USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 852 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 79 GLN : amide:sc= -2.86! C(o=-4!,f=-12!) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.15 K(o=-4,f=-12!) USER MOD Set 1.3: A 96 GLN : amide:sc= 0 K(o=-4,f=-6.7!) 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 3 SER OG : rot -160:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.2 F(o=-1.9!,f=-0.2) USER MOD Single : A 21 THR OG1 : rot -58:sc= 0.298! USER MOD Single : A 25 SER OG : rot -75:sc= 0.852 USER MOD Single : A 26 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.15) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 30 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -2.5! (180deg=-2.5!) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.21! C(o=-8.4!,f=-6.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.349 K(o=-0.35,f=-0.98) USER MOD Single : A 51 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.7!) USER MOD Single : A 55 GLN :FLIP amide:sc= -5.52! C(o=-9.9!,f=-5.5!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 0.694 (180deg=-2.3!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.25 USER MOD Single : A 82 SER OG : rot 59:sc= -5.3! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0018 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.67 F(o=-2.2!,f=-0.67) USER MOD Single : A 92 ASN : amide:sc= -0.818 K(o=-0.82,f=-2.3!) USER MOD Single : A 100 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.8!) USER MOD Single : A 101 GLN : amide:sc= -1.44! C(o=-1.4!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.013 -17.391 36.944 1.00 0.00 N ATOM 2 CA GLY A 1 -3.017 -18.454 36.656 1.00 0.00 C ATOM 3 C GLY A 1 -4.164 -17.871 35.835 1.00 0.00 C ATOM 4 O GLY A 1 -4.298 -18.163 34.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.233 -17.792 37.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.639 -17.015 36.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.465 -16.623 37.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.547 -19.273 36.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.399 -18.869 37.589 1.00 0.00 H new ATOM 10 N SER A 2 -4.994 -17.054 36.477 1.00 0.00 N ATOM 11 CA SER A 2 -6.130 -16.444 35.793 1.00 0.00 C ATOM 12 C SER A 2 -5.791 -15.032 35.323 1.00 0.00 C ATOM 13 O SER A 2 -4.939 -14.360 35.906 1.00 0.00 O ATOM 14 CB SER A 2 -7.334 -16.391 36.733 1.00 0.00 C ATOM 15 OG SER A 2 -7.137 -15.356 37.687 1.00 0.00 O ATOM 0 H SER A 2 -4.903 -16.801 37.461 1.00 0.00 H new ATOM 0 HA SER A 2 -6.369 -17.053 34.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.246 -16.209 36.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.458 -17.349 37.238 1.00 0.00 H new ATOM 0 HG SER A 2 -7.908 -15.317 38.291 1.00 0.00 H new ATOM 21 N SER A 3 -6.471 -14.585 34.270 1.00 0.00 N ATOM 22 CA SER A 3 -6.241 -13.248 33.733 1.00 0.00 C ATOM 23 C SER A 3 -7.404 -12.325 34.084 1.00 0.00 C ATOM 24 O SER A 3 -8.566 -12.728 34.022 1.00 0.00 O ATOM 25 CB SER A 3 -6.090 -13.313 32.214 1.00 0.00 C ATOM 26 OG SER A 3 -7.333 -13.689 31.637 1.00 0.00 O ATOM 0 H SER A 3 -7.181 -15.125 33.775 1.00 0.00 H new ATOM 0 HA SER A 3 -5.326 -12.854 34.174 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.773 -12.345 31.826 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.317 -14.033 31.944 1.00 0.00 H new ATOM 0 HG SER A 3 -7.182 -14.037 30.734 1.00 0.00 H new ATOM 32 N LEU A 4 -7.085 -11.088 34.449 1.00 0.00 N ATOM 33 CA LEU A 4 -8.119 -10.122 34.801 1.00 0.00 C ATOM 34 C LEU A 4 -8.461 -9.250 33.596 1.00 0.00 C ATOM 35 O LEU A 4 -9.632 -9.055 33.271 1.00 0.00 O ATOM 36 CB LEU A 4 -7.639 -9.243 35.962 1.00 0.00 C ATOM 37 CG LEU A 4 -8.742 -8.258 36.366 1.00 0.00 C ATOM 38 CD1 LEU A 4 -9.768 -8.959 37.263 1.00 0.00 C ATOM 39 CD2 LEU A 4 -8.122 -7.084 37.131 1.00 0.00 C ATOM 0 H LEU A 4 -6.130 -10.733 34.509 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.014 -10.663 35.108 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.368 -9.867 36.813 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.742 -8.697 35.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.240 -7.893 35.468 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.548 -8.252 37.545 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.214 -9.794 36.722 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.273 -9.331 38.160 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.905 -6.383 37.419 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.622 -7.456 38.025 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.397 -6.577 36.494 1.00 0.00 H new ATOM 51 N SER A 5 -7.430 -8.736 32.934 1.00 0.00 N ATOM 52 CA SER A 5 -7.629 -7.894 31.760 1.00 0.00 C ATOM 53 C SER A 5 -6.698 -8.331 30.627 1.00 0.00 C ATOM 54 O SER A 5 -5.785 -7.599 30.247 1.00 0.00 O ATOM 55 CB SER A 5 -7.352 -6.432 32.118 1.00 0.00 C ATOM 56 OG SER A 5 -7.445 -6.268 33.526 1.00 0.00 O ATOM 0 H SER A 5 -6.454 -8.886 33.188 1.00 0.00 H new ATOM 0 HA SER A 5 -8.662 -7.997 31.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.360 -6.142 31.771 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.068 -5.781 31.616 1.00 0.00 H new ATOM 0 HG SER A 5 -7.266 -5.333 33.759 1.00 0.00 H new ATOM 62 N PRO A 6 -6.906 -9.506 30.088 1.00 0.00 N ATOM 63 CA PRO A 6 -6.061 -10.039 28.983 1.00 0.00 C ATOM 64 C PRO A 6 -5.852 -9.018 27.866 1.00 0.00 C ATOM 65 O PRO A 6 -6.760 -8.267 27.512 1.00 0.00 O ATOM 66 CB PRO A 6 -6.825 -11.265 28.459 1.00 0.00 C ATOM 67 CG PRO A 6 -8.079 -11.388 29.272 1.00 0.00 C ATOM 68 CD PRO A 6 -7.955 -10.456 30.476 1.00 0.00 C ATOM 0 HA PRO A 6 -5.061 -10.285 29.339 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.062 -11.147 27.402 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.217 -12.165 28.551 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.949 -11.122 28.672 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.221 -12.418 29.600 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.896 -9.947 30.685 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.682 -11.004 31.378 1.00 0.00 H new ATOM 76 N GLN A 7 -4.643 -9.006 27.314 1.00 0.00 N ATOM 77 CA GLN A 7 -4.303 -8.086 26.234 1.00 0.00 C ATOM 78 C GLN A 7 -4.258 -8.829 24.899 1.00 0.00 C ATOM 79 O GLN A 7 -3.648 -9.893 24.797 1.00 0.00 O ATOM 80 CB GLN A 7 -2.941 -7.448 26.514 1.00 0.00 C ATOM 81 CG GLN A 7 -2.604 -6.444 25.413 1.00 0.00 C ATOM 82 CD GLN A 7 -1.174 -5.941 25.593 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.238 -6.740 25.650 1.00 0.00 O ATOM 84 NE2 GLN A 7 -0.946 -4.660 25.688 1.00 0.00 N ATOM 0 H GLN A 7 -3.882 -9.623 27.597 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.065 -7.309 26.179 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.955 -6.948 27.483 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.172 -8.218 26.564 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.714 -6.912 24.435 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -3.301 -5.607 25.446 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.721 -3.999 25.641 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.008 -4.319 25.810 1.00 0.00 H new ATOM 93 N ALA A 8 -4.906 -8.268 23.881 1.00 0.00 N ATOM 94 CA ALA A 8 -4.922 -8.904 22.566 1.00 0.00 C ATOM 95 C ALA A 8 -5.718 -8.075 21.559 1.00 0.00 C ATOM 96 O ALA A 8 -6.505 -8.617 20.784 1.00 0.00 O ATOM 97 CB ALA A 8 -5.537 -10.299 22.677 1.00 0.00 C ATOM 0 H ALA A 8 -5.419 -7.388 23.938 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.894 -8.978 22.212 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.548 -10.771 21.695 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.945 -10.904 23.364 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.557 -10.218 23.052 1.00 0.00 H new ATOM 103 N LEU A 9 -5.505 -6.763 21.569 1.00 0.00 N ATOM 104 CA LEU A 9 -6.208 -5.881 20.643 1.00 0.00 C ATOM 105 C LEU A 9 -5.485 -5.824 19.299 1.00 0.00 C ATOM 106 O LEU A 9 -4.263 -5.955 19.236 1.00 0.00 O ATOM 107 CB LEU A 9 -6.324 -4.475 21.240 1.00 0.00 C ATOM 108 CG LEU A 9 -5.007 -3.712 21.064 1.00 0.00 C ATOM 109 CD1 LEU A 9 -5.147 -2.314 21.669 1.00 0.00 C ATOM 110 CD2 LEU A 9 -3.881 -4.462 21.779 1.00 0.00 C ATOM 0 H LEU A 9 -4.858 -6.290 22.201 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.209 -6.280 20.479 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.134 -3.932 20.754 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.575 -4.542 22.299 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.773 -3.631 20.002 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.211 -1.769 21.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.949 -1.777 21.163 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.380 -2.399 22.730 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.945 -3.918 21.653 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.114 -4.542 22.841 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.781 -5.460 21.353 1.00 0.00 H new ATOM 122 N ALA A 10 -6.248 -5.637 18.225 1.00 0.00 N ATOM 123 CA ALA A 10 -5.664 -5.574 16.889 1.00 0.00 C ATOM 124 C ALA A 10 -4.798 -4.329 16.730 1.00 0.00 C ATOM 125 O ALA A 10 -5.207 -3.224 17.087 1.00 0.00 O ATOM 126 CB ALA A 10 -6.768 -5.559 15.830 1.00 0.00 C ATOM 0 H ALA A 10 -7.262 -5.527 18.253 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.039 -6.457 16.755 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.320 -5.512 14.838 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.366 -6.466 15.915 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.406 -4.688 15.982 1.00 0.00 H new ATOM 132 N GLN A 11 -3.603 -4.519 16.181 1.00 0.00 N ATOM 133 CA GLN A 11 -2.682 -3.410 15.964 1.00 0.00 C ATOM 134 C GLN A 11 -2.858 -2.843 14.557 1.00 0.00 C ATOM 135 O GLN A 11 -3.231 -3.567 13.633 1.00 0.00 O ATOM 136 CB GLN A 11 -1.240 -3.894 16.147 1.00 0.00 C ATOM 137 CG GLN A 11 -1.159 -4.818 17.363 1.00 0.00 C ATOM 138 CD GLN A 11 0.282 -5.275 17.572 1.00 0.00 C ATOM 139 OE1 GLN A 11 1.166 -5.062 16.635 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 0.611 -5.839 18.614 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.251 -5.427 15.879 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.898 -2.626 16.690 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.907 -4.422 15.254 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.574 -3.042 16.280 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.517 -4.297 18.251 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.807 -5.683 17.218 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.081 -6.004 19.345 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.576 -6.141 18.748 1.00 0.00 H new ATOM 149 N PRO A 12 -2.587 -1.576 14.369 1.00 0.00 N ATOM 150 CA PRO A 12 -2.710 -0.919 13.039 1.00 0.00 C ATOM 151 C PRO A 12 -2.112 -1.777 11.926 1.00 0.00 C ATOM 152 O PRO A 12 -1.353 -2.709 12.191 1.00 0.00 O ATOM 153 CB PRO A 12 -1.933 0.399 13.188 1.00 0.00 C ATOM 154 CG PRO A 12 -1.400 0.438 14.590 1.00 0.00 C ATOM 155 CD PRO A 12 -2.143 -0.627 15.393 1.00 0.00 C ATOM 0 HA PRO A 12 -3.752 -0.764 12.761 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.119 0.451 12.465 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.583 1.253 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.327 0.245 14.598 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.550 1.424 15.030 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.493 -1.103 16.127 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.985 -0.203 15.940 1.00 0.00 H new ATOM 163 N LEU A 13 -2.457 -1.459 10.683 1.00 0.00 N ATOM 164 CA LEU A 13 -1.945 -2.211 9.548 1.00 0.00 C ATOM 165 C LEU A 13 -0.556 -1.715 9.190 1.00 0.00 C ATOM 166 O LEU A 13 -0.328 -0.508 9.083 1.00 0.00 O ATOM 167 CB LEU A 13 -2.871 -2.028 8.344 1.00 0.00 C ATOM 168 CG LEU A 13 -2.643 -3.145 7.325 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.653 -2.990 6.193 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.230 -3.045 6.749 1.00 0.00 C ATOM 0 H LEU A 13 -3.084 -0.692 10.439 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.899 -3.267 9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.910 -2.032 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.687 -1.059 7.879 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.764 -4.112 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.501 -3.781 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.664 -3.058 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.517 -2.020 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.075 -3.844 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.105 -2.080 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.501 -3.140 7.554 1.00 0.00 H new ATOM 182 N LEU A 14 0.373 -2.639 8.995 1.00 0.00 N ATOM 183 CA LEU A 14 1.720 -2.260 8.640 1.00 0.00 C ATOM 184 C LEU A 14 1.886 -2.306 7.130 1.00 0.00 C ATOM 185 O LEU A 14 1.776 -3.361 6.505 1.00 0.00 O ATOM 186 CB LEU A 14 2.709 -3.196 9.325 1.00 0.00 C ATOM 187 CG LEU