USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 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= -10.2! C(o=-19!,f=-23!) USER MOD Set 1.2: A 93 GLN : amide:sc= -5.73! C(o=-19!,f=-26!) USER MOD Set 1.3: A 96 GLN : amide:sc= -2.83 K(o=-19,f=-30!) USER MOD Set 2.1: A 16 GLN : amide:sc= -6.62! C(o=-7.7!,f=-4.1!) USER MOD Set 2.2: A 48 GLN : amide:sc= -1.04! K(o=-7.7!,f=-4.1) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.023) USER MOD Single : A 21 THR OG1 : rot -61:sc= 0.166! USER MOD Single : A 25 SER OG : rot -81:sc= 0.9 USER MOD Single : A 26 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.33) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -7.09! C(o=-7.1!,f=-6!) 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 51 ASN : amide:sc= -0.078 K(o=-0.078,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc= -14.9! C(o=-15!,f=-17!) USER MOD Single : A 57 GLN : amide:sc= -1.29! K(o=-1.3!,f=0) 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+ -150:sc= 0.186! (180deg=-0.946!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.231 USER MOD Single : A 82 SER OG : rot 61:sc= -2.97! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -6.54! C(o=-6.5!,f=-3.6!) USER MOD Single : A 92 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.16) USER MOD Single : A 100 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.73) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.672 1.315 35.946 1.00 0.00 N ATOM 2 CA GLY A 1 -0.611 -0.128 36.316 1.00 0.00 C ATOM 3 C GLY A 1 -0.596 -0.981 35.052 1.00 0.00 C ATOM 4 O GLY A 1 0.216 -0.761 34.155 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.682 1.895 36.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.160 1.562 35.373 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.537 1.496 35.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.282 -0.324 36.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.469 -0.392 36.934 1.00 0.00 H new ATOM 10 N SER A 2 -1.497 -1.958 34.990 1.00 0.00 N ATOM 11 CA SER A 2 -1.574 -2.843 33.832 1.00 0.00 C ATOM 12 C SER A 2 -2.843 -2.583 33.025 1.00 0.00 C ATOM 13 O SER A 2 -3.920 -2.380 33.586 1.00 0.00 O ATOM 14 CB SER A 2 -1.551 -4.299 34.291 1.00 0.00 C ATOM 15 OG SER A 2 -1.570 -5.150 33.153 1.00 0.00 O ATOM 0 H SER A 2 -2.179 -2.156 35.722 1.00 0.00 H new ATOM 0 HA SER A 2 -0.713 -2.643 33.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.659 -4.490 34.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.411 -4.505 34.928 1.00 0.00 H new ATOM 0 HG SER A 2 -1.554 -6.086 33.444 1.00 0.00 H new ATOM 21 N SER A 3 -2.702 -2.595 31.702 1.00 0.00 N ATOM 22 CA SER A 3 -3.838 -2.364 30.814 1.00 0.00 C ATOM 23 C SER A 3 -4.597 -3.665 30.556 1.00 0.00 C ATOM 24 O SER A 3 -4.131 -4.749 30.910 1.00 0.00 O ATOM 25 CB SER A 3 -3.356 -1.783 29.486 1.00 0.00 C ATOM 26 OG SER A 3 -2.664 -0.567 29.730 1.00 0.00 O ATOM 0 H SER A 3 -1.817 -2.761 31.223 1.00 0.00 H new ATOM 0 HA SER A 3 -4.510 -1.655 31.298 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.701 -2.493 28.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.204 -1.606 28.824 1.00 0.00 H new ATOM 0 HG SER A 3 -2.352 -0.192 28.880 1.00 0.00 H new ATOM 32 N LEU A 4 -5.769 -3.546 29.935 1.00 0.00 N ATOM 33 CA LEU A 4 -6.589 -4.715 29.628 1.00 0.00 C ATOM 34 C LEU A 4 -6.212 -5.289 28.263 1.00 0.00 C ATOM 35 O LEU A 4 -6.097 -4.554 27.281 1.00 0.00 O ATOM 36 CB LEU A 4 -8.069 -4.328 29.630 1.00 0.00 C ATOM 37 CG LEU A 4 -8.917 -5.570 29.359 1.00 0.00 C ATOM 38 CD1 LEU A 4 -8.883 -6.487 30.582 1.00 0.00 C ATOM 39 CD2 LEU A 4 -10.361 -5.151 29.077 1.00 0.00 C ATOM 0 H LEU A 4 -6.170 -2.657 29.636 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.411 -5.473 30.391 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.341 -3.891 30.591 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.260 -3.571 28.870 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.517 -6.101 28.495 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.488 -7.373 30.389 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.855 -6.786 30.784 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.282 -5.956 31.446 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.966 -6.037 28.884 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.761 -4.620 29.941 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.386 -4.497 28.205 1.00 0.00 H new ATOM 51 N SER A 5 -6.007 -6.603 28.210 1.00 0.00 N ATOM 52 CA SER A 5 -5.629 -7.257 26.960 1.00 0.00 C ATOM 53 C SER A 5 -6.573 -8.411 26.627 1.00 0.00 C ATOM 54 O SER A 5 -6.327 -9.556 27.008 1.00 0.00 O ATOM 55 CB SER A 5 -4.197 -7.783 27.060 1.00 0.00 C ATOM 56 OG SER A 5 -3.518 -7.529 25.835 1.00 0.00 O ATOM 0 H SER A 5 -6.095 -7.230 29.009 1.00 0.00 H new ATOM 0 HA SER A 5 -5.697 -6.518 26.162 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.676 -7.298 27.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.204 -8.852 27.271 1.00 0.00 H new ATOM 0 HG SER A 5 -2.599 -7.863 25.895 1.00 0.00 H new ATOM 62 N PRO A 6 -7.634 -8.130 25.916 1.00 0.00 N ATOM 63 CA PRO A 6 -8.627 -9.161 25.509 1.00 0.00 C ATOM 64 C PRO A 6 -8.067 -10.063 24.411 1.00 0.00 C ATOM 65 O PRO A 6 -6.871 -10.032 24.130 1.00 0.00 O ATOM 66 CB PRO A 6 -9.832 -8.362 24.988 1.00 0.00 C ATOM 67 CG PRO A 6 -9.489 -6.908 25.115 1.00 0.00 C ATOM 68 CD PRO A 6 -7.995 -6.800 25.423 1.00 0.00 C ATOM 0 HA PRO A 6 -8.891 -9.818 26.338 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.043 -8.618 23.950 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.727 -8.598 25.563 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.727 -6.378 24.193 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.076 -6.446 25.909 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.423 -6.536 24.534 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.797 -6.031 26.170 1.00 0.00 H new ATOM 76 N GLN A 7 -8.931 -10.856 23.790 1.00 0.00 N ATOM 77 CA GLN A 7 -8.491 -11.741 22.719 1.00 0.00 C ATOM 78 C GLN A 7 -8.711 -11.069 21.365 1.00 0.00 C ATOM 79 O GLN A 7 -8.302 -11.584 20.325 1.00 0.00 O ATOM 80 CB GLN A 7 -9.261 -13.063 22.769 1.00 0.00 C ATOM 81 CG GLN A 7 -8.558 -14.091 21.877 1.00 0.00 C ATOM 82 CD GLN A 7 -9.382 -15.370 21.788 1.00 0.00 C ATOM 83 OE1 GLN A 7 -10.117 -15.702 22.717 1.00 0.00 O ATOM 84 NE2 GLN A 7 -9.306 -16.107 20.713 1.00 0.00 N ATOM 0 H GLN A 7 -9.927 -10.905 24.005 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.429 -11.946 22.852 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.313 -13.429 23.795 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.287 -12.913 22.432 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.410 -13.676 20.880 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.570 -14.315 22.279 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.695 -15.828 19.945 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.857 -16.962 20.641 1.00 0.00 H new ATOM 93 N ALA A 8 -9.367 -9.913 21.391 1.00 0.00 N ATOM 94 CA ALA A 8 -9.646 -9.177 20.164 1.00 0.00 C ATOM 95 C ALA A 8 -8.878 -7.858 20.130 1.00 0.00 C ATOM 96 O ALA A 8 -9.433 -6.819 19.771 1.00 0.00 O ATOM 97 CB ALA A 8 -11.146 -8.896 20.050 1.00 0.00 C ATOM 0 H ALA A 8 -9.713 -9.469 22.242 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.323 -9.790 19.323 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.344 -8.346 19.130 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.693 -9.839 20.034 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.471 -8.303 20.905 1.00 0.00 H new ATOM 103 N LEU A 9 -7.601 -7.900 20.495 1.00 0.00 N ATOM 104 CA LEU A 9 -6.789 -6.693 20.486 1.00 0.00 C ATOM 105 C LEU A 9 -6.241 -6.443 19.087 1.00 0.00 C ATOM 106 O LEU A 9 -5.168 -6.927 18.727 1.00 0.00 O ATOM 107 CB LEU A 9 -5.633 -6.819 21.483 1.00 0.00 C ATOM 108 CG LEU A 9 -4.903 -8.146 21.263 1.00 0.00 C ATOM 109 CD1 LEU A 9 -3.399 -7.938 21.446 1.00 0.00 C ATOM 110 CD2 LEU A 9 -5.396 -9.173 22.281 1.00 0.00 C ATOM 0 H LEU A 9 -7.114 -8.744 20.796 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.415 -5.851 20.780 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.940 -5.987 21.358 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.013 -6.767 22.503 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.103 -8.505 20.253 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.879 -8.883 21.289 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.043 -7.204 20.723 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.202 -7.579 22.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.876 -10.118 22.125 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.195 -8.811 23.289 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.468 -9.323 22.156 1.00 0.00 H new ATOM 122 N ALA A 10 -6.994 -5.680 18.304 1.00 0.00 N ATOM 123 CA ALA A 10 -6.591 -5.361 16.944 1.00 0.00 C ATOM 124 C ALA A 10 -5.361 -4.464 16.956 1.00 0.00 C ATOM 125 O ALA A 10 -4.982 -3.928 17.997 1.00 0.00 O ATOM 126 CB ALA A 10 -7.735 -4.660 16.209 1.00 0.00 C ATOM 0 H ALA A 10 -7.885 -5.272 18.589 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.348 -6.288 16.426 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.424 -4.425 15.191 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.605 -5.316 16.180 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.993 -3.739 16.731 1.00 0.00 H new ATOM 132 N GLN A 11 -4.740 -4.307 15.794 1.00 0.00 N ATOM 133 CA GLN A 11 -3.549 -3.476 15.687 1.00 0.00 C ATOM 134 C GLN A 11 -3.501 -2.791 14.328 1.00 0.00 C ATOM 135 O GLN A 11 -3.951 -3.346 13.326 1.00 0.00 O ATOM 136 CB GLN A 11 -2.296 -4.337 15.856 1.00 0.00 C ATOM 137 CG GLN A 11 -2.042 -4.596 17.342 1.00 0.00 C ATOM 138 CD GLN A 11 -0.653 -5.195 17.533 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.493 -6.187 18.245 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.368 -4.645 16.936 1.00 0.00 N ATOM 0 H GLN A 11 -5.038 -4.740 14.920 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.585 -2.720 16.471 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.420 -5.283 15.329 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.436 -3.835 15.413 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.126 -3.665 17.902 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.798 -5.275 17.736 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.232 -3.823 16.347 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.302 -5.036 17.058 1.00 0.00 H new ATOM 149 N PRO A 12 -2.957 -1.606 14.278 1.00 0.00 N ATOM 150 CA PRO A 12 -2.844 -0.843 13.013 1.00 0.00 C ATOM 151 C PRO A 12 -2.235 -1.700 11.912 1.00 0.00 C ATOM 152 O PRO A 12 -1.455 -2.613 12.187 1.00 0.00 O ATOM 153 CB PRO A 12 -1.929 0.343 13.347 1.00 0.00 C ATOM 154 CG PRO A 12 -1.544 0.220 14.790 1.00 0.00 C ATOM 155 CD PRO A 12 -2.400 -0.877 15.419 1.00 0.00 C ATOM 0 HA PRO A 12 -3.818 -0.520 12.644 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.043 0.335 12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.443 1.287 13.166 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.486 -0.024 14.882 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.699 1.167 15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.803 -1.531 16.055 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.188 -0.457 16.044 1.00 0.00 H new ATOM 163 N LEU A 13 -2.591 -1.408 10.669 1.00 0.00 N ATOM 164 CA LEU A 13 -2.062 -2.170 9.552 1.00 0.00 C ATOM 165 C LEU A 13 -0.647 -1.719 9.254 1.00 0.00 C ATOM 166 O LEU A 13 -0.364 -0.521 9.216 1.00 0.00 O ATOM 167 CB LEU A 13 -2.929 -1.976 8.311 1.00 0.00 C ATOM 168 CG LEU A 13 -2.559 -3.022 7.263 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.628 -3.030 6.180 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.207 -2.681 6.630 1.00 0.00 C ATOM 0 H LEU A 13 -3.235 -0.660 10.413 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.064 -3.227 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.983 -2.066 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.785 -0.974 7.907 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.492 -4.001 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.375 -3.774 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.593 -3.276 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.683 -2.045 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.954 -3.435 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.265 -1.703 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.438 -2.663 7.402 1.00 0.00 H new ATOM 182 N LEU A 14 0.245 -2.674 9.046 1.00 0.00 N ATOM 183 CA LEU A 14 1.615 -2.339 8.758 1.00 0.00 C ATOM 184 C LEU A 14 1.855 -2.399 7.259 1.00 0.00 C ATOM 185 O LEU A 14 1.767 -3.459 6.641 1.00 0.00 O ATOM 186 CB LEU A 14 2.522 -3.314 9.498 1.00 0.00 C ATOM 187 CG LEU A 14 2.132 -3.321 10.976 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.204 -4.043 11.789 1.00 0.00 C ATOM 189 CD2 LEU A 14 1.986 -1.881 11.474 1.00 0.00 C ATOM 0 H LEU A 14 0.041 -3.673 9.072 1.00 