USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=20 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 93 GLN :FLIP amide:sc= -0.889 F(o=-2.3,f=-1.3) USER MOD Set 1.2: A 96 GLN : amide:sc= -0.367 K(o=-1.3,f=-4.5!) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= -0.272 USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= -0.189 F(o=-2.2!,f=-0.46) USER MOD Set 3.1: A 25 SER OG : rot -78:sc= 0.89 USER MOD Set 3.2: A 26 GLN : amide:sc= -0.198 X(o=0.69,f=0.51) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 3 SER OG : rot -72:sc= 1.1 USER MOD Single : A 5 SER OG : rot 180:sc= -0.394 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0819 F(o=-1.8!,f=-0.082) USER MOD Single : A 16 GLN :FLIP amide:sc= -3.77! C(o=-6.7!,f=-3.8!) USER MOD Single : A 21 THR OG1 : rot -76:sc= 0.112! USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 30 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -5.33! C(o=-7.7!,f=-5.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= -9.53! C(o=-9.5!,f=-21!) USER MOD Single : A 55 GLN :FLIP amide:sc= -2.96! C(o=-4.9!,f=-3!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.062) 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 160:sc= 0.34 USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= 1.25 (180deg=-0.238) USER MOD Single : A 82 SER OG : rot 61:sc= -5.25! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 89 GLN : amide:sc= -3.22 K(o=-3.2,f=-3.8) USER MOD Single : A 92 ASN : amide:sc= -0.0355 K(o=-0.035,f=-1.9!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.901 3.938 35.426 1.00 0.00 N ATOM 2 CA GLY A 1 -0.374 3.295 35.003 1.00 0.00 C ATOM 3 C GLY A 1 -0.245 2.805 33.566 1.00 0.00 C ATOM 4 O GLY A 1 -0.907 3.315 32.662 1.00 0.00 O ATOM 0 H1 GLY A 1 0.813 4.272 36.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.676 3.247 35.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.107 4.745 34.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.609 2.460 35.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.196 4.006 35.083 1.00 0.00 H new ATOM 10 N SER A 2 0.613 1.812 33.361 1.00 0.00 N ATOM 11 CA SER A 2 0.823 1.260 32.029 1.00 0.00 C ATOM 12 C SER A 2 -0.322 0.326 31.643 1.00 0.00 C ATOM 13 O SER A 2 -0.265 -0.353 30.617 1.00 0.00 O ATOM 14 CB SER A 2 2.152 0.500 31.984 1.00 0.00 C ATOM 15 OG SER A 2 2.253 -0.348 33.123 1.00 0.00 O ATOM 0 H SER A 2 1.171 1.376 34.095 1.00 0.00 H new ATOM 0 HA SER A 2 0.853 2.083 31.315 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.214 -0.091 31.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.985 1.203 31.966 1.00 0.00 H new ATOM 0 HG SER A 2 3.103 -0.836 33.093 1.00 0.00 H new ATOM 21 N SER A 3 -1.363 0.293 32.474 1.00 0.00 N ATOM 22 CA SER A 3 -2.516 -0.563 32.210 1.00 0.00 C ATOM 23 C SER A 3 -3.819 0.226 32.343 1.00 0.00 C ATOM 24 O SER A 3 -4.736 -0.191 33.050 1.00 0.00 O ATOM 25 CB SER A 3 -2.527 -1.735 33.193 1.00 0.00 C ATOM 26 OG SER A 3 -3.744 -2.454 33.053 1.00 0.00 O ATOM 0 H SER A 3 -1.431 0.845 33.329 1.00 0.00 H new ATOM 0 HA SER A 3 -2.438 -0.940 31.190 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.679 -2.393 33.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.423 -1.369 34.214 1.00 0.00 H new ATOM 0 HG SER A 3 -4.480 -1.927 33.428 1.00 0.00 H new ATOM 32 N LEU A 4 -3.892 1.367 31.663 1.00 0.00 N ATOM 33 CA LEU A 4 -5.086 2.206 31.720 1.00 0.00 C ATOM 34 C LEU A 4 -6.311 1.450 31.212 1.00 0.00 C ATOM 35 O LEU A 4 -7.412 1.614 31.737 1.00 0.00 O ATOM 36 CB LEU A 4 -4.881 3.467 30.882 1.00 0.00 C ATOM 37 CG LEU A 4 -6.021 4.452 31.161 1.00 0.00 C ATOM 38 CD1 LEU A 4 -5.536 5.880 30.902 1.00 0.00 C ATOM 39 CD2 LEU A 4 -7.214 4.145 30.249 1.00 0.00 C ATOM 0 H LEU A 4 -3.145 1.730 31.071 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.255 2.482 32.761 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.922 3.925 31.123 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.856 3.213 29.822 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.332 4.353 32.201 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.347 6.581 31.100 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.695 6.103 31.558 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.221 5.974 29.863 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.020 4.850 30.454 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.908 4.237 29.207 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.564 3.130 30.437 1.00 0.00 H new ATOM 51 N SER A 5 -6.117 0.624 30.189 1.00 0.00 N ATOM 52 CA SER A 5 -7.226 -0.143 29.633 1.00 0.00 C ATOM 53 C SER A 5 -7.149 -1.601 30.094 1.00 0.00 C ATOM 54 O SER A 5 -6.120 -2.035 30.611 1.00 0.00 O ATOM 55 CB SER A 5 -7.202 -0.073 28.105 1.00 0.00 C ATOM 56 OG SER A 5 -8.515 0.198 27.628 1.00 0.00 O ATOM 0 H SER A 5 -5.217 0.470 29.734 1.00 0.00 H new ATOM 0 HA SER A 5 -8.161 0.288 29.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.515 0.706 27.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.839 -1.014 27.692 1.00 0.00 H new ATOM 0 HG SER A 5 -8.504 0.245 26.649 1.00 0.00 H new ATOM 62 N PRO A 6 -8.206 -2.363 29.922 1.00 0.00 N ATOM 63 CA PRO A 6 -8.236 -3.794 30.337 1.00 0.00 C ATOM 64 C PRO A 6 -7.481 -4.700 29.366 1.00 0.00 C ATOM 65 O PRO A 6 -6.418 -5.226 29.692 1.00 0.00 O ATOM 66 CB PRO A 6 -9.728 -4.162 30.349 1.00 0.00 C ATOM 67 CG PRO A 6 -10.484 -2.936 29.933 1.00 0.00 C ATOM 68 CD PRO A 6 -9.481 -1.961 29.320 1.00 0.00 C ATOM 0 HA PRO A 6 -7.749 -3.930 31.303 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.927 -4.988 29.666 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.037 -4.487 31.342 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.260 -3.191 29.211 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.982 -2.484 30.791 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.455 -2.041 28.233 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.729 -0.927 29.558 1.00 0.00 H new ATOM 76 N GLN A 7 -8.051 -4.891 28.181 1.00 0.00 N ATOM 77 CA GLN A 7 -7.436 -5.752 27.177 1.00 0.00 C ATOM 78 C GLN A 7 -6.640 -4.941 26.161 1.00 0.00 C ATOM 79 O GLN A 7 -6.931 -3.770 25.918 1.00 0.00 O ATOM 80 CB GLN A 7 -8.520 -6.548 26.453 1.00 0.00 C ATOM 81 CG GLN A 7 -9.320 -7.350 27.479 1.00 0.00 C ATOM 82 CD GLN A 7 -10.373 -8.195 26.772 1.00 0.00 C ATOM 83 OE1 GLN A 7 -10.306 -8.385 25.559 1.00 0.00 O ATOM 84 NE2 GLN A 7 -11.352 -8.710 27.464 1.00 0.00 N ATOM 0 H GLN A 7 -8.932 -4.465 27.893 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.750 -6.429 27.686 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.179 -5.874 25.905 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.069 -7.218 25.721 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.652 -7.992 28.053 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.799 -6.675 28.188 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.405 -8.550 28.470 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.065 -9.272 26.999 1.00 0.00 H new ATOM 93 N ALA A 8 -5.634 -5.579 25.573 1.00 0.00 N ATOM 94 CA ALA A 8 -4.795 -4.919 24.581 1.00 0.00 C ATOM 95 C ALA A 8 -5.610 -4.552 23.344 1.00 0.00 C ATOM 96 O ALA A 8 -6.439 -5.334 22.881 1.00 0.00 O ATOM 97 CB ALA A 8 -3.648 -5.847 24.176 1.00 0.00 C ATOM 0 H ALA A 8 -5.381 -6.548 25.765 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.394 -4.006 25.021 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.023 -5.350 23.434 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.048 -6.088 25.053 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.055 -6.765 23.751 1.00 0.00 H new ATOM 103 N LEU A 9 -5.360 -3.363 22.809 1.00 0.00 N ATOM 104 CA LEU A 9 -6.070 -2.912 21.619 1.00 0.00 C ATOM 105 C LEU A 9 -5.374 -3.431 20.367 1.00 0.00 C ATOM 106 O LEU A 9 -4.168 -3.680 20.374 1.00 0.00 O ATOM 107 CB LEU A 9 -6.132 -1.383 21.587 1.00 0.00 C ATOM 108 CG LEU A 9 -4.792 -0.804 22.048 1.00 0.00 C ATOM 109 CD1 LEU A 9 -4.595 0.583 21.436 1.00 0.00 C ATOM 110 CD2 LEU A 9 -4.782 -0.687 23.573 1.00 0.00 C ATOM 0 H LEU A 9 -4.678 -2.699 23.176 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.086 -3.304 21.648 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.360 -1.039 20.578 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.935 -1.028 22.234 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.986 -1.464 21.726 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.641 0.994 21.765 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.601 0.505 20.349 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.403 1.240 21.757 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.827 -0.275 23.900 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.590 -0.029 23.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.921 -1.674 24.015 1.00 0.00 H new ATOM 122 N ALA A 10 -6.137 -3.596 19.294 1.00 0.00 N ATOM 123 CA ALA A 10 -5.574 -4.094 18.046 1.00 0.00 C ATOM 124 C ALA A 10 -4.515 -3.132 17.524 1.00 0.00 C ATOM 125 O ALA A 10 -4.637 -1.917 17.671 1.00 0.00 O ATOM 126 CB ALA A 10 -6.678 -4.259 17.002 1.00 0.00 C ATOM 0 H ALA A 10 -7.136 -3.395 19.262 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.111 -5.063 18.235 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.247 -4.632 16.073 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.421 -4.968 17.367 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.154 -3.295 16.820 1.00 0.00 H new ATOM 132 N GLN A 11 -3.471 -3.689 16.918 1.00 0.00 N ATOM 133 CA GLN A 11 -2.388 -2.877 16.382 1.00 0.00 C ATOM 134 C GLN A 11 -2.719 -2.413 14.964 1.00 0.00 C ATOM 135 O GLN A 11 -3.284 -3.170 14.174 1.00 0.00 O ATOM 136 CB GLN A 11 -1.095 -3.696 16.360 1.00 0.00 C ATOM 137 CG GLN A 11 -0.903 -4.391 17.711 1.00 0.00 C ATOM 138 CD GLN A 11 0.140 -5.501 17.593 1.00 0.00 C ATOM 139 OE1 GLN A 11 0.368 -6.057 16.433 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 0.765 -5.872 18.587 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.354 -4.694 16.787 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.260 -2.002 17.019 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.136 -4.437 15.561 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.245 -3.047 16.150 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.588 -3.664 18.460 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.851 -4.808 18.051 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.587 -5.438 19.493 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.461 -6.613 18.505 1.00 0.00 H new ATOM 149 N PRO A 12 -2.380 -1.193 14.628 1.00 0.00 N ATOM 150 CA PRO A 12 -2.648 -0.637 13.275 1.00 0.00 C ATOM 151 C PRO A 12 -2.097 -1.535 12.169 1.00 0.00 C ATOM 152 O PRO A 12 -1.375 -2.495 12.433 1.00 0.00 O ATOM 153 CB PRO A 12 -1.949 0.729 13.254 1.00 0.00 C ATOM 154 CG PRO A 12 -1.288 0.920 14.585 1.00 0.00 C ATOM 155 CD PRO A 12 -1.714 -0.223 15.507 1.00 0.00 C ATOM 0 HA PRO A 12 -3.719 -0.560 13.090 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.213 0.770 12.451 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.670 1.525 13.067 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.204 0.931 14.471 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.573 1.880 15.015 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.854 -0.669 16.006 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.388 0.130 16.288 1.00 0.00 H new ATOM 163 N LEU A 13 -2.446 -1.210 10.929 1.00 0.00 N ATOM 164 CA LEU A 13 -1.987 -1.981 9.781 1.00 0.00 C ATOM 165 C LEU A 13 -0.589 -1.526 9.383 1.00 0.00 C ATOM 166 O LEU A 13 -0.332 -0.328 9.271 1.00 0.00 O ATOM 167 CB LEU A 13 -2.945 -1.761 8.613 1.00 0.00 C ATOM 168 CG LEU A 13 -2.715 -2.813 7.529 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.820 -2.690 6.487 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.363 -2.583 6.854 1.00 0.00 C ATOM 0 H LEU A 13 -3.045 -0.418 10.694 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.960 -3.039 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.975 -1.812 8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.799 -0.764 8.198 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.725 -3.806 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.669 -3.435 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.788 -2.853 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.795 -1.693 