A 14 2.469 -3.167 10.836 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.640 -3.836 11.556 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.340 -1.717 11.313 1.00 0.00 C ATOM 0 H LEU A 14 0.216 -3.643 9.077 1.00 0.00 H new ATOM 0 HA LEU A 14 1.917 -1.242 8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.590 -4.211 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.731 -2.890 9.102 1.00 0.00 H new ATOM 0 HG LEU A 14 1.548 -3.705 11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.466 -3.814 12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.728 -4.870 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.562 -3.301 11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.169 -1.702 12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.258 -1.175 11.084 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.501 -1.240 10.806 1.00 0.00 H new ATOM 201 N LEU A 15 2.129 -1.138 6.552 1.00 0.00 N ATOM 202 CA LEU A 15 2.288 -1.017 5.112 1.00 0.00 C ATOM 203 C LEU A 15 3.597 -0.303 4.791 1.00 0.00 C ATOM 204 O LEU A 15 3.896 0.743 5.367 1.00 0.00 O ATOM 205 CB LEU A 15 1.094 -0.224 4.561 1.00 0.00 C ATOM 206 CG LEU A 15 0.966 -0.406 3.047 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.192 0.184 2.353 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.846 -1.898 2.719 1.00 0.00 C ATOM 0 H LEU A 15 2.220 -0.259 7.061 1.00 0.00 H new ATOM 0 HA LEU A 15 2.319 -2.004 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.177 -0.554 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.216 0.834 4.795 1.00 0.00 H new ATOM 0 HG LEU A 15 0.074 0.111 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.098 0.053 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.265 1.247 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.089 -0.326 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.755 -2.027 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.734 -2.421 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.037 -2.309 3.209 1.00 0.00 H new ATOM 220 N GLN A 16 4.379 -0.867 3.872 1.00 0.00 N ATOM 221 CA GLN A 16 5.648 -0.252 3.504 1.00 0.00 C ATOM 222 C GLN A 16 5.761 -0.083 1.998 1.00 0.00 C ATOM 223 O GLN A 16 5.283 -0.914 1.225 1.00 0.00 O ATOM 224 CB GLN A 16 6.814 -1.101 4.012 1.00 0.00 C ATOM 225 CG GLN A 16 7.043 -0.817 5.497 1.00 0.00 C ATOM 226 CD GLN A 16 8.219 -1.639 6.010 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.793 -2.503 5.217 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.628 -1.493 7.162 1.00 0.00 N flip ATOM 0 H GLN A 16 4.160 -1.732 3.378 1.00 0.00 H new ATOM 0 HA GLN A 16 5.687 0.734 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.600 -2.159 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.717 -0.875 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.238 0.245 5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.145 -1.059 6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.179 -0.818 7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.416 -2.047 7.498 1.00 0.00 H new ATOM 237 N LEU A 17 6.408 1.001 1.592 1.00 0.00 N ATOM 238 CA LEU A 17 6.599 1.284 0.179 1.00 0.00 C ATOM 239 C LEU A 17 8.083 1.448 -0.131 1.00 0.00 C ATOM 240 O LEU A 17 8.777 2.236 0.510 1.00 0.00 O ATOM 241 CB LEU A 17 5.836 2.557 -0.209 1.00 0.00 C ATOM 242 CG LEU A 17 6.042 2.860 -1.697 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.141 1.961 -2.545 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.689 4.325 -1.969 1.00 0.00 C ATOM 0 H LEU A 17 6.808 1.697 2.221 1.00 0.00 H new ATOM 0 HA LEU A 17 6.211 0.447 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.774 2.432 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.184 3.397 0.393 1.00 0.00 H new ATOM 0 HG LEU A 17 7.084 2.673 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.295 2.184 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.387 0.916 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.098 2.141 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.834 4.544 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.648 4.504 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.333 4.971 -1.373 1.00 0.00 H new ATOM 256 N PHE A 18 8.563 0.702 -1.120 1.00 0.00 N ATOM 257 CA PHE A 18 9.968 0.782 -1.507 1.00 0.00 C ATOM 258 C PHE A 18 10.128 1.713 -2.699 1.00 0.00 C ATOM 259 O PHE A 18 9.554 1.478 -3.762 1.00 0.00 O ATOM 260 CB PHE A 18 10.485 -0.610 -1.871 1.00 0.00 C ATOM 261 CG PHE A 18 10.609 -1.444 -0.621 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.486 -2.093 -0.089 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.851 -1.573 0.003 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.612 -2.868 1.070 1.00 0.00 C ATOM 265 CE2 PHE A 18 11.978 -2.345 1.158 1.00 0.00 C ATOM 266 CZ PHE A 18 10.860 -2.994 1.694 1.00 0.00 C ATOM 0 H PHE A 18 8.007 0.042 -1.664 1.00 0.00 H new ATOM 0 HA PHE A 18 10.544 1.173 -0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.805 -1.090 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.453 -0.532 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.525 -1.995 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.716 -1.074 -0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.748 -3.368 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.940 -2.442 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.959 -3.592 2.588 1.00 0.00 H new ATOM 276 N VAL A 19 10.898 2.777 -2.512 1.00 0.00 N ATOM 277 CA VAL A 19 11.104 3.743 -3.583 1.00 0.00 C ATOM 278 C VAL A 19 12.567 4.162 -3.678 1.00 0.00 C ATOM 279 O VAL A 19 13.324 4.042 -2.713 1.00 0.00 O ATOM 280 CB VAL A 19 10.238 4.972 -3.319 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.831 4.520 -2.926 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.850 5.783 -2.175 1.00 0.00 C ATOM 0 H VAL A 19 11.384 2.992 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 19 10.824 3.277 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 19 10.187 5.588 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.208 5.394 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.397 3.934 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.884 3.909 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.235 6.662 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.895 5.168 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.857 6.098 -2.450 1.00 0.00 H new ATOM 292 N ASP A 20 12.951 4.670 -4.845 1.00 0.00 N ATOM 293 CA ASP A 20 14.317 5.130 -5.058 1.00 0.00 C ATOM 294 C ASP A 20 14.382 6.647 -4.901 1.00 0.00 C ATOM 295 O ASP A 20 15.341 7.286 -5.330 1.00 0.00 O ATOM 296 CB ASP A 20 14.802 4.729 -6.453 1.00 0.00 C ATOM 297 CG ASP A 20 14.006 5.469 -7.520 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.259 6.365 -7.159 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.161 5.135 -8.682 1.00 0.00 O ATOM 0 H ASP A 20 12.338 4.773 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 20 14.965 4.664 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.863 4.957 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.693 3.653 -6.588 1.00 0.00 H new ATOM 304 N THR A 21 13.346 7.205 -4.277 1.00 0.00 N ATOM 305 CA THR A 21 13.258 8.647 -4.049 1.00 0.00 C ATOM 306 C THR A 21 12.832 9.392 -5.314 1.00 0.00 C ATOM 307 O THR A 21 12.871 10.621 -5.358 1.00 0.00 O ATOM 308 CB THR A 21 14.605 9.193 -3.568 1.00 0.00 C ATOM 309 OG1 THR A 21 15.468 9.378 -4.681 1.00 0.00 O ATOM 310 CG2 THR A 21 15.237 8.210 -2.583 1.00 0.00 C ATOM 0 H THR A 21 12.551 6.677 -3.918 1.00 0.00 H new ATOM 0 HA THR A 21 12.500 8.810 -3.282 1.00 0.00 H new ATOM 0 HB THR A 21 14.450 10.150 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.586 8.525 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.196 8.602 -2.243 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.575 8.076 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.392 7.250 -3.076 1.00 0.00 H new ATOM 318 N ARG A 22 12.407 8.649 -6.332 1.00 0.00 N ATOM 319 CA ARG A 22 11.959 9.270 -7.576 1.00 0.00 C ATOM 320 C ARG A 22 10.587 9.916 -7.370 1.00 0.00 C ATOM 321 O ARG A 22 9.743 9.371 -6.658 1.00 0.00 O ATOM 322 CB ARG A 22 11.872 8.219 -8.683 1.00 0.00 C ATOM 323 CG ARG A 22 10.875 7.135 -8.271 1.00 0.00 C ATOM 324 CD ARG A 22 11.089 5.882 -9.121 1.00 0.00 C ATOM 325 NE ARG A 22 10.397 6.013 -10.399 1.00 0.00 N ATOM 326 CZ ARG A 22 10.598 5.139 -11.380 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.039 3.941 -11.109 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.357 5.479 -12.617 1.00 0.00 N ATOM 0 H ARG A 22 12.363 7.630 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 22 12.677 10.037 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.557 8.683 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.853 7.779 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.001 6.895 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.855 7.500 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.154 5.727 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.720 5.005 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 22 9.749 6.788 -10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.230 3.674 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.193 3.271 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.014 6.416 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.511 4.808 -13.370 1.00 0.00 H new ATOM 342 N PRO A 23 10.351 11.060 -7.963 1.00 0.00 N ATOM 343 CA PRO A 23 9.054 11.779 -7.819 1.00 0.00 C ATOM 344 C PRO A 23 7.866 10.873 -8.132 1.00 0.00 C ATOM 345 O PRO A 23 6.809 10.982 -7.511 1.00 0.00 O ATOM 346 CB PRO A 23 9.113 12.921 -8.840 1.00 0.00 C ATOM 347 CG PRO A 23 10.421 12.811 -9.559 1.00 0.00 C ATOM 348 CD PRO A 23 11.289 11.787 -8.823 1.00 0.00 C ATOM 0 HA PRO A 23 8.916 12.129 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.282 12.852 -9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.029 13.887 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.262 12.501 -10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.920 13.780 -9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.789 11.116 -9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.068 12.275 -8.237 1.00 0.00 H new ATOM 356 N LEU A 24 8.050 9.982 -9.101 1.00 0.00 N ATOM 357 CA LEU A 24 6.985 9.067 -9.490 1.00 0.00 C ATOM 358 C LEU A 24 6.487 8.300 -8.273 1.00 0.00 C ATOM 359 O LEU A 24 5.284 8.149 -8.068 1.00 0.00 O ATOM 360 CB LEU A 24 7.511 8.076 -10.526 1.00 0.00 C ATOM 361 CG LEU A 24 6.365 7.191 -11.019 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.550 7.949 -12.069 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.934 5.911 -11.638 1.00 0.00 C ATOM 0 H LEU A 24 8.918 9.875 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 24 6.164 9.643 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.956 8.613 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.297 7.460 -10.089 1.00 0.00 H new ATOM 0 HG LEU A 24 5.722 6.930 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.733 7.318 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.142 8.858 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.193 8.211 -12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.116 5.282 -11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.579 6.169 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.512 5.370 -10.889 1.00 0.00 H new ATOM 375 N SER A 25 7.424 7.831 -7.457 1.00 0.00 N ATOM 376 CA SER A 25 7.070 7.098 -6.253 1.00 0.00 C ATOM 377 C SER A 25 6.374 8.038 -5.280 1.00 0.00 C ATOM 378 O SER A 25 5.382 7.674 -4.648 1.00 0.00 O ATOM 379 CB SER A 25 8.324 6.513 -5.610 1.00 0.00 C ATOM 380 OG SER A 25 9.118 7.567 -5.083 1.00 0.00 O ATOM 0 H SER A 25 8.426 7.945 -7.607 1.00 0.00 H new ATOM 0 HA SER A 25 6.397 6.280 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.049 5.818 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.894 5.947 -6.347 1.00 0.00 H new ATOM 0 HG SER A 25 9.567 8.037 -5.817 1.00 0.00 H new ATOM 386 N GLN A 26 6.876 9.267 -5.198 1.00 0.00 N ATOM 387 CA GLN A 26 6.261 10.263 -4.336 1.00 0.00 C ATOM 388 C GLN A 26 4.864 10.518 -4.866 1.00 0.00 C ATOM 389 O GLN A 26 3.916 10.752 -4.117 1.00 0.00 O ATOM 390 CB GLN A 26 7.075 11.560 -4.363 1.00 0.00 C ATOM 391 CG GLN A 26 8.484 11.291 -3.831 1.00 0.00 C ATOM 392 CD GLN A 26 8.434 11.016 -2.332 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.880 9.963 -1.879 1.00 0.00 O ATOM 394 NE2 GLN A 26 7.910 11.904 -1.532 1.00 0.00 N ATOM 0 H GLN A 26 7.696 9.591 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 26 6.226 9.909 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.127 11.948 -5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.585 12.322 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.921 10.438 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.126 12.149 -4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.541 12.776 -1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.870 11.726 -0.529 1.00 0.00 H new ATOM 403 N HIS A 27 4.767 