0.00 H new ATOM 0 HA LEU A 14 1.835 -1.325 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.425 -4.315 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.565 -3.020 9.384 1.00 0.00 H new ATOM 0 HG LEU A 14 1.182 -3.842 11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.922 -4.046 12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.298 -5.070 11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.158 -3.530 11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.708 -1.887 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.933 -1.356 11.352 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.213 -1.373 10.898 1.00 0.00 H new ATOM 201 N LEU A 15 2.134 -1.242 6.682 1.00 0.00 N ATOM 202 CA LEU A 15 2.361 -1.149 5.251 1.00 0.00 C ATOM 203 C LEU A 15 3.624 -0.339 4.973 1.00 0.00 C ATOM 204 O LEU A 15 3.819 0.734 5.547 1.00 0.00 O ATOM 205 CB LEU A 15 1.138 -0.485 4.599 1.00 0.00 C ATOM 206 CG LEU A 15 1.134 -0.711 3.085 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.308 0.040 2.455 1.00 0.00 C ATOM 208 CD2 LEU A 15 1.252 -2.209 2.792 1.00 0.00 C ATOM 0 H LEU A 15 2.208 -0.356 7.182 1.00 0.00 H new ATOM 0 HA LEU A 15 2.499 -2.145 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.224 -0.891 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.144 0.584 4.811 1.00 0.00 H new ATOM 0 HG LEU A 15 0.202 -0.337 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.306 -0.120 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.212 1.106 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.244 -0.329 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.249 -2.370 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.182 -2.590 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.409 -2.735 3.240 1.00 0.00 H new ATOM 220 N GLN A 16 4.480 -0.856 4.095 1.00 0.00 N ATOM 221 CA GLN A 16 5.716 -0.157 3.765 1.00 0.00 C ATOM 222 C GLN A 16 5.911 -0.071 2.258 1.00 0.00 C ATOM 223 O GLN A 16 5.752 -1.057 1.539 1.00 0.00 O ATOM 224 CB GLN A 16 6.906 -0.870 4.408 1.00 0.00 C ATOM 225 CG GLN A 16 6.986 -0.470 5.881 1.00 0.00 C ATOM 226 CD GLN A 16 8.152 -1.177 6.559 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.435 -0.924 7.731 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.851 -2.054 5.892 1.00 0.00 N ATOM 0 H GLN A 16 4.343 -1.741 3.607 1.00 0.00 H new ATOM 0 HA GLN A 16 5.649 0.858 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.793 -1.950 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.829 -0.602 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.108 0.610 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.054 -0.726 6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.616 -2.263 4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.633 -2.531 6.341 1.00 0.00 H new ATOM 237 N LEU A 17 6.252 1.125 1.794 1.00 0.00 N ATOM 238 CA LEU A 17 6.468 1.359 0.375 1.00 0.00 C ATOM 239 C LEU A 17 7.951 1.536 0.075 1.00 0.00 C ATOM 240 O LEU A 17 8.633 2.332 0.720 1.00 0.00 O ATOM 241 CB LEU A 17 5.695 2.606 -0.065 1.00 0.00 C ATOM 242 CG LEU A 17 5.922 2.873 -1.558 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.981 1.999 -2.385 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.642 4.348 -1.854 1.00 0.00 C ATOM 0 H LEU A 17 6.385 1.948 2.382 1.00 0.00 H new ATOM 0 HA LEU A 17 6.107 0.492 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.631 2.470 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.018 3.468 0.519 1.00 0.00 H new ATOM 0 HG LEU A 17 6.954 2.636 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.144 2.191 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.178 0.949 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.948 2.233 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.802 4.543 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.610 4.582 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.315 4.971 -1.265 1.00 0.00 H new ATOM 256 N PHE A 18 8.440 0.803 -0.917 1.00 0.00 N ATOM 257 CA PHE A 18 9.840 0.905 -1.305 1.00 0.00 C ATOM 258 C PHE A 18 9.978 1.821 -2.510 1.00 0.00 C ATOM 259 O PHE A 18 9.362 1.588 -3.552 1.00 0.00 O ATOM 260 CB PHE A 18 10.396 -0.479 -1.640 1.00 0.00 C ATOM 261 CG PHE A 18 10.737 -1.196 -0.358 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.724 -1.541 0.540 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.071 -1.507 -0.067 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.042 -2.197 1.736 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.393 -2.166 1.127 1.00 0.00 C ATOM 266 CZ PHE A 18 11.377 -2.510 2.028 1.00 0.00 C ATOM 0 H PHE A 18 7.893 0.137 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 18 10.406 1.321 -0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.663 -1.052 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.283 -0.387 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.696 -1.302 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.852 -1.239 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.260 -2.461 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.421 -2.408 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.623 -3.017 2.949 1.00 0.00 H new ATOM 276 N VAL A 19 10.773 2.873 -2.361 1.00 0.00 N ATOM 277 CA VAL A 19 10.959 3.824 -3.452 1.00 0.00 C ATOM 278 C VAL A 19 12.437 4.108 -3.707 1.00 0.00 C ATOM 279 O VAL A 19 13.281 3.922 -2.828 1.00 0.00 O ATOM 280 CB VAL A 19 10.246 5.133 -3.114 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.805 4.836 -2.692 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.979 5.826 -1.963 1.00 0.00 C ATOM 0 H VAL A 19 11.292 3.088 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 19 10.537 3.384 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 19 10.242 5.782 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.297 5.770 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.282 4.338 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.809 4.188 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.473 6.760 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.981 5.175 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.006 6.037 -2.260 1.00 0.00 H new ATOM 292 N ASP A 20 12.734 4.576 -4.919 1.00 0.00 N ATOM 293 CA ASP A 20 14.105 4.908 -5.295 1.00 0.00 C ATOM 294 C ASP A 20 14.324 6.417 -5.192 1.00 0.00 C ATOM 295 O ASP A 20 15.273 6.958 -5.755 1.00 0.00 O ATOM 296 CB ASP A 20 14.395 4.439 -6.723 1.00 0.00 C ATOM 297 CG ASP A 20 13.596 5.271 -7.720 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.756 6.038 -7.280 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.835 5.126 -8.907 1.00 0.00 O ATOM 0 H ASP A 20 12.045 4.733 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 20 14.786 4.399 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.461 4.529 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.137 3.385 -6.827 1.00 0.00 H new ATOM 304 N THR A 21 13.429 7.084 -4.463 1.00 0.00 N ATOM 305 CA THR A 21 13.507 8.532 -4.270 1.00 0.00 C ATOM 306 C THR A 21 13.059 9.298 -5.515 1.00 0.00 C ATOM 307 O THR A 21 13.115 10.529 -5.541 1.00 0.00 O ATOM 308 CB THR A 21 14.940 8.938 -3.910 1.00 0.00 C ATOM 309 OG1 THR A 21 15.727 9.003 -5.091 1.00 0.00 O ATOM 310 CG2 THR A 21 15.539 7.906 -2.956 1.00 0.00 C ATOM 0 H THR A 21 12.638 6.642 -3.994 1.00 0.00 H new ATOM 0 HA THR A 21 12.831 8.789 -3.454 1.00 0.00 H new ATOM 0 HB THR A 21 14.928 9.915 -3.427 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.747 8.122 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.558 8.195 -2.700 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.937 7.857 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.549 6.928 -3.438 1.00 0.00 H new ATOM 318 N ARG A 22 12.601 8.583 -6.540 1.00 0.00 N ATOM 319 CA ARG A 22 12.138 9.244 -7.758 1.00 0.00 C ATOM 320 C ARG A 22 10.780 9.909 -7.507 1.00 0.00 C ATOM 321 O ARG A 22 9.948 9.376 -6.772 1.00 0.00 O ATOM 322 CB ARG A 22 12.032 8.237 -8.906 1.00 0.00 C ATOM 323 CG ARG A 22 10.820 7.331 -8.695 1.00 0.00 C ATOM 324 CD ARG A 22 10.916 6.135 -9.643 1.00 0.00 C ATOM 325 NE ARG A 22 11.275 6.583 -10.985 1.00 0.00 N ATOM 326 CZ ARG A 22 11.111 5.793 -12.041 1.00 0.00 C ATOM 327 NH1 ARG A 22 9.923 5.634 -12.558 1.00 0.00 N ATOM 328 NH2 ARG A 22 12.138 5.180 -12.564 1.00 0.00 N ATOM 0 H ARG A 22 12.541 7.565 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 22 12.861 10.010 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.942 8.764 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.940 7.637 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.782 6.989 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.900 7.885 -8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.661 5.429 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.963 5.606 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 22 11.659 7.519 -11.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.121 6.116 -12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.796 5.028 -13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.067 5.307 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.012 4.574 -13.374 1.00 0.00 H new ATOM 342 N PRO A 23 10.553 11.065 -8.079 1.00 0.00 N ATOM 343 CA PRO A 23 9.284 11.820 -7.887 1.00 0.00 C ATOM 344 C PRO A 23 8.050 10.961 -8.134 1.00 0.00 C ATOM 345 O PRO A 23 7.032 11.118 -7.460 1.00 0.00 O ATOM 346 CB PRO A 23 9.337 12.958 -8.914 1.00 0.00 C ATOM 347 CG PRO A 23 10.615 12.810 -9.678 1.00 0.00 C ATOM 348 CD PRO A 23 11.481 11.772 -8.962 1.00 0.00 C ATOM 0 HA PRO A 23 9.202 12.172 -6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.480 12.909 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.297 13.927 -8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.412 12.495 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.136 13.765 -9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.951 11.090 -9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.283 12.247 -8.397 1.00 0.00 H new ATOM 356 N LEU A 24 8.139 10.060 -9.107 1.00 0.00 N ATOM 357 CA LEU A 24 7.008 9.198 -9.423 1.00 0.00 C ATOM 358 C LEU A 24 6.558 8.449 -8.175 1.00 0.00 C ATOM 359 O LEU A 24 5.362 8.332 -7.907 1.00 0.00 O ATOM 360 CB LEU A 24 7.390 8.193 -10.506 1.00 0.00 C ATOM 361 CG LEU A 24 6.155 7.384 -10.898 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.285 8.207 -11.851 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.595 6.092 -11.587 1.00 0.00 C ATOM 0 H LEU A 24 8.968 9.909 -9.681 1.00 0.00 H new ATOM 0 HA LEU A 24 6.192 9.821 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.790 8.713 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.174 7.529 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 24 5.578 7.141 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.404 7.629 -12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.974 9.127 -11.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.857 8.452 -12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.716 5.512 -11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.171 6.334 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.212 5.508 -10.905 1.00 0.00 H new ATOM 375 N SER A 25 7.524 7.955 -7.404 1.00 0.00 N ATOM 376 CA SER A 25 7.200 7.234 -6.182 1.00 0.00 C ATOM 377 C SER A 25 6.517 8.179 -5.203 1.00 0.00 C ATOM 378 O SER A 25 5.517 7.826 -4.576 1.00 0.00 O ATOM 379 CB SER A 25 8.468 6.662 -5.553 1.00 0.00 C ATOM 380 OG SER A 25 9.280 7.724 -5.069 1.00 0.00 O ATOM 0 H SER A 25 8.521 8.040 -7.601 1.00 0.00 H new ATOM 0 HA SER A 25 6.528 6.410 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.209 5.987 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.019 6.076 -6.289 1.00 0.00 H new ATOM 0 HG SER A 25 9.793 8.108 -5.811 1.00 0.00 H new ATOM 386 N GLN A 26 7.037 9.400 -5.111 1.00 0.00 N ATOM 387 CA GLN A 26 6.437 10.403 -4.247 1.00 0.00 C ATOM 388 C GLN A 26 5.044 10.693 -4.781 1.00 0.00 C ATOM 389 O GLN A 26 4.097 10.941 -4.033 1.00 0.00 O ATOM 390 CB GLN A 26 7.282 11.680 -4.258 1.00 0.00 C ATOM 391 CG GLN A 26 8.669 11.378 -3.686 1.00 0.00 C ATOM 392 CD GLN A 26 8.544 10.893 -2.246 1.00 0.00 C ATOM 393 OE1 GLN A 26 7.919 11.558 -1.420 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.100 9.765 -1.895 1.00 0.00 N ATOM 0 H GLN A 26 7.864 9.713 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 26 6.385 10.042 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.371 12.061 -5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.795 12.457 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.164 10.620 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.290 12.273 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.617 9.216 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.017 9.433 -0.934 1.00 0.00 H new ATOM 403 N HIS A 27 4.951 10.624 -6.102 1.00 0.00 N ATOM 404 CA HIS A 27 3.704 10.838 -6.815 1.00 0.00 C ATOM 405 C HIS A 27 2.726 9.721 -6.462 1.00 0.00 C ATOM 406 O HIS A 27 1.611 9.961 -5.987 1.00 0.00 O ATOM 407 CB HIS A 