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.208 -3.338 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.347 -1.592 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.569 -2.655 7.597 1.00 0.00 H new ATOM 182 N LEU A 14 0.313 -2.476 9.163 1.00 0.00 N ATOM 183 CA LEU A 14 1.662 -2.128 8.776 1.00 0.00 C ATOM 184 C LEU A 14 1.801 -2.198 7.263 1.00 0.00 C ATOM 185 O LEU A 14 1.699 -3.266 6.659 1.00 0.00 O ATOM 186 CB LEU A 14 2.644 -3.077 9.459 1.00 0.00 C ATOM 187 CG LEU A 14 2.405 -3.046 10.972 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.577 -3.710 11.696 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.271 -1.595 11.443 1.00 0.00 C ATOM 0 H LEU A 14 0.133 -3.476 9.246 1.00 0.00 H new ATOM 0 HA LEU A 14 1.885 -1.108 9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.513 -4.090 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.669 -2.782 9.235 1.00 0.00 H new ATOM 0 HG LEU A 14 1.487 -3.588 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.402 -3.685 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.668 -4.745 11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.498 -3.174 11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.101 -1.576 12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.186 -1.051 11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.430 -1.124 10.935 1.00 0.00 H new ATOM 201 N LEU A 15 2.009 -1.036 6.659 1.00 0.00 N ATOM 202 CA LEU A 15 2.136 -0.942 5.213 1.00 0.00 C ATOM 203 C LEU A 15 3.448 -0.244 4.851 1.00 0.00 C ATOM 204 O LEU A 15 3.770 0.805 5.408 1.00 0.00 O ATOM 205 CB LEU A 15 0.929 -0.153 4.675 1.00 0.00 C ATOM 206 CG LEU A 15 0.769 -0.357 3.169 1.00 0.00 C ATOM 207 CD1 LEU A 15 1.978 0.237 2.453 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.651 -1.854 2.857 1.00 0.00 C ATOM 0 H LEU A 15 2.093 -0.145 7.149 1.00 0.00 H new ATOM 0 HA LEU A 15 2.151 -1.936 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.022 -0.474 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.058 0.908 4.890 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.136 0.143 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.870 0.095 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.044 1.302 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.885 -0.261 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.537 -1.994 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.550 -2.368 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.218 -2.265 3.370 1.00 0.00 H new ATOM 220 N GLN A 16 4.209 -0.829 3.925 1.00 0.00 N ATOM 221 CA GLN A 16 5.482 -0.236 3.524 1.00 0.00 C ATOM 222 C GLN A 16 5.546 -0.010 2.021 1.00 0.00 C ATOM 223 O GLN A 16 4.824 -0.641 1.249 1.00 0.00 O ATOM 224 CB GLN A 16 6.648 -1.128 3.953 1.00 0.00 C ATOM 225 CG GLN A 16 6.878 -0.973 5.456 1.00 0.00 C ATOM 226 CD GLN A 16 8.094 -1.790 5.879 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.735 -2.492 4.990 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.471 -1.784 7.051 1.00 0.00 N flip ATOM 0 H GLN A 16 3.971 -1.698 3.447 1.00 0.00 H new ATOM 0 HA GLN A 16 5.559 0.731 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.432 -2.169 3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.550 -0.855 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.030 0.078 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.996 -1.305 6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.967 -1.233 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.287 -2.330 7.327 1.00 0.00 H new ATOM 237 N LEU A 17 6.424 0.903 1.620 1.00 0.00 N ATOM 238 CA LEU A 17 6.593 1.229 0.213 1.00 0.00 C ATOM 239 C LEU A 17 8.072 1.372 -0.131 1.00 0.00 C ATOM 240 O LEU A 17 8.818 2.076 0.551 1.00 0.00 O ATOM 241 CB LEU A 17 5.850 2.530 -0.104 1.00 0.00 C ATOM 242 CG LEU A 17 6.016 2.883 -1.584 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.101 2.000 -2.434 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.643 4.352 -1.800 1.00 0.00 C ATOM 0 H LEU A 17 7.028 1.429 2.251 1.00 0.00 H new ATOM 0 HA LEU A 17 6.179 0.420 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.792 2.421 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.236 3.339 0.516 1.00 0.00 H new ATOM 0 HG LEU A 17 7.052 2.718 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.224 2.256 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.363 0.953 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.064 2.161 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.760 4.606 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.607 4.512 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.296 4.985 -1.199 1.00 0.00 H new ATOM 256 N PHE A 18 8.488 0.701 -1.199 1.00 0.00 N ATOM 257 CA PHE A 18 9.878 0.762 -1.633 1.00 0.00 C ATOM 258 C PHE A 18 10.034 1.808 -2.730 1.00 0.00 C ATOM 259 O PHE A 18 9.371 1.736 -3.765 1.00 0.00 O ATOM 260 CB PHE A 18 10.316 -0.604 -2.170 1.00 0.00 C ATOM 261 CG PHE A 18 10.479 -1.582 -1.028 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.393 -2.349 -0.593 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.727 -1.728 -0.415 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.559 -3.260 0.459 1.00 0.00 C ATOM 265 CE2 PHE A 18 11.894 -2.634 0.634 1.00 0.00 C ATOM 266 CZ PHE A 18 10.811 -3.404 1.071 1.00 0.00 C ATOM 0 H PHE A 18 7.887 0.113 -1.776 1.00 0.00 H new ATOM 0 HA PHE A 18 10.501 1.034 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.577 -0.979 -2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.256 -0.506 -2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.429 -2.239 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.565 -1.138 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.721 -3.851 0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.859 -2.740 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.940 -4.109 1.879 1.00 0.00 H new ATOM 276 N VAL A 19 10.902 2.788 -2.495 1.00 0.00 N ATOM 277 CA VAL A 19 11.113 3.845 -3.479 1.00 0.00 C ATOM 278 C VAL A 19 12.596 4.138 -3.679 1.00 0.00 C ATOM 279 O VAL A 19 13.412 3.926 -2.779 1.00 0.00 O ATOM 280 CB VAL A 19 10.413 5.122 -3.016 1.00 0.00 C ATOM 281 CG1 VAL A 19 9.011 4.778 -2.514 