10.429 -6.183 1.00 0.00 N ATOM 404 CA HIS A 27 3.512 10.606 -6.885 1.00 0.00 C ATOM 405 C HIS A 27 2.557 9.510 -6.426 1.00 0.00 C ATOM 406 O HIS A 27 1.434 9.766 -5.977 1.00 0.00 O ATOM 407 CB HIS A 27 3.791 10.451 -8.379 1.00 0.00 C ATOM 408 CG HIS A 27 2.905 11.345 -9.188 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.552 11.496 -8.936 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.185 12.148 -10.260 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.070 12.365 -9.844 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.025 12.794 -10.677 1.00 0.00 N ATOM 0 H HIS A 27 5.560 10.231 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 27 3.074 11.584 -6.685 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.835 10.687 -8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.635 9.414 -8.676 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.158 12.263 -10.714 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.038 12.678 -9.894 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.925 13.452 -11.450 1.00 0.00 H new ATOM 420 N ILE A 28 3.049 8.279 -6.523 1.00 0.00 N ATOM 421 CA ILE A 28 2.291 7.111 -6.108 1.00 0.00 C ATOM 422 C ILE A 28 2.048 7.139 -4.603 1.00 0.00 C ATOM 423 O ILE A 28 1.010 6.679 -4.126 1.00 0.00 O ATOM 424 CB ILE A 28 3.059 5.842 -6.486 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.164 5.747 -8.010 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.322 4.617 -5.944 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.044 4.555 -8.392 1.00 0.00 C ATOM 0 H ILE A 28 3.977 8.067 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 28 1.326 7.119 -6.615 1.00 0.00 H new ATOM 0 HB ILE A 28 4.059 5.879 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.172 5.634 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.586 6.667 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.870 3.714 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.249 4.687 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.321 4.576 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.117 4.490 -9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.040 4.687 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.603 3.638 -8.002 1.00 0.00 H new ATOM 439 N VAL A 29 3.012 7.679 -3.857 1.00 0.00 N ATOM 440 CA VAL A 29 2.876 7.752 -2.407 1.00 0.00 C ATOM 441 C VAL A 29 1.600 8.490 -2.038 1.00 0.00 C ATOM 442 O VAL A 29 0.826 8.025 -1.203 1.00 0.00 O ATOM 443 CB VAL A 29 4.081 8.457 -1.786 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.773 8.790 -0.325 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.296 7.529 -1.847 1.00 0.00 C ATOM 0 H VAL A 29 3.880 8.066 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 29 2.828 6.736 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 29 4.292 9.375 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.630 9.293 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.902 9.444 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.566 7.870 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.158 8.029 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.083 6.614 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.513 7.282 -2.886 1.00 0.00 H new ATOM 455 N GLN A 30 1.369 9.631 -2.677 1.00 0.00 N ATOM 456 CA GLN A 30 0.157 10.389 -2.403 1.00 0.00 C ATOM 457 C GLN A 30 -1.051 9.534 -2.737 1.00 0.00 C ATOM 458 O GLN A 30 -2.017 9.483 -1.976 1.00 0.00 O ATOM 459 CB GLN A 30 0.116 11.674 -3.230 1.00 0.00 C ATOM 460 CG GLN A 30 1.245 12.603 -2.791 1.00 0.00 C ATOM 461 CD GLN A 30 1.113 12.914 -1.304 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.777 12.289 -0.477 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.289 13.846 -0.911 1.00 0.00 N ATOM 0 H GLN A 30 1.990 10.044 -3.373 1.00 0.00 H new ATOM 0 HA GLN A 30 0.146 10.660 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.216 11.439 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.846 12.170 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.210 12.136 -2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.213 13.527 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.261 14.363 -1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.194 14.057 0.082 1.00 0.00 H new ATOM 472 N ARG A 31 -0.982 8.838 -3.869 1.00 0.00 N ATOM 473 CA ARG A 31 -2.081 7.969 -4.259 1.00 0.00 C ATOM 474 C ARG A 31 -2.239 6.854 -3.239 1.00 0.00 C ATOM 475 O ARG A 31 -3.352 6.468 -2.892 1.00 0.00 O ATOM 476 CB ARG A 31 -1.837 7.369 -5.642 1.00 0.00 C ATOM 477 CG ARG A 31 -1.842 8.480 -6.689 1.00 0.00 C ATOM 478 CD ARG A 31 -1.781 7.863 -8.084 1.00 0.00 C ATOM 479 NE ARG A 31 -1.596 8.903 -9.091 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.109 8.617 -10.294 1.00 0.00 C ATOM 481 NH1 ARG A 31 0.129 8.225 -10.420 1.00 0.00 N ATOM 482 NH2 ARG A 31 -1.870 8.726 -11.349 1.00 0.00 N ATOM 0 H ARG A 31 -0.195 8.859 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.993 8.564 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.882 6.844 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.609 6.635 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.742 9.087 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.991 9.143 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.961 7.147 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.699 7.312 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.845 9.867 -8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.723 8.138 -9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.503 8.005 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.838 9.031 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.496 8.507 -12.272 1.00 0.00 H new ATOM 496 N VAL A 32 -1.113 6.346 -2.748 1.00 0.00 N ATOM 497 CA VAL A 32 -1.147 5.285 -1.754 1.00 0.00 C ATOM 498 C VAL A 32 -1.800 5.794 -0.475 1.00 0.00 C ATOM 499 O VAL A 32 -2.769 5.219 0.014 1.00 0.00 O ATOM 500 CB VAL A 32 0.274 4.808 -1.451 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.239 3.798 -0.304 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.865 4.147 -2.699 1.00 0.00 C ATOM 0 H VAL A 32 -0.178 6.649 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.728 4.451 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 32 0.891 5.659 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.252 3.458 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.183 4.270 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.377 2.945 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.878 3.806 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.249 3.295 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.890 4.868 -3.516 1.00 0.00 H new ATOM 512 N LYS A 33 -1.263 6.890 0.054 1.00 0.00 N ATOM 513 CA LYS A 33 -1.799 7.487 1.267 1.00 0.00 C ATOM 514 C LYS A 33 -3.237 7.959 1.065 1.00 0.00 C ATOM 515 O LYS A 33 -4.081 7.802 1.948 1.00 0.00 O ATOM 516 CB LYS A 33 -0.928 8.667 1.682 1.00 0.00 C ATOM 517 CG LYS A 33 0.430 8.154 2.163 1.00 0.00 C ATOM 518 CD LYS A 33 1.230 9.316 2.750 1.00 0.00 C ATOM 519 CE LYS A 33 2.615 8.823 3.176 1.00 0.00 C ATOM 520 NZ LYS A 33 2.477 7.867 4.310 1.00 0.00 N ATOM 0 H LYS A 33 -0.459 7.379 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.797 6.728 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.795 9.348 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.417 9.232 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.292 7.376 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.976 7.704 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.328 10.113 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.704 9.737 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.114 8.338 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.238 9.667 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.419 7.533 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.018 8.344 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.898 7.056 4.012 1.00 0.00 H new ATOM 534 N ASN A 34 -3.505 8.550 -0.095 1.00 0.00 N ATOM 535 CA ASN A 34 -4.839 9.056 -0.393 1.00 0.00 C ATOM 536 C ASN A 34 -5.873 7.931 -0.382 1.00 0.00 C ATOM 537 O ASN A 34 -6.968 8.091 0.158 1.00 0.00 O ATOM 538 CB ASN A 34 -4.826 9.739 -1.761 1.00 0.00 C ATOM 539 CG ASN A 34 -3.961 10.997 -1.709 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.168 11.276 -2.710 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -4.009 11.745 -0.732 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.821 8.689 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.118 9.775 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.440 9.053 -2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.843 9.999 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.628 11.526 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.429 12.584 -0.703 1.00 0.00 H new ATOM 548 N ILE A 35 -5.522 6.795 -0.975 1.00 0.00 N ATOM 549 CA ILE A 35 -6.436 5.656 -1.013 1.00 0.00 C ATOM 550 C ILE A 35 -6.640 5.070 0.380 1.00 0.00 C ATOM 551 O ILE A 35 -7.773 4.850 0.808 1.00 0.00 O ATOM 552 CB ILE A 35 -5.892 4.575 -1.940 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.866 5.104 -3.376 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.790 3.337 -1.867 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.030 4.168 -4.248 1.00 0.00 C ATOM 0 H ILE A 35 -4.623 6.637 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.396 6.011 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.882 4.306 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.881 5.174 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.446 6.110 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.400 2.565 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.809 2.961 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.801 3.603 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.011 4.544 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.013 4.121 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.469 3.171 -4.236 1.00 0.00 H new ATOM 567 N LEU A 36 -5.540 4.822 1.088 1.00 0.00 N ATOM 568 CA LEU A 36 -5.632 4.266 2.434 1.00 0.00 C ATOM 569 C LEU A 36 -6.454 5.194 3.309 1.00 0.00 C ATOM 570 O LEU A 36 -7.288 4.753 4.102 1.00 0.00 O ATOM 571 CB LEU A 36 -4.238 4.103 3.040 1.00 0.00 C ATOM 572 CG LEU A 36 -3.431 3.104 2.213 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.043 2.936 2.835 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.153 1.756 2.204 1.00 0.00 C ATOM 0 H LEU A 36 -4.590 4.994 0.758 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.110 3.288 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.727 5.066 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.317 3.757 4.071 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.330 3.470 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.465 2.223 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.530 3.898 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.144 2.567 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.580 1.040 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.251 1.389 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.144 1.877 1.765 1.00 0.00 H new ATOM 586 N ALA A 37 -6.225 6.488 3.136 1.00 0.00 N ATOM 587 CA ALA A 37 -6.957 7.492 3.887 1.00 0.00 C ATOM 588 C ALA A 37 -8.410 7.493 3.442 1.00 0.00 C ATOM 589 O ALA A 37 -9.262 8.134 4.056 1.00 0.00 O ATOM 590 CB ALA A 37 -6.340 8.873 3.657 1.00 0.00 C ATOM 0 H ALA A 37 -5.538 6.865 2.482 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.903 7.258 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.896 9.619 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.301 8.867 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.383 9.118 2.596 1.00 0.00 H new ATOM 596 N ALA A 38 -8.684 6.768 2.362 1.00 0.00 N ATOM 597 CA ALA A 38 -10.035 6.689 1.836 1.00 0.00 C ATOM 598 C ALA A 38 -10.817 5.598 2.553 1.00 0.00 C ATOM 599 O ALA A 38 -11.883 5.186 2.096 1.00 0.00 O ATOM 600 CB ALA A 38 -10.001 6.394 0.335 1.00 0.00 C ATOM 0 H ALA A 38 -7.991 6.232 1.840 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.527 7.648 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.020 6.337 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.464 7.190 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.495 5.444 0.162 1.00 0.00 H new ATOM 606 N VAL A 39 -10.280 5.119 3.673 1.00 0.00 N ATOM 607 CA VAL A 39 -10.954 4.063 4.414 1.00 0.00 C ATOM 608 C VAL A 39 -10.632 4.111 5.910 1.00 0.00 C ATOM 609 O VAL A 39 -11.445 3.692 6.734 1.00 0.00 O ATOM 610 CB VAL A 39 -10.549 2.700 3.852 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.034 2.527 3.978 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.253 1.594 4.639 1.00 0.00 C ATOM 0 H VAL A 39 -9.400 5.438 4.078 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.027 4.217 4.299 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.837 2.640 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.744 1.556 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.530 3.315 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.747 2.587 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.964 0.622 4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.965 1.654 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.333 1.716 4.552 1.00 0.00 H new ATOM 622 N GLU A 40 -9.450 4.605 6.262 1.00 0.00 N ATOM 623 CA GLU A 40 -9.063 4.670 7.669 1.00 0.00 C ATOM 624 C GLU A 40 -9.588 3.449 8.418 1.00 0.00 C ATOM 625 O GLU A 40 -8.967 2.386 8.402 1.00 0.00 O ATOM 626 CB GLU A 40 -9.611 5.943 8.321 1.00 0.00 C ATOM 627 CG GLU A 40 -8.882 7.169 7.764 1.00 0.00 C ATOM 628 CD GLU A 40 -9.638 7.738 6.570 1.00 0.00 C ATOM 629 OE1 GLU A 40 -10.555 7.081 6.104 1.00 0.00 O ATOM 630 OE2 GLU A 40 -9.287 8.823 6.138 1.00 0.00 O ATOM 0 H GLU A 40 -8.754 4.961 5.607 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.974 4.685 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.681 6.028 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.482 5.893 9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.790 7.929 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.871 6.894 7.465 1.00 0.00 H new ATOM 637 N ALA A 41 -10.737 3.606 9.070 1.00 0.00 N ATOM 638 CA ALA A 41 -11.339 2.505 9.818 1.00 0.00 C ATOM 639 C ALA A 41 -10.761 2.430 11.228 1.00 0.00 C ATOM 640 O ALA A 41 -9.924 3.248 11.610 1.00 0.00 O ATOM 641 CB ALA A 41 -11.084 1.182 9.094 1.00 0.00 C ATOM 0 H ALA A 41 -11.267 4.477 9.096 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.412 2.685 9.