27 4.017 10.795 -8.308 1.00 0.00 C ATOM 408 CG HIS A 27 3.118 11.710 -9.076 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.796 11.936 -8.735 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.360 12.468 -10.189 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.292 12.805 -9.633 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.207 13.163 -10.543 1.00 0.00 N ATOM 0 H HIS A 27 5.743 10.417 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 27 3.258 11.795 -6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.056 11.080 -8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.903 9.776 -8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.303 12.519 -10.713 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.275 13.168 -9.620 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.085 13.806 -11.326 1.00 0.00 H new ATOM 420 N ILE A 28 3.175 8.488 -6.680 1.00 0.00 N ATOM 421 CA ILE A 28 2.366 7.320 -6.372 1.00 0.00 C ATOM 422 C ILE A 28 2.103 7.247 -4.874 1.00 0.00 C ATOM 423 O ILE A 28 1.050 6.778 -4.441 1.00 0.00 O ATOM 424 CB ILE A 28 3.077 6.047 -6.837 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.229 6.077 -8.360 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.256 4.821 -6.431 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.956 4.814 -8.829 1.00 0.00 C ATOM 0 H ILE A 28 4.094 8.275 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 28 1.415 7.406 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 28 4.061 5.992 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.249 6.141 -8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.787 6.963 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.765 3.916 -6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.147 4.799 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.270 4.874 -6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.063 4.837 -9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.943 4.770 -8.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.381 3.934 -8.540 1.00 0.00 H new ATOM 439 N VAL A 29 3.062 7.725 -4.083 1.00 0.00 N ATOM 440 CA VAL A 29 2.908 7.712 -2.634 1.00 0.00 C ATOM 441 C VAL A 29 1.632 8.441 -2.255 1.00 0.00 C ATOM 442 O VAL A 29 0.839 7.950 -1.451 1.00 0.00 O ATOM 443 CB VAL A 29 4.109 8.384 -1.969 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.783 8.659 -0.501 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.324 7.456 -2.054 1.00 0.00 C ATOM 0 H VAL A 29 3.941 8.120 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 29 2.852 6.679 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 29 4.332 9.322 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.637 9.138 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.916 9.316 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.564 7.719 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.181 7.934 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.103 6.519 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.554 7.253 -3.100 1.00 0.00 H new ATOM 455 N GLN A 30 1.419 9.602 -2.862 1.00 0.00 N ATOM 456 CA GLN A 30 0.210 10.360 -2.591 1.00 0.00 C ATOM 457 C GLN A 30 -0.995 9.516 -2.967 1.00 0.00 C ATOM 458 O GLN A 30 -1.985 9.469 -2.241 1.00 0.00 O ATOM 459 CB GLN A 30 0.189 11.661 -3.393 1.00 0.00 C ATOM 460 CG GLN A 30 1.305 12.584 -2.911 1.00 0.00 C ATOM 461 CD GLN A 30 1.076 12.966 -1.452 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.336 12.168 -0.552 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.599 14.145 -1.164 1.00 0.00 N ATOM 0 H GLN A 30 2.056 10.031 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 30 0.182 10.611 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.315 11.447 -4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.777 12.153 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.270 12.088 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.338 13.481 -3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.384 14.805 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.441 14.407 -0.191 1.00 0.00 H new ATOM 472 N ARG A 31 -0.894 8.829 -4.101 1.00 0.00 N ATOM 473 CA ARG A 31 -1.987 7.975 -4.544 1.00 0.00 C ATOM 474 C ARG A 31 -2.229 6.874 -3.522 1.00 0.00 C ATOM 475 O ARG A 31 -3.369 6.569 -3.181 1.00 0.00 O ATOM 476 CB ARG A 31 -1.661 7.348 -5.898 1.00 0.00 C ATOM 477 CG ARG A 31 -1.534 8.448 -6.948 1.00 0.00 C ATOM 478 CD ARG A 31 -1.387 7.820 -8.332 1.00 0.00 C ATOM 479 NE ARG A 31 -0.985 8.831 -9.304 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.701 9.054 -10.401 1.00 0.00 C ATOM 481 NH1 ARG A 31 -1.516 8.316 -11.460 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.588 10.010 -10.417 1.00 0.00 N ATOM 0 H ARG A 31 -0.082 8.846 -4.719 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.884 8.585 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.732 6.781 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.444 6.646 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.412 9.093 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.670 9.076 -6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.646 7.021 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.331 7.368 -8.636 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.139 9.376 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.822 7.568 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.065 8.486 -12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.732 10.586 -9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.138 10.182 -11.259 1.00 0.00 H new ATOM 496 N VAL A 32 -1.146 6.294 -3.023 1.00 0.00 N ATOM 497 CA VAL A 32 -1.256 5.244 -2.025 1.00 0.00 C ATOM 498 C VAL A 32 -1.858 5.808 -0.743 1.00 0.00 C ATOM 499 O VAL A 32 -2.831 5.275 -0.211 1.00 0.00 O ATOM 500 CB VAL A 32 0.125 4.661 -1.737 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.062 3.792 -0.483 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.573 3.811 -2.928 1.00 0.00 C ATOM 0 H VAL A 32 -0.191 6.531 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.906 4.456 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 32 0.837 5.471 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.049 3.376 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.259 4.398 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.649 2.980 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.559 3.393 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.139 3.001 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.619 4.433 -3.822 1.00 0.00 H new ATOM 512 N LYS A 33 -1.275 6.902 -0.263 1.00 0.00 N ATOM 513 CA LYS A 33 -1.757 7.553 0.946 1.00 0.00 C ATOM 514 C LYS A 33 -3.184 8.060 0.762 1.00 0.00 C ATOM 515 O LYS A 33 -4.019 7.929 1.658 1.00 0.00 O ATOM 516 CB LYS A 33 -0.840 8.719 1.295 1.00 0.00 C ATOM 517 CG LYS A 33 0.520 8.177 1.734 1.00 0.00 C ATOM 518 CD LYS A 33 1.384 9.330 2.239 1.00 0.00 C ATOM 519 CE LYS A 33 2.749 8.799 2.680 1.00 0.00 C ATOM 520 NZ LYS A 33 3.178 9.504 3.921 1.00 0.00 N ATOM 0 H LYS A 33 -0.469 7.355 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.754 6.824 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.722 9.375 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.281 9.317 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.391 7.433 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.012 7.677 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.510 10.074 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.890 9.828 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.693 7.725 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.484 8.952 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.106 9.144 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.247 10.525 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.481 9.336 4.674 1.00 0.00 H new ATOM 534 N ASN A 34 -3.451 8.648 -0.401 1.00 0.00 N ATOM 535 CA ASN A 34 -4.774 9.181 -0.691 1.00 0.00 C ATOM 536 C ASN A 34 -5.823 8.074 -0.695 1.00 0.00 C ATOM 537 O ASN A 34 -6.912 8.235 -0.144 1.00 0.00 O ATOM 538 CB ASN A 34 -4.750 9.871 -2.055 1.00 0.00 C ATOM 539 CG ASN A 34 -3.808 11.073 -2.019 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.656 11.711 -0.979 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.159 11.415 -3.099 1.00 0.00 N ATOM 0 H ASN A 34 -2.771 8.766 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.039 9.897 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.425 9.167 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.755 10.195 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.524 12.213 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.287 10.884 -3.960 1.00 0.00 H new ATOM 548 N ILE A 35 -5.489 6.951 -1.320 1.00 0.00 N ATOM 549 CA ILE A 35 -6.414 5.821 -1.393 1.00 0.00 C ATOM 550 C ILE A 35 -6.628 5.186 -0.022 1.00 0.00 C ATOM 551 O ILE A 35 -7.766 5.001 0.409 1.00 0.00 O ATOM 552 CB ILE A 35 -5.876 4.772 -2.361 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.894 5.337 -3.785 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.748 3.516 -2.295 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.104 4.410 -4.710 1.00 0.00 C ATOM 0 H ILE A 35 -4.592 6.797 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.373 6.197 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.853 4.514 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.921 5.431 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.460 6.337 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.362 2.768 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.732 3.115 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.772 3.769 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.116 4.811 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.074 4.338 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.558 3.419 -4.706 1.00 0.00 H new ATOM 567 N LEU A 36 -5.538 4.854 0.667 1.00 0.00 N ATOM 568 CA LEU A 36 -5.655 4.245 1.987 1.00 0.00 C ATOM 569 C LEU A 36 -6.414 5.172 2.920 1.00 0.00 C ATOM 570 O LEU A 36 -7.274 4.737 3.686 1.00 0.00 O ATOM 571 CB LEU A 36 -4.268 3.959 2.569 1.00 0.00 C ATOM 572 CG LEU A 36 -3.563 2.898 1.725 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.216 2.549 2.364 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.438 1.642 1.662 1.00 0.00 C ATOM 0 H LEU A 36 -4.582 4.993 0.340 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.198 3.305 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.676 4.874 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.359 3.616 3.600 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.397 3.281 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.713 1.792 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.595 3.443 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.380 2.163 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.940 0.881 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.599 1.260 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.398 1.890 1.210 1.00 0.00 H new ATOM 586 N ALA A 37 -6.103 6.458 2.834 1.00 0.00 N ATOM 587 CA ALA A 37 -6.770 7.452 3.658 1.00 0.00 C ATOM 588 C ALA A 37 -8.217 7.601 3.215 1.00 0.00 C ATOM 589 O ALA A 37 -9.030 8.217 3.905 1.00 0.00 O ATOM 590 CB ALA A 37 -6.054 8.798 3.540 1.00 0.00 C ATOM 0 H ALA A 37 -5.395 6.835 2.204 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.743 7.125 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.562 9.536 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.022 8.691 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.068 9.127 2.501 1.00 0.00 H new ATOM 596 N ALA A 38 -8.530 7.044 2.047 1.00 0.00 N ATOM 597 CA ALA A 38 -9.879 7.136 1.512 1.00 0.00 C ATOM 598 C ALA A 38 -10.794 6.077 2.121 1.00 0.00 C ATOM 599 O ALA A 38 -12.017 6.182 2.034 1.00 0.00 O ATOM 600 CB ALA A 38 -9.844 6.961 -0.006 1.00 0.00 C ATOM 0 H ALA A 38 -7.872 6.530 1.461 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.275 8.119 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.856 7.030 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.226 7.742 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.424 5.985 -0.250 1.00 0.00 H new ATOM 606 N VAL A 39 -10.202 5.055 2.725 1.00 0.00 N ATOM 607 CA VAL A 39 -10.991 3.986 3.327 1.00 0.00 C ATOM 608 C VAL A 39 -11.328 4.296 4.786 1.00 0.00 C ATOM 609 O VAL A 39 -12.062 3.545 5.430 1.00 0.00 O ATOM 610 CB VAL A 39 -10.235 2.659 3.244 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.041 2.687 4.202 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.176 1.512 3.630 1.00 0.00 C ATOM 0 H VAL A 39 -9.192 4.943 2.811 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.924 3.908 2.769 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.876 2.509 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.504 1.741 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.372 3.502 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.396 2.838 