USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 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 -151:sc= 0.106 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.119 USER MOD Set 2.1: A 18 SER OG : rot 28:sc= -0.507 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -0.439 K(o=-0.95,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0353 (180deg=-0.0353) USER MOD Single : A 2 SER OG : rot 180:sc= 0.249 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-6.2!) USER MOD Single : A 14 SER OG : rot 24:sc= -0.186 USER MOD Single : A 15 TYR OH : rot 14:sc= 1.5 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc=-0.00197 (180deg=-0.0309) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.437 K(o=-0.44,f=-4.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -7.3! C(o=-7.3!,f=-7.5!) USER MOD Single : A 57 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.468 5.495 15.515 1.00 0.00 N ATOM 2 CA GLY A 1 0.070 5.909 15.208 1.00 0.00 C ATOM 3 C GLY A 1 -0.830 5.589 16.403 1.00 0.00 C ATOM 4 O GLY A 1 -0.924 4.458 16.838 1.00 0.00 O ATOM 0 H1 GLY A 1 2.081 5.712 14.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.807 6.011 16.352 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.494 4.473 15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.035 6.976 14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.288 5.389 14.320 1.00 0.00 H new ATOM 10 N SER A 2 -1.494 6.577 16.940 1.00 0.00 N ATOM 11 CA SER A 2 -2.388 6.328 18.108 1.00 0.00 C ATOM 12 C SER A 2 -3.229 5.071 17.871 1.00 0.00 C ATOM 13 O SER A 2 -3.185 4.139 18.649 1.00 0.00 O ATOM 14 CB SER A 2 -3.283 7.565 18.197 1.00 0.00 C ATOM 15 OG SER A 2 -2.741 8.604 17.395 1.00 0.00 O ATOM 0 H SER A 2 -1.456 7.545 16.621 1.00 0.00 H new ATOM 0 HA SER A 2 -1.828 6.166 19.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.291 7.322 17.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.362 7.895 19.233 1.00 0.00 H new ATOM 0 HG SER A 2 -3.317 9.395 17.452 1.00 0.00 H new ATOM 21 N PRO A 3 -3.969 5.089 16.796 1.00 0.00 N ATOM 22 CA PRO A 3 -4.818 3.908 16.486 1.00 0.00 C ATOM 23 C PRO A 3 -3.941 2.694 16.168 1.00 0.00 C ATOM 24 O PRO A 3 -4.313 1.565 16.416 1.00 0.00 O ATOM 25 CB PRO A 3 -5.614 4.336 15.259 1.00 0.00 C ATOM 26 CG PRO A 3 -4.780 5.389 14.610 1.00 0.00 C ATOM 27 CD PRO A 3 -4.014 6.077 15.707 1.00 0.00 C ATOM 0 HA PRO A 3 -5.460 3.617 17.317 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.784 3.496 14.586 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.593 4.724 15.539 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.099 4.948 13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.406 6.100 14.071 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.012 6.353 15.379 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.510 6.995 16.023 1.00 0.00 H new ATOM 35 N LEU A 4 -2.778 2.920 15.620 1.00 0.00 N ATOM 36 CA LEU A 4 -1.877 1.779 15.288 1.00 0.00 C ATOM 37 C LEU A 4 -1.487 1.025 16.562 1.00 0.00 C ATOM 38 O LEU A 4 -1.316 -0.178 16.554 1.00 0.00 O ATOM 39 CB LEU A 4 -0.647 2.420 14.645 1.00 0.00 C ATOM 40 CG LEU A 4 -1.062 3.153 13.367 1.00 0.00 C ATOM 41 CD1 LEU A 4 0.188 3.614 12.615 1.00 0.00 C ATOM 42 CD2 LEU A 4 -1.875 2.210 12.479 1.00 0.00 C ATOM 0 H LEU A 4 -2.413 3.844 15.388 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.353 1.056 14.625 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.181 3.117 15.342 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.095 1.656 14.414 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.670 4.020 13.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.107 4.136 11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.766 4.287 13.248 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.797 2.748 12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.171 2.732 11.569 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.269 1.342 12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.766 1.883 13.015 1.00 0.00 H new ATOM 54 N GLN A 5 -1.345 1.722 17.656 1.00 0.00 N ATOM 55 CA GLN A 5 -0.966 1.044 18.928 1.00 0.00 C ATOM 56 C GLN A 5 -1.991 -0.041 19.272 1.00 0.00 C ATOM 57 O GLN A 5 -1.645 -1.112 19.731 1.00 0.00 O ATOM 58 CB GLN A 5 -0.979 2.149 19.986 1.00 0.00 C ATOM 59 CG GLN A 5 -0.366 1.619 21.284 1.00 0.00 C ATOM 60 CD GLN A 5 -0.440 2.702 22.362 1.00 0.00 C ATOM 61 OE1 GLN A 5 -1.513 3.151 22.715 1.00 0.00 O ATOM 62 NE2 GLN A 5 0.661 3.144 22.904 1.00 0.00 N ATOM 0 H GLN A 5 -1.475 2.731 17.724 1.00 0.00 H new ATOM 0 HA GLN A 5 0.006 0.555 18.863 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.417 3.013 19.632 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.001 2.485 20.164 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.899 0.727 21.613 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.671 1.328 21.117 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.562 2.768 22.608 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.621 3.866 23.624 1.00 0.00 H new ATOM 71 N ASP A 6 -3.249 0.228 19.053 1.00 0.00 N ATOM 72 CA ASP A 6 -4.293 -0.790 19.365 1.00 0.00 C ATOM 73 C ASP A 6 -3.932 -2.129 18.719 1.00 0.00 C ATOM 74 O ASP A 6 -4.187 -3.184 19.266 1.00 0.00 O ATOM 75 CB ASP A 6 -5.582 -0.232 18.763 1.00 0.00 C ATOM 76 CG ASP A 6 -5.987 1.040 19.511 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.420 1.290 20.562 1.00 0.00 O ATOM 78 OD2 ASP A 6 -6.857 1.740 19.022 1.00 0.00 O ATOM 0 H ASP A 6 -3.599 1.107 18.672 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.390 -0.970 20.436 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.437 -0.014 17.705 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.378 -0.974 18.829 1.00 0.00 H new ATOM 83 N ASN A 7 -3.341 -2.095 17.557 1.00 0.00 N ATOM 84 CA ASN A 7 -2.962 -3.365 16.873 1.00 0.00 C ATOM 85 C ASN A 7 -1.590 -3.839 17.363 1.00 0.00 C ATOM 86 O ASN A 7 -0.989 -4.727 16.792 1.00 0.00 O ATOM 87 CB ASN A 7 -2.911 -3.014 15.386 1.00 0.00 C ATOM 88 CG ASN A 7 -4.301 -2.578 14.917 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.429 -1.655 14.137 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.354 -3.206 15.364 1.00 0.00 N ATOM 0 H ASN A 7 -3.104 -1.242 17.050 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.667 -4.171 17.076 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.190 -2.214 15.215 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.574 -3.876 14.809 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.285 -2.922 15.059 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.246 -3.981 16.019 1.00 0.00 H new ATOM 97 N LEU A 8 -1.094 -3.254 18.418 1.00 0.00 N ATOM 98 CA LEU A 8 0.236 -3.672 18.947 1.00 0.00 C ATOM 99 C LEU A 8 0.058 -4.708 20.059 1.00 0.00 C ATOM 100 O LEU A 8 -0.894 -4.664 20.813 1.00 0.00 O ATOM 101 CB LEU A 8 0.862 -2.391 19.500 1.00 0.00 C ATOM 102 CG LEU A 8 2.345 -2.628 19.796 1.00 0.00 C ATOM 103 CD1 LEU A 8 2.483 -3.544 21.014 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.010 -3.287 18.585 1.00 0.00 C ATOM 0 H LEU A 8 -1.552 -2.505 18.937 1.00 0.00 H new ATOM 0 HA LEU A 8 0.861 -4.132 18.182 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.750 -1.580 18.780 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.344 -2.085 20.409 1.00 0.00 H new ATOM 0 HG LEU A 8 2.830 -1.674 20.002 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.539 -3.713 21.225 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.011 -3.075 21.877 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.997 -4.498 20.809 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.066 -3.455 18.797 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.525 -4.241 18.