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.536 0.366 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.524 1.222 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.010 1.014 9.010 1.00 0.00 H new ATOM 647 N THR A 42 -11.211 1.441 11.995 1.00 0.00 N ATOM 648 CA THR A 42 -10.728 1.264 13.359 1.00 0.00 C ATOM 649 C THR A 42 -9.336 0.641 13.353 1.00 0.00 C ATOM 650 O THR A 42 -8.671 0.571 14.386 1.00 0.00 O ATOM 651 CB THR A 42 -11.693 0.376 14.148 1.00 0.00 C ATOM 652 OG1 THR A 42 -11.792 -0.893 13.516 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.072 1.038 14.199 1.00 0.00 C ATOM 0 H THR A 42 -11.904 0.755 11.697 1.00 0.00 H new ATOM 0 HA THR A 42 -10.673 2.242 13.837 1.00 0.00 H new ATOM 0 HB THR A 42 -11.320 0.245 15.164 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.408 -1.463 14.021 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.759 0.405 14.761 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.992 2.009 14.687 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.449 1.172 13.185 1.00 0.00 H new ATOM 661 N VAL A 43 -8.897 0.201 12.178 1.00 0.00 N ATOM 662 CA VAL A 43 -7.581 -0.398 12.035 1.00 0.00 C ATOM 663 C VAL A 43 -6.731 0.441 11.081 1.00 0.00 C ATOM 664 O VAL A 43 -6.469 0.034 9.950 1.00 0.00 O ATOM 665 CB VAL A 43 -7.718 -1.816 11.484 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.076 -2.775 12.621 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.824 -1.849 10.428 1.00 0.00 C ATOM 0 H VAL A 43 -9.436 0.249 11.313 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.097 -0.434 13.011 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.773 -2.121 11.034 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.174 -3.786 12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.290 -2.754 13.376 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.020 -2.469 13.072 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.922 -2.861 10.035 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.768 -1.543 10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.572 -1.167 9.616 1.00 0.00 H new ATOM 677 N PRO A 44 -6.313 1.606 11.512 1.00 0.00 N ATOM 678 CA PRO A 44 -5.493 2.523 10.673 1.00 0.00 C ATOM 679 C PRO A 44 -4.264 1.834 10.087 1.00 0.00 C ATOM 680 O PRO A 44 -3.742 0.879 10.660 1.00 0.00 O ATOM 681 CB PRO A 44 -5.069 3.659 11.611 1.00 0.00 C ATOM 682 CG PRO A 44 -5.644 3.367 12.963 1.00 0.00 C ATOM 683 CD PRO A 44 -6.584 2.169 12.842 1.00 0.00 C ATOM 0 HA PRO A 44 -6.068 2.876 9.817 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.982 3.727 11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.431 4.618 11.240 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.847 3.153 13.675 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.184 4.235 13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.393 1.437 13.627 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.626 2.474 12.937 1.00 0.00 H new ATOM 691 N ILE A 45 -3.806 2.335 8.942 1.00 0.00 N ATOM 692 CA ILE A 45 -2.633 1.771 8.286 1.00 0.00 C ATOM 693 C ILE A 45 -1.459 2.737 8.378 1.00 0.00 C ATOM 694 O ILE A 45 -1.614 3.935 8.138 1.00 0.00 O ATOM 695 CB ILE A 45 -2.919 1.498 6.809 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.255 0.764 6.667 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.792 0.631 6.229 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.384 1.783 6.496 1.00 0.00 C ATOM 0 H ILE A 45 -4.227 3.125 8.453 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.388 0.837 8.791 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.972 2.443 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.224 0.093 5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.438 0.147 7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.991 0.433 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.842 1.156 6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.742 -0.313 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.335 1.259 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.420 2.436 7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.202 2.381 5.603 1.00 0.00 H new ATOM 710 N SER A 46 -0.284 2.217 8.701 1.00 0.00 N ATOM 711 CA SER A 46 0.901 3.059 8.788 1.00 0.00 C ATOM 712 C SER A 46 1.776 2.822 7.565 1.00 0.00 C ATOM 713 O SER A 46 2.178 1.692 7.292 1.00 0.00 O ATOM 714 CB SER A 46 1.686 2.739 10.060 1.00 0.00 C ATOM 715 OG SER A 46 2.720 3.700 10.227 1.00 0.00 O ATOM 0 H SER A 46 -0.126 1.230 8.905 1.00 0.00 H new ATOM 0 HA SER A 46 0.596 4.105 8.822 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.021 2.749 10.924 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.111 1.737 9.997 1.00 0.00 H new ATOM 0 HG SER A 46 3.225 3.499 11.043 1.00 0.00 H new ATOM 721 N LEU A 47 2.055 3.887 6.822 1.00 0.00 N ATOM 722 CA LEU A 47 2.870 3.758 5.622 1.00 0.00 C ATOM 723 C LEU A 47 4.308 4.170 5.905 1.00 0.00 C ATOM 724 O LEU A 47 4.572 5.298 6.320 1.00 0.00 O ATOM 725 CB LEU A 47 2.296 4.639 4.508 1.00 0.00 C ATOM 726 CG LEU A 47 2.576 4.010 3.136 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.289 5.038 2.040 1.00 0.00 C ATOM 728 CD2 LEU A 47 4.041 3.572 3.047 1.00 0.00 C ATOM 0 H LEU A 47 1.735 4.834 7.025 1.00 0.00 H new ATOM 0 HA LEU A 47 2.859 2.715 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.222 4.761 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.738 5.634 4.557 1.00 0.00 H new ATOM 0 HG LEU A 47 1.934 3.139 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.487 4.594 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.245 5.345 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.931 5.908 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.229 3.127 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.689 4.438 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.249 2.838 3.826 1.00 0.00 H new ATOM 740 N GLN A 48 5.233 3.252 5.660 1.00 0.00 N ATOM 741 CA GLN A 48 6.645 3.528 5.872 1.00 0.00 C ATOM 742 C GLN A 48 7.408 3.309 4.571 1.00 0.00 C ATOM 743 O GLN A 48 7.283 2.262 3.938 1.00 0.00 O ATOM 744 CB GLN A 48 7.194 2.617 6.971 1.00 0.00 C ATOM 745 CG GLN A 48 7.190 3.364 8.307 1.00 0.00 C ATOM 746 CD GLN A 48 8.295 4.415 8.321 1.00 0.00 C ATOM 747 OE1 GLN A 48 8.071 5.559 7.927 1.00 0.00 O ATOM 748 NE2 GLN A 48 9.484 4.091 8.752 1.00 0.00 N ATOM 0 H GLN A 48 5.031 2.313 5.316 1.00 0.00 H new ATOM 0 HA GLN A 48 6.769 4.565 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.588 1.714 7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.207 2.301 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.222 3.840 8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.336 2.660 9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.667 3.142 9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.230 4.787 8.763 1.00 0.00 H new ATOM 757 N VAL A 49 8.184 4.308 4.167 1.00 0.00 N ATOM 758 CA VAL A 49 8.940 4.211 2.923 1.00 0.00 C ATOM 759 C VAL A 49 10.389 3.838 3.183 1.00 0.00 C ATOM 760 O VAL A 49 11.048 4.415 4.048 1.00 0.00 O ATOM 761 CB VAL A 49 8.908 5.541 2.170 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.430 5.333 0.746 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.472 6.067 2.122 1.00 0.00 C ATOM 0 H VAL A 49 8.306 5.184 4.675 1.00 0.00 H new ATOM 0 HA VAL A 49 8.471 3.431 2.323 1.00 0.00 H new ATOM 0 HB VAL A 49 9.539 6.266 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.408 6.281 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.454 4.962 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.800 4.608 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.450 7.015 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.837 5.345 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.105 6.216 3.137 1.00 0.00 H new ATOM 773 N ILE A 50 10.884 2.888 2.406 1.00 0.00 N ATOM 774 CA ILE A 50 12.262 2.460 2.532 1.00 0.00 C ATOM 775 C ILE A 50 13.001 2.796 1.248 1.00 0.00 C ATOM 776 O ILE A 50 12.555 2.444 0.157 1.00 0.00 O ATOM 777 CB ILE A 50 12.321 0.955 2.784 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.372 0.607 3.932 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.750 0.557 3.158 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.484 -0.883 4.260 1.00 0.00 C ATOM 0 H ILE A 50 10.352 2.402 1.684 1.00 0.00 H new ATOM 0 HA ILE A 50 12.729 2.974 3.372 1.00 0.00 H new ATOM 0 HB ILE A 50 12.023 0.416 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.616 1.202 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.346 0.852 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.793 -0.517 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.425 0.816 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 50 14.051 1.089 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.807 -1.127 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.218 -1.470 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.507 -1.115 4.555 1.00 0.00 H new ATOM 792 N ASN A 51 14.126 3.483 1.373 1.00 0.00 N ATOM 793 CA ASN A 51 14.891 3.857 0.203 1.00 0.00 C ATOM 794 C ASN A 51 15.760 2.692 -0.246 1.00 0.00 C ATOM 795 O ASN A 51 16.801 2.412 0.350 1.00 0.00 O ATOM 796 CB ASN A 51 15.776 5.060 0.521 1.00 0.00 C ATOM 797 CG ASN A 51 14.918 6.300 0.736 1.00 0.00 C ATOM 798 OD1 ASN A 51 13.720 6.285 0.451 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.462 7.382 1.221 1.00 0.00 N ATOM 0 H ASN A 51 14.522 3.788 2.262 1.00 0.00 H new ATOM 0 HA ASN A 51 14.200 4.120 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.369 4.859 1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.478 5.231 -0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.895 8.218 1.365 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.454 7.392 1.456 1.00 0.00 H new ATOM 806 N VAL A 52 15.321 2.015 -1.297 1.00 0.00 N ATOM 807 CA VAL A 52 16.063 0.876 -1.822 1.00 0.00 C ATOM 808 C VAL A 52 17.468 1.305 -2.225 1.00 0.00 C ATOM 809 O VAL A 52 18.365 0.476 -2.379 1.00 0.00 O ATOM 810 CB VAL A 52 15.328 0.304 -3.034 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.857 0.070 -2.669 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.414 1.296 -4.196 1.00 0.00 C ATOM 0 H VAL A 52 14.461 2.232 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 52 16.138 0.112 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 52 15.786 -0.640 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.329 -0.338 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.796 -0.634 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.400 1.015 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.890 0.889 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.954 2.240 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.460 1.467 -4.452 1.00 0.00 H new ATOM 822 N ALA A 53 17.645 2.609 -2.390 1.00 0.00 N ATOM 823 CA ALA A 53 18.933 3.161 -2.772 1.00 0.00 C ATOM 824 C ALA A 53 19.910 3.098 -1.606 1.00 0.00 C ATOM 825 O ALA A 53 21.120 2.991 -1.805 1.00 0.00 O ATOM 826 CB ALA A 53 18.758 4.615 -3.215 1.00 0.00 C ATOM 0 H ALA A 53 16.909 3.304 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 53 19.334 2.571 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.726 5.027 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.080 4.657 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.344 5.199 -2.393 1.00 0.00 H new ATOM 832 N ASP A 54 19.379 3.182 -0.390 1.00 0.00 N ATOM 833 CA ASP A 54 20.223 3.152 0.795 1.00 0.00 C ATOM 834 C ASP A 54 20.345 1.743 1.367 1.00 0.00 