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.224 5.757 -1.884 1.00 0.00 C ATOM 0 H VAL A 19 11.462 2.873 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 19 10.698 3.505 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 19 10.336 5.823 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.510 5.688 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.438 4.321 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.084 4.080 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.729 6.669 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.297 5.057 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.224 5.998 -2.244 1.00 0.00 H new ATOM 292 N ASP A 20 12.930 4.653 -4.858 1.00 0.00 N ATOM 293 CA ASP A 20 14.307 5.010 -5.169 1.00 0.00 C ATOM 294 C ASP A 20 14.465 6.529 -5.129 1.00 0.00 C ATOM 295 O ASP A 20 15.413 7.082 -5.682 1.00 0.00 O ATOM 296 CB ASP A 20 14.708 4.478 -6.547 1.00 0.00 C ATOM 297 CG ASP A 20 13.958 5.229 -7.639 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.205 6.127 -7.302 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.147 4.895 -8.798 1.00 0.00 O ATOM 0 H ASP A 20 12.266 4.832 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 20 14.961 4.557 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.783 4.591 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.488 3.412 -6.612 1.00 0.00 H new ATOM 304 N THR A 21 13.515 7.187 -4.464 1.00 0.00 N ATOM 305 CA THR A 21 13.520 8.647 -4.330 1.00 0.00 C ATOM 306 C THR A 21 13.021 9.338 -5.602 1.00 0.00 C ATOM 307 O THR A 21 13.056 10.565 -5.694 1.00 0.00 O ATOM 308 CB THR A 21 14.929 9.161 -3.992 1.00 0.00 C ATOM 309 OG1 THR A 21 15.726 9.186 -5.168 1.00 0.00 O ATOM 310 CG2 THR A 21 15.586 8.257 -2.945 1.00 0.00 C ATOM 0 H THR A 21 12.726 6.730 -4.006 1.00 0.00 H new ATOM 0 HA THR A 21 12.839 8.891 -3.515 1.00 0.00 H new ATOM 0 HB THR A 21 14.847 10.170 -3.587 1.00 0.00 H new ATOM 0 HG1 THR A 21 16.005 8.274 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.583 8.632 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.982 8.252 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.661 7.242 -3.336 1.00 0.00 H new ATOM 318 N ARG A 22 12.547 8.561 -6.573 1.00 0.00 N ATOM 319 CA ARG A 22 12.038 9.144 -7.813 1.00 0.00 C ATOM 320 C ARG A 22 10.655 9.770 -7.590 1.00 0.00 C ATOM 321 O ARG A 22 9.858 9.261 -6.803 1.00 0.00 O ATOM 322 CB ARG A 22 11.968 8.082 -8.908 1.00 0.00 C ATOM 323 CG ARG A 22 10.907 7.038 -8.562 1.00 0.00 C ATOM 324 CD ARG A 22 10.990 5.900 -9.575 1.00 0.00 C ATOM 325 NE ARG A 22 10.779 4.616 -8.920 1.00 0.00 N ATOM 326 CZ ARG A 22 11.371 3.511 -9.369 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.306 3.207 -10.637 1.00 0.00 N ATOM 328 NH2 ARG A 22 12.012 2.731 -8.544 1.00 0.00 N ATOM 0 H ARG A 22 12.504 7.543 -6.528 1.00 0.00 H new ATOM 0 HA ARG A 22 12.724 9.930 -8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.731 8.549 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.939 7.601 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.066 6.658 -7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.914 7.488 -8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.242 6.044 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.965 5.910 -10.063 1.00 0.00 H new ATOM 0 HE ARG A 22 10.168 4.563 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.802 3.816 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.759 2.361 -10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.061 2.967 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.465 1.885 -8.890 1.00 0.00 H new ATOM 342 N PRO A 23 10.370 10.863 -8.259 1.00 0.00 N ATOM 343 CA PRO A 23 9.065 11.575 -8.125 1.00 0.00 C ATOM 344 C PRO A 23 7.874 10.638 -8.297 1.00 0.00 C ATOM 345 O PRO A 23 6.851 10.794 -7.629 1.00 0.00 O ATOM 346 CB PRO A 23 9.068 12.622 -9.247 1.00 0.00 C ATOM 347 CG PRO A 23 10.351 12.465 -10.000 1.00 0.00 C ATOM 348 CD PRO A 23 11.263 11.531 -9.203 1.00 0.00 C ATOM 0 HA PRO A 23 8.963 12.011 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.214 12.478 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.985 13.627 -8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.162 12.055 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.830 13.434 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.761 10.813 -9.854 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.044 12.087 -8.685 1.00 0.00 H new ATOM 356 N LEU A 24 8.005 9.673 -9.201 1.00 0.00 N ATOM 357 CA LEU A 24 6.924 8.729 -9.450 1.00 0.00 C ATOM 358 C LEU A 24 6.501 8.054 -8.147 1.00 0.00 C ATOM 359 O LEU A 24 5.311 7.912 -7.868 1.00 0.00 O ATOM 360 CB LEU A 24 7.380 7.671 -10.451 1.00 0.00 C ATOM 361 CG LEU A 24 6.229 6.709 -10.742 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.189 7.399 -11.628 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.779 5.479 -11.458 1.00 0.00 C ATOM 0 H LEU A 24 8.840 9.525 -9.768 1.00 0.00 H new ATOM 0 HA LEU A 24 6.073 9.272 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.711 8.148 -11.374 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.233 7.123 -10.052 1.00 0.00 H new ATOM 0 HG LEU A 24 5.756 6.410 -9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.370 6.709 -11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.802 8.280 -11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.653 7.700 -12.