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.913 -2.635 17.717 1.00 0.00 H new ATOM 116 N VAL A 9 0.961 -5.642 20.166 1.00 0.00 N ATOM 117 CA VAL A 9 0.836 -6.680 21.230 1.00 0.00 C ATOM 118 C VAL A 9 2.221 -7.172 21.658 1.00 0.00 C ATOM 119 O VAL A 9 3.219 -6.870 21.035 1.00 0.00 O ATOM 120 CB VAL A 9 0.044 -7.816 20.582 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.374 -7.335 20.266 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.735 -8.247 19.288 1.00 0.00 C ATOM 0 H VAL A 9 1.780 -5.733 19.564 1.00 0.00 H new ATOM 0 HA VAL A 9 0.345 -6.296 22.124 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.003 -8.662 21.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.938 -8.145 19.804 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.868 -7.028 21.188 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.327 -6.489 19.581 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.170 -9.057 18.826 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.783 -7.401 18.602 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.745 -8.591 19.512 1.00 0.00 H new ATOM 132 N ILE A 10 2.285 -7.933 22.717 1.00 0.00 N ATOM 133 CA ILE A 10 3.602 -8.451 23.185 1.00 0.00 C ATOM 134 C ILE A 10 3.637 -9.976 23.062 1.00 0.00 C ATOM 135 O ILE A 10 2.642 -10.646 23.254 1.00 0.00 O ATOM 136 CB ILE A 10 3.696 -8.030 24.651 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.528 -6.514 24.762 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.062 -8.435 25.208 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.594 -6.101 26.233 1.00 0.00 C ATOM 0 H ILE A 10 1.482 -8.218 23.278 1.00 0.00 H new ATOM 0 HA ILE A 10 4.434 -8.062 22.597 1.00 0.00 H new ATOM 0 HB ILE A 10 2.908 -8.522 25.221 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.310 -6.008 24.196 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.574 -6.210 24.330 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.132 -8.136 26.254 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.180 -9.516 25.131 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.849 -7.942 24.636 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.474 -5.021 26.313 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.796 -6.597 26.786 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.559 -6.391 26.649 1.00 0.00 H new ATOM 151 N ALA A 11 4.773 -10.532 22.743 1.00 0.00 N ATOM 152 CA ALA A 11 4.862 -12.014 22.609 1.00 0.00 C ATOM 153 C ALA A 11 4.994 -12.666 23.988 1.00 0.00 C ATOM 154 O ALA A 11 6.018 -12.574 24.631 1.00 0.00 O ATOM 155 CB ALA A 11 6.120 -12.260 21.777 1.00 0.00 C ATOM 0 H ALA A 11 5.642 -10.026 22.570 1.00 0.00 H new ATOM 0 HA ALA A 11 3.974 -12.440 22.143 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.257 -13.332 21.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.016 -11.774 20.807 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.986 -11.850 22.297 1.00 0.00 H new ATOM 161 N LEU A 12 3.972 -13.339 24.444 1.00 0.00 N ATOM 162 CA LEU A 12 4.062 -14.004 25.775 1.00 0.00 C ATOM 163 C LEU A 12 5.084 -15.140 25.706 1.00 0.00 C ATOM 164 O LEU A 12 5.658 -15.541 26.699 1.00 0.00 O ATOM 165 CB LEU A 12 2.661 -14.555 26.041 1.00 0.00 C ATOM 166 CG LEU A 12 1.640 -13.419 25.942 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.253 -13.949 26.308 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.028 -12.298 26.907 1.00 0.00 C ATOM 0 H LEU A 12 3.084 -13.457 23.956 1.00 0.00 H new ATOM 0 HA LEU A 12 4.381 -13.325 26.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.423 -15.337 25.320 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.619 -15.011 27.030 1.00 0.00 H new ATOM 0 HG LEU A 12 1.625 -13.031 24.923 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.475 -13.141 26.238 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.024 -14.748 25.620 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.269 -14.336 27.327 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.301 -11.489 26.836 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.043 -12.684 27.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.017 -11.920 26.647 1.00 0.00 H new ATOM 180 N HIS A 13 5.311 -15.656 24.530 1.00 0.00 N ATOM 181 CA HIS A 13 6.293 -16.765 24.368 1.00 0.00 C ATOM 182 C HIS A 13 6.792 -16.798 22.921 1.00 0.00 C ATOM 183 O HIS A 13 6.117 -16.348 22.017 1.00 0.00 O ATOM 184 CB HIS A 13 5.508 -18.034 24.693 1.00 0.00 C ATOM 185 CG HIS A 13 5.326 -18.144 26.182 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.222 -17.616 26.832 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.096 -18.720 27.161 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.358 -17.880 28.144 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.483 -18.553 28.399 1.00 0.00 N ATOM 0 H HIS A 13 4.855 -15.355 23.668 1.00 0.00 H new ATOM 0 HA HIS A 13 7.166 -16.653 25.011 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.537 -18.011 24.198 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.037 -18.909 24.315 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.036 -19.226 26.996 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.645 -17.584 28.899 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.820 -18.875 29.306 1.00 0.00 H new ATOM 197 N SER A 14 7.960 -17.326 22.687 1.00 0.00 N ATOM 198 CA SER A 14 8.480 -17.378 21.290 1.00 0.00 C ATOM 199 C SER A 14 7.618 -18.319 20.446 1.00 0.00 C ATOM 200 O SER A 14 7.214 -19.373 20.896 1.00 0.00 O ATOM 201 CB SER A 14 9.905 -17.919 21.414 1.00 0.00 C ATOM 202 OG SER A 14 10.490 -18.008 20.122 1.00 0.00 O ATOM 0 H SER A 14 8.575 -17.722 23.397 1.00 0.00 H new ATOM 0 HA SER A 14 8.459 -16.403 20.803 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.500 -17.264 22.051 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.893 -18.900 21.888 1.00 0.00 H new ATOM 0 HG SER A 14 10.039 -17.385 19.515 1.00 0.00 H new ATOM 208 N TYR A 15 7.330 -17.952 19.226 1.00 0.00 N ATOM 209 CA TYR A 15 6.493 -18.839 18.367 1.00 0.00 C ATOM 210 C TYR A 15 7.381 -19.709 17.475 1.00 0.00 C ATOM 211 O TYR A 15 8.507 -19.362 17.176 1.00 0.00 O ATOM 212 CB TYR A 15 5.643 -17.892 17.520 1.00 0.00 C ATOM 213 CG TYR A 15 4.801 -18.703 16.563 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.547 -19.175 16.965 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.277 -18.988 15.277 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.769 -19.934 16.082 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.498 -19.745 14.394 1.00 0.00 C ATOM 218 CZ TYR A 15 3.244 -20.218 14.797 1.00 0.00 C ATOM 219 OH TYR A 15 2.477 -20.967 13.928 1.00 0.00 O ATOM 0 H TYR A 15 7.636 -17.082 18.789 1.00 0.00 H new ATOM 0 HA TYR A 15 5.877 -19.518 18.957 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.004 -17.285 18.162 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.284 -17.205 16.967 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.179 -18.954 17.956 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.245 -18.624 14.967 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.802 -20.300 16.393 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.865 -19.964 13.402 1.00 0.00 H new ATOM 0 HH TYR A 15 1.562 -21.033 14.273 1.00 0.00 H new ATOM 229 N GLU A 16 6.883 -20.837 17.050 1.00 0.00 N ATOM 230 CA GLU A 16 7.696 -21.732 16.177 1.00 0.00 C ATOM 231 C GLU A 16 7.192 -21.659 14.734 1.00 0.00 C ATOM 232 O GLU A 16 6.015 -21.811 14.480 1.00 0.00 O ATOM 233 CB GLU A 16 7.488 -23.135 16.744 1.00 0.00 C ATOM 234 CG GLU A 16 7.967 -23.174 18.197 1.00 0.00 C ATOM 235 CD GLU A 16 6.772 -23.417 19.121 1.00 0.00 C ATOM 236 OE1 GLU A 16 5.964 -24.270 18.800 1.00 0.00 O ATOM 237 OE2 GLU A 16 6.687 -22.743 20.136 1.00 0.00 O ATOM 0 H GLU A 16 5.947 -21.179 17.269 1.00 0.00 H new ATOM 0 HA GLU A 16 8.749 -21.450 16.