C ATOM 835 O ASP A 54 21.337 1.421 2.020 1.00 0.00 O ATOM 836 CB ASP A 54 19.650 4.080 1.868 1.00 0.00 C ATOM 837 CG ASP A 54 19.734 5.531 1.409 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.428 5.787 0.438 1.00 0.00 O ATOM 839 OD2 ASP A 54 19.105 6.366 2.036 1.00 0.00 O ATOM 0 H ASP A 54 18.380 3.270 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 54 21.216 3.489 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.613 3.815 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 54 20.200 3.953 2.800 1.00 0.00 H new ATOM 844 N GLN A 55 19.331 0.914 1.146 1.00 0.00 N ATOM 845 CA GLN A 55 19.353 -0.443 1.683 1.00 0.00 C ATOM 846 C GLN A 55 18.733 -1.451 0.715 1.00 0.00 C ATOM 847 O GLN A 55 17.552 -1.775 0.821 1.00 0.00 O ATOM 848 CB GLN A 55 18.594 -0.471 3.007 1.00 0.00 C ATOM 849 CG GLN A 55 17.136 -0.081 2.766 1.00 0.00 C ATOM 850 CD GLN A 55 16.688 0.936 3.808 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.834 0.579 4.726 1.00 0.00 O flip ATOM 852 NE2 GLN A 55 17.130 2.085 3.784 1.00 0.00 N flip ATOM 0 H GLN A 55 18.497 1.151 0.609 1.00 0.00 H new ATOM 0 HA GLN A 55 20.394 -0.729 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.647 -1.466 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 55 19.053 0.217 3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.024 0.338 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.502 -0.966 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 55 17.798 2.360 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.828 2.762 4.484 1.00 0.00 H new ATOM 861 N PRO A 56 19.509 -1.955 -0.207 1.00 0.00 N ATOM 862 CA PRO A 56 19.054 -2.964 -1.210 1.00 0.00 C ATOM 863 C PRO A 56 18.987 -4.383 -0.631 1.00 0.00 C ATOM 864 O PRO A 56 18.538 -5.318 -1.297 1.00 0.00 O ATOM 865 CB PRO A 56 20.119 -2.900 -2.316 1.00 0.00 C ATOM 866 CG PRO A 56 21.121 -1.865 -1.898 1.00 0.00 C ATOM 867 CD PRO A 56 20.916 -1.615 -0.407 1.00 0.00 C ATOM 0 HA PRO A 56 18.045 -2.744 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.598 -3.870 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.667 -2.636 -3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.136 -2.211 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.983 -0.944 -2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.572 -2.238 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.123 -0.579 -0.139 1.00 0.00 H new ATOM 875 N GLN A 57 19.475 -4.538 0.596 1.00 0.00 N ATOM 876 CA GLN A 57 19.515 -5.852 1.242 1.00 0.00 C ATOM 877 C GLN A 57 18.125 -6.400 1.583 1.00 0.00 C ATOM 878 O GLN A 57 17.854 -7.573 1.331 1.00 0.00 O ATOM 879 CB GLN A 57 20.346 -5.764 2.524 1.00 0.00 C ATOM 880 CG GLN A 57 20.456 -7.151 3.166 1.00 0.00 C ATOM 881 CD GLN A 57 21.054 -7.032 4.564 1.00 0.00 C ATOM 882 OE1 GLN A 57 20.655 -6.161 5.338 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.985 -7.866 4.939 1.00 0.00 N ATOM 0 H GLN A 57 19.847 -3.776 1.163 1.00 0.00 H new ATOM 0 HA GLN A 57 19.966 -6.541 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.340 -5.377 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.883 -5.066 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.471 -7.615 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.079 -7.798 2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 57 22.314 -8.586 4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.384 -7.798 5.875 1.00 0.00 H new ATOM 892 N LEU A 58 17.244 -5.578 2.152 1.00 0.00 N ATOM 893 CA LEU A 58 15.913 -6.072 2.494 1.00 0.00 C ATOM 894 C LEU A 58 15.067 -6.226 1.234 1.00 0.00 C ATOM 895 O LEU A 58 14.116 -7.008 1.205 1.00 0.00 O ATOM 896 CB LEU A 58 15.209 -5.155 3.506 1.00 0.00 C ATOM 897 CG LEU A 58 15.647 -3.708 3.316 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.368 -3.287 1.880 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.860 -2.810 4.273 1.00 0.00 C ATOM 0 H LEU A 58 17.419 -4.599 2.380 1.00 0.00 H new ATOM 0 HA LEU A 58 16.032 -7.048 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.129 -5.232 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.439 -5.480 4.521 1.00 0.00 H new ATOM 0 HG LEU A 58 16.713 -3.615 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.679 -2.252 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.924 -3.930 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.301 -3.377 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.172 -1.774 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.794 -2.899 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.053 -3.117 5.301 1.00 0.00 H new ATOM 911 N VAL A 59 15.430 -5.486 0.187 1.00 0.00 N ATOM 912 CA VAL A 59 14.711 -5.559 -1.077 1.00 0.00 C ATOM 913 C VAL A 59 14.857 -6.963 -1.647 1.00 0.00 C ATOM 914 O VAL A 59 13.886 -7.567 -2.105 1.00 0.00 O ATOM 915 CB VAL A 59 15.286 -4.530 -2.053 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.465 -4.526 -3.335 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.229 -3.142 -1.418 1.00 0.00 C ATOM 0 H VAL A 59 16.214 -4.833 0.192 1.00 0.00 H new ATOM 0 HA VAL A 59 13.655 -5.340 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 59 16.320 -4.789 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.876 -3.792 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.498 -5.515 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.432 -4.267 -3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.638 -2.407 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.194 -2.888 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.814 -3.138 -0.499 1.00 0.00 H new ATOM 927 N GLU A 60 16.079 -7.485 -1.586 1.00 0.00 N ATOM 928 CA GLU A 60 16.347 -8.834 -2.066 1.00 0.00 C ATOM 929 C GLU A 60 15.675 -9.848 -1.149 1.00 0.00 C ATOM 930 O GLU A 60 15.190 -10.886 -1.599 1.00 0.00 O ATOM 931 CB GLU A 60 17.855 -9.089 -2.086 1.00 0.00 C ATOM 932 CG GLU A 60 18.528 -8.132 -3.072 1.00 0.00 C ATOM 933 CD GLU A 60 20.021 -8.429 -3.149 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.484 -9.247 -2.371 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.681 -7.833 -3.985 1.00 0.00 O ATOM 0 H GLU A 60 16.893 -6.997 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 60 15.950 -8.937 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.270 -8.949 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.055 -10.121 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.077 -8.236 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.370 -7.101 -2.756 1.00 0.00 H new ATOM 942 N TYR A 61 15.644 -9.533 0.145 1.00 0.00 N ATOM 943 CA TYR A 61 15.021 -10.419 1.122 1.00 0.00 C ATOM 944 C TYR A 61 13.572 -10.683 0.746 1.00 0.00 C ATOM 945 O TYR A 61 13.094 -11.815 0.819 1.00 0.00 O ATOM 946 CB TYR A 61 15.086 -9.797 2.518 1.00 0.00 C ATOM 947 CG TYR A 61 14.388 -10.705 3.497 1.00 0.00 C ATOM 948 CD1 TYR A 61 14.944 -11.949 3.818 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.183 -10.304 4.083 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.295 -12.793 4.724 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.532 -11.149 4.992 1.00 0.00 C ATOM 952 CZ TYR A 61 13.089 -12.394 5.312 1.00 0.00 C ATOM 953 OH TYR A 61 12.447 -13.227 6.205 1.00 0.00 O ATOM 0 H TYR A 61 16.040 -8.678 0.537 1.00 0.00 H new ATOM 0 HA TYR A 61 15.565 -11.364 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.124 -9.650 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.614 -8.815 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 61 15.875 -12.257 3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.755 -9.344 3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.724 -13.753 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.602 -10.841 5.445 1.00 0.00 H new ATOM 0 HH TYR A 61 11.625 -12.797 6.520 1.00 0.00 H new ATOM 963 N TYR A 62 12.885 -9.632 0.324 1.00 0.00 N ATOM 964 CA TYR A 62 11.501 -9.748 -0.087 1.00 0.00 C ATOM 965 C TYR A 62 11.446 -10.213 -1.533 1.00 0.00 C ATOM 966 O TYR A 62 10.413 -10.110 -2.196 1.00 0.00 O ATOM 967 CB TYR A 62 10.818 -8.387 0.034 1.00 0.00 C ATOM 968 CG TYR A 62 10.802 -7.941 1.474 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.118 -8.690 2.438 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.474 -6.770 1.843 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.107 -8.267 3.772 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.463 -6.347 3.175 1.00 0.00 C ATOM 973 CZ TYR A 62 10.779 -7.095 4.142 1.00 0.00 C ATOM 974 OH TYR A 62 10.770 -6.679 5.457 1.00 0.00 O ATOM 0 H TYR A 62 13.268 -8.689 0.258 1.00 0.00 H new ATOM 0 HA TYR A 62 10.989 -10.469 0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.343 -7.652 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.799 -8.448 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.599 -9.593 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.001 -6.193 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.580 -8.845 4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.982 -5.443 3.459 1.00 0.00 H new ATOM 0 HH TYR A 62 11.284 -5.849 5.541 1.00 0.00 H new ATOM 984 N ARG A 63 12.584 -10.695 -2.025 1.00 0.00 N ATOM 985 CA ARG A 63 12.675 -11.140 -3.406 1.00 0.00 C ATOM 986 C ARG A 63 12.297 -9.982 -4.312 1.00 0.00 C ATOM 987 O ARG A 63 12.202 -10.118 -5.532 1.00 0.00 O ATOM 988 CB ARG A 63 11.749 -12.329 -3.650 1.00 0.00 C ATOM 989 CG ARG A 63 12.213 -13.520 -2.809 1.00 0.00 C ATOM 990 CD ARG A 63 11.418 -14.761 -3.209 1.00 0.00 C ATOM 991 NE ARG A 63 11.638 -15.839 -2.251 1.00 0.00 N ATOM 992 CZ ARG A 63 10.752 -16.101 -1.296 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.524 -16.410 -1.613 1.00 0.00 N ATOM 994 NH2 ARG A 63 11.109 -16.046 -0.043 1.00 0.00 N ATOM 0 H ARG A 63 13.448 -10.786 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 63 13.694 -11.462 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.724 -12.064 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.751 -12.594 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.279 -13.693 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.071 -13.309 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.356 -14.520 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.716 -15.086 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 63 12.487 -16.401 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.245 -16.450 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.843 -16.611 -0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.068 -15.802 0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.429 -16.247 0.690 1.00 0.00 H new ATOM 1008 N LEU A 64 12.095 -8.833 -3.679 1.00 0.00 N ATOM 1009 CA LEU A 64 11.739 -7.613 -4.383 1.00 0.00 C ATOM 1010 C LEU A 64 12.869 -7.232 -5.337 1.00 0.00 C ATOM 1011 O LEU A 64 14.041 -7.279 -4.965 1.00 0.00 O ATOM 1012 CB LEU A 64 11.510 -6.509 -3.343 1.00 0.00 C ATOM 1013 CG LEU A 64 10.697 -5.359 -3.930 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.473 -4.705 -5.069 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.361 -5.893 -4.448 1.00 0.00 C ATOM 0 H LEU A 64 12.173 -8.723 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 64 10.830 -7.754 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.990 -6.922 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.470 -6.135 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 64 10.512 -4.614 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.888 -3.885 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.420 -4.320 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.667 -5.443 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.779 -5.072 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.543 -6.641 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.807 -6.347 -3.626 1.00 0.00 H new ATOM 1027 N VAL A 65 12.520 -6.885 -6.574 1.00 0.00 N ATOM 1028 CA VAL A 65 13.539 -6.532 -7.562 1.00 0.00 C ATOM 1029 C VAL A 65 13.098 -5.370 -8.452 1.00 0.00 C ATOM 1030 O VAL A 65 13.909 -4.812 -9.192 1.00 0.00 O ATOM 1031 CB VAL A 65 13.846 -7.749 -8.435 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.357 -7.871 -8.629 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.315 -9.010 -7.748 1.00 0.00 C ATOM 0 H VAL A 65 11.559 -6.841 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 65 14.430 -6.217 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 65 13.366 -7.632 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.575 -8.739 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.735 -6.972 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.840 -7.990 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.532 -9.880 -8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 65 13.797 -9.126 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.237 -8.923 -7.610 1.00 0.00 H new ATOM 1043 N VAL A 66 11.822 -5.007 -8.389 1.00 0.00 N ATOM 1044 CA VAL A 66 11.318 -3.917 -9.204 1.00 0.00 C ATOM 1045 C VAL A 66 10.872 -2.749 -8.332 1.00 0.00 C ATOM 1046 O VAL A 66 10.321 -2.944 -7.248 1.00 0.00 O ATOM 1047 CB VAL A 66 10.138 -4.410 -10.035 