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.964 4.787 -11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.250 5.782 -12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.517 4.988 -10.823 1.00 0.00 H new ATOM 375 N SER A 25 7.484 7.649 -7.346 1.00 0.00 N ATOM 376 CA SER A 25 7.193 7.007 -6.069 1.00 0.00 C ATOM 377 C SER A 25 6.494 7.996 -5.149 1.00 0.00 C ATOM 378 O SER A 25 5.523 7.654 -4.475 1.00 0.00 O ATOM 379 CB SER A 25 8.484 6.513 -5.418 1.00 0.00 C ATOM 380 OG SER A 25 9.285 7.629 -5.057 1.00 0.00 O ATOM 0 H SER A 25 8.477 7.753 -7.556 1.00 0.00 H new ATOM 0 HA SER A 25 6.541 6.151 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.254 5.915 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.029 5.868 -6.107 1.00 0.00 H new ATOM 0 HG SER A 25 9.736 7.979 -5.854 1.00 0.00 H new ATOM 386 N GLN A 26 6.970 9.238 -5.158 1.00 0.00 N ATOM 387 CA GLN A 26 6.352 10.281 -4.354 1.00 0.00 C ATOM 388 C GLN A 26 4.944 10.497 -4.882 1.00 0.00 C ATOM 389 O GLN A 26 4.007 10.780 -4.135 1.00 0.00 O ATOM 390 CB GLN A 26 7.166 11.575 -4.462 1.00 0.00 C ATOM 391 CG GLN A 26 8.579 11.330 -3.927 1.00 0.00 C ATOM 392 CD GLN A 26 8.522 10.991 -2.441 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.024 11.783 -1.641 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.002 9.852 -2.022 1.00 0.00 N ATOM 0 H GLN A 26 7.773 9.542 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 26 6.320 9.989 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.210 11.905 -5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.683 12.371 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.049 10.514 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.195 12.216 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.414 9.197 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.965 9.617 -1.030 1.00 0.00 H new ATOM 403 N HIS A 27 4.823 10.321 -6.193 1.00 0.00 N ATOM 404 CA HIS A 27 3.554 10.448 -6.888 1.00 0.00 C ATOM 405 C HIS A 27 2.603 9.366 -6.379 1.00 0.00 C ATOM 406 O HIS A 27 1.479 9.638 -5.946 1.00 0.00 O ATOM 407 CB HIS A 27 3.819 10.231 -8.377 1.00 0.00 C ATOM 408 CG HIS A 27 2.888 11.045 -9.221 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.533 11.161 -8.956 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.119 11.782 -10.350 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.003 11.946 -9.913 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.928 12.353 -10.789 1.00 0.00 N ATOM 0 H HIS A 27 5.606 10.086 -6.803 1.00 0.00 H new ATOM 0 HA HIS A 27 3.110 11.429 -6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.850 10.499 -8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.702 9.175 -8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.080 11.903 -10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.042 12.214 -9.967 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.790 12.952 -11.603 1.00 0.00 H new ATOM 420 N ILE A 28 3.096 8.130 -6.426 1.00 0.00 N ATOM 421 CA ILE A 28 2.337 6.977 -5.966 1.00 0.00 C ATOM 422 C ILE A 28 2.081 7.065 -4.468 1.00 0.00 C ATOM 423 O ILE A 28 1.028 6.654 -3.982 1.00 0.00 O ATOM 424 CB ILE A 28 3.113 5.699 -6.275 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.195 5.511 -7.789 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.401 4.500 -5.646 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.162 4.372 -8.107 1.00 0.00 C ATOM 0 H ILE A 28 4.025 7.904 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 28 1.378 6.962 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 28 4.119 5.775 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.207 5.288 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.533 6.433 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.957 3.589 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.344 4.636 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.394 4.419 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.222 4.236 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.150 4.614 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.805 3.452 -7.645 1.00 0.00 H new ATOM 439 N VAL A 29 3.056 7.597 -3.740 1.00 0.00 N ATOM 440 CA VAL A 29 2.927 7.726 -2.296 1.00 0.00 C ATOM 441 C VAL A 29 1.672 8.516 -1.954 1.00 0.00 C ATOM 442 O VAL A 29 0.896 8.114 -1.085 1.00 0.00 O ATOM 443 CB VAL A 29 4.165 8.420 -1.725 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.946 8.734 -0.246 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.377 7.495 -1.871 1.00 0.00 C ATOM 0 H VAL A 29 3.936 7.943 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 29 2.845 6.733 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 29 4.341 9.348 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.831 9.228 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.083 9.391 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.768 7.808 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.261 7.987 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.195 6.568 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.539 7.271 -2.925 1.00 0.00 H new ATOM 455 N GLN A 30 1.461 9.629 -2.650 1.00 0.00 N ATOM 456 CA GLN A 30 0.272 10.435 -2.406 1.00 0.00 C ATOM 457 C GLN A 30 -0.970 9.610 -2.700 1.00 0.00 C ATOM 458 O GLN A 30 -1.937 9.636 -1.941 1.00 0.00 O ATOM 459 CB GLN A 30 0.269 11.690 -3.280 1.00 0.00 C ATOM 460 CG GLN A 30 1.414 12.607 -2.860 1.00 0.00 C ATOM 461 CD GLN A 30 1.292 12.950 -1.378 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.261 13.458 -0.940 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.290 12.701 -0.575 1.00 0.00 N ATOM 0 H GLN A 30 2.085 9.987 -3.373 1.00 0.00 H new ATOM 0 HA GLN A 30 0.276 10.744 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.376 11.415 -4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.683 12.212 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.370 12.120 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.397 13.520 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.145 12.280 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.215 12.928 0.417 1.00 0.00 H new ATOM 472 N ARG A 31 -0.931 8.866 -3.800 1.00 0.00 N ATOM 473 CA ARG A 31 -2.069 8.028 -4.159 1.00 0.00 C ATOM 474 C ARG A 31 -2.301 6.986 -3.081 1.00 0.00 C ATOM 475 O ARG A 31 -3.437 6.717 -2.693 1.00 0.00 O ATOM 476 CB ARG A 31 -1.824 7.310 -5.484 1.00 0.00 C ATOM 477 CG ARG A 31 -1.714 8.320 -6.625 1.00 0.00 C ATOM 478 CD ARG A 31 -1.741 7.561 -7.951 1.00 0.00 C ATOM 479 NE ARG A 31 -1.473 8.460 -9.065 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.737 8.095 -10.314 1.00 0.00 C ATOM 481 NH1 ARG A 31 -0.975 7.219 -10.911 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.761 8.608 -10.942 1.00 0.00 N ATOM 0 H ARG A 31 -0.143 8.825 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.942 8.673 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.909 6.721 -5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.638 6.614 