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.434 -23.408 16.690 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.037 -23.864 16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.707 -23.964 18.326 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.455 -22.234 18.456 1.00 0.00 H new ATOM 244 N PRO A 17 8.106 -21.424 13.833 1.00 0.00 N ATOM 245 CA PRO A 17 7.702 -21.335 12.406 1.00 0.00 C ATOM 246 C PRO A 17 7.708 -22.723 11.761 1.00 0.00 C ATOM 247 O PRO A 17 8.645 -23.099 11.086 1.00 0.00 O ATOM 248 CB PRO A 17 8.763 -20.444 11.774 1.00 0.00 C ATOM 249 CG PRO A 17 9.961 -20.599 12.650 1.00 0.00 C ATOM 250 CD PRO A 17 9.452 -20.867 14.041 1.00 0.00 C ATOM 0 HA PRO A 17 6.694 -20.940 12.278 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.979 -20.751 10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.434 -19.406 11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.589 -21.420 12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.574 -19.698 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.095 -21.569 14.572 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.417 -19.954 14.635 1.00 0.00 H new ATOM 258 N SER A 18 6.668 -23.482 11.961 1.00 0.00 N ATOM 259 CA SER A 18 6.613 -24.842 11.352 1.00 0.00 C ATOM 260 C SER A 18 6.204 -24.739 9.881 1.00 0.00 C ATOM 261 O SER A 18 6.133 -25.726 9.175 1.00 0.00 O ATOM 262 CB SER A 18 5.553 -25.593 12.156 1.00 0.00 C ATOM 263 OG SER A 18 4.289 -24.970 11.971 1.00 0.00 O ATOM 0 H SER A 18 5.854 -23.221 12.518 1.00 0.00 H new ATOM 0 HA SER A 18 7.577 -25.351 11.380 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.508 -26.634 11.836 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.818 -25.596 13.213 1.00 0.00 H new ATOM 0 HG SER A 18 4.266 -24.530 11.096 1.00 0.00 H new ATOM 269 N HIS A 19 5.931 -23.550 9.414 1.00 0.00 N ATOM 270 CA HIS A 19 5.524 -23.383 7.990 1.00 0.00 C ATOM 271 C HIS A 19 6.194 -22.143 7.391 1.00 0.00 C ATOM 272 O HIS A 19 6.470 -21.182 8.080 1.00 0.00 O ATOM 273 CB HIS A 19 4.006 -23.208 8.032 1.00 0.00 C ATOM 274 CG HIS A 19 3.372 -24.464 8.562 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.890 -24.560 9.859 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.133 -25.686 7.984 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.392 -25.800 10.016 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.514 -26.528 8.903 1.00 0.00 N ATOM 0 H HIS A 19 5.972 -22.688 9.957 1.00 0.00 H new ATOM 0 HA HIS A 19 5.819 -24.231 7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.744 -22.360 8.665 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.626 -22.989 7.034 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.387 -25.954 6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.948 -26.163 10.931 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.217 -27.493 8.758 1.00 0.00 H new ATOM 286 N ASP A 20 6.458 -22.159 6.114 1.00 0.00 N ATOM 287 CA ASP A 20 7.112 -20.981 5.472 1.00 0.00 C ATOM 288 C ASP A 20 6.146 -19.792 5.438 1.00 0.00 C ATOM 289 O ASP A 20 5.021 -19.907 4.994 1.00 0.00 O ATOM 290 CB ASP A 20 7.447 -21.439 4.053 1.00 0.00 C ATOM 291 CG ASP A 20 8.482 -22.564 4.110 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.037 -22.779 5.174 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.701 -23.193 3.087 1.00 0.00 O ATOM 0 H ASP A 20 6.250 -22.936 5.486 1.00 0.00 H new ATOM 0 HA ASP A 20 7.999 -20.654 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.545 -21.786 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.835 -20.603 3.472 1.00 0.00 H new ATOM 298 N GLY A 21 6.580 -18.650 5.898 1.00 0.00 N ATOM 299 CA GLY A 21 5.689 -17.455 5.888 1.00 0.00 C ATOM 300 C GLY A 21 5.205 -17.159 7.310 1.00 0.00 C ATOM 301 O GLY A 21 4.528 -16.180 7.553 1.00 0.00 O ATOM 0 H GLY A 21 7.513 -18.493 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.225 -16.594 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.836 -17.631 5.233 1.00 0.00 H new ATOM 305 N ASP A 22 5.545 -17.997 8.251 1.00 0.00 N ATOM 306 CA ASP A 22 5.101 -17.760 9.656 1.00 0.00 C ATOM 307 C ASP A 22 6.158 -16.961 10.424 1.00 0.00 C ATOM 308 O ASP A 22 7.285 -16.826 9.990 1.00 0.00 O ATOM 309 CB ASP A 22 4.942 -19.157 10.258 1.00 0.00 C ATOM 310 CG ASP A 22 3.709 -19.833 9.659 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.161 -19.293 8.712 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.332 -20.881 10.157 1.00 0.00 O ATOM 0 H ASP A 22 6.110 -18.834 8.109 1.00 0.00 H new ATOM 0 HA ASP A 22 4.177 -17.184 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.831 -19.755 10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.842 -19.089 11.341 1.00 0.00 H new ATOM 317 N LEU A 23 5.804 -16.436 11.566 1.00 0.00 N ATOM 318 CA LEU A 23 6.788 -15.650 12.365 1.00 0.00 C ATOM 319 C LEU A 23 7.027 -16.329 13.717 1.00 0.00 C ATOM 320 O LEU A 23 6.104 -16.579 14.466 1.00 0.00 O ATOM 321 CB LEU A 23 6.141 -14.278 12.557 1.00 0.00 C ATOM 322 CG LEU A 23 7.203 -13.269 13.000 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.258 -13.123 11.901 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.543 -11.912 13.257 1.00 0.00 C ATOM 0 H LEU A 23 4.876 -16.517 11.980 1.00 0.00 H new ATOM 0 HA LEU A 23 7.757 -15.574 11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.678 -13.949 11.627 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.349 -14.339 13.303 1.00 0.00 H new ATOM 0 HG LEU A 23 7.678 -13.621 13.916 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.015 -12.404 12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.729 -14.089 11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.783 -12.772 10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.299 -11.193 13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.067 -11.560 12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.792 -12.015 14.040 1.00 0.00 H new ATOM 336 N GLY A 24 8.257 -16.633 14.032 1.00 0.00 N ATOM 337 CA GLY A 24 8.550 -17.300 15.332 1.00 0.00 C ATOM 338 C GLY A 24 9.183 -16.295 16.296 1.00 0.00 C ATOM 339 O GLY A 24 10.234 -16.536 16.856 1.00 0.00 O ATOM 0 H GLY A 24 9.071 -16.448 13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.632 -17.701 15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.224 -18.143 15.176 1.00 0.00 H new ATOM 343 N PHE A 25 8.555 -15.168 16.493 1.00 0.00 N ATOM 344 CA PHE A 25 9.118 -14.144 17.419 1.00 0.00 C ATOM 345 C PHE A 25 9.519 -14.778 18.753 1.00 0.00 C ATOM 346 O PHE A 25 9.301 -15.950 18.985 1.00 0.00 O ATOM 347 CB PHE A 25 7.983 -13.136 17.624 1.00 0.00 C ATOM 348 CG PHE A 25 6.736 -13.855 18.093 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.813 -14.344 17.159 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.500 -14.030 19.462 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.658 -15.007 17.593 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.345 -14.693 19.895 1.00 0.00 C ATOM 353 CZ PHE A 25 4.424 -15.180 18.960 1.00 0.00 C ATOM 0 H PHE A 25 7.673 -14.911 16.051 1.00 0.00 H new ATOM 0 HA PHE A 25 10.017 -13.679 17.015 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.279 -12.386 18.357 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.781 -12.608 16.692 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.992 -14.209 16.103 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.209 -13.653 20.184 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.948 -15.384 16.872 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.165 -14.829 20.951 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.533 -15.689 19.295 1.00 0.00 H new ATOM 363 N GLU A 26 10.107 -14.007 19.630 1.00 0.00 N ATOM 364 CA GLU A 26 10.526 -14.557 20.951 1.00 0.00 C ATOM 365 C GLU A 26 9.641 -13.986 22.066 1.00 0.00 C ATOM 366 O GLU A 26 8.756 -13.188 21.825 1.00 0.00 O ATOM 367 CB GLU A 26 11.976 -14.103 21.127 1.00 0.00 C ATOM 368 CG GLU A 26 12.823 -14.647 19.975 1.00 0.00 C ATOM 369 CD GLU A 26 12.753 -16.176 19.970 1.00 0.00 C ATOM 370 OE1 GLU A 26 12.357 -16.734 20.979 1.00 0.00 O ATOM 371 OE2 GLU A 26 13.099 -16.762 18.957 1.00 0.00 O ATOM 0 H GLU A 26 10.315 -13.019 19.487 1.00 0.00 H new ATOM 0 HA GLU A 26 10.432 -15.642 20.997 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.028 -13.014 21.148 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.367 -14.459 22.