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.614 -5.454 -11.044 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.090 -5.036 -9.114 1.00 0.00 C ATOM 0 H VAL A 66 11.127 -5.449 -7.787 1.00 0.00 H new ATOM 0 HA VAL A 66 12.119 -3.574 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 66 9.700 -3.567 -10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.767 -5.802 -11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.358 -5.009 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.057 -6.297 -10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.247 -5.388 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.532 -5.876 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.743 -4.291 -8.398 1.00 0.00 H new ATOM 1059 N THR A 67 11.102 -1.535 -8.822 1.00 0.00 N ATOM 1060 CA THR A 67 10.709 -0.336 -8.091 1.00 0.00 C ATOM 1061 C THR A 67 10.088 0.679 -9.054 1.00 0.00 C ATOM 1062 O THR A 67 10.450 0.723 -10.230 1.00 0.00 O ATOM 1063 CB THR A 67 11.922 0.275 -7.385 1.00 0.00 C ATOM 1064 OG1 THR A 67 13.014 0.342 -8.292 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.301 -0.601 -6.189 1.00 0.00 C ATOM 0 H THR A 67 11.556 -1.356 -9.718 1.00 0.00 H new ATOM 0 HA THR A 67 9.970 -0.606 -7.337 1.00 0.00 H new ATOM 0 HB THR A 67 11.679 1.280 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.790 0.735 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.165 -0.171 -5.682 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.462 -0.653 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.547 -1.604 -6.536 1.00 0.00 H new ATOM 1073 N PRO A 68 9.161 1.483 -8.592 1.00 0.00 N ATOM 1074 CA PRO A 68 8.690 1.466 -7.182 1.00 0.00 C ATOM 1075 C PRO A 68 7.848 0.235 -6.873 1.00 0.00 C ATOM 1076 O PRO A 68 7.286 -0.389 -7.773 1.00 0.00 O ATOM 1077 CB PRO A 68 7.856 2.745 -7.028 1.00 0.00 C ATOM 1078 CG PRO A 68 7.882 3.452 -8.349 1.00 0.00 C ATOM 1079 CD PRO A 68 8.457 2.492 -9.387 1.00 0.00 C ATOM 0 HA PRO A 68 9.529 1.427 -6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.833 2.505 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.267 3.380 -6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.877 3.764 -8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.490 4.354 -8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.670 2.043 -9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.134 3.004 -10.071 1.00 0.00 H new ATOM 1087 N ALA A 69 7.779 -0.115 -5.597 1.00 0.00 N ATOM 1088 CA ALA A 69 7.019 -1.282 -5.181 1.00 0.00 C ATOM 1089 C ALA A 69 6.416 -1.061 -3.798 1.00 0.00 C ATOM 1090 O ALA A 69 6.945 -0.296 -2.992 1.00 0.00 O ATOM 1091 CB ALA A 69 7.934 -2.508 -5.149 1.00 0.00 C ATOM 0 H ALA A 69 8.237 0.389 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 69 6.212 -1.445 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.361 -3.381 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.346 -2.681 -6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.748 -2.337 -4.444 1.00 0.00 H new ATOM 1097 N LEU A 70 5.309 -1.741 -3.529 1.00 0.00 N ATOM 1098 CA LEU A 70 4.638 -1.620 -2.241 1.00 0.00 C ATOM 1099 C LEU A 70 4.457 -3.005 -1.627 1.00 0.00 C ATOM 1100 O LEU A 70 4.019 -3.934 -2.305 1.00 0.00 O ATOM 1101 CB LEU A 70 3.283 -0.939 -2.434 1.00 0.00 C ATOM 1102 CG LEU A 70 2.769 -0.420 -1.092 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.681 0.622 -1.345 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.191 -1.572 -0.273 1.00 0.00 C ATOM 0 H LEU A 70 4.858 -2.380 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 70 5.243 -1.014 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.377 -0.115 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.569 -1.644 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 70 3.593 0.030 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.308 0.998 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.095 1.448 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.862 0.165 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.827 -1.193 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.366 -2.029 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.966 -2.317 -0.096 1.00 0.00 H new ATOM 1116 N VAL A 71 4.821 -3.154 -0.355 1.00 0.00 N ATOM 1117 CA VAL A 71 4.711 -4.458 0.288 1.00 0.00 C ATOM 1118 C VAL A 71 3.960 -4.392 1.616 1.00 0.00 C ATOM 1119 O VAL A 71 4.297 -3.606 2.500 1.00 0.00 O ATOM 1120 CB VAL A 71 6.115 -5.022 0.523 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.017 -6.475 0.986 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.921 -4.951 -0.780 1.00 0.00 C ATOM 0 H VAL A 71 5.186 -2.408 0.237 1.00 0.00 H new ATOM 0 HA VAL A 71 4.140 -5.107 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 71 6.615 -4.433 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.018 -6.872 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.449 -6.523 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.514 -7.067 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.920 -5.353 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.419 -5.537 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.997 -3.913 -1.105 1.00 0.00 H new ATOM 1132 N LYS A 72 2.957 -5.260 1.751 1.00 0.00 N ATOM 1133 CA LYS A 72 2.175 -5.344 2.980 1.00 0.00 C ATOM 1134 C LYS A 72 2.780 -6.404 3.890 1.00 0.00 C ATOM 1135 O LYS A 72 3.008 -7.536 3.463 1.00 0.00 O ATOM 1136 CB LYS A 72 0.723 -5.715 2.666 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.092 -5.696 3.962 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.014 -6.915 3.998 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.098 -6.710 5.055 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.272 -7.966 5.839 1.00 0.00 N ATOM 0 H LYS A 72 2.669 -5.914 1.023 1.00 0.00 H new ATOM 0 HA LYS A 72 2.191 -4.373 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.302 -5.012 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.678 -6.703 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.575 -5.705 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.679 -4.780 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.470 -7.067 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.438 -7.812 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.824 -5.890 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.038 -6.433 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.444 -7.731 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.082 -8.500 5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.411 -8.545 5.763 1.00 0.00 H new ATOM 1154 N ILE A 73 3.052 -6.041 5.138 1.00 0.00 N ATOM 1155 CA ILE A 73 3.644 -6.993 6.071 1.00 0.00 C ATOM 1156 C ILE A 73 2.605 -7.562 7.036 1.00 0.00 C ATOM 1157 O ILE A 73 2.810 -8.635 7.602 1.00 0.00 O ATOM 1158 CB ILE A 73 4.785 -6.334 6.850 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.518 -4.830 6.983 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.105 -6.558 6.110 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.101 -4.093 5.775 1.00 0.00 C ATOM 0 H ILE A 73 2.876 -5.113 5.522 1.00 0.00 H new ATOM 0 HA ILE A 73 4.041 -7.823 5.486 1.00 0.00 H new ATOM 0 HB ILE A 73 4.847 -6.777 7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.446 -4.646 7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.965 -4.452 7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.917 -6.089 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.296 -7.628 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.043 -6.118 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.909 -3.025 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.176 -4.266 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.633 -4.463 4.863 1.00 0.00 H new ATOM 1173 N GLY A 74 1.485 -6.862 7.217 1.00 0.00 N ATOM 1174 CA GLY A 74 0.444 -7.357 8.115 1.00 0.00 C ATOM 1175 C GLY A 74 -0.006 -6.292 9.111 1.00 0.00 C ATOM 1176 O GLY A 74 0.176 -5.096 8.882 1.00 0.00 O ATOM 0 H GLY A 74 1.278 -5.971 6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.412 -7.690 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.816 -8.226 8.657 1.00 0.00 H new ATOM 1180 N PRO A 75 -0.596 -6.710 10.205 1.00 0.00 N ATOM 1181 CA PRO A 75 -0.821 -8.152 10.496 1.00 0.00 C ATOM 1182 C PRO A 75 -1.572 -8.853 9.368 1.00 0.00 C ATOM 1183 O PRO A 75 -2.248 -8.212 8.564 1.00 0.00 O ATOM 1184 CB PRO A 75 -1.644 -8.181 11.790 1.00 0.00 C ATOM 1185 CG PRO A 75 -1.871 -6.763 12.215 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.100 -5.840 11.272 1.00 0.00 C ATOM 0 HA PRO A 75 0.127 -8.682 10.594 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.595 -8.689 11.628 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.116 -8.734 12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.935 -6.526 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.537 -6.618 13.242 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.746 -5.059 10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.282 -5.341 11.792 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.441 -10.175 9.319 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.099 -10.962 8.284 1.00 0.00 C ATOM 1196 C GLY A 76 -1.076 -11.494 7.288 1.00 0.00 C ATOM 1197 O GLY A 76 0.125 -11.493 7.561 1.00 0.00 O ATOM 0 H GLY A 76 -0.888 -10.721 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.639 -11.793 8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.836 -10.348 7.765 1.00 0.00 H new ATOM 1201 N SER A 77 -1.550 -11.949 6.136 1.00 0.00 N ATOM 1202 CA SER A 77 -0.654 -12.480 5.118 1.00 0.00 C ATOM 1203 C SER A 77 0.208 -11.377 4.522 1.00 0.00 C ATOM 1204 O SER A 77 -0.138 -10.198 4.581 1.00 0.00 O ATOM 1205 CB SER A 77 -1.451 -13.161 4.009 1.00 0.00 C ATOM 1206 OG SER A 77 -0.652 -13.236 2.834 1.00 0.00 O ATOM 0 H SER A 77 -2.538 -11.961 5.885 1.00 0.00 H new ATOM 0 HA SER A 77 -0.004 -13.213 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.752 -14.161 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.365 -12.602 3.806 1.00 0.00 H new ATOM 0 HG SER A 77 -1.160 -13.674 2.120 1.00 0.00 H new ATOM 1212 N ARG A 78 1.334 -11.777 3.948 1.00 0.00 N ATOM 1213 CA ARG A 78 2.252 -10.825 3.336 1.00 0.00 C ATOM 1214 C ARG A 78 2.035 -10.777 1.827 1.00 0.00 C ATOM 1215 O ARG A 78 1.770 -11.801 1.197 1.00 0.00 O ATOM 1216 CB ARG A 78 3.695 -11.236 3.633 1.00 0.00 C ATOM 1217 CG ARG A 78 4.640 -10.108 3.218 1.00 0.00 C ATOM 1218 CD ARG A 78 6.085 -10.523 3.499 1.00 0.00 C ATOM 1219 NE ARG A 78 6.524 -11.515 2.525 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.838 -11.161 1.284 1.00 0.00 C ATOM 1221 NH1 ARG A 78 5.894 -10.884 0.427 1.00 0.00 N ATOM 1222 NH2 ARG A 78 8.090 -11.088 0.924 1.00 0.00 N ATOM 0 H ARG A 78 1.634 -12.750 3.893 1.00 0.00 H new ATOM 0 HA ARG A 78 2.062 -9.836 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.812 -11.451 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.943 -12.150 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.514 -9.885 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.399 -9.197 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.736 -9.650 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.164 -10.932 4.506 1.00 0.00 H new ATOM 0 HE ARG A 78 6.591 -12.495 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.916 -10.939 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.134 -10.612 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.827 -11.303 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.332 -10.816 -0.029 1.00 0.00 H new ATOM 1236 N GLN A 79 2.152 -9.587 1.249 1.00 0.00 N ATOM 1237 CA GLN A 79 1.968 -9.432 -0.188 1.00 0.00 C ATOM 1238 C GLN A 79 2.977 -8.442 -0.750 1.00 0.00 C ATOM 1239 O GLN A 79 3.501 -7.594 -0.027 1.00 0.00 O ATOM 1240 CB GLN A 79 0.554 -8.932 -0.491 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.476 -9.959 -0.017 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.882 -9.465 -0.340 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.131 -8.258 -0.342 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.821 -10.326 -0.623 1.00 0.00 N ATOM 0 H GLN A 79 2.371 -8.724 1.747 1.00 0.00 H new ATOM 0 HA GLN A 79 2.118 -10.405 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.383 -7.977 0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.442 -8.759 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.297 -10.918 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.375 -10.121 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.614 -11.325 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.761 -10.000 -0.846 1.00 0.00 H new ATOM 1253 N VAL A 80 3.233 -8.547 -2.049 1.00 0.00 N ATOM 1254 CA VAL A 80 4.169 -7.646 -2.706 1.00 0.00 C ATOM 1255 C VAL A 80 3.530 -7.043 -3.949 1.00 0.00 C ATOM 1256 O VAL A 80 3.225 -7.751 -4.910 1.00 0.00 O ATOM 1257 CB VAL A 80 5.437 -8.406 -3.102 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.421 -7.451 -3.784 1.00 0.00 C ATOM 1259 CG2 VAL A 80 6.086 -8.994 -1.848 1.00 0.00 C ATOM 0 H VAL A 80 2.809 -9.242 