 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.666 -0.667 15.143 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.868 -2.556 12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.233 -1.415 12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.507 -3.141 12.491 1.00 0.00 H new ATOM 712 N THR A 47 10.450 -4.570 14.923 1.00 0.00 N ATOM 713 CA THR A 47 11.876 -4.619 15.356 1.00 0.00 C ATOM 714 C THR A 47 12.770 -5.021 14.181 1.00 0.00 C ATOM 715 O THR A 47 13.903 -4.596 14.076 1.00 0.00 O ATOM 716 CB THR A 47 11.920 -5.686 16.453 1.00 0.00 C ATOM 717 OG1 THR A 47 11.628 -6.955 15.886 1.00 0.00 O ATOM 718 CG2 THR A 47 10.888 -5.354 17.530 1.00 0.00 C ATOM 0 H THR A 47 9.934 -5.444 15.026 1.00 0.00 H new ATOM 0 HA THR A 47 12.234 -3.653 15.712 1.00 0.00 H new ATOM 0 HB THR A 47 12.913 -5.709 16.902 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.657 -7.640 16.586 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.920 -6.114 18.311 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.114 -4.379 17.963 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.893 -5.331 17.086 1.00 0.00 H new ATOM 726 N THR A 48 12.266 -5.836 13.294 1.00 0.00 N ATOM 727 CA THR A 48 13.085 -6.263 12.124 1.00 0.00 C ATOM 728 C THR A 48 12.394 -5.853 10.821 1.00 0.00 C ATOM 729 O THR A 48 12.921 -6.040 9.742 1.00 0.00 O ATOM 730 CB THR A 48 13.167 -7.786 12.233 1.00 0.00 C ATOM 731 OG1 THR A 48 11.854 -8.332 12.215 1.00 0.00 O ATOM 732 CG2 THR A 48 13.864 -8.171 13.538 1.00 0.00 C ATOM 0 H THR A 48 11.323 -6.224 13.329 1.00 0.00 H new ATOM 0 HA THR A 48 14.073 -5.802 12.119 1.00 0.00 H new ATOM 0 HB THR A 48 13.737 -8.180 11.391 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.905 -9.308 12.283 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.921 -9.257 13.613 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.871 -7.753 13.550 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.298 -7.778 14.383 1.00 0.00 H new ATOM 740 N GLY A 49 11.218 -5.293 10.912 1.00 0.00 N ATOM 741 CA GLY A 49 10.495 -4.871 9.680 1.00 0.00 C ATOM 742 C GLY A 49 10.096 -6.110 8.874 1.00 0.00 C ATOM 743 O GLY A 49 10.311 -6.180 7.680 1.00 0.00 O ATOM 0 H GLY A 49 10.727 -5.110 11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.608 -4.295 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.129 -4.221 9.078 1.00 0.00 H new ATOM 747 N GLN A 50 9.517 -7.087 9.516 1.00 0.00 N ATOM 748 CA GLN A 50 9.107 -8.319 8.784 1.00 0.00 C ATOM 749 C GLN A 50 7.652 -8.671 9.107 1.00 0.00 C ATOM 750 O GLN A 50 7.130 -8.306 10.142 1.00 0.00 O ATOM 751 CB GLN A 50 10.048 -9.413 9.291 1.00 0.00 C ATOM 752 CG GLN A 50 11.163 -9.639 8.269 1.00 0.00 C ATOM 753 CD GLN A 50 12.269 -10.485 8.902 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.039 -11.181 9.872 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.470 -10.457 8.391 1.00 0.00 N ATOM 0 H GLN A 50 9.310 -7.086 10.515 1.00 0.00 H new ATOM 0 HA GLN A 50 9.170 -8.195 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.474 -9.125 10.252 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.494 -10.338 9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.766 -10.141 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.567 -8.682 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.665 -9.874 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.214 -11.019 8.805 1.00 0.00 H new ATOM 764 N GLU A 51 6.997 -9.382 8.231 1.00 0.00 N ATOM 765 CA GLU A 51 5.578 -9.763 8.487 1.00 0.00 C ATOM 766 C GLU A 51 5.436 -11.288 8.474 1.00 0.00 C ATOM 767 O GLU A 51 6.139 -11.977 7.763 1.00 0.00 O ATOM 768 CB GLU A 51 4.786 -9.141 7.337 1.00 0.00 C ATOM 769 CG GLU A 51 4.951 -7.620 7.365 1.00 0.00 C ATOM 770 CD GLU A 51 4.171 -7.002 6.203 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.715 -7.751 5.357 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.045 -5.789 6.179 1.00 0.00 O ATOM 0 H GLU A 51 7.383 -9.716 7.348 1.00 0.00 H new ATOM 0 HA GLU A 51 5.223 -9.416 9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.136 -9.538 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.732 -9.404 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.589 -7.221 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.006 -7.356 7.290 1.00 0.00 H new ATOM 779 N GLY A 52 4.536 -11.822 9.254 1.00 0.00 N ATOM 780 CA GLY A 52 4.365 -13.301 9.278 1.00 0.00 C ATOM 781 C GLY A 52 3.038 -13.662 9.951 1.00 0.00 C ATOM 782 O GLY A 52 2.101 -12.888 9.962 1.00 0.00 O ATOM 0 H GLY A 52 3.915 -11.300 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.386 -13.695 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.193 -13.763 9.816 1.00 0.00 H new ATOM 786 N PHE A 53 2.962 -14.833 10.522 1.00 0.00 N ATOM 787 CA PHE A 53 1.707 -15.256 11.205 1.00 0.00 C ATOM 788 C PHE A 53 1.991 -15.530 12.684 1.00 0.00 C ATOM 789 O PHE A 53 2.969 -16.163 13.030 1.00 0.00 O ATOM 790 CB PHE A 53 1.282 -16.542 10.494 1.00 0.00 C ATOM 791 CG PHE A 53 0.946 -16.233 9.055 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.307 -15.704 8.727 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.889 -16.477 8.049 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.618 -15.418 7.392 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.578 -16.191 6.714 1.00 0.00 C ATOM 796 CZ PHE A 53 0.323 -15.661 6.386 1.00 0.00 C ATOM 0 H PHE A 53 3.718 -15.517 10.545 1.00 0.00 H new ATOM 0 HA PHE A 53 0.930 -14.493 11.160 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.084 -17.279 10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.418 -16.979 10.995 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.034 -15.516 9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.856 -16.886 8.303 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.585 -15.009 7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.305 -16.379 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.082 -15.440 5.357 1.00 0.00 H new ATOM 806 N ILE A 54 1.151 -15.054 13.561 1.00 0.00 N ATOM 807 CA ILE A 54 1.387 -15.287 15.013 1.00 0.00 C ATOM 808 C ILE A 54 0.148 -15.907 15.667 1.00 0.00 C ATOM 809 O ILE A 54 -0.967 -15.657 15.251 1.00 0.00 O ATOM 810 CB ILE A 54 1.666 -13.900 15.595 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.395 -13.049 15.525 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.774 -13.221 14.787 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.025 -12.570 16.930 1.00 0.00 C ATOM 0 H ILE A 54 0.314 -14.516 13.336 1.00 0.00 H new ATOM 0 HA ILE A 54 2.211 -15.978 15.189 1.00 0.00 H new ATOM 0 HB ILE A 54 1.980 -14.001 16.634 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.552 -12.194 14.867 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.423 -13.631 15.100 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.973 -12.233 15.201 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.681 -13.824 14.835 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.458 -13.122 13.748 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.880 -11.964 16.881 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.150 -13.432 17.574 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.841 -11.972 17.337 1.00 0.00 H new ATOM 825 N PRO A 55 0.391 -16.696 16.677 1.00 0.00 N ATOM 826 CA PRO A 55 -0.748 -17.341 17.382 1.00 0.00 C ATOM 827 C PRO A 55 -1.422 -16.334 18.316 1.00 0.00 C ATOM 828 O PRO A 55 -0.770 -15.629 19.059 1.00 0.00 O ATOM 829 CB PRO A 55 -0.102 -18.474 18.172 1.00 0.00 C ATOM 830 CG PRO A 55 1.313 -18.045 18.367 1.00 0.00 C ATOM 831 CD PRO A 55 1.680 -17.196 17.178 1.00 0.00 C ATOM 0 HA PRO A 55 -1.523 -17.702 16.705 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.604 -18.626 19.127 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.158 -19.417 17.628 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.421 -17.480 19.293 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.972 -18.910 18.442 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.341 -16.377 17.463 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.203 -17.779 16.419 1.00 0.00 H new ATOM 839 