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.461 -14.252 19.025 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.857 -14.320 20.083 1.00 0.00 H new ATOM 378 N LYS A 27 9.874 -14.383 23.287 1.00 0.00 N ATOM 379 CA LYS A 27 9.042 -13.860 24.408 1.00 0.00 C ATOM 380 C LYS A 27 9.340 -12.378 24.650 1.00 0.00 C ATOM 381 O LYS A 27 10.479 -11.963 24.712 1.00 0.00 O ATOM 382 CB LYS A 27 9.449 -14.692 25.624 1.00 0.00 C ATOM 383 CG LYS A 27 8.683 -14.202 26.855 1.00 0.00 C ATOM 384 CD LYS A 27 8.863 -15.202 27.999 1.00 0.00 C ATOM 385 CE LYS A 27 7.864 -14.887 29.112 1.00 0.00 C ATOM 386 NZ LYS A 27 8.463 -13.739 29.849 1.00 0.00 N ATOM 0 H LYS A 27 10.602 -15.045 23.557 1.00 0.00 H new ATOM 0 HA LYS A 27 7.975 -13.936 24.197 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.236 -15.746 25.445 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.523 -14.608 25.793 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.047 -13.220 27.156 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.625 -14.091 26.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.710 -16.218 27.635 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.881 -15.151 28.384 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.887 -14.629 28.704 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.719 -15.746 29.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.762 -14.052 30.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.288 -13.382 29.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.758 -12.980 29.942 1.00 0.00 H new ATOM 400 N GLY A 28 8.317 -11.580 24.791 1.00 0.00 N ATOM 401 CA GLY A 28 8.531 -10.128 25.034 1.00 0.00 C ATOM 402 C GLY A 28 8.639 -9.390 23.699 1.00 0.00 C ATOM 403 O GLY A 28 8.541 -8.180 23.642 1.00 0.00 O ATOM 0 H GLY A 28 7.341 -11.873 24.748 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.705 -9.722 25.619 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.439 -9.978 25.618 1.00 0.00 H new ATOM 407 N GLU A 29 8.846 -10.100 22.623 1.00 0.00 N ATOM 408 CA GLU A 29 8.965 -9.417 21.303 1.00 0.00 C ATOM 409 C GLU A 29 7.648 -8.732 20.935 1.00 0.00 C ATOM 410 O GLU A 29 6.611 -9.359 20.855 1.00 0.00 O ATOM 411 CB GLU A 29 9.289 -10.525 20.302 1.00 0.00 C ATOM 412 CG GLU A 29 10.805 -10.621 20.121 1.00 0.00 C ATOM 413 CD GLU A 29 11.122 -10.993 18.672 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.197 -11.055 17.881 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.288 -11.209 18.379 1.00 0.00 O ATOM 0 H GLU A 29 8.937 -11.116 22.600 1.00 0.00 H new ATOM 0 HA GLU A 29 9.732 -8.643 21.314 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.893 -11.477 20.656 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.810 -10.317 19.345 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.273 -9.670 20.374 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.216 -11.369 20.798 1.00 0.00 H new ATOM 422 N GLN A 30 7.683 -7.449 20.706 1.00 0.00 N ATOM 423 CA GLN A 30 6.435 -6.725 20.336 1.00 0.00 C ATOM 424 C GLN A 30 6.128 -6.953 18.856 1.00 0.00 C ATOM 425 O GLN A 30 7.007 -6.916 18.019 1.00 0.00 O ATOM 426 CB GLN A 30 6.738 -5.251 20.607 1.00 0.00 C ATOM 427 CG GLN A 30 6.913 -5.036 22.112 1.00 0.00 C ATOM 428 CD GLN A 30 7.273 -3.574 22.380 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.966 -2.953 21.597 1.00 0.00 O ATOM 430 NE2 GLN A 30 6.830 -2.993 23.462 1.00 0.00 N ATOM 0 H GLN A 30 8.521 -6.871 20.759 1.00 0.00 H new ATOM 0 HA GLN A 30 5.567 -7.067 20.900 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.643 -4.951 20.078 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.927 -4.627 20.231 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.994 -5.297 22.637 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.696 -5.691 22.495 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.249 -3.514 24.119 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.065 -2.019 23.650 1.00 0.00 H new ATOM 439 N LEU A 31 4.891 -7.196 18.525 1.00 0.00 N ATOM 440 CA LEU A 31 4.540 -7.434 17.096 1.00 0.00 C ATOM 441 C LEU A 31 3.298 -6.628 16.708 1.00 0.00 C ATOM 442 O LEU A 31 2.473 -6.300 17.537 1.00 0.00 O ATOM 443 CB LEU A 31 4.251 -8.933 17.002 1.00 0.00 C ATOM 444 CG LEU A 31 5.353 -9.718 17.716 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.909 -11.172 17.890 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.635 -9.671 16.882 1.00 0.00 C ATOM 0 H LEU A 31 4.110 -7.240 19.179 1.00 0.00 H new ATOM 0 HA LEU A 31 5.340 -7.127 16.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.283 -9.155 17.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.194 -9.237 15.957 1.00 0.00 H new ATOM 0 HG LEU A 31 5.541 -9.275 18.694 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.693 -11.733 18.399 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.995 -11.205 18.484 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.722 -11.615 16.912 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.420 -10.230 17.390 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.449 -10.114 15.904 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.950 -8.635 16.757 1.00 0.00 H new ATOM 458 N ARG A 32 3.160 -6.313 15.452 1.00 0.00 N ATOM 459 CA ARG A 32 1.973 -5.533 15.002 1.00 0.00 C ATOM 460 C ARG A 32 0.920 -6.478 14.411 1.00 0.00 C ATOM 461 O ARG A 32 1.219 -7.312 13.579 1.00 0.00 O ATOM 462 CB ARG A 32 2.518 -4.580 13.933 1.00 0.00 C ATOM 463 CG ARG A 32 1.387 -4.142 12.998 1.00 0.00 C ATOM 464 CD ARG A 32 1.920 -3.126 11.985 1.00 0.00 C ATOM 465 NE ARG A 32 2.762 -2.191 12.783 1.00 0.00 N ATOM 466 CZ ARG A 32 3.877 -1.731 12.285 1.00 0.00 C ATOM 467 NH1 ARG A 32 5.020 -2.192 12.711 1.00 0.00 N ATOM 468 NH2 ARG A 32 3.847 -0.812 11.359 1.00 0.00 N ATOM 0 H ARG A 32 3.819 -6.562 14.715 1.00 0.00 H new ATOM 0 HA ARG A 32 1.488 -4.994 15.816 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.968 -3.708 14.407 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.304 -5.073 13.361 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.976 -5.007 12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.574 -3.702 13.576 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.504 -3.615 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.105 -2.598 11.489 1.00 0.00 H new ATOM 0 HE ARG A 32 2.467 -1.911 13.718 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.042 -2.912 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.892 -1.833 12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.952 -0.454 11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.718 -0.452 10.969 1.00 0.00 H