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 80 4.429 -6.846 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 80 5.177 -9.208 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.322 -7.996 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.959 -7.030 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.683 -6.646 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.990 -9.536 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.343 -8.189 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.388 -9.677 -1.363 1.00 0.00 H new ATOM 1269 N LEU A 81 3.339 -5.731 -3.930 1.00 0.00 N ATOM 1270 CA LEU A 81 2.748 -5.045 -5.067 1.00 0.00 C ATOM 1271 C LEU A 81 3.803 -4.177 -5.735 1.00 0.00 C ATOM 1272 O LEU A 81 4.507 -3.428 -5.062 1.00 0.00 O ATOM 1273 CB LEU A 81 1.583 -4.170 -4.603 1.00 0.00 C ATOM 1274 CG LEU A 81 0.678 -4.959 -3.651 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.263 -3.990 -2.945 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.160 -5.971 -4.435 1.00 0.00 C ATOM 0 H LEU A 81 3.583 -5.126 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 81 2.376 -5.783 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.964 -3.280 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.009 -3.829 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 81 1.298 -5.487 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.911 -4.543 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.320 -3.263 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.872 -3.470 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.799 -6.525 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.779 -5.445 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.500 -6.665 -4.956 1.00 0.00 H new ATOM 1288 N SER A 82 3.920 -4.276 -7.051 1.00 0.00 N ATOM 1289 CA SER A 82 4.907 -3.478 -7.763 1.00 0.00 C ATOM 1290 C SER A 82 4.533 -3.311 -9.224 1.00 0.00 C ATOM 1291 O SER A 82 3.604 -3.949 -9.722 1.00 0.00 O ATOM 1292 CB SER A 82 6.291 -4.117 -7.666 1.00 0.00 C ATOM 1293 OG SER A 82 7.211 -3.354 -8.433 1.00 0.00 O ATOM 0 H SER A 82 3.355 -4.889 -7.639 1.00 0.00 H new ATOM 0 HA SER A 82 4.928 -2.495 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.613 -4.159 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.258 -5.143 -8.031 1.00 0.00 H new ATOM 0 HG SER A 82 7.237 -2.435 -8.093 1.00 0.00 H new ATOM 1299 N GLY A 83 5.276 -2.451 -9.901 1.00 0.00 N ATOM 1300 CA GLY A 83 5.040 -2.194 -11.316 1.00 0.00 C ATOM 1301 C GLY A 83 4.063 -1.040 -11.512 1.00 0.00 C ATOM 1302 O GLY A 83 3.067 -1.171 -12.223 1.00 0.00 O ATOM 0 H GLY A 83 6.047 -1.919 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.984 -1.962 -11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.645 -3.092 -11.791 1.00 0.00 H new ATOM 1306 N ILE A 84 4.367 0.087 -10.878 1.00 0.00 N ATOM 1307 CA ILE A 84 3.531 1.283 -10.974 1.00 0.00 C ATOM 1308 C ILE A 84 2.041 0.947 -10.891 1.00 0.00 C ATOM 1309 O ILE A 84 1.192 1.825 -11.044 1.00 0.00 O ATOM 1310 CB ILE A 84 3.825 2.005 -12.289 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.350 1.149 -13.468 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.331 2.231 -12.400 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.411 1.972 -14.754 1.00 0.00 C ATOM 0 H ILE A 84 5.191 0.200 -10.288 1.00 0.00 H new ATOM 0 HA ILE A 84 3.771 1.928 -10.129 1.00 0.00 H new ATOM 0 HB ILE A 84 3.301 2.961 -12.309 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.976 0.261 -13.562 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.331 0.804 -13.293 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.554 2.746 -13.335 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.671 2.839 -11.561 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.845 1.270 -12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.073 1.363 -15.592 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.767 2.846 -14.658 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.437 2.295 -14.931 1.00 0.00 H new ATOM 1325 N ASP A 85 1.730 -0.318 -10.641 1.00 0.00 N ATOM 1326 CA ASP A 85 0.339 -0.746 -10.533 1.00 0.00 C ATOM 1327 C ASP A 85 -0.081 -0.810 -9.068 1.00 0.00 C ATOM 1328 O ASP A 85 -1.133 -1.354 -8.731 1.00 0.00 O ATOM 1329 CB ASP A 85 0.164 -2.121 -11.182 1.00 0.00 C ATOM 1330 CG ASP A 85 0.943 -3.174 -10.401 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.705 -2.793 -9.527 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.770 -4.346 -10.692 1.00 0.00 O ATOM 0 H ASP A 85 2.415 -1.062 -10.510 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.291 -0.022 -11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.893 -2.386 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.513 -2.091 -12.214 1.00 0.00 H new ATOM 1337 N LEU A 86 0.765 -0.259 -8.206 1.00 0.00 N ATOM 1338 CA LEU A 86 0.509 -0.252 -6.772 1.00 0.00 C ATOM 1339 C LEU A 86 -0.906 0.213 -6.441 1.00 0.00 C ATOM 1340 O LEU A 86 -1.598 -0.414 -5.640 1.00 0.00 O ATOM 1341 CB LEU A 86 1.511 0.681 -6.095 1.00 0.00 C ATOM 1342 CG LEU A 86 2.932 0.204 -6.392 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.941 1.143 -5.724 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.107 -1.208 -5.840 1.00 0.00 C ATOM 0 H LEU A 86 1.639 0.191 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 86 0.616 -1.274 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.375 1.701 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.339 0.698 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 86 3.102 0.204 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.953 0.800 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.810 2.153 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.778 1.145 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.119 -1.557 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.939 -1.201 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.388 -1.876 -6.315 1.00 0.00 H new ATOM 1356 N THR A 87 -1.327 1.325 -7.034 1.00 0.00 N ATOM 1357 CA THR A 87 -2.654 1.860 -6.753 1.00 0.00 C ATOM 1358 C THR A 87 -3.752 0.930 -7.249 1.00 0.00 C ATOM 1359 O THR A 87 -4.779 0.769 -6.590 1.00 0.00 O ATOM 1360 CB THR A 87 -2.815 3.239 -7.396 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.753 3.109 -8.809 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.694 4.163 -6.917 1.00 0.00 C ATOM 0 H THR A 87 -0.778 1.866 -7.702 1.00 0.00 H new ATOM 0 HA THR A 87 -2.750 1.948 -5.671 1.00 0.00 H new ATOM 0 HB THR A 87 -3.778 3.663 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.858 3.991 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.810 5.145 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.742 4.262 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.729 3.742 -7.201 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.539 0.312 -8.402 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.535 -0.598 -8.937 1.00 0.00 C ATOM 1372 C ASP A 88 -4.562 -1.869 -8.101 1.00 0.00 C ATOM 1373 O ASP A 88 -5.622 -2.321 -7.658 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.194 -0.941 -10.387 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.309 0.304 -11.259 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.861 1.285 -10.787 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.844 0.259 -12.385 1.00 0.00 O ATOM 0 H ASP A 88 -2.702 0.422 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.515 -0.122 -8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.183 -1.344 -10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.868 -1.715 -10.754 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.383 -2.430 -7.874 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.266 -3.639 -7.078 1.00 0.00 C ATOM 1384 C GLN A 89 -3.591 -3.348 -5.613 1.00 0.00 C ATOM 1385 O GLN A 89 -4.307 -4.114 -4.968 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.853 -4.210 -7.209 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.931 -5.732 -7.325 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.549 -6.303 -7.624 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.428 -5.492 -7.927 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 -0.356 -7.518 -7.584 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.498 -2.068 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.981 -4.375 -7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.360 -3.792 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.254 -3.930 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.316 -6.156 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.627 -6.010 -8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.122 -8.149 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.570 -7.894 -7.788 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.071 -2.234 -5.091 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.334 -1.869 -3.701 1.00 0.00 C ATOM 1401 C LEU A 90 -4.833 -1.760 -3.455 1.00 0.00 C ATOM 1402 O LEU A 90 -5.362 -2.331 -2.501 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.659 -0.537 -3.370 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.008 -0.127 -1.940 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.401 -1.127 -0.956 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.438 1.266 -1.662 1.00 0.00 C ATOM 0 H LEU A 90 -2.476 -1.581 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.926 -2.648 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.578 -0.628 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.986 0.232 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.091 -0.114 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.651 -0.832 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.801 -2.121 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.317 -1.141 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.684 1.563 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.355 1.247 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.868 1.982 -2.363 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.513 -1.024 -4.326 1.00 0.00 N ATOM 1419 CA ALA A 91 -6.954 -0.846 -4.204 1.00 0.00 C ATOM 1420 C ALA A 91 -7.662 -2.195 -4.260 1.00 0.00 C ATOM 1421 O ALA A 91 -8.725 -2.374 -3.666 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.466 0.052 -5.332 1.00 0.00 C ATOM 0 H ALA A 91 -5.092 -0.543 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.167 -0.376 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.544 0.180 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.978 1.025 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.241 -0.409 -6.294 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.070 -3.136 -4.990 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.645 -4.465 -5.131 1.00 0.00 C ATOM 1430 C ASN A 92 -7.333 -5.331 -3.915 1.00 0.00 C ATOM 1431 O ASN A 92 -8.161 -6.133 -3.479 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.070 -5.130 -6.378 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.570 -4.416 -7.630 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.591 -3.730 -7.589 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -6.904 -4.536 -8.746 1.00 0.00 N ATOM 0 H ASN A 92 -6.193 -3.000 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.727 -4.365 -5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.981 -5.103 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.362 -6.180 -6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.229 -4.060 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.058 -5.105 -8.776 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.125 -5.179 -3.390 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.690 -5.964 -2.245 1.00 0.00 C ATOM 1444 C GLN A 93 -6.278 -5.442 -0.938 1.00 0.00 C ATOM 1445 O GLN A 93 -6.617 -6.223 -0.050 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.165 -5.938 -2.157 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.573 -6.657 -3.368 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.042 -8.106 -3.386 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.888 -8.823 -2.397 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.613 -8.582 -4.456 1.00 0.00 N ATOM 0 H GLN A 93 -5.430 -4.519 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.046 -6.984 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.810 -4.908 -2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.835 -6.420 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.878 -6.155 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.484 -6.618 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.740 -7.986 -5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.933 -9.550 -4.475 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.382 -4.126 -0.815 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.915 -3.538 0.404 1.00 0.00 C ATOM 1461 C LEU A 94 -8.275 -4.152 0.756 1.00 0.00 C ATOM 1462 O LEU A 94 -8.421 -4.760 1.816 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.011 -2.018 0.250 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.868 -1.433 