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.537 9.033 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.791 8.893 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.998 6.763 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.714 7.088 -8.085 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.077 9.382 -8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.178 6.816 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.176 6.938 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.358 9.289 -10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.964 8.327 -11.902 1.00 0.00 H new ATOM 496 N VAL A 32 -1.213 6.404 -2.593 1.00 0.00 N ATOM 497 CA VAL A 32 -1.316 5.397 -1.553 1.00 0.00 C ATOM 498 C VAL A 32 -1.898 6.015 -0.289 1.00 0.00 C ATOM 499 O VAL A 32 -2.867 5.509 0.274 1.00 0.00 O ATOM 500 CB VAL A 32 0.069 4.808 -1.266 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.012 3.949 -0.003 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.504 3.939 -2.449 1.00 0.00 C ATOM 0 H VAL A 32 -0.262 6.610 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.978 4.599 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 32 0.783 5.618 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.999 3.532 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.301 4.563 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.702 3.138 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.489 3.518 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.214 3.131 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.547 4.548 -3.352 1.00 0.00 H new ATOM 512 N LYS A 33 -1.309 7.122 0.144 1.00 0.00 N ATOM 513 CA LYS A 33 -1.780 7.812 1.335 1.00 0.00 C ATOM 514 C LYS A 33 -3.209 8.319 1.158 1.00 0.00 C ATOM 515 O LYS A 33 -4.026 8.226 2.073 1.00 0.00 O ATOM 516 CB LYS A 33 -0.860 8.987 1.641 1.00 0.00 C ATOM 517 CG LYS A 33 0.503 8.462 2.091 1.00 0.00 C ATOM 518 CD LYS A 33 1.373 9.638 2.526 1.00 0.00 C ATOM 519 CE LYS A 33 2.769 9.133 2.892 1.00 0.00 C ATOM 520 NZ LYS A 33 2.783 8.702 4.316 1.00 0.00 N ATOM 0 H LYS A 33 -0.507 7.559 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.771 7.103 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.746 9.614 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.297 9.611 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.382 7.759 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.984 7.919 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.439 10.372 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.921 10.141 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.047 8.300 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.506 9.920 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.732 8.358 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.535 9.508 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.091 7.938 4.454 1.00 0.00 H new ATOM 534 N ASN A 34 -3.498 8.870 -0.016 1.00 0.00 N ATOM 535 CA ASN A 34 -4.825 9.406 -0.290 1.00 0.00 C ATOM 536 C ASN A 34 -5.886 8.309 -0.245 1.00 0.00 C ATOM 537 O ASN A 34 -6.947 8.486 0.353 1.00 0.00 O ATOM 538 CB ASN A 34 -4.828 10.078 -1.662 1.00 0.00 C ATOM 539 CG ASN A 34 -3.863 11.262 -1.665 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.063 11.442 -2.683 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -3.834 12.041 -0.713 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.836 8.957 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.067 10.138 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.538 9.360 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.834 10.418 -1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.459 11.900 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.185 12.828 -0.718 1.00 0.00 H new ATOM 548 N ILE A 35 -5.593 7.177 -0.874 1.00 0.00 N ATOM 549 CA ILE A 35 -6.536 6.060 -0.889 1.00 0.00 C ATOM 550 C ILE A 35 -6.682 5.459 0.505 1.00 0.00 C ATOM 551 O ILE A 35 -7.798 5.241 0.981 1.00 0.00 O ATOM 552 CB ILE A 35 -6.067 4.986 -1.869 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.047 5.566 -3.288 1.00 0.00 C ATOM 554 CG2 ILE A 35 -7.028 3.797 -1.816 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.316 4.603 -4.228 1.00 0.00 C ATOM 0 H ILE A 35 -4.721 7.007 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.507 6.438 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.064 4.655 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.066 5.729 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.551 6.536 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.696 3.029 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.044 3.387 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.030 4.127 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.303 5.018 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.292 4.462 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.831 3.642 -4.237 1.00 0.00 H new ATOM 567 N LEU A 36 -5.554 5.204 1.165 1.00 0.00 N ATOM 568 CA LEU A 36 -5.593 4.644 2.511 1.00 0.00 C ATOM 569 C LEU A 36 -6.331 5.596 3.434 1.00 0.00 C ATOM 570 O LEU A 36 -7.130 5.179 4.269 1.00 0.00 O ATOM 571 CB LEU A 36 -4.177 4.415 3.039 1.00 0.00 C ATOM 572 CG LEU A 36 -3.490 3.336 2.204 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.048 3.164 2.681 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.244 2.015 2.371 1.00 0.00 C ATOM 0 H LEU A 36 -4.618 5.373 0.797 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.112 3.686 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.606 5.343 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.212 4.112 4.086 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.491 3.628 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.557 2.394 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.512 4.107 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.045 2.868 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.758 1.241 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.239 1.723 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.273 2.138 2.034 1.00 0.00 H new ATOM 586 N ALA A 37 -6.074 6.884 3.254 1.00 0.00 N ATOM 587 CA ALA A 37 -6.738 7.897 4.051 1.00 0.00 C