new ATOM 482 N ILE A 33 -0.309 -6.353 14.831 1.00 0.00 N ATOM 483 CA ILE A 33 -1.377 -7.245 14.290 1.00 0.00 C ATOM 484 C ILE A 33 -1.733 -6.832 12.858 1.00 0.00 C ATOM 485 O ILE A 33 -2.260 -5.763 12.622 1.00 0.00 O ATOM 486 CB ILE A 33 -2.574 -7.043 15.220 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.159 -7.347 16.661 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.705 -7.987 14.807 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.271 -6.908 17.615 1.00 0.00 C ATOM 0 H ILE A 33 -0.621 -5.673 15.524 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.064 -8.288 14.252 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.917 -6.011 15.151 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.965 -8.413 16.778 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.232 -6.826 16.901 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.559 -7.844 15.469 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.002 -7.772 13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.361 -9.019 14.876 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.976 -7.124 18.642 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.443 -5.837 17.505 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.187 -7.449 17.379 1.00 0.00 H new ATOM 501 N LEU A 34 -1.451 -7.675 11.902 1.00 0.00 N ATOM 502 CA LEU A 34 -1.774 -7.332 10.487 1.00 0.00 C ATOM 503 C LEU A 34 -3.214 -7.735 10.161 1.00 0.00 C ATOM 504 O LEU A 34 -3.923 -7.036 9.466 1.00 0.00 O ATOM 505 CB LEU A 34 -0.786 -8.144 9.649 1.00 0.00 C ATOM 506 CG LEU A 34 0.626 -7.590 9.849 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.588 -8.287 8.885 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.626 -6.085 9.572 1.00 0.00 C ATOM 0 H LEU A 34 -1.012 -8.585 12.039 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.692 -6.263 10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.821 -9.194 9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.061 -8.097 8.595 1.00 0.00 H new ATOM 0 HG LEU A 34 0.946 -7.771 10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.594 -7.893 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.587 -9.359 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.269 -8.106 7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.631 -5.689 9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.306 -5.904 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.060 -5.589 10.259 1.00 0.00 H new ATOM 520 N GLU A 35 -3.651 -8.858 10.664 1.00 0.00 N ATOM 521 CA GLU A 35 -5.045 -9.306 10.386 1.00 0.00 C ATOM 522 C GLU A 35 -5.666 -9.898 11.654 1.00 0.00 C ATOM 523 O GLU A 35 -4.973 -10.264 12.583 1.00 0.00 O ATOM 524 CB GLU A 35 -4.912 -10.374 9.302 1.00 0.00 C ATOM 525 CG GLU A 35 -4.303 -9.750 8.044 1.00 0.00 C ATOM 526 CD GLU A 35 -4.294 -10.784 6.917 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.558 -11.941 7.199 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.021 -10.401 5.791 1.00 0.00 O ATOM 0 H GLU A 35 -3.103 -9.484 11.255 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.689 -8.486 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.284 -11.191 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.889 -10.799 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.878 -8.874 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.288 -9.410 8.248 1.00 0.00 H new ATOM 535 N GLN A 36 -6.965 -9.995 11.700 1.00 0.00 N ATOM 536 CA GLN A 36 -7.626 -10.563 12.910 1.00 0.00 C ATOM 537 C GLN A 36 -8.851 -11.386 12.504 1.00 0.00 C ATOM 538 O GLN A 36 -9.966 -11.086 12.882 1.00 0.00 O ATOM 539 CB GLN A 36 -8.045 -9.346 13.736 1.00 0.00 C ATOM 540 CG GLN A 36 -8.455 -9.797 15.139 1.00 0.00 C ATOM 541 CD GLN A 36 -8.964 -8.591 15.931 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.911 -7.943 15.533 1.00 0.00 O ATOM 543 NE2 GLN A 36 -8.369 -8.259 17.044 1.00 0.00 N ATOM 0 H GLN A 36 -7.598 -9.706 10.954 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.969 -11.229 13.469 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.222 -8.634 13.798 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.875 -8.832 13.251 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.232 -10.559 15.076 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.606 -10.250 15.650 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.574 -8.803 17.379 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.699 -7.456 17.579 1.00 0.00 H new ATOM 552 N SER A 37 -8.651 -12.422 11.736 1.00 0.00 N ATOM 553 CA SER A 37 -9.803 -13.265 11.306 1.00 0.00 C ATOM 554 C SER A 37 -9.486 -14.746 11.528 1.00 0.00 C ATOM 555 O SER A 37 -8.515 -15.267 11.015 1.00 0.00 O ATOM 556 CB SER A 37 -9.973 -12.970 9.815 1.00 0.00 C ATOM 557 OG SER A 37 -11.138 -13.622 9.334 1.00 0.00 O ATOM 0 H SER A 37 -7.740 -12.721 11.388 1.00 0.00 H new ATOM 0 HA SER A 37 -10.709 -13.047 11.871 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.052 -11.895 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.098 -13.313 9.263 1.00 0.00 H new ATOM 0 HG SER A 37 -11.249 -13.432 8.379 1.00 0.00 H new ATOM 563 N GLY A 38 -10.296 -15.428 12.291 1.00 0.00 N ATOM 564 CA GLY A 38 -10.040 -16.873 12.544 1.00 0.00 C ATOM 565 C GLY A 38 -9.204 -17.027 13.817 1.00 0.00 C ATOM 566 O GLY A 38 -8.800 -16.057 14.426 1.00 0.00 O ATOM 0 H GLY A 38 -11.123 -15.047 12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.984 -17.408 12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.516 -17.315 11.696 1.00 0.00 H new ATOM 570 N GLU A 39 -8.944 -18.240 14.222 1.00 0.00 N ATOM 571 CA GLU A 39 -8.136 -18.458 15.457 1.00 0.00 C ATOM 572 C GLU A 39 -6.733 -17.867 15.284 1.00 0.00 C ATOM 573 O GLU A 39 -6.141 -17.368 16.221 1.00 0.00 O ATOM 574 CB GLU A 39 -8.063 -19.976 15.618 1.00 0.00 C ATOM 575 CG GLU A 39 -9.476 -20.540 15.786 1.00 0.00 C ATOM 576 CD GLU A 39 -9.403 -22.060 15.948 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.337 -22.609 15.726 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.415 -22.647 16.292 1.00 0.00 O ATOM 0 H GLU A 39 -9.256 -19.090 13.752 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.577 -17.976 16.330 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.583 -20.422 14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.453 -20.232 16.484 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.956 -20.093 16.657 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.086 -20.285 14.920 1.00 0.00 H new ATOM 585 N TRP A 40 -6.198 -17.920 14.096 1.00 0.00 N ATOM 586 CA TRP A 40 -4.834 -17.362 13.867 1.00 0.00 C ATOM 587 C TRP A 40 -4.930 -15.972 13.232 1.00 0.00 C ATOM 588 O TRP A 40 -5.862 -15.673 12.511 1.00 0.00 O ATOM 589 CB TRP A 40 -4.161 -18.348 12.910 1.00 0.00 C ATOM 590 CG TRP A 40 -3.846 -19.613 13.641 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.728 -20.611 13.883 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.580 -20.035 14.227 1.00 0.00 C ATOM 593 NE1 TRP A 40 -4.084 -21.617 14.580 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.759 -21.308 14.817 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.308 -19.441 14.303 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.712 -21.969 15.460 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.253 -20.103 14.950 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.454 -21.364 15.528 1.00 0.00 C ATOM 0 H TRP A 40 -6.645 -18.325 13.274 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.272 -17.246 14.794 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.817 -18.557 12.065 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.248 -17.912 12.504 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.765 -20.620 13.581 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.533 -22.482 14.882 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.142 -18.470 13.