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.639 0.565 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.535 1.663 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.024 1.491 2.945 1.00 0.00 H new ATOM 622 N GLU A 40 -10.788 5.393 5.307 1.00 0.00 N ATOM 623 CA GLU A 40 -11.046 5.762 6.696 1.00 0.00 C ATOM 624 C GLU A 40 -11.010 4.521 7.586 1.00 0.00 C ATOM 625 O GLU A 40 -9.970 3.880 7.728 1.00 0.00 O ATOM 626 CB GLU A 40 -12.414 6.436 6.814 1.00 0.00 C ATOM 627 CG GLU A 40 -12.389 7.779 6.083 1.00 0.00 C ATOM 628 CD GLU A 40 -11.368 8.708 6.731 1.00 0.00 C ATOM 629 OE1 GLU A 40 -10.964 8.426 7.847 1.00 0.00 O ATOM 630 OE2 GLU A 40 -11.006 9.688 6.102 1.00 0.00 O ATOM 0 H GLU A 40 -10.178 6.034 4.799 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.273 6.458 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.185 5.793 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.667 6.586 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.139 7.626 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.378 8.236 6.112 1.00 0.00 H new ATOM 637 N ALA A 41 -12.155 4.181 8.173 1.00 0.00 N ATOM 638 CA ALA A 41 -12.241 3.005 9.036 1.00 0.00 C ATOM 639 C ALA A 41 -11.711 3.315 10.432 1.00 0.00 C ATOM 640 O ALA A 41 -11.011 4.307 10.635 1.00 0.00 O ATOM 641 CB ALA A 41 -11.437 1.854 8.427 1.00 0.00 C ATOM 0 H ALA A 41 -13.029 4.697 8.069 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.289 2.717 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.505 0.980 9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.839 1.609 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.393 2.152 8.328 1.00 0.00 H new ATOM 647 N THR A 42 -12.043 2.455 11.391 1.00 0.00 N ATOM 648 CA THR A 42 -11.590 2.641 12.765 1.00 0.00 C ATOM 649 C THR A 42 -10.170 2.103 12.936 1.00 0.00 C ATOM 650 O THR A 42 -9.550 2.290 13.983 1.00 0.00 O ATOM 651 CB THR A 42 -12.534 1.922 13.732 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.573 0.536 13.415 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.938 2.514 13.612 1.00 0.00 C ATOM 0 H THR A 42 -12.621 1.627 11.243 1.00 0.00 H new ATOM 0 HA THR A 42 -11.592 3.708 12.988 1.00 0.00 H new ATOM 0 HB THR A 42 -12.174 2.050 14.753 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.176 0.075 14.035 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.609 2.001 14.301 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.907 3.576 13.858 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.300 2.388 12.592 1.00 0.00 H new ATOM 661 N VAL A 43 -9.667 1.433 11.903 1.00 0.00 N ATOM 662 CA VAL A 43 -8.326 0.869 11.944 1.00 0.00 C ATOM 663 C VAL A 43 -7.490 1.381 10.773 1.00 0.00 C ATOM 664 O VAL A 43 -7.380 0.722 9.738 1.00 0.00 O ATOM 665 CB VAL A 43 -8.412 -0.652 11.881 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.735 -1.208 13.268 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.516 -1.055 10.901 1.00 0.00 C ATOM 0 H VAL A 43 -10.168 1.269 11.030 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.847 1.175 12.874 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.457 -1.056 11.545 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.796 -2.295 13.219 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.950 -0.919 13.967 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.690 -0.806 13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.581 -2.142 10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.469 -0.649 11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.285 -0.661 9.911 1.00 0.00 H new ATOM 677 N PRO A 44 -6.907 2.538 10.925 1.00 0.00 N ATOM 678 CA PRO A 44 -6.063 3.163 9.868 1.00 0.00 C ATOM 679 C PRO A 44 -4.792 2.363 9.572 1.00 0.00 C ATOM 680 O PRO A 44 -4.368 1.527 10.369 1.00 0.00 O ATOM 681 CB PRO A 44 -5.721 4.559 10.401 1.00 0.00 C ATOM 682 CG PRO A 44 -6.390 4.713 11.734 1.00 0.00 C ATOM 683 CD PRO A 44 -6.997 3.367 12.132 1.00 0.00 C ATOM 0 HA PRO A 44 -6.598 3.198 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.642 4.678 10.498 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.065 5.328 9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.669 5.040 12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.165 5.477 11.682 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.451 2.917 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.031 3.481 12.456 1.00 0.00 H new ATOM 691 N ILE A 45 -4.194 2.635 8.415 1.00 0.00 N ATOM 692 CA ILE A 45 -2.971 1.952 8.000 1.00 0.00 C ATOM 693 C ILE A 45 -1.764 2.864 8.186 1.00 0.00 C ATOM 694 O ILE A 45 -1.854 4.070 7.955 1.00 0.00 O ATOM 695 CB ILE A 45 -3.055 1.566 6.522 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.336 0.770 6.259 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.836 0.710 6.151 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.462 1.721 5.848 1.00 0.00 C ATOM 0 H ILE A 45 -4.537 3.325 7.747 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.861 1.059 8.615 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.068 2.472 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.163 0.035 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.622 0.218 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.893 0.433 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.924 1.280 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.825 -0.192 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.371 1.149 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.642 2.439 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.176 2.253 4.941 1.00 0.00 H new ATOM 710 N SER A 46 -0.629 2.290 8.578 1.00 0.00 N ATOM 711 CA SER A 46 0.578 3.088 8.754 1.00 0.00 C ATOM 712 C SER A 46 1.505 2.865 7.566 1.00 0.00 C ATOM 713 O SER A 46 2.041 1.772 7.384 1.00 0.00 O ATOM 714 CB SER A 46 1.290 2.695 10.049 1.00 0.00 C ATOM 715 OG SER A 46 2.304 3.649 10.334 1.00 0.00 O ATOM 0 H SER A 46 -0.521 1.295 8.776 1.00 0.00 H new ATOM 0 HA SER A 46 0.305 4.142 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.576 2.649 10.871 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.727 1.701 9.951 1.00 0.00 H new ATOM 0 HG SER A 46 2.762 3.402 11.164 1.00 0.00 H new ATOM 721 N LEU A 47 1.681 3.901 6.751 1.00 0.00 N ATOM 722 CA LEU A 47 2.534 3.779 5.577 1.00 0.00 C ATOM 723 C LEU A 47 3.927 4.321 5.866 1.00 0.00 C ATOM 724 O LEU A 47 4.092 5.481 6.242 1.00 0.00 O ATOM 725 CB LEU A 47 1.927 4.551 4.399 1.00 0.00 C ATOM 726 CG LEU A 47 2.350 3.918 3.064 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.100 4.916 1.932 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.840 3.556 3.079 1.00 0.00 C ATOM 0 H LEU A 47 1.252 4.818 6.879 1.00 0.00 H new ATOM 0 HA LEU A 47 2.609 2.722 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.840 4.552 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.250 5.591 4.433 1.00 0.00 H new ATOM 0 HG LEU A 47 1.766 3.010 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.399 4.472 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.040 5.169 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.683 5.820 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.116 3.110 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.432 4.457 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.033 2.844 3.881 1.00 0.00 H new ATOM 740 N GLN A 48 4.926 3.476 5.661 1.00 0.00 N ATOM 741 CA GLN A 48 6.307 3.872 5.872 1.00 0.00 C ATOM 742 C GLN A 48 7.095 3.640 4.591 1.00 0.00 C ATOM 743 O GLN A 48 6.990 2.583 3.973 1.00 0.00 O ATOM 744 CB GLN A 48 6.914 3.067 7.021 1.00 0.00 C ATOM 745 CG GLN A 48 6.888 3.899 8.301 1.00 0.00 C ATOM 746 CD GLN A 48 7.595 3.145 9.422 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.787 3.688 10.511 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.000 1.919 9.221 1.00 0.00 N ATOM 0 H GLN A 48 4.805 2.513 5.349 1.00 0.00 H new ATOM 0 HA GLN A 48 6.347 4.929 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.355 2.142 7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.939 2.786 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.376 4.859 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.858 4.111 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.840 1.471 8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.476 1.410 9.966 1.00 0.00 H new ATOM 757 N VAL A 49 7.871 4.635 4.184 1.00 0.00 N ATOM 758 CA VAL A 49 8.648 4.513 2.957 1.00 0.00 C ATOM 759 C VAL A 49 10.070 4.082 3.258 1.00 0.00 C ATOM 760 O VAL A 49 10.738 4.655 4.119 1.00 0.00 O ATOM 761 CB VAL A 49 8.692 5.845 2.206 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.237 5.612 0.795 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.282 6.437 2.123 1.00 0.00 C ATOM 0 H VAL A 49 7.979 5.522 4.676 1.00 0.00 H new ATOM 0 HA VAL A 49 8.160 3.759 2.339 1.00 0.00 H new ATOM 0 HB VAL A 49 9.341 6.541 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.270 6.559 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.242 5.195 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.588 4.916 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.317 7.386 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.627 5.745 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.897 6.602 3.129 1.00 0.00 H new ATOM 773 N ILE A 50 10.535 3.087 2.522 1.00 0.00 N ATOM 774 CA ILE A 50 11.886 2.603 2.695 1.00 0.00 C ATOM 775 C ILE A 50 12.659 2.855 1.418 1.00 0.00 C ATOM 776 O ILE A 50 12.252 2.418 0.341 1.00 0.00 O ATOM 777 CB ILE A 50 11.872 1.109 3.003 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.876 0.853 4.139 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.274 0.663 3.431 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.869 -0.631 4.519 1.00 0.00 C ATOM 0 H ILE A 50 9.997 2.603 1.803 1.00 0.00 H new ATOM 0 HA ILE A 50 12.359 3.125 3.527 1.00 0.00 H new ATOM 0 HB ILE A 50 11.576 0.546 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.142 1.456 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.877 1.161 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.265 -0.404 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.981 0.861 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.575 1.215 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.157 -0.796 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.580 -1.227 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.865 -0.927 4.847 1.00 0.00 H new ATOM 792 N ASN A 51 13.766 3.565 1.529 1.00 0.00 N ATOM 793 CA ASN A 51 14.557 3.862 0.361 1.00 0.00 C ATOM 794 C ASN A 51 15.468 2.681 0.052 1.00 0.00 C ATOM 795 O ASN A 51 16.380 2.373 0.819 1.00 0.00 O ATOM 796 CB ASN A 51 15.392 5.117 0.606 1.00 0.00 C ATOM 797 CG ASN A 51 14.477 6.315 0.837 1.00 0.00 C ATOM 798 OD1 ASN A 51 13.260 6.210 0.673 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.991 7.457 1.206 1.00 0.00 N ATOM 0 H ASN A 51 14.130 3.940 2.405 1.00 0.00 H new ATOM 0 HA ASN A 51 13.897 4.039 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.039 4.971 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.041 5.304 -0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.385 8.263 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.998 7.543 1.341 1.00 0.00 H new ATOM 806 N VAL A 52 15.210 2.013 -1.067 1.00 0.00 N ATOM 807 CA VAL A 52 16.016 0.859 -1.444 1.00 0.00 C ATOM 808 C VAL A 52 17.495 1.222 -1.406 1.00 0.00 C ATOM 809 O VAL A 52 18.361 0.349 -1.379 1.00 0.00 O ATOM 810 CB VAL A 52 15.631 0.381 -2.847 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.152 -0.013 -2.863 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.871 1.508 -3.856 1.00 0.00 C ATOM 0 H VAL A 52 14.461 2.246 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 52 15.829 0.053 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 52 16.240 -0.482 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.877 -0.353 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.982 -0.816 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.543 0.850 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.597 1.167 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.263 2.372 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.924 1.788 -3.845 1.00 0.00 H new ATOM 822 N ALA A 53 17.773 2.520 -1.390 1.00 0.00 N ATOM 823 CA ALA A 53 19.146 2.995 -1.339 1.00 0.00 C ATOM 824 C ALA A 53 19.722 2.809 0.059 1.00 0.00 C ATOM 825 O ALA A 53 20.935 2.889 0.255 1.00 0.00 O ATOM 826 CB ALA A 53 19.195 4.475 -1.721 1.00 0.00 C ATOM 0 H ALA A 53 17.069 3.257 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 53 19.742 2.416 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.226 4.827 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.806 4.603 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.588 5.051 -1.023 1.00 0.00 H new ATOM 832 N ASP A 54 18.844 2.572 1.033 1.00 0.00 N ATOM 833 CA ASP A 54 19.284 2.391 2.406 1.00 0.00 C ATOM 834 C ASP A 54 19.482 0.915 2.734 1.00 0.00 C ATOM 835 O ASP A 54 20.411 0.554 3.457 1.00 0.00 O ATOM 