ATOM 588 C ALA A 37 -8.214 7.918 3.691 1.00 0.00 C ATOM 589 O ALA A 37 -9.035 8.500 4.401 1.00 0.00 O ATOM 590 CB ALA A 37 -6.118 9.270 3.784 1.00 0.00 C ATOM 0 H ALA A 37 -5.414 7.247 2.566 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.619 7.663 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.625 10.022 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.060 9.248 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.227 9.519 2.728 1.00 0.00 H new ATOM 596 N ALA A 38 -8.539 7.277 2.570 1.00 0.00 N ATOM 597 CA ALA A 38 -9.916 7.223 2.105 1.00 0.00 C ATOM 598 C ALA A 38 -10.671 6.072 2.766 1.00 0.00 C ATOM 599 O ALA A 38 -11.900 6.089 2.845 1.00 0.00 O ATOM 600 CB ALA A 38 -9.943 7.048 0.587 1.00 0.00 C ATOM 0 H ALA A 38 -7.869 6.792 1.973 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.405 8.159 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.977 7.008 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.436 7.889 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.436 6.121 0.318 1.00 0.00 H new ATOM 606 N VAL A 39 -9.932 5.070 3.235 1.00 0.00 N ATOM 607 CA VAL A 39 -10.552 3.917 3.879 1.00 0.00 C ATOM 608 C VAL A 39 -10.781 4.183 5.361 1.00 0.00 C ATOM 609 O VAL A 39 -11.464 3.416 6.041 1.00 0.00 O ATOM 610 CB VAL A 39 -9.672 2.675 3.706 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.554 2.665 4.752 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.533 1.422 3.872 1.00 0.00 C ATOM 0 H VAL A 39 -8.914 5.033 3.182 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.517 3.742 3.403 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.225 2.692 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.937 1.777 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.938 3.556 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.990 2.655 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.912 0.535 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.981 1.417 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.321 1.420 3.119 1.00 0.00 H new ATOM 622 N GLU A 40 -10.207 5.272 5.856 1.00 0.00 N ATOM 623 CA GLU A 40 -10.361 5.624 7.261 1.00 0.00 C ATOM 624 C GLU A 40 -10.502 4.353 8.100 1.00 0.00 C ATOM 625 O GLU A 40 -9.535 3.614 8.286 1.00 0.00 O ATOM 626 CB GLU A 40 -11.593 6.517 7.432 1.00 0.00 C ATOM 627 CG GLU A 40 -11.592 7.129 8.834 1.00 0.00 C ATOM 628 CD GLU A 40 -12.856 7.954 9.044 1.00 0.00 C ATOM 629 OE1 GLU A 40 -13.672 7.995 8.139 1.00 0.00 O ATOM 630 OE2 GLU A 40 -12.990 8.535 10.110 1.00 0.00 O ATOM 0 H GLU A 40 -9.637 5.920 5.313 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.480 6.169 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.590 7.306 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.501 5.934 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.534 6.340 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.711 7.758 8.964 1.00 0.00 H new ATOM 637 N ALA A 41 -11.713 4.096 8.587 1.00 0.00 N ATOM 638 CA ALA A 41 -11.973 2.902 9.387 1.00 0.00 C ATOM 639 C ALA A 41 -11.440 3.066 10.806 1.00 0.00 C ATOM 640 O ALA A 41 -10.757 4.041 11.115 1.00 0.00 O ATOM 641 CB ALA A 41 -11.320 1.680 8.736 1.00 0.00 C ATOM 0 H ALA A 41 -12.526 4.695 8.443 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.052 2.759 9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.520 0.795 9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.731 1.537 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.243 1.836 8.667 1.00 0.00 H new ATOM 647 N THR A 42 -11.763 2.102 11.664 1.00 0.00 N ATOM 648 CA THR A 42 -11.316 2.144 13.052 1.00 0.00 C ATOM 649 C THR A 42 -9.872 1.674 13.171 1.00 0.00 C ATOM 650 O THR A 42 -9.241 1.840 14.215 1.00 0.00 O ATOM 651 CB THR A 42 -12.211 1.251 13.912 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.062 -0.101 13.499 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.668 1.682 13.754 1.00 0.00 C ATOM 0 H THR A 42 -12.329 1.288 11.424 1.00 0.00 H new ATOM 0 HA THR A 42 -11.379 3.175 13.400 1.00 0.00 H new ATOM 0 HB THR A 42 -11.922 1.344 14.959 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.633 -0.676 14.050 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.305 1.045 14.368 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.777 2.719 14.073 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.963 1.591 12.709 1.00 0.00 H new ATOM 661 N VAL A 43 -9.355 1.084 12.099 1.00 0.00 N ATOM 662 CA VAL A 43 -7.990 0.592 12.097 1.00 0.00 C ATOM 663 C VAL A 43 -7.145 1.351 11.079 1.00 0.00 C ATOM 664 O VAL A 43 -7.034 0.950 9.921 1.00 0.00 O ATOM 665 CB VAL A 43 -7.984 -0.899 11.768 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.309 -1.700 13.029 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.038 -1.190 10.699 1.00 0.00 C ATOM 0 H VAL A 43 -9.861 0.937 11.226 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.560 0.749 13.086 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.999 -1.184 11.397 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.305 -2.765 12.795 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.560 -1.494 13.794 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.294 -1.413 13.398 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.034 -2.254 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.022 -0.904 11.