N PHE A 56 -2.722 -16.253 18.274 1.00 0.00 N ATOM 840 CA PHE A 56 -3.441 -15.281 19.146 1.00 0.00 C ATOM 841 C PHE A 56 -3.294 -15.656 20.625 1.00 0.00 C ATOM 842 O PHE A 56 -3.665 -14.900 21.501 1.00 0.00 O ATOM 843 CB PHE A 56 -4.907 -15.370 18.707 1.00 0.00 C ATOM 844 CG PHE A 56 -5.554 -16.597 19.309 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.319 -17.860 18.752 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.389 -16.470 20.426 1.00 0.00 C ATOM 847 CE1 PHE A 56 -5.920 -18.995 19.311 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.989 -17.604 20.985 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.754 -18.867 20.427 1.00 0.00 C ATOM 0 H PHE A 56 -3.320 -16.819 17.672 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.041 -14.272 19.047 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.444 -14.475 19.021 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.967 -15.413 17.620 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.674 -17.959 17.891 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.570 -15.496 20.856 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.740 -19.969 18.881 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.633 -17.505 21.846 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.217 -19.742 20.858 1.00 0.00 H new ATOM 859 N ASN A 57 -2.767 -16.814 20.918 1.00 0.00 N ATOM 860 CA ASN A 57 -2.616 -17.219 22.346 1.00 0.00 C ATOM 861 C ASN A 57 -1.290 -16.709 22.920 1.00 0.00 C ATOM 862 O ASN A 57 -1.161 -16.498 24.109 1.00 0.00 O ATOM 863 CB ASN A 57 -2.635 -18.748 22.326 1.00 0.00 C ATOM 864 CG ASN A 57 -2.766 -19.274 23.757 1.00 0.00 C ATOM 865 OD1 ASN A 57 -3.276 -18.591 24.624 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.325 -20.468 24.043 1.00 0.00 N ATOM 0 H ASN A 57 -2.436 -17.495 20.234 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.406 -16.803 22.972 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.467 -19.104 21.718 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.721 -19.128 21.869 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.408 -20.828 24.994 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.897 -21.041 23.316 1.00 0.00 H new ATOM 873 N PHE A 58 -0.303 -16.509 22.090 1.00 0.00 N ATOM 874 CA PHE A 58 1.008 -16.014 22.603 1.00 0.00 C ATOM 875 C PHE A 58 1.098 -14.494 22.448 1.00 0.00 C ATOM 876 O PHE A 58 2.129 -13.897 22.685 1.00 0.00 O ATOM 877 CB PHE A 58 2.063 -16.706 21.739 1.00 0.00 C ATOM 878 CG PHE A 58 1.908 -18.207 21.842 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.259 -18.775 22.947 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.415 -19.031 20.831 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.119 -20.165 23.038 1.00 0.00 C ATOM 882 CE2 PHE A 58 2.274 -20.421 20.922 1.00 0.00 C ATOM 883 CZ PHE A 58 1.627 -20.988 22.025 1.00 0.00 C ATOM 0 H PHE A 58 -0.346 -16.666 21.083 1.00 0.00 H new ATOM 0 HA PHE A 58 1.144 -16.233 23.662 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.959 -16.391 20.701 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.061 -16.412 22.063 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.867 -18.140 23.728 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.916 -18.594 19.980 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.619 -20.603 23.889 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.665 -21.056 20.140 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.519 -22.060 22.095 1.00 0.00 H new ATOM 893 N VAL A 59 0.026 -13.864 22.055 1.00 0.00 N ATOM 894 CA VAL A 59 0.051 -12.383 21.888 1.00 0.00 C ATOM 895 C VAL A 59 -1.209 -11.764 22.497 1.00 0.00 C ATOM 896 O VAL A 59 -2.288 -12.316 22.406 1.00 0.00 O ATOM 897 CB VAL A 59 0.084 -12.154 20.376 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.360 -12.769 19.796 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.138 -12.813 19.735 1.00 0.00 C ATOM 0 H VAL A 59 -0.866 -14.310 21.842 1.00 0.00 H new ATOM 0 HA VAL A 59 0.905 -11.925 22.387 1.00 0.00 H new ATOM 0 HB VAL A 59 0.070 -11.084 20.169 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.385 -12.607 18.