1.374 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.307 -1.874 2.729 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.846 0.096 1.286 1.00 0.00 C ATOM 0 H LEU A 94 -6.109 -3.455 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.237 -3.757 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.014 -1.578 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.446 -1.769 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.893 -1.790 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.918 -1.457 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.321 -2.962 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.282 -1.518 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.456 0.515 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.821 0.452 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.246 0.411 0.322 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.256 -4.035 -0.104 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.604 -4.619 0.142 1.00 0.00 C ATOM 1480 C PRO A 95 -10.504 -6.070 0.604 1.00 0.00 C ATOM 1481 O PRO A 95 -11.202 -6.492 1.525 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.310 -4.553 -1.222 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.334 -3.959 -2.193 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.203 -3.331 -1.384 1.00 0.00 C ATOM 0 HA PRO A 95 -11.138 -4.080 0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.618 -5.547 -1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.212 -3.944 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.945 -4.726 -2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.822 -3.209 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.239 -3.465 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.350 -2.258 -1.257 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.626 -6.825 -0.051 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.429 -8.230 0.285 1.00 0.00 C ATOM 1494 C GLN A 96 -8.879 -8.369 1.698 1.00 0.00 C ATOM 1495 O GLN A 96 -9.228 -9.299 2.423 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.467 -8.865 -0.717 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.110 -8.835 -2.102 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.136 -9.359 -3.152 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.975 -9.627 -2.845 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.542 -9.515 -4.383 1.00 0.00 N ATOM 0 H GLN A 96 -9.041 -6.487 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.390 -8.743 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.521 -8.323 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.243 -9.892 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.016 -9.441 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.408 -7.816 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.505 -9.292 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.896 -9.860 -5.093 1.00 0.00 H new ATOM 1509 N TRP A 97 -8.021 -7.431 2.084 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.435 -7.455 3.418 1.00 0.00 C ATOM 1511 C TRP A 97 -8.520 -7.239 4.465 1.00 0.00 C ATOM 1512 O TRP A 97 -8.517 -7.870 5.521 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.382 -6.351 3.554 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.313 -6.534 2.524 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.192 -7.604 1.704 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.217 -5.635 2.186 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.086 -7.421 0.890 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.455 -6.221 1.149 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.812 -4.379 2.676 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.333 -5.586 0.616 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.682 -3.737 2.142 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.946 -4.339 1.112 1.00 0.00 C ATOM 0 H TRP A 97 -7.719 -6.652 1.499 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.964 -8.426 3.572 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.850 -5.374 3.435 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.945 -6.375 4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.850 -8.460 1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.776 -8.091 0.186 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.374 -3.906 3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.767 -6.056 -0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.379 -2.775 2.527 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.081 -3.839 0.702 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.444 -6.335 4.160 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.537 -6.030 5.069 1.00 0.00 C ATOM 1535 C LEU A 98 -11.638 -7.083 4.975 1.00 0.00 C ATOM 1536 O LEU A 98 -12.197 -7.507 5.986 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.114 -4.660 4.715 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.033 -3.591 4.884 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.531 -2.264 4.307 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.724 -3.411 6.373 1.00 0.00 C ATOM 0 H LEU A 98 -9.456 -5.802 3.290 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.152 -6.027 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.481 -4.662 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.966 -4.436 5.357 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.131 -3.902 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.760 -1.503 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.755 -2.389 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.433 -1.954 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.954 -2.650 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.628 -3.100 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.370 -4.355 6.788 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.953 -7.485 3.749 1.00 0.00 N ATOM 1553 CA VAL A 99 -13.003 -8.473 3.524 1.00 0.00 C ATOM 1554 C VAL A 99 -12.587 -9.858 4.017 1.00 0.00 C ATOM 1555 O VAL A 99 -13.307 -10.496 4.783 1.00 0.00 O ATOM 1556 CB VAL A 99 -13.318 -8.532 2.029 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -14.262 -9.699 1.746 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.978 -7.221 1.593 1.00 0.00 C ATOM 0 H VAL A 99 -11.500 -7.145 2.900 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.886 -8.172 4.087 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.392 -8.676 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.484 -9.737 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.789 -10.632 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.188 -9.562 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -14.202 -7.263 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.902 -7.075 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -13.300 -6.390 1.788 1.00 0.00 H new ATOM 1568 N GLN A 100 -11.415 -10.304 3.591 1.00 0.00 N ATOM 1569 CA GLN A 100 -10.900 -11.609 4.004 1.00 0.00 C ATOM 1570 C GLN A 100 -11.952 -12.710 3.844 1.00 0.00 C ATOM 1571 O GLN A 100 -12.006 -13.638 4.651 1.00 0.00 O ATOM 1572 CB GLN A 100 -10.451 -11.549 5.466 1.00 0.00 C ATOM 1573 CG GLN A 100 -9.339 -10.512 5.618 1.00 0.00 C ATOM 1574 CD GLN A 100 -7.981 -11.148 5.340 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -7.910 -12.283 4.868 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -6.892 -10.481 5.612 1.00 0.00 N ATOM 0 H GLN A 100 -10.801 -9.787 2.962 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.054 -11.850 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.294 -11.289 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.096 -12.528 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.508 -9.684 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.354 -10.097 6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.954 -9.541 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.979 -10.900 5.434 1.00 0.00 H new ATOM 1585 N GLN A 101 -12.777 -12.619 2.801 1.00 0.00 N ATOM 1586 CA GLN A 101 -13.801 -13.638 2.568 1.00 0.00 C ATOM 1587 C GLN A 101 -13.415 -14.527 1.391 1.00 0.00 C ATOM 1588 O GLN A 101 -13.147 -14.038 0.294 1.00 0.00 O ATOM 1589 CB GLN A 101 -15.160 -12.989 2.284 1.00 0.00 C ATOM 1590 CG GLN A 101 -15.682 -12.303 3.548 1.00 0.00 C ATOM 1591 CD GLN A 101 -17.023 -11.631 3.264 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -17.064 -10.455 2.900 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -18.128 -12.311 3.406 1.00 0.00 N ATOM 0 H GLN A 101 -12.759 -11.865 2.115 1.00 0.00 H new ATOM 0 HA GLN A 101 -13.876 -14.245 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -15.064 -12.262 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.871 -13.744 1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.795 -13.035 4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -14.961 -11.562 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.092 -13.285 3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -19.027 -11.869 3.215 1.00 0.00 H new ATOM 1602 N GLU A 102 -13.397 -15.834 1.623 1.00 0.00 N ATOM 1603 CA GLU A 102 -13.049 -16.780 0.571 1.00 0.00 C ATOM 1604 C GLU A 102 -14.311 -17.338 -0.082 1.00 0.00 C ATOM 1605 O GLU A 102 -14.237 -18.116 -1.034 1.00 0.00 O ATOM 1606 CB GLU A 102 -12.221 -17.925 1.157 1.00 0.00 C ATOM 1607 CG GLU A 102 -10.963 -17.358 1.820 1.00 0.00 C ATOM 1608 CD GLU A 102 -10.237 -16.427 0.854 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -9.994 -16.841 -0.267 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -9.935 -15.314 1.251 1.00 0.00 O ATOM 0 H GLU A 102 -13.618 -16.260 2.523 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.463 -16.260 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.812 -18.479 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.945 -18.628 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.233 -16.816 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.302 -18.171 2.120 1.00 0.00 H new ATOM 1617 N GLY A 103 -15.467 -16.939 0.442 1.00 0.00 N ATOM 1618 CA GLY A 103 -16.741 -17.408 -0.091 1.00 0.00 C ATOM 1619 C GLY A 103 -17.889 -17.043 0.847 1.00 0.00 C ATOM 1620 O GLY A 103 -17.702 -16.297 1.808 1.00 0.00 O ATOM 0 H GLY A 103 -15.547 -16.296 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.914 -16.967 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.707 -18.489 -0.228 1.00 0.00 H new ATOM 1624 N ILE A 104 -19.075 -17.577 0.565 1.00 0.00 N ATOM 1625 CA ILE A 104 -20.240 -17.300 1.397 1.00 0.00 C ATOM 1626 C ILE A 104 -20.567 -18.503 2.280 1.00 0.00 C ATOM 1627 O ILE A 104 -20.669 -19.631 1.798 1.00 0.00 O ATOM 1628 CB ILE A 104 -21.446 -16.962 0.517 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -21.101 -15.767 -0.374 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -22.643 -16.607 1.400 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -22.245 -15.513 -1.359 1.00 0.00 C ATOM 0 H ILE A 104 -19.253 -18.197 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 104 -20.011 -16.447 2.036 1.00 0.00 H new ATOM 0 HB ILE A 104 -21.697 -17.823 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -20.931 -14.881 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -20.176 -15.961 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -23.500 -16.367 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -22.888 -17.455 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -22.395 -15.745 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -21.997 -14.661 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -22.393 -16.396 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -23.160 -15.300 -0.807 1.00 0.00 H new ATOM 1643 N PHE A 105 -20.723 -18.252 3.577 1.00 0.00 N ATOM 1644 CA PHE A 105 -21.030 -19.318 4.527 1.00 0.00 C ATOM 1645 C PHE A 105 -21.823 -20.432 3.850 1.00 0.00 C ATOM 1646 O PHE A 105 -21.342 -21.553 3.840 1.00 0.00 O ATOM 1647 CB PHE A 105 -21.837 -18.754 5.698 1.00 0.00 C ATOM 1648 CG PHE A 105 -21.840 -19.746 6.839 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -20.749 -19.804 7.715 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -22.932 -20.603 7.023 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -20.751 -20.718 8.776 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -22.932 -21.518 8.084 1.00 0.00 C ATOM 1653 CZ PHE A 105 -21.842 -21.576 8.960 1.00 0.00 C ATOM 1654 OXT PHE A 105 -22.900 -20.148 3.352 1.00 0.00 O ATOM 0 H PHE A 105 -20.642 -17.324 3.993 1.00 0.00 H new ATOM 0 HA PHE A 105 -20.091 -19.731 4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -21.407 -17.808 6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -22.859 -18.546 5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.906 -19.144 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -23.774 -20.559 6.348 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -19.910 -20.761 9.453 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -23.774 -22.179 8.226 1.00 0.00 H new ATOM 0 HZ PHE A 105 -21.842 -22.282 9.777 1.00 0.00 H new TER 1664 PHE A 105