836 CB ASP A 54 18.257 2.995 3.367 1.00 0.00 C ATOM 837 CG ASP A 54 18.207 4.509 3.186 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.106 5.040 2.555 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.270 5.114 3.680 1.00 0.00 O ATOM 0 H ASP A 54 17.836 2.502 0.895 1.00 0.00 H new ATOM 0 HA ASP A 54 20.241 2.900 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.273 2.565 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.521 2.751 4.396 1.00 0.00 H new ATOM 844 N GLN A 55 18.603 0.061 2.212 1.00 0.00 N ATOM 845 CA GLN A 55 18.708 -1.366 2.482 1.00 0.00 C ATOM 846 C GLN A 55 18.252 -2.198 1.285 1.00 0.00 C ATOM 847 O GLN A 55 17.205 -2.841 1.317 1.00 0.00 O ATOM 848 CB GLN A 55 17.880 -1.709 3.723 1.00 0.00 C ATOM 849 CG GLN A 55 16.382 -1.650 3.401 1.00 0.00 C ATOM 850 CD GLN A 55 16.115 -0.668 2.266 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.908 -1.078 1.125 1.00 0.00 O ATOM 852 NE2 GLN A 55 16.102 0.615 2.513 1.00 0.00 N ATOM 0 H GLN A 55 17.824 0.329 1.610 1.00 0.00 H new ATOM 0 HA GLN A 55 19.755 -1.609 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.143 -2.705 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.113 -1.011 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.025 -2.642 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.825 -1.348 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.274 0.954 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.920 1.278 1.759 1.00 0.00 H new ATOM 861 N PRO A 56 19.031 -2.205 0.241 1.00 0.00 N ATOM 862 CA PRO A 56 18.715 -2.982 -0.987 1.00 0.00 C ATOM 863 C PRO A 56 18.789 -4.484 -0.735 1.00 0.00 C ATOM 864 O PRO A 56 18.380 -5.292 -1.571 1.00 0.00 O ATOM 865 CB PRO A 56 19.768 -2.548 -2.014 1.00 0.00 C ATOM 866 CG PRO A 56 20.653 -1.532 -1.355 1.00 0.00 C ATOM 867 CD PRO A 56 20.298 -1.477 0.131 1.00 0.00 C ATOM 0 HA PRO A 56 17.699 -2.789 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.352 -3.405 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.290 -2.124 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.701 -1.800 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.515 -0.553 -1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.074 -1.940 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.194 -0.448 0.475 1.00 0.00 H new ATOM 875 N GLN A 57 19.325 -4.848 0.423 1.00 0.00 N ATOM 876 CA GLN A 57 19.471 -6.252 0.783 1.00 0.00 C ATOM 877 C GLN A 57 18.130 -6.899 1.101 1.00 0.00 C ATOM 878 O GLN A 57 17.861 -8.018 0.662 1.00 0.00 O ATOM 879 CB GLN A 57 20.392 -6.378 1.999 1.00 0.00 C ATOM 880 CG GLN A 57 20.276 -7.788 2.589 1.00 0.00 C ATOM 881 CD GLN A 57 21.253 -7.944 3.751 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.235 -8.960 4.446 1.00 0.00 O ATOM 883 NE2 GLN A 57 22.113 -6.995 4.001 1.00 0.00 N ATOM 0 H GLN A 57 19.665 -4.193 1.127 1.00 0.00 H new ATOM 0 HA GLN A 57 19.901 -6.770 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.423 -6.178 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.123 -5.635 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.257 -7.966 2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.488 -8.532 1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 57 22.126 -6.154 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.772 -7.094 4.773 1.00 0.00 H new ATOM 892 N LEU A 58 17.289 -6.212 1.864 1.00 0.00 N ATOM 893 CA LEU A 58 16.000 -6.777 2.211 1.00 0.00 C ATOM 894 C LEU A 58 15.111 -6.785 0.974 1.00 0.00 C ATOM 895 O LEU A 58 14.217 -7.622 0.837 1.00 0.00 O ATOM 896 CB LEU A 58 15.357 -5.980 3.354 1.00 0.00 C ATOM 897 CG LEU A 58 14.456 -4.878 2.797 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.170 -5.508 2.263 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.109 -3.890 3.916 1.00 0.00 C ATOM 0 H LEU A 58 17.474 -5.284 2.245 1.00 0.00 H new ATOM 0 HA LEU A 58 16.129 -7.802 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.775 -6.648 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.133 -5.541 3.981 1.00 0.00 H new ATOM 0 HG LEU A 58 14.972 -4.352 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.521 -4.728 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.414 -6.218 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.657 -6.028 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.466 -3.103 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.589 -4.415 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.025 -3.448 4.308 1.00 0.00 H new ATOM 911 N VAL A 59 15.386 -5.860 0.060 1.00 0.00 N ATOM 912 CA VAL A 59 14.631 -5.774 -1.183 1.00 0.00 C ATOM 913 C VAL A 59 14.823 -7.062 -1.978 1.00 0.00 C ATOM 914 O VAL A 59 13.866 -7.634 -2.496 1.00 0.00 O ATOM 915 CB VAL A 59 15.123 -4.580 -2.000 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.225 -4.396 -3.221 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.078 -3.318 -1.134 1.00 0.00 C ATOM 0 H VAL A 59 16.124 -5.162 0.157 1.00 0.00 H new ATOM 0 HA VAL A 59 13.572 -5.640 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 59 16.147 -4.758 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.575 -3.545 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.258 -5.296 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.200 -4.216 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.429 -2.465 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.054 -3.138 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.719 -3.452 -0.263 1.00 0.00 H new ATOM 927 N GLU A 60 16.068 -7.525 -2.049 1.00 0.00 N ATOM 928 CA GLU A 60 16.372 -8.759 -2.764 1.00 0.00 C ATOM 929 C GLU A 60 15.768 -9.955 -2.039 1.00 0.00 C ATOM 930 O GLU A 60 15.386 -10.944 -2.665 1.00 0.00 O ATOM 931 CB GLU A 60 17.884 -8.941 -2.883 1.00 0.00 C ATOM 932 CG GLU A 60 18.452 -7.870 -3.813 1.00 0.00 C ATOM 933 CD GLU A 60 19.950 -8.081 -4.004 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.521 -8.847 -3.244 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.503 -7.480 -4.910 1.00 0.00 O ATOM 0 H GLU A 60 16.875 -7.069 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 60 15.939 -8.694 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.349 -8.868 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.113 -9.934 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.946 -7.909 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.267 -6.880 -3.396 1.00 0.00 H new ATOM 942 N TYR A 61 15.678 -9.857 -0.717 1.00 0.00 N ATOM 943 CA TYR A 61 15.111 -10.942 0.073 1.00 0.00 C ATOM 944 C TYR A 61 13.734 -11.305 -0.464 1.00 0.00 C ATOM 945 O TYR A 61 13.397 -12.481 -0.600 1.00 0.00 O ATOM 946 CB TYR A 61 14.995 -10.524 1.540 1.00 0.00 C ATOM 947 CG TYR A 61 14.496 -11.693 2.357 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.407 -12.616 2.884 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.124 -11.855 2.585 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.946 -13.699 3.641 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.663 -12.939 3.341 1.00 0.00 C ATOM 952 CZ TYR A 61 13.575 -13.861 3.869 1.00 0.00 C ATOM 953 OH TYR A 61 13.121 -14.931 4.612 1.00 0.00 O ATOM 0 H TYR A 61 15.986 -9.049 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 61 15.768 -11.808 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 61 15.964 -10.193 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.311 -9.681 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.465 -12.492 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.421 -11.143 2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.649 -14.410 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.605 -13.064 3.517 1.00 0.00 H new ATOM 0 HH TYR A 61 12.144 -14.894 4.676 1.00 0.00 H new ATOM 963 N TYR A 62 12.953 -10.282 -0.787 1.00 0.00 N ATOM 964 CA TYR A 62 11.622 -10.483 -1.334 1.00 0.00 C ATOM 965 C TYR A 62 11.710 -10.688 -2.837 1.00 0.00 C ATOM 966 O TYR A 62 10.710 -10.583 -3.548 1.00 0.00 O ATOM 967 CB TYR A 62 10.756 -9.255 -1.059 1.00 0.00 C ATOM 968 CG TYR A 62 10.447 -9.148 0.413 1.00 0.00 C ATOM 969 CD1 TYR A 62 9.625 -10.098 1.027 1.00 0.00 C ATOM 970 CD2 TYR A 62 10.976 -8.090 1.158 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.333 -9.990 2.392 1.00 0.00 C ATOM 972 CE2 TYR A 62 10.684 -7.981 2.520 1.00 0.00 C ATOM 973 CZ TYR A 62 9.863 -8.932 3.138 1.00 0.00 C ATOM 974 OH TYR A 62 9.574 -8.821 4.481 1.00 0.00 O ATOM 0 H TYR A 62 13.221 -9.304 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 62 11.179 -11.361 -0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.272 -8.356 -1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.829 -9.322 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.216 -10.914 0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.610 -7.357 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.699 -10.723 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.092 -7.163 3.096 1.00 0.00 H new ATOM 0 HH TYR A 62 10.023 -8.031 4.848 1.00 0.00 H new ATOM 984 N ARG A 63 12.917 -10.945 -3.323 1.00 0.00 N ATOM 985 CA ARG A 63 13.117 -11.116 -4.749 1.00 0.00 C ATOM 986 C ARG A 63 12.667 -9.844 -5.449 1.00 0.00 C ATOM 987 O ARG A 63 12.573 -9.782 -6.672 1.00 0.00 O ATOM 988 CB ARG A 63 12.318 -12.315 -5.254 1.00 0.00 C ATOM 989 CG ARG A 63 12.779 -13.576 -4.520 1.00 0.00 C ATOM 990 CD ARG A 63 13.666 -14.411 -5.445 1.00 0.00 C ATOM 991 NE ARG A 63 14.707 -13.575 -6.032 1.00 0.00 N ATOM 992 CZ ARG A 63 15.988 -13.760 -5.728 1.00 0.00 C ATOM 993 NH1 ARG A 63 16.414 -13.518 -4.519 1.00 0.00 N ATOM 994 NH2 ARG A 63 16.820 -14.187 -6.640 1.00 0.00 N ATOM 0 H ARG A 63 13.760 -11.038 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 63 14.170 -11.302 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.253 -12.153 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.459 -12.434 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.329 -13.304 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.916 -14.160 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.119 -15.230 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.062 -14.860 -6.233 1.00 0.00 H new ATOM 0 HE ARG A 63 14.448 -12.837 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.764 -13.187 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.397 -13.660 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.487 -14.378 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.803 -14.329 -6.407 1.00 0.00 H new ATOM 1008 N LEU A 64 12.392 -8.831 -4.631 1.00 0.00 N ATOM 1009 CA LEU A 64 11.952 -7.531 -5.117 1.00 0.00 C ATOM 1010 C LEU A 64 13.085 -6.849 -5.887 1.00 0.00 C ATOM 1011 O LEU A 64 14.214 -6.774 -5.405 1.00 0.00 O ATOM 1012 CB LEU A 64 11.531 -6.676 -3.909 1.00 0.00 C ATOM 1013 CG LEU A 64 10.650 -5.503 -4.335 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.465 -4.540 -5.184 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.455 -6.016 -5.136 1.00 0.00 C ATOM 0 H LEU A 64 12.468 -8.890 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 64 11.106 -7.650 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.992 -7.296 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.419 -6.300 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 64 10.286 -4.984 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.837 -3.703 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.309 -4.168 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.833 -5.058 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.831 -5.175 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.810 -6.540 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.871 -6.700 -4.520 1.00 0.00 H new ATOM 1027 N VAL A 65 12.781 -6.365 -7.085 1.00 0.00 N ATOM 1028 CA VAL A 65 13.791 -5.697 -7.908 1.00 0.00 C ATOM 1029 C VAL A 65 13.180 -4.557 -8.722 1.00 0.00 C ATOM 1030 O VAL A 65 13.898 -3.819 -9.398 1.00 0.00 O ATOM 1031 CB VAL A 65 14.443 -6.696 -8.865 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.731 -6.093 -9.430 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.771 -7.986 -8.113 1.00 0.00 C ATOM 0 H VAL A 65 11.855 -6.420 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 65 14.542 -5.286 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 65 13.756 -6.918 -9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.197 -6.804 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.497 -5.174 -9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.418 -5.871 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.236 -8.697 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.458 -7.766 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.854 -8.416 -7.710 1.00 0.00 H new ATOM 1043 N VAL A 66 11.860 -4.415 -8.661 1.00 0.00 N ATOM 1044 CA VAL A 66 11.183 -3.369 -9.401 1.00 0.00 C ATOM 1045 C VAL A 66 10.745 -2.254 -8.462 1.00 0.00 C ATOM 1046 O VAL A 66 10.307 -2.508 -7.340 1.00 0.00 O ATOM 1047 CB VAL A 66 9.960 -3.955 -10.099 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.402 -4.887 -11.229 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.130 -4.741 -9.083 1.00 0.00 C ATOM 0 H VAL A 66 11.244 -5.011 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 66 11.870 -2.957 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 66 9.361 -3.147 -10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.523 -5.302 -11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.994 -4.326 -11.952 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.004 -5.698 -10.