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.873 -22.941 15.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.720 -19.638 15.003 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.362 -21.867 16.025 1.00 0.00 H new ATOM 609 N TRP A 41 -3.975 -15.120 13.495 1.00 0.00 N ATOM 610 CA TRP A 41 -4.016 -13.748 12.907 1.00 0.00 C ATOM 611 C TRP A 41 -2.670 -13.403 12.264 1.00 0.00 C ATOM 612 O TRP A 41 -1.653 -13.992 12.573 1.00 0.00 O ATOM 613 CB TRP A 41 -4.285 -12.816 14.088 1.00 0.00 C ATOM 614 CG TRP A 41 -5.681 -13.009 14.581 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.714 -13.472 13.839 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.216 -12.749 15.910 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.848 -13.516 14.632 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.591 -13.080 15.917 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.643 -12.264 17.099 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.372 -12.934 17.064 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.426 -12.116 18.256 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.787 -12.450 18.238 1.00 0.00 C ATOM 0 H TRP A 41 -3.170 -15.314 14.090 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.776 -13.661 12.130 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.576 -13.018 14.891 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.137 -11.779 13.785 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.662 -13.760 12.799 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.762 -13.832 14.307 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.595 -12.004 17.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.420 -13.193 17.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.977 -11.743 19.164 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.384 -12.334 19.131 1.00 0.00 H new ATOM 633 N LYS A 42 -2.654 -12.442 11.380 1.00 0.00 N ATOM 634 CA LYS A 42 -1.374 -12.046 10.728 1.00 0.00 C ATOM 635 C LYS A 42 -0.682 -10.968 11.567 1.00 0.00 C ATOM 636 O LYS A 42 -1.330 -10.152 12.194 1.00 0.00 O ATOM 637 CB LYS A 42 -1.779 -11.491 9.363 1.00 0.00 C ATOM 638 CG LYS A 42 -0.535 -11.318 8.490 1.00 0.00 C ATOM 639 CD LYS A 42 -0.921 -10.606 7.191 1.00 0.00 C ATOM 640 CE LYS A 42 0.276 -10.594 6.240 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.173 -9.784 5.072 1.00 0.00 N ATOM 0 H LYS A 42 -3.474 -11.914 11.081 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.676 -12.878 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.484 -12.167 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.287 -10.534 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.220 -10.741 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.095 -12.290 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.765 -11.113 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.240 -9.586 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.153 -10.153 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.551 -11.605 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.595 -9.728 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.005 -10.232 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.422 -8.825 5.389 1.00 0.00 H new ATOM 655 N ALA A 43 0.622 -10.956 11.595 1.00 0.00 N ATOM 656 CA ALA A 43 1.332 -9.926 12.407 1.00 0.00 C ATOM 657 C ALA A 43 2.657 -9.533 11.747 1.00 0.00 C ATOM 658 O ALA A 43 3.124 -10.182 10.832 1.00 0.00 O ATOM 659 CB ALA A 43 1.588 -10.599 13.756 1.00 0.00 C ATOM 0 H ALA A 43 1.224 -11.610 11.095 1.00 0.00 H new ATOM 0 HA ALA A 43 0.749 -9.010 12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.109 -9.905 14.416 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.637 -10.883 14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.200 -11.489 13.608 1.00 0.00 H new ATOM 665 N GLN A 44 3.265 -8.475 12.211 1.00 0.00 N ATOM 666 CA GLN A 44 4.561 -8.035 11.621 1.00 0.00 C ATOM 667 C GLN A 44 5.455 -7.433 12.709 1.00 0.00 C ATOM 668 O GLN A 44 4.979 -6.937 13.711 1.00 0.00 O ATOM 669 CB GLN A 44 4.187 -6.976 10.584 1.00 0.00 C ATOM 670 CG GLN A 44 5.441 -6.210 10.158 1.00 0.00 C ATOM 671 CD GLN A 44 5.063 -5.151 9.120 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.910 -5.021 8.759 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.994 -4.383 8.621 1.00 0.00 N ATOM 0 H GLN A 44 2.919 -7.895 12.975 1.00 0.00 H new ATOM 0 HA GLN A 44 5.115 -8.861 11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.725 -7.448 9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.452 -6.288 11.001 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.903 -5.737 11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.176 -6.898 9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.962 -4.492 8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.753 -3.674 7.928 1.00 0.00 H new ATOM 682 N SER A 45 6.747 -7.470 12.524 1.00 0.00 N ATOM 683 CA SER A 45 7.660 -6.897 13.552 1.00 0.00 C ATOM 684 C SER A 45 7.790 -5.385 13.359 1.00 0.00 C ATOM 685 O SER A 45 7.772 -4.888 12.250 1.00 0.00 O ATOM 686 CB SER A 45 9.005 -7.586 13.321 1.00 0.00 C ATOM 687 OG SER A 45 9.761 -7.564 14.523 1.00 0.00 O ATOM 0 H SER A 45 7.208 -7.871 11.707 1.00 0.00 H new ATOM 0 HA SER A 45 7.292 -7.057 14.565 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.848 -8.615 12.997 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.552 -7.081 12.525 1.00 0.00 H new ATOM 0 HG SER A 45 10.717 -7.566 14.308 1.00 0.00 H new ATOM 693 N LEU A 46 7.922 -4.650 14.428 1.00 0.00 N ATOM 694 CA LEU A 46 8.053 -3.171 14.301 1.00 0.00 C ATOM 695 C LEU A 46 9.530 -2.779 14.206 1.00 0.00 C ATOM 696 O LEU A 46 9.869 -1.714 13.731 1.00 0.00 O ATOM 697 CB LEU A 46 7.430 -2.606 15.577 1.00 0.00 C ATOM 698 CG LEU A 46 7.534 -1.080 15.563 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.618 -0.515 14.476 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.110 -0.527 16.925 1.00 0.00 C ATOM 0 H LEU A 46 7.945 -5.008 15.383 1.00 0.00 H new ATOM 0 HA LEU A 46 7.563 -2.788 13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.386 -2.909 15.650 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.940 -3.008 16.452 1.00 0.00 H new ATOM 0 HG LEU A 46 8.564 -0.789 15.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.692 0.572 14.466 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.920 -0.908 13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.588 -0.806 14.681 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.184 0.560 16.915 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.080 -0.819 17.132 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.763 -0.928 17.700 1.00 0.00 H new ATOM 712 N THR A 47 10.409 -3.629 14.657 1.00 0.00 N ATOM 713 CA THR A 47 11.862 -3.301 14.595 1.00 0.00 C ATOM 714 C THR A 47 12.544 -4.103 13.483 1.00 0.00 C ATOM 715 O THR A 47 13.549 -3.692 12.939 1.00 0.00 O ATOM 716 CB THR A 47 12.419 -3.697 15.963 1.00 0.00 C ATOM 717 OG1 THR A 47 13.746 -3.206 16.091 1.00 0.00 O ATOM 718 CG2 THR A 47 12.421 -5.220 16.095 1.00 0.00 C ATOM 0 H THR A 47 10.185 -4.536 15.066 1.00 0.00 H new ATOM 0 HA THR A 47 12.035 -2.248 14.374 1.00 0.00 H new ATOM 0 HB THR A 47 11.795 -3.269 16.748 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.105 -3.457 16.968 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.818 -5.500 17.071 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.402 -5.595 15.