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.231 -12.300 20.254 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.374 -13.839 20.002 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.116 -12.651 18.657 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.124 -13.883 19.941 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.046 -12.376 20.149 1.00 0.00 H new ATOM 909 N ALA A 60 -1.083 -10.623 23.117 1.00 0.00 N ATOM 910 CA ALA A 60 -2.278 -9.974 23.731 1.00 0.00 C ATOM 911 C ALA A 60 -2.170 -8.450 23.617 1.00 0.00 C ATOM 912 O ALA A 60 -1.091 -7.900 23.520 1.00 0.00 O ATOM 913 CB ALA A 60 -2.254 -10.405 25.197 1.00 0.00 C ATOM 0 H ALA A 60 -0.207 -10.112 23.225 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.205 -10.264 23.236 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.105 -9.967 25.719 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.311 -11.492 25.258 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.329 -10.064 25.661 1.00 0.00 H new ATOM 919 N LYS A 61 -3.281 -7.766 23.629 1.00 0.00 N ATOM 920 CA LYS A 61 -3.243 -6.280 23.522 1.00 0.00 C ATOM 921 C LYS A 61 -2.567 -5.678 24.757 1.00 0.00 C ATOM 922 O LYS A 61 -2.928 -5.972 25.879 1.00 0.00 O ATOM 923 CB LYS A 61 -4.709 -5.853 23.451 1.00 0.00 C ATOM 924 CG LYS A 61 -4.793 -4.377 23.055 1.00 0.00 C ATOM 925 CD LYS A 61 -6.261 -3.953 22.979 1.00 0.00 C ATOM 926 CE LYS A 61 -6.347 -2.485 22.557 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.778 -2.275 22.196 1.00 0.00 N ATOM 0 H LYS A 61 -4.213 -8.172 23.708 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.677 -5.941 22.654 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.242 -6.466 22.725 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.191 -6.010 24.416 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.263 -3.763 23.783 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.307 -4.219 22.092 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.795 -4.580 22.265 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.742 -4.093 23.947 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.042 -1.822 23.367 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.691 -2.278 21.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.919 -1.290 21.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.037 -2.915 21.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.377 -2.474 23.022 1.00 0.00 H new ATOM 941 N ALA A 62 -1.590 -4.836 24.559 1.00 0.00 N ATOM 942 CA ALA A 62 -0.892 -4.217 25.723 1.00 0.00 C ATOM 943 C ALA A 62 -1.861 -3.329 26.509 1.00 0.00 C ATOM 944 O ALA A 62 -2.703 -2.660 25.944 1.00 0.00 O ATOM 945 CB ALA A 62 0.230 -3.378 25.112 1.00 0.00 C ATOM 0 H ALA A 62 -1.245 -4.550 23.643 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.509 -4.963 26.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.792 -2.888 25.907 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.897 -4.023 24.540 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.198 -2.623 24.452 1.00 0.00 H new ATOM 951 N ASN A 63 -1.748 -3.316 27.810 1.00 0.00 N ATOM 952 CA ASN A 63 -2.663 -2.471 28.630 1.00 0.00 C ATOM 953 C ASN A 63 -1.878 -1.761 29.736 1.00 0.00 C ATOM 954 O ASN A 63 -0.858 -2.291 30.146 1.00 0.00 O ATOM 955 CB ASN A 63 -3.674 -3.448 29.230 1.00 0.00 C ATOM 956 CG ASN A 63 -4.267 -4.315 28.118 1.00 0.00 C ATOM 957 OD1 ASN A 63 -4.316 -5.523 28.234 1.00 0.00 O ATOM 958 ND2 ASN A 63 -4.726 -3.744 27.038 1.00 0.00 N ATOM 959 OXT ASN A 63 -2.311 -0.701 30.155 1.00 0.00 O ATOM 0 H ASN A 63 -1.062 -3.854 28.340 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.149 -1.695 28.039 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.189 -4.077 29.977 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.466 -2.900 29.740 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.126 -4.312 26.291 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.685 -2.729 26.941 1.00 0.00 H new TER 966 ASN A 63