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.254 -5.162 -9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.734 -5.547 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.810 -4.075 -8.282 1.00 0.00 H new ATOM 1059 N THR A 67 10.861 -1.017 -8.927 1.00 0.00 N ATOM 1060 CA THR A 67 10.466 0.120 -8.113 1.00 0.00 C ATOM 1061 C THR A 67 9.713 1.150 -8.955 1.00 0.00 C ATOM 1062 O THR A 67 9.964 1.284 -10.153 1.00 0.00 O ATOM 1063 CB THR A 67 11.703 0.760 -7.483 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.700 0.939 -8.478 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.239 -0.150 -6.374 1.00 0.00 C ATOM 0 H THR A 67 11.221 -0.779 -9.851 1.00 0.00 H new ATOM 0 HA THR A 67 9.801 -0.230 -7.323 1.00 0.00 H new ATOM 0 HB THR A 67 11.438 1.728 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.493 1.351 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.121 0.306 -5.924 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.472 -0.285 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.506 -1.119 -6.796 1.00 0.00 H new ATOM 1073 N PRO A 68 8.795 1.869 -8.359 1.00 0.00 N ATOM 1074 CA PRO A 68 8.461 1.737 -6.914 1.00 0.00 C ATOM 1075 C PRO A 68 7.693 0.452 -6.621 1.00 0.00 C ATOM 1076 O PRO A 68 7.102 -0.148 -7.520 1.00 0.00 O ATOM 1077 CB PRO A 68 7.599 2.965 -6.595 1.00 0.00 C ATOM 1078 CG PRO A 68 7.471 3.757 -7.863 1.00 0.00 C ATOM 1079 CD PRO A 68 7.969 2.885 -9.013 1.00 0.00 C ATOM 0 HA PRO A 68 9.362 1.687 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.618 2.662 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.060 3.566 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.434 4.049 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.055 4.675 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.140 2.434 -9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.546 3.466 -9.732 1.00 0.00 H new ATOM 1087 N ALA A 69 7.713 0.032 -5.361 1.00 0.00 N ATOM 1088 CA ALA A 69 7.027 -1.186 -4.963 1.00 0.00 C ATOM 1089 C ALA A 69 6.418 -1.005 -3.577 1.00 0.00 C ATOM 1090 O ALA A 69 6.913 -0.220 -2.769 1.00 0.00 O ATOM 1091 CB ALA A 69 8.016 -2.355 -4.938 1.00 0.00 C ATOM 0 H ALA A 69 8.195 0.516 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 69 6.235 -1.399 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.496 -3.265 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.444 -2.491 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.813 -2.142 -4.226 1.00 0.00 H new ATOM 1097 N LEU A 70 5.338 -1.726 -3.315 1.00 0.00 N ATOM 1098 CA LEU A 70 4.663 -1.628 -2.031 1.00 0.00 C ATOM 1099 C LEU A 70 4.538 -3.013 -1.401 1.00 0.00 C ATOM 1100 O LEU A 70 4.118 -3.965 -2.059 1.00 0.00 O ATOM 1101 CB LEU A 70 3.288 -0.988 -2.243 1.00 0.00 C ATOM 1102 CG LEU A 70 2.751 -0.427 -0.925 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.796 0.727 -1.221 1.00 0.00 C ATOM 1104 CD2 LEU A 70 1.999 -1.512 -0.157 1.00 0.00 C ATOM 0 H LEU A 70 4.913 -2.382 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 70 5.241 -1.004 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.361 -0.190 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.593 -1.728 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 70 3.588 -0.076 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.411 1.130 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.328 1.510 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.966 0.366 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.622 -1.100 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.164 -1.871 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.674 -2.341 0.057 1.00 0.00 H new ATOM 1116 N VAL A 71 4.935 -3.129 -0.133 1.00 0.00 N ATOM 1117 CA VAL A 71 4.890 -4.418 0.549 1.00 0.00 C ATOM 1118 C VAL A 71 4.143 -4.340 1.879 1.00 0.00 C ATOM 1119 O VAL A 71 4.461 -3.520 2.738 1.00 0.00 O ATOM 1120 CB VAL A 71 6.323 -4.901 0.799 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.294 -6.291 1.435 1.00 0.00 C ATOM 1122 CG2 VAL A 71 7.084 -4.962 -0.533 1.00 0.00 C ATOM 0 H VAL A 71 5.286 -2.357 0.434 1.00 0.00 H new ATOM 0 HA VAL A 71 4.352 -5.117 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 71 6.825 -4.207 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.314 -6.632 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.757 -6.246 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.790 -6.987 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.103 -5.306 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.581 -5.654 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.109 -3.970 -0.983 1.00 0.00 H new ATOM 1132 N LYS A 72 3.164 -5.229 2.044 1.00 0.00 N ATOM 1133 CA LYS A 72 2.387 -5.295 3.279 1.00 0.00 C ATOM 1134 C LYS A 72 3.001 -6.321 4.219 1.00 0.00 C ATOM 1135 O LYS A 72 3.242 -7.460 3.823 1.00 0.00 O ATOM 1136 CB LYS A 72 0.939 -5.693 2.978 1.00 0.00 C ATOM 1137 CG LYS A 72 0.102 -5.582 4.254 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.121 -6.490 4.137 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.177 -6.075 5.161 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.647 -7.283 5.897 1.00 0.00 N ATOM 0 H LYS A 72 2.891 -5.913 1.338 1.00 0.00 H new ATOM 0 HA LYS A 72 2.398 -4.311 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.527 -5.047 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.903 -6.713 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.699 -5.867 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.211 -4.549 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.535 -6.430 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.831 -7.528 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.759 -5.349 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.015 -5.590 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.636 -7.148 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.580 -8.115 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.054 -7.429 6.739 1.00 0.00 H new ATOM 1154 N ILE A 73 3.254 -5.924 5.460 1.00 0.00 N ATOM 1155 CA ILE A 73 3.845 -6.844 6.425 1.00 0.00 C ATOM 1156 C ILE A 73 2.790 -7.433 7.362 1.00 0.00 C ATOM 1157 O ILE A 73 3.065 -8.406 8.066 1.00 0.00 O ATOM 1158 CB ILE A 73 4.943 -6.146 7.237 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.648 -4.645 7.333 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.297 -6.369 6.558 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.287 -3.915 6.150 1.00 0.00 C ATOM 0 H ILE A 73 3.063 -4.988 5.818 1.00 0.00 H new ATOM 0 HA ILE A 73 4.289 -7.665 5.862 1.00 0.00 H new ATOM 0 HB ILE A 73 4.970 -6.564 8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.571 -4.476 7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.037 -4.248 8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.079 -5.874 7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.506 -7.437 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.271 -5.955 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.074 -2.848 6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.366 -4.072 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.877 -4.304 5.218 1.00 0.00 H new ATOM 1173 N GLY A 74 1.583 -6.866 7.371 1.00 0.00 N ATOM 1174 CA GLY A 74 0.532 -7.397 8.231 1.00 0.00 C ATOM 1175 C GLY A 74 -0.298 -6.283 8.861 1.00 0.00 C ATOM 1176 O GLY A 74 -0.143 -5.111 8.520 1.00 0.00 O ATOM 0 H GLY A 74 1.315 -6.059 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.118 -8.051 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.978 -8.007 9.016 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.175 -6.637 9.770 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.372 -8.053 10.190 1.00 0.00 C ATOM 1182 C PRO A 75 -1.855 -8.927 9.037 1.00 0.00 C ATOM 1183 O PRO A 75 -2.274 -8.422 7.997 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.427 -8.005 11.301 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.814 -6.572 11.501 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.063 -5.713 10.482 1.00 0.00 C ATOM 0 HA PRO A 75 -0.433 -8.493 10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.297 -8.601 11.028 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.029 -8.426 12.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.890 -6.451 11.377 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.572 -6.253 12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.754 -5.225 9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.495 -4.925 10.976 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.787 -10.238 9.228 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.213 -11.168 8.190 1.00 0.00 C ATOM 1196 C GLY A 76 -1.036 -11.586 7.317 1.00 0.00 C ATOM 1197 O GLY A 76 0.119 -11.505 7.736 1.00 0.00 O ATOM 0 H GLY A 76 -1.445 -10.678 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.662 -12.049 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.982 -10.703 7.573 1.00 0.00 H new ATOM 1201 N SER A 77 -1.334 -12.040 6.105 1.00 0.00 N ATOM 1202 CA SER A 77 -0.287 -12.477 5.190 1.00 0.00 C ATOM 1203 C SER A 77 0.445 -11.295 4.571 1.00 0.00 C ATOM 1204 O SER A 77 -0.086 -10.188 4.478 1.00 0.00 O ATOM 1205 CB SER A 77 -0.882 -13.340 4.080 1.00 0.00 C ATOM 1206 OG SER A 77 0.012 -13.365 2.976 1.00 0.00 O ATOM 0 H SER A 77 -2.282 -12.115 5.736 1.00 0.00 H new ATOM 0 HA SER A 77 0.429 -13.061 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.057 -14.352 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.848 -12.941 3.772 1.00 0.00 H new ATOM 0 HG SER A 77 -0.366 -13.919 2.262 1.00 0.00 H new ATOM 1212 N ARG A 78 1.671 -11.559 4.139 1.00 0.00 N ATOM 1213 CA ARG A 78 2.501 -10.538 3.509 1.00 0.00 C ATOM 1214 C ARG A 78 2.160 -10.439 2.024 1.00 0.00 C ATOM 1215 O ARG A 78 1.806 -11.439 1.398 1.00 0.00 O ATOM 1216 CB ARG A 78 3.975 -10.909 3.672 1.00 0.00 C ATOM 1217 CG ARG A 78 4.850 -9.708 3.312 1.00 0.00 C ATOM 1218 CD ARG A 78 6.304 -10.154 3.151 1.00 0.00 C ATOM 1219 NE ARG A 78 6.511 -10.746 1.833 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.115 -11.985 1.567 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.553 -12.980 2.289 1.00 0.00 N ATOM 1222 NH2 ARG A 78 5.284 -12.207 0.585 1.00 0.00 N ATOM 0 H ARG A 78 2.115 -12.474 4.213 1.00 0.00 H new ATOM 0 HA ARG A 78 2.312 -9.576 3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.171 -11.219 4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.220 -11.756 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.495 -9.253 2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.777 -8.948 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.970 -9.301 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.557 -10.878 3.926 1.00 0.00 H new ATOM 0 HE ARG A 78 6.968 -10.198 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.200 -12.806 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.248 -13.932 2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.939 -11.429 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.979 -13.159 0.380 1.00 0.00 H new ATOM 1236 N GLN A 79 2.264 -9.240 1.459 1.00 0.00 N ATOM 1237 CA GLN A 79 1.956 -9.057 0.042 1.00 0.00 C ATOM 1238 C GLN A 79 2.993 -8.173 -0.634 1.00 0.00 C ATOM 1239 O GLN A 79 3.665 -7.373 0.016 1.00 0.00 O ATOM 1240 CB GLN A 79 0.577 -8.416 -0.125 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.506 -9.365 0.386 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.877 -8.743 0.157 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.013 -7.520 0.166 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.905 -9.515 -0.064 1.00 0.00 N ATOM 0 H GLN A 79 2.554 -8.394 1.949 1.00 0.00 H new ATOM 0 HA GLN A 79 1.966 -10.041 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.536 -7.475 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.401 -8.181 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.439 -10.322 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.358 -9.564 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.790 -10.528 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.824 -9.105 -0.230 1.00 0.00 H new ATOM 1253 N VAL A 80 3.109 -8.321 -1.950 1.00 0.00 N ATOM 1254 CA VAL A 80 4.060 -7.527 -2.714 1.00 0.00 C ATOM 1255 C VAL A 80 3.374 -6.888 -3.917 1.00 0.00 C ATOM 1256 O VAL A 80 2.941 -7.582 -4.837 1.00 0.00 O ATOM 1257 CB VAL A 80 5.206 -8.418 -3.200 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.251 -7.562 -3.917 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.855 -9.115 -2.002 1.00 0.00 C ATOM 0 H VAL A 80 2.560 -8.978 