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.044 -5.652 15.312 1.00 0.00 H new ATOM 726 N THR A 48 12.011 -5.245 13.142 1.00 0.00 N ATOM 727 CA THR A 48 12.641 -6.064 12.067 1.00 0.00 C ATOM 728 C THR A 48 11.886 -5.873 10.749 1.00 0.00 C ATOM 729 O THR A 48 12.451 -5.983 9.678 1.00 0.00 O ATOM 730 CB THR A 48 12.517 -7.510 12.550 1.00 0.00 C ATOM 731 OG1 THR A 48 12.784 -7.565 13.945 1.00 0.00 O ATOM 732 CG2 THR A 48 13.519 -8.389 11.801 1.00 0.00 C ATOM 0 H THR A 48 11.170 -5.645 13.559 1.00 0.00 H new ATOM 0 HA THR A 48 13.678 -5.782 11.884 1.00 0.00 H new ATOM 0 HB THR A 48 11.507 -7.872 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.703 -8.490 14.257 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.429 -9.419 12.147 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.313 -8.346 10.732 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.531 -8.030 11.990 1.00 0.00 H new ATOM 740 N GLY A 49 10.615 -5.594 10.819 1.00 0.00 N ATOM 741 CA GLY A 49 9.826 -5.405 9.569 1.00 0.00 C ATOM 742 C GLY A 49 9.462 -6.777 9.000 1.00 0.00 C ATOM 743 O GLY A 49 9.185 -6.921 7.826 1.00 0.00 O ATOM 0 H GLY A 49 10.088 -5.489 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.923 -4.831 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.404 -4.836 8.841 1.00 0.00 H new ATOM 747 N GLN A 50 9.466 -7.786 9.827 1.00 0.00 N ATOM 748 CA GLN A 50 9.126 -9.153 9.341 1.00 0.00 C ATOM 749 C GLN A 50 7.631 -9.426 9.529 1.00 0.00 C ATOM 750 O GLN A 50 7.066 -9.155 10.570 1.00 0.00 O ATOM 751 CB GLN A 50 9.955 -10.098 10.211 1.00 0.00 C ATOM 752 CG GLN A 50 9.830 -11.526 9.678 1.00 0.00 C ATOM 753 CD GLN A 50 10.643 -12.472 10.562 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.405 -12.035 11.401 1.00 0.00 O ATOM 755 NE2 GLN A 50 10.514 -13.763 10.409 1.00 0.00 N ATOM 0 H GLN A 50 9.690 -7.723 10.820 1.00 0.00 H new ATOM 0 HA GLN A 50 9.341 -9.279 8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.000 -9.788 10.209 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.611 -10.053 11.244 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.784 -11.831 9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.188 -11.574 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.875 -14.132 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.053 -14.402 10.994 1.00 0.00 H new ATOM 764 N GLU A 51 6.989 -9.968 8.531 1.00 0.00 N ATOM 765 CA GLU A 51 5.533 -10.264 8.655 1.00 0.00 C ATOM 766 C GLU A 51 5.301 -11.776 8.597 1.00 0.00 C ATOM 767 O GLU A 51 5.833 -12.461 7.747 1.00 0.00 O ATOM 768 CB GLU A 51 4.881 -9.576 7.455 1.00 0.00 C ATOM 769 CG GLU A 51 5.297 -8.104 7.420 1.00 0.00 C ATOM 770 CD GLU A 51 4.610 -7.409 6.242 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.142 -8.108 5.358 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.564 -6.189 6.244 1.00 0.00 O ATOM 0 H GLU A 51 7.409 -10.219 7.636 1.00 0.00 H new ATOM 0 HA GLU A 51 5.118 -9.911 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.181 -10.071 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.796 -9.656 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.023 -7.615 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.380 -8.023 7.323 1.00 0.00 H new ATOM 779 N GLY A 52 4.513 -12.301 9.494 1.00 0.00 N ATOM 780 CA GLY A 52 4.254 -13.769 9.483 1.00 0.00 C ATOM 781 C GLY A 52 2.988 -14.072 10.286 1.00 0.00 C ATOM 782 O GLY A 52 2.582 -13.307 11.138 1.00 0.00 O ATOM 0 H GLY A 52 4.039 -11.780 10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.139 -14.121 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.104 -14.302 9.910 1.00 0.00 H new ATOM 786 N PHE A 53 2.361 -15.184 10.018 1.00 0.00 N ATOM 787 CA PHE A 53 1.121 -15.540 10.763 1.00 0.00 C ATOM 788 C PHE A 53 1.450 -15.821 12.231 1.00 0.00 C ATOM 789 O PHE A 53 2.471 -16.396 12.551 1.00 0.00 O ATOM 790 CB PHE A 53 0.597 -16.803 10.078 1.00 0.00 C ATOM 791 CG PHE A 53 0.091 -16.453 8.698 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.163 -15.848 8.546 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.876 -16.729 7.572 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.632 -15.523 7.268 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.407 -16.403 6.294 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.847 -15.800 6.142 1.00 0.00 C ATOM 0 H PHE A 53 2.654 -15.862 9.315 1.00 0.00 H new ATOM 0 HA PHE A 53 0.385 -14.736 10.751 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.390 -17.548 10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.205 -17.245 10.670 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.768 -15.632 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.844 -17.194 7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.600 -15.058 7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.012 -16.617 5.426 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.209 -15.548 5.156 1.00 0.00 H new ATOM 806 N ILE A 54 0.591 -15.417 13.126 1.00 0.00 N ATOM 807 CA ILE A 54 0.854 -15.657 14.573 1.00 0.00 C ATOM 808 C ILE A 54 -0.401 -16.208 15.252 1.00 0.00 C ATOM 809 O ILE A 54 -1.492 -16.092 14.730 1.00 0.00 O ATOM 810 CB ILE A 54 1.210 -14.285 15.143 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.034 -13.327 14.940 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.444 -13.737 14.421 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.409 -12.767 16.293 1.00 0.00 C ATOM 0 H ILE A 54 -0.281 -14.931 12.918 1.00 0.00 H new ATOM 0 HA ILE A 54 1.649 -16.385 14.733 1.00 0.00 H new ATOM 0 HB ILE A 54 1.423 -14.379 16.208 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.325 -12.513 14.276 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.795 -13.848 14.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.698 -12.758 14.827 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.282 -14.419 14.565 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.231 -13.644 13.356 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.247 -12.085 16.148 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.717 -13.586 16.943 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.420 -12.230 16.754 1.00 0.00 H new ATOM 825 N PRO A 55 -0.201 -16.790 16.402 1.00 0.00 N ATOM 826 CA PRO A 55 -1.364 -17.352 17.134 1.00 0.00 C ATOM 827 C PRO A 55 -1.959 -16.294 18.068 1.00 0.00 C ATOM 828 O PRO A 55 -1.335 -15.296 18.371 1.00 0.00 O ATOM 829 CB PRO A 55 -0.779 -18.515 17.926 1.00 0.00 C ATOM 830 CG PRO A 55 0.664 -18.178 18.096 1.00 0.00 C ATOM 831 CD PRO A 55 1.065 -17.341 16.907 1.00 0.00 C ATOM 0 HA PRO A 55 -2.171 -17.669 16.474 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.275 -18.625 18.890 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.904 -19.458 17.394 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.825 -17.631 19.025 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.268 -19.084 18.151 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.756 -16.549 17.194 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.567 -17.943 16.149 1.00 0.00 H new ATOM 839 N PHE A 56 -3.165 -16.500 18.519 1.00 0.00 N ATOM 840 CA PHE A 56 -3.803 -15.502 19.424 1.00 0.00 C ATOM 841 C PHE A 56 -3.440 -15.783 20.888 1.00 0.00 C ATOM 842 O PHE A 56 -3.838 -15.062 21.780 1.00 0.00 O ATOM 843 CB PHE A 56 -5.307 -15.673 19.200 1.00 0.00 C ATOM 844 CG PHE A 56 -5.789 -16.923 19.902 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.690 -18.166 19.266 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.333 -16.836 21.189 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.136 -19.322 