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 80 4.453 -6.741 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 80 4.815 -9.167 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.067 -8.197 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.791 -7.065 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.642 -6.812 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.671 -9.749 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.245 -8.366 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.112 -9.727 -1.490 1.00 0.00 H new ATOM 1269 N LEU A 81 3.289 -5.562 -3.911 1.00 0.00 N ATOM 1270 CA LEU A 81 2.668 -4.845 -5.018 1.00 0.00 C ATOM 1271 C LEU A 81 3.686 -3.919 -5.661 1.00 0.00 C ATOM 1272 O LEU A 81 4.270 -3.075 -4.988 1.00 0.00 O ATOM 1273 CB LEU A 81 1.489 -4.019 -4.513 1.00 0.00 C ATOM 1274 CG LEU A 81 0.713 -4.812 -3.465 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.335 -3.904 -2.829 1.00 0.00 C ATOM 1276 CD2 LEU A 81 0.008 -5.997 -4.123 1.00 0.00 C ATOM 0 H LEU A 81 3.639 -4.967 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 81 2.313 -5.569 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.846 -3.083 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.833 -3.758 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 81 1.405 -5.179 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.894 -4.463 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.158 -3.055 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.019 -3.544 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.543 -6.557 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.684 -5.633 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.748 -6.647 -4.589 1.00 0.00 H new ATOM 1288 N SER A 82 3.901 -4.068 -6.959 1.00 0.00 N ATOM 1289 CA SER A 82 4.864 -3.217 -7.642 1.00 0.00 C ATOM 1290 C SER A 82 4.573 -3.129 -9.129 1.00 0.00 C ATOM 1291 O SER A 82 3.751 -3.872 -9.666 1.00 0.00 O ATOM 1292 CB SER A 82 6.278 -3.754 -7.440 1.00 0.00 C ATOM 1293 OG SER A 82 7.194 -2.972 -8.194 1.00 0.00 O ATOM 0 H SER A 82 3.433 -4.755 -7.551 1.00 0.00 H new ATOM 0 HA SER A 82 4.781 -2.219 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.542 -3.724 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.331 -4.797 -7.752 1.00 0.00 H new ATOM 0 HG SER A 82 7.164 -2.043 -7.883 1.00 0.00 H new ATOM 1299 N GLY A 83 5.272 -2.216 -9.784 1.00 0.00 N ATOM 1300 CA GLY A 83 5.111 -2.026 -11.222 1.00 0.00 C ATOM 1301 C GLY A 83 4.030 -0.997 -11.540 1.00 0.00 C ATOM 1302 O GLY A 83 3.019 -1.319 -12.163 1.00 0.00 O ATOM 0 H GLY A 83 5.954 -1.596 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.058 -1.704 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.855 -2.978 -11.688 1.00 0.00 H new ATOM 1306 N ILE A 84 4.267 0.239 -11.115 1.00 0.00 N ATOM 1307 CA ILE A 84 3.331 1.340 -11.355 1.00 0.00 C ATOM 1308 C ILE A 84 1.872 0.915 -11.166 1.00 0.00 C ATOM 1309 O ILE A 84 0.958 1.701 -11.417 1.00 0.00 O ATOM 1310 CB ILE A 84 3.536 1.891 -12.772 1.00 0.00 C ATOM 1311 CG1 ILE A 84 2.986 0.905 -13.811 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.030 2.086 -13.019 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.060 1.537 -15.202 1.00 0.00 C ATOM 0 H ILE A 84 5.104 0.508 -10.599 1.00 0.00 H new ATOM 0 HA ILE A 84 3.540 2.116 -10.618 1.00 0.00 H new ATOM 0 HB ILE A 84 3.008 2.840 -12.864 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.561 -0.021 -13.789 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.955 0.646 -13.572 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.184 2.478 -14.024 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.430 2.790 -12.290 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.543 1.130 -12.919 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.669 0.837 -15.941 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.466 2.451 -15.218 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.097 1.774 -15.439 1.00 0.00 H new ATOM 1325 N ASP A 85 1.654 -0.317 -10.721 1.00 0.00 N ATOM 1326 CA ASP A 85 0.296 -0.808 -10.503 1.00 0.00 C ATOM 1327 C ASP A 85 -0.023 -0.857 -9.012 1.00 0.00 C ATOM 1328 O ASP A 85 -1.044 -1.409 -8.602 1.00 0.00 O ATOM 1329 CB ASP A 85 0.144 -2.206 -11.105 1.00 0.00 C ATOM 1330 CG ASP A 85 1.033 -3.194 -10.358 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.501 -2.846 -9.286 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.236 -4.283 -10.869 1.00 0.00 O ATOM 0 H ASP A 85 2.390 -0.989 -10.506 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.400 -0.125 -10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.897 -2.525 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.414 -2.188 -12.161 1.00 0.00 H new ATOM 1337 N LEU A 86 0.867 -0.290 -8.208 1.00 0.00 N ATOM 1338 CA LEU A 86 0.690 -0.284 -6.763 1.00 0.00 C ATOM 1339 C LEU A 86 -0.709 0.188 -6.371 1.00 0.00 C ATOM 1340 O LEU A 86 -1.370 -0.437 -5.542 1.00 0.00 O ATOM 1341 CB LEU A 86 1.734 0.633 -6.123 1.00 0.00 C ATOM 1342 CG LEU A 86 3.122 0.291 -6.667 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.507 1.303 -7.749 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.144 0.347 -5.528 1.00 0.00 C ATOM 0 H LEU A 86 1.717 0.171 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 86 0.816 -1.305 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.496 1.675 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.719 0.517 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 86 3.110 -0.712 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.496 1.061 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.779 1.264 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.521 2.305 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.134 0.103 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.158 1.350 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.869 -0.372 -4.757 1.00 0.00 H new ATOM 1356 N THR A 87 -1.154 1.297 -6.957 1.00 0.00 N ATOM 1357 CA THR A 87 -2.474 1.834 -6.634 1.00 0.00 C ATOM 1358 C THR A 87 -3.585 0.915 -7.125 1.00 0.00 C ATOM 1359 O THR A 87 -4.606 0.758 -6.455 1.00 0.00 O ATOM 1360 CB THR A 87 -2.652 3.226 -7.250 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.546 3.131 -8.662 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.577 4.177 -6.716 1.00 0.00 C ATOM 0 H THR A 87 -0.630 1.834 -7.647 1.00 0.00 H new ATOM 0 HA THR A 87 -2.540 1.906 -5.548 1.00 0.00 H new ATOM 0 HB THR A 87 -3.634 3.616 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.661 4.019 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.711 5.164 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.663 4.251 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.590 3.794 -6.976 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.390 0.304 -8.286 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.395 -0.595 -8.824 1.00 0.00 C ATOM 1372 C ASP A 88 -4.444 -1.865 -7.986 1.00 0.00 C ATOM 1373 O ASP A 88 -5.515 -2.336 -7.603 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.048 -0.947 -10.270 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.140 0.295 -11.149 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.745 1.261 -10.714 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.602 0.262 -12.243 1.00 0.00 O ATOM 0 H ASP A 88 -2.557 0.413 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.369 -0.106 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.042 -1.363 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.729 -1.714 -10.639 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.267 -2.403 -7.697 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.168 -3.609 -6.895 1.00 0.00 C ATOM 1384 C GLN A 89 -3.588 -3.327 -5.454 1.00 0.00 C ATOM 1385 O GLN A 89 -4.407 -4.047 -4.890 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.729 -4.121 -6.926 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.729 -5.639 -7.107 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.296 -6.160 -7.145 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.068 -7.364 -7.015 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.690 -5.323 -7.326 1.00 0.00 N ATOM 0 H GLN A 89 -2.372 -2.023 -8.006 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.835 -4.366 -7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.181 -3.647 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.218 -3.855 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.275 -6.111 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.245 -5.903 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.500 -4.327 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.650 -5.666 -7.360 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.031 -2.269 -4.865 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.373 -1.919 -3.490 1.00 0.00 C ATOM 1401 C LEU A 90 -4.879 -1.746 -3.335 1.00 0.00 C ATOM 1402 O LEU A 90 -5.480 -2.275 -2.400 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.667 -0.627 -3.085 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.027 -0.289 -1.638 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.369 -1.303 -0.699 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.529 1.120 -1.310 1.00 0.00 C ATOM 0 H LEU A 90 -2.353 -1.650 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.044 -2.731 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.588 -0.741 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.965 0.187 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.109 -0.330 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.625 -1.063 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.726 -2.305 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.287 -1.264 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.784 1.365 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.447 1.162 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.001 1.838 -1.981 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.482 -1.006 -4.257 1.00 0.00 N ATOM 1419 CA ALA A 91 -6.922 -0.776 -4.210 1.00 0.00 C ATOM 1420 C ALA A 91 -7.661 -2.107 -4.218 1.00 0.00 C ATOM 1421 O ALA A 91 -8.697 -2.259 -3.572 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.363 0.061 -5.413 1.00 0.00 C ATOM 0 H ALA A 91 -5.003 -0.559 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.160 -0.236 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.439 0.226 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.848 1.021 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.116 -0.467 -6.334 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.115 -3.067 -4.958 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.714 -4.390 -5.050 1.00 0.00 C ATOM 1430 C ASN A 92 -7.340 -5.239 -3.840 1.00 0.00 C ATOM 1431 O ASN A 92 -8.127 -6.065 -3.380 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.235 -5.083 -6.323 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.974 -4.525 -7.533 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.397 -4.401 -8.613 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -9.224 -4.177 -7.414 1.00 0.00 N ATOM 0 H ASN A 92 -6.260 -2.952 -5.501 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.798 -4.277 -5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.162 -4.937 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.404 -6.157 -6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.727 -3.801 -8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.699 -4.281 -6.518 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.125 -5.038 -3.345 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.635 -5.796 -2.203 1.00 0.00 C ATOM 1444 C GLN A 93 -6.232 -5.289 -0.900 1.00 0.00 C ATOM 1445 O GLN A 93 -6.502 -6.069 0.014 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.115 -5.689 -2.128 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.491 -6.402 -3.325 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.705 -7.901 -3.204 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.364 -8.499 -2.185 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.258 -8.547 -4.190 1.00 0.00 N ATOM 0 H GLN A 93 -5.462 -4.357 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.935 -6.835 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.814 -4.641 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.755 -6.132 -1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.937 -6.036 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.425 -6.181 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.539 -8.047 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.410 -9.553 -4.119 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.429 -3.983 -0.810 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.984 -3.404 0.399 1.00 0.00 C ATOM 1461 C LEU A 94 -8.275 -4.127 0.793 1.00 0.00 C ATOM 1462 O LEU A 94 -8.355 -4.706 1.876 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.224 -1.908 0.191 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.196 -1.393 1.251 