19.917 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.778 -17.993 21.840 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.680 -19.235 21.204 1.00 0.00 C ATOM 0 H PHE A 56 -3.737 -17.316 18.300 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.468 -14.487 19.213 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.842 -14.802 19.579 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.520 -15.738 18.133 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.270 -18.233 18.273 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.409 -15.877 21.680 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.060 -20.281 19.426 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.197 -17.927 22.833 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.024 -20.127 21.706 1.00 0.00 H new ATOM 859 N ASN A 57 -2.700 -16.827 21.146 1.00 0.00 N ATOM 860 CA ASN A 57 -2.334 -17.146 22.558 1.00 0.00 C ATOM 861 C ASN A 57 -0.911 -16.672 22.877 1.00 0.00 C ATOM 862 O ASN A 57 -0.580 -16.411 24.017 1.00 0.00 O ATOM 863 CB ASN A 57 -2.421 -18.669 22.650 1.00 0.00 C ATOM 864 CG ASN A 57 -2.622 -19.082 24.110 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.552 -18.259 25.001 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.872 -20.331 24.394 1.00 0.00 N ATOM 0 H ASN A 57 -2.334 -17.471 20.445 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.992 -16.648 23.270 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.248 -19.034 22.041 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.511 -19.120 22.255 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.009 -20.616 25.364 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.931 -21.022 23.646 1.00 0.00 H new ATOM 873 N PHE A 58 -0.062 -16.564 21.890 1.00 0.00 N ATOM 874 CA PHE A 58 1.335 -16.113 22.164 1.00 0.00 C ATOM 875 C PHE A 58 1.407 -14.584 22.207 1.00 0.00 C ATOM 876 O PHE A 58 2.412 -14.012 22.578 1.00 0.00 O ATOM 877 CB PHE A 58 2.173 -16.651 21.001 1.00 0.00 C ATOM 878 CG PHE A 58 2.291 -18.154 21.109 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.167 -18.966 20.908 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.528 -18.735 21.411 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.283 -20.358 21.009 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.643 -20.127 21.511 1.00 0.00 C ATOM 883 CZ PHE A 58 2.520 -20.938 21.310 1.00 0.00 C ATOM 0 H PHE A 58 -0.272 -16.767 20.913 1.00 0.00 H new ATOM 0 HA PHE A 58 1.694 -16.476 23.127 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.711 -16.380 20.052 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.164 -16.197 21.014 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.212 -18.519 20.675 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.394 -18.109 21.567 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.417 -20.984 20.854 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.598 -20.575 21.743 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.608 -22.012 21.387 1.00 0.00 H new ATOM 893 N VAL A 59 0.351 -13.918 21.830 1.00 0.00 N ATOM 894 CA VAL A 59 0.369 -12.427 21.852 1.00 0.00 C ATOM 895 C VAL A 59 -0.882 -11.891 22.553 1.00 0.00 C ATOM 896 O VAL A 59 -1.960 -12.436 22.425 1.00 0.00 O ATOM 897 CB VAL A 59 0.381 -12.010 20.381 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.589 -12.638 19.684 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.905 -12.488 19.704 1.00 0.00 C ATOM 0 H VAL A 59 -0.521 -14.339 21.509 1.00 0.00 H new ATOM 0 HA VAL A 59 1.228 -12.033 22.395 1.00 0.00 H new ATOM 0 HB VAL A 59 0.445 -10.924 20.311 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.599 -12.341 18.635 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.505 -12.297 20.166 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.525 -13.724 19.753 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.896 -12.191 18.655 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.970 -13.574 19.773 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.766 -12.040 20.201 1.00 0.00 H new ATOM 909 N ALA A 60 -0.746 -10.824 23.293 1.00 0.00 N ATOM 910 CA ALA A 60 -1.927 -10.252 24.001 1.00 0.00 C ATOM 911 C ALA A 60 -2.024 -8.747 23.736 1.00 0.00 C ATOM 912 O ALA A 60 -1.048 -8.100 23.415 1.00 0.00 O ATOM 913 CB ALA A 60 -1.667 -10.520 25.483 1.00 0.00 C ATOM 0 H ALA A 60 0.131 -10.324 23.438 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.865 -10.694 23.665 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.494 -10.128 26.074 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.580 -11.594 25.649 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.741 -10.030 25.784 1.00 0.00 H new ATOM 919 N LYS A 61 -3.195 -8.187 23.870 1.00 0.00 N ATOM 920 CA LYS A 61 -3.352 -6.724 23.625 1.00 0.00 C ATOM 921 C LYS A 61 -2.631 -5.926 24.714 1.00 0.00 C ATOM 922 O LYS A 61 -2.759 -6.205 25.890 1.00 0.00 O ATOM 923 CB LYS A 61 -4.860 -6.473 23.685 1.00 0.00 C ATOM 924 CG LYS A 61 -5.540 -7.181 22.512 1.00 0.00 C ATOM 925 CD LYS A 61 -7.017 -6.782 22.463 1.00 0.00 C ATOM 926 CE LYS A 61 -7.749 -7.660 21.446 1.00 0.00 C ATOM 927 NZ LYS A 61 -9.181 -7.261 21.559 1.00 0.00 N ATOM 0 H LYS A 61 -4.048 -8.677 24.138 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.925 -6.416 22.671 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.264 -6.840 24.629 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.064 -5.403 23.646 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.048 -6.913 21.577 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.447 -8.261 22.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.468 -6.895 23.449 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.112 -5.732 22.188 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.371 -7.496 20.437 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.615 -8.719 21.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.751 -7.819 20.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.514 -7.435 22.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.278 -6.250 21.336 1.00 0.00 H new ATOM 941 N ALA A 62 -1.874 -4.934 24.333 1.00 0.00 N ATOM 942 CA ALA A 62 -1.145 -4.118 25.347 1.00 0.00 C ATOM 943 C ALA A 62 -2.137 -3.483 26.325 1.00 0.00 C ATOM 944 O ALA A 62 -1.835 -3.280 27.485 1.00 0.00 O ATOM 945 CB ALA A 62 -0.421 -3.040 24.541 1.00 0.00 C ATOM 0 H ALA A 62 -1.728 -4.653 23.363 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.453 -4.716 25.940 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.141 -2.396 25.217 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.264 -3.511 23.836 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.151 -2.443 23.994 1.00 0.00 H new ATOM 951 N ASN A 63 -3.317 -3.168 25.867 1.00 0.00 N ATOM 952 CA ASN A 63 -4.327 -2.546 26.771 1.00 0.00 C ATOM 953 C ASN A 63 -5.583 -3.419 26.841 1.00 0.00 C ATOM 954 O ASN A 63 -5.930 -4.006 25.829 1.00 0.00 O ATOM 955 CB ASN A 63 -4.648 -1.193 26.136 1.00 0.00 C ATOM 956 CG ASN A 63 -3.396 -0.312 26.150 1.00 0.00 C ATOM 957 OD1 ASN A 63 -2.451 -0.592 26.861 1.00 0.00 O ATOM 958 ND2 ASN A 63 -3.350 0.747 25.390 1.00 0.00 N ATOM 959 OXT ASN A 63 -6.177 -3.484 27.904 1.00 0.00 O ATOM 0 H ASN A 63 -3.626 -3.314 24.906 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.958 -2.439 27.791 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.996 -1.333 25.112 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.455 -0.705 26.683 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.521 1.341 25.392 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.143 0.981 24.793 1.00 0.00 H new TER 966 ASN A 63