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.656 -1.728 2.642 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.345 0.122 1.114 1.00 0.00 C ATOM 0 H LEU A 94 -6.216 -3.313 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.274 -3.527 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.281 -1.366 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.628 -1.729 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.168 -1.867 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.349 -1.361 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.550 -2.808 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.684 -1.254 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.039 0.489 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.374 0.597 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.729 0.362 0.123 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.270 -4.139 -0.061 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.548 -4.846 0.221 1.00 0.00 C ATOM 1480 C PRO A 95 -10.303 -6.282 0.686 1.00 0.00 C ATOM 1481 O PRO A 95 -10.988 -6.783 1.578 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.292 -4.862 -1.124 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.405 -4.192 -2.128 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.298 -3.474 -1.365 1.00 0.00 C ATOM 0 HA PRO A 95 -11.107 -4.351 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.514 -5.885 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.245 -4.339 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.982 -4.926 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.975 -3.484 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.340 -3.562 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.510 -2.409 -1.265 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.327 -6.937 0.060 1.00 0.00 N ATOM 1493 CA GLN A 96 -8.997 -8.320 0.397 1.00 0.00 C ATOM 1494 C GLN A 96 -8.551 -8.440 1.847 1.00 0.00 C ATOM 1495 O GLN A 96 -8.881 -9.409 2.532 1.00 0.00 O ATOM 1496 CB GLN A 96 -7.873 -8.819 -0.514 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.353 -8.820 -1.964 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.204 -9.193 -2.895 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.045 -9.202 -2.478 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -7.457 -9.499 -4.137 1.00 0.00 N ATOM 0 H GLN A 96 -8.753 -6.534 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.893 -8.925 0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.996 -8.180 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.571 -9.824 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.173 -9.528 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.741 -7.836 -2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.418 -9.490 -4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.694 -9.747 -4.767 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.792 -7.455 2.308 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.296 -7.468 3.678 1.00 0.00 C ATOM 1511 C TRP A 97 -8.452 -7.348 4.661 1.00 0.00 C ATOM 1512 O TRP A 97 -8.530 -8.090 5.641 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.338 -6.298 3.889 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.279 -6.319 2.836 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.010 -7.363 2.018 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.352 -5.260 2.468 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.968 -7.013 1.176 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.528 -5.725 1.416 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.146 -3.955 2.947 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.535 -4.918 0.857 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.149 -3.140 2.387 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.343 -3.622 1.345 1.00 0.00 C ATOM 0 H TRP A 97 -7.508 -6.643 1.759 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.775 -8.410 3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.885 -5.356 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.883 -6.362 4.877 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.524 -8.313 2.021 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.574 -7.630 0.466 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.759 -3.576 3.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.919 -5.293 0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.002 -2.137 2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.575 -2.993 0.920 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.347 -6.407 4.389 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.499 -6.189 5.246 1.00 0.00 C ATOM 1535 C LEU A 98 -11.431 -7.394 5.190 1.00 0.00 C ATOM 1536 O LEU A 98 -12.094 -7.729 6.172 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.248 -4.938 4.782 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.268 -3.769 4.655 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.048 -2.469 4.440 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.429 -3.661 5.931 1.00 0.00 C ATOM 0 H LEU A 98 -9.295 -5.785 3.582 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.159 -6.053 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.731 -5.126 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.036 -4.689 5.493 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.608 -3.940 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.350 -1.637 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.640 -2.547 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.710 -2.297 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.732 -2.828 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.085 -3.492 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.872 -4.586 6.079 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.484 -8.033 4.025 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.347 -9.195 3.833 1.00 0.00 C ATOM 1554 C VAL A 99 -11.899 -10.373 4.690 1.00 0.00 C ATOM 1555 O VAL A 99 -12.734 -11.100 5.228 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.339 -9.614 2.363 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -13.099 -10.935 2.209 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.017 -8.532 1.522 1.00 0.00 C ATOM 0 H VAL A 99 -10.942 -7.768 3.203 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.355 -8.911 4.136 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.311 -9.744 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.095 -11.237 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.616 -11.705 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.128 -10.804 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.012 -8.830 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.046 -8.402 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.477 -7.592 1.635 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.583 -10.561 4.796 1.00 0.00 N ATOM 1569 CA GLN A 100 -10.022 -11.666 5.577 1.00 0.00 C ATOM 1570 C GLN A 100 -11.087 -12.321 6.450 1.00 0.00 C ATOM 1571 O GLN A 100 -11.329 -11.893 7.579 1.00 0.00 O ATOM 1572 CB GLN A 100 -8.877 -11.162 6.455 1.00 0.00 C ATOM 1573 CG GLN A 100 -7.646 -10.895 5.586 1.00 0.00 C ATOM 1574 CD GLN A 100 -7.186 -12.189 4.920 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -7.143 -13.237 5.564 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -6.834 -12.179 3.663 1.00 0.00 N ATOM 0 H GLN A 100 -9.886 -9.964 4.352 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.644 -12.412 4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.175 -10.250 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.641 -11.900 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.882 -10.149 4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.842 -10.485 6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.870 -11.310 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.523 -13.040 3.214 1.00 0.00 H new ATOM 1585 N GLN A 101 -11.719 -13.359 5.914 1.00 0.00 N ATOM 1586 CA GLN A 101 -12.761 -14.070 6.646 1.00 0.00 C ATOM 1587 C GLN A 101 -12.138 -14.921 7.746 1.00 0.00 C ATOM 1588 O GLN A 101 -12.819 -15.709 8.401 1.00 0.00 O ATOM 1589 CB GLN A 101 -13.557 -14.961 5.688 1.00 0.00 C ATOM 1590 CG GLN A 101 -14.232 -14.097 4.619 1.00 0.00 C ATOM 1591 CD GLN A 101 -15.011 -14.981 3.652 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -15.051 -16.200 3.817 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -15.630 -14.436 2.642 1.00 0.00 N ATOM 0 H GLN A 101 -11.530 -13.725 4.981 1.00 0.00 H new ATOM 0 HA GLN A 101 -13.434 -13.342 7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -12.895 -15.688 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.308 -15.525 6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -14.903 -13.379 5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.481 -13.523 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.595 -13.425 2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.149 -15.020 1.986 1.00 0.00 H new ATOM 1602 N GLU A 102 -10.835 -14.748 7.941 1.00 0.00 N ATOM 1603 CA GLU A 102 -10.116 -15.495 8.964 1.00 0.00 C ATOM 1604 C GLU A 102 -10.733 -16.873 9.163 1.00 0.00 C ATOM 1605 O GLU A 102 -10.969 -17.301 10.293 1.00 0.00 O ATOM 1606 CB GLU A 102 -10.143 -14.725 10.285 1.00 0.00 C ATOM 1607 CG GLU A 102 -9.430 -13.383 10.105 1.00 0.00 C ATOM 1608 CD GLU A 102 -9.379 -12.636 11.434 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -10.014 -13.090 12.371 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -8.705 -11.621 11.496 1.00 0.00 O ATOM 0 H GLU A 102 -10.258 -14.099 7.406 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.084 -15.621 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.173 -14.563 10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.656 -15.306 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.419 -13.546 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.952 -12.782 9.360 1.00 0.00 H new ATOM 1617 N GLY A 103 -10.986 -17.564 8.057 1.00 0.00 N ATOM 1618 CA GLY A 103 -11.569 -18.899 8.116 1.00 0.00 C ATOM 1619 C GLY A 103 -10.576 -19.939 7.612 1.00 0.00 C ATOM 1620 O GLY A 103 -9.432 -19.989 8.065 1.00 0.00 O ATOM 0 H GLY A 103 -10.798 -17.224 7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.858 -19.131 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.477 -18.933 7.513 1.00 0.00 H new ATOM 1624 N ILE A 104 -11.017 -20.762 6.668 1.00 0.00 N ATOM 1625 CA ILE A 104 -10.156 -21.794 6.102 1.00 0.00 C ATOM 1626 C ILE A 104 -9.863 -21.498 4.635 1.00 0.00 C ATOM 1627 O ILE A 104 -10.772 -21.181 3.868 1.00 0.00 O ATOM 1628 CB ILE A 104 -10.835 -23.159 6.217 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -9.951 -24.222 5.563 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -12.190 -23.116 5.508 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -10.533 -25.609 5.837 1.00 0.00 C ATOM 0 H ILE A 104 -11.960 -20.736 6.280 1.00 0.00 H new ATOM 0 HA ILE A 104 -9.218 -21.804 6.657 1.00 0.00 H new ATOM 0 HB ILE A 104 -10.983 -23.405 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.889 -24.048 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.936 -24.158 5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -12.674 -24.089 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -12.820 -22.357 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -12.043 -22.871 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.903 -26.367 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -10.572 -25.781 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -11.540 -25.669 5.423 1.00 0.00 H new ATOM 1643 N PHE A 105 -8.589 -21.604 4.257 1.00 0.00 N ATOM 1644 CA PHE A 105 -8.175 -21.347 2.879 1.00 0.00 C ATOM 1645 C PHE A 105 -9.361 -21.418 1.925 1.00 0.00 C ATOM 1646 O PHE A 105 -10.109 -22.378 2.013 1.00 0.00 O ATOM 1647 CB PHE A 105 -7.124 -22.370 2.447 1.00 0.00 C ATOM 1648 CG PHE A 105 -5.803 -22.051 3.101 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -4.969 -21.072 2.548 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -5.408 -22.739 4.254 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -3.740 -20.779 3.148 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -4.177 -22.444 4.855 1.00 0.00 C ATOM 1653 CZ PHE A 105 -3.344 -21.465 4.302 1.00 0.00 C ATOM 1654 OXT PHE A 105 -9.505 -20.512 1.120 1.00 0.00 O ATOM 0 H PHE A 105 -7.828 -21.865 4.884 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.753 -20.343 2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.445 -23.374 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.016 -22.358 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.275 -20.543 1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.051 -23.496 4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.097 -20.024 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.871 -22.973 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.395 -21.239 4.766 1.00 0.00 H new TER 1664 PHE A 105