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.811 -0.619 9.799 1.00 0.00 H new ATOM 677 N PRO A 44 -6.552 2.438 11.496 1.00 0.00 N ATOM 678 CA PRO A 44 -5.699 3.270 10.608 1.00 0.00 C ATOM 679 C PRO A 44 -4.462 2.511 10.138 1.00 0.00 C ATOM 680 O PRO A 44 -3.986 1.600 10.818 1.00 0.00 O ATOM 681 CB PRO A 44 -5.306 4.490 11.454 1.00 0.00 C ATOM 682 CG PRO A 44 -5.949 4.334 12.798 1.00 0.00 C ATOM 683 CD PRO A 44 -6.637 2.969 12.859 1.00 0.00 C ATOM 0 HA PRO A 44 -6.231 3.554 9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.222 4.555 11.553 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.638 5.411 10.975 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.201 4.415 13.586 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.675 5.130 12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.141 2.309 13.571 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.674 3.064 13.181 1.00 0.00 H new ATOM 691 N ILE A 45 -3.949 2.888 8.973 1.00 0.00 N ATOM 692 CA ILE A 45 -2.769 2.236 8.413 1.00 0.00 C ATOM 693 C ILE A 45 -1.548 3.144 8.527 1.00 0.00 C ATOM 694 O ILE A 45 -1.643 4.352 8.306 1.00 0.00 O ATOM 695 CB ILE A 45 -2.993 1.922 6.938 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.278 1.104 6.771 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.796 1.124 6.410 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.439 2.045 6.444 1.00 0.00 C ATOM 0 H ILE A 45 -4.330 3.640 8.398 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.598 1.317 8.973 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.091 2.851 6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.154 0.370 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.491 0.550 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.948 0.895 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.886 1.713 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.701 0.195 6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.354 1.466 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.566 2.762 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.225 2.579 5.518 1.00 0.00 H new ATOM 710 N SER A 46 -0.397 2.560 8.842 1.00 0.00 N ATOM 711 CA SER A 46 0.831 3.338 8.941 1.00 0.00 C ATOM 712 C SER A 46 1.684 3.074 7.706 1.00 0.00 C ATOM 713 O SER A 46 1.892 1.922 7.325 1.00 0.00 O ATOM 714 CB SER A 46 1.606 2.955 10.201 1.00 0.00 C ATOM 715 OG SER A 46 2.652 3.894 10.411 1.00 0.00 O ATOM 0 H SER A 46 -0.289 1.563 9.031 1.00 0.00 H new ATOM 0 HA SER A 46 0.583 4.398 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.938 2.938 11.062 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.018 1.951 10.098 1.00 0.00 H new ATOM 0 HG SER A 46 3.151 3.653 11.219 1.00 0.00 H new ATOM 721 N LEU A 47 2.157 4.136 7.065 1.00 0.00 N ATOM 722 CA LEU A 47 2.958 3.974 5.858 1.00 0.00 C ATOM 723 C LEU A 47 4.437 4.207 6.141 1.00 0.00 C ATOM 724 O LEU A 47 4.826 5.251 6.663 1.00 0.00 O ATOM 725 CB LEU A 47 2.483 4.959 4.788 1.00 0.00 C ATOM 726 CG LEU A 47 2.508 4.283 3.414 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.227 5.323 2.329 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.882 3.655 3.170 1.00 0.00 C ATOM 0 H LEU A 47 2.004 5.102 7.354 1.00 0.00 H new ATOM 0 HA LEU A 47 2.833 2.951 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.474 5.301 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.124 5.841 4.782 1.00 0.00 H new ATOM 0 HG LEU A 47 1.745 3.505 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.245 4.842 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.246 5.768 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.989 6.101 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.894 3.175 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.648 4.430 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.084 2.911 3.941 1.00 0.00 H new ATOM 740 N GLN A 48 5.260 3.233 5.770 1.00 0.00 N ATOM 741 CA GLN A 48 6.698 3.347 5.965 1.00 0.00 C ATOM 742 C GLN A 48 7.415 3.165 4.633 1.00 0.00 C ATOM 743 O GLN A 48 7.235 2.156 3.951 1.00 0.00 O ATOM 744 CB GLN A 48 7.184 2.299 6.969 1.00 0.00 C ATOM 745 CG GLN A 48 7.557 2.985 8.286 1.00 0.00 C ATOM 746 CD GLN A 48 8.786 3.868 8.081 1.00 0.00 C ATOM 747 OE1 GLN A 48 9.808 3.403 7.577 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.748 5.121 8.447 1.00 0.00 N ATOM 0 H GLN A 48 4.958 2.361 5.335 1.00 0.00 H new ATOM 0 HA GLN A 48 6.922 4.338 6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.405 1.557 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.047 1.768 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.721 3.587 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.760 2.236 9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.900 5.505 8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.566 5.716 8.315 1.00 0.00 H new ATOM 757 N VAL A 49 8.220 4.150 4.264 1.00 0.00 N ATOM 758 CA VAL A 49 8.949 4.091 3.004 1.00 0.00 C ATOM 759 C VAL A 49 10.359 3.570 3.218 1.00 0.00 C ATOM 760 O VAL A 49 11.063 4.003 4.131 1.00 0.00 O ATOM 761 CB VAL A 49 9.035 5.479 2.368 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.624 5.354 0.962 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.637 6.097 2.290 1.00 0.00 C ATOM 0 H VAL A 49 8.385 4.994 4.813 1.00 0.00 H new ATOM 0 HA VAL A 49 8.407 3.414 2.344 1.00 0.00 H new ATOM 0 HB VAL A 49 9.675 6.120 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.687 6.341 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.621 4.918 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.984 4.713 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.701 7.086 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.991 5.461 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.221 6.185 3.294 1.00 0.00 H new ATOM 773 N ILE A 50 10.772 2.650 2.359 1.00 0.00 N ATOM 774 CA ILE A 50 12.105 2.092 2.450 1.00 0.00 C ATOM 775 C ILE A 50 12.912 2.518 1.236 1.00 0.00 C ATOM 776 O ILE A 50 12.537 2.233 0.099 1.00 0.00 O ATOM 777 CB ILE A 50 12.022 0.569 2.520 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.069 0.184 3.653 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.415 -0.003 2.792 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.019 -1.339 3.816 1.00 0.00 C ATOM 0 H ILE A 50 10.205 2.279 1.597 1.00 0.00 H new ATOM 0 HA ILE A 50 12.595 2.458 3.352 1.00 0.00 H new ATOM 0 HB ILE A 50 11.653 0.167 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.397 0.645 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.070 0.566 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.358 -1.090 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.091 0.288 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.789 0.385 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.337 -1.596 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.669 -1.793 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.016 -1.713 4.049 1.00 0.00 H new ATOM 792 N ASN A 51 14.017 3.206 1.481 1.00 0.00 N ATOM 793 CA ASN A 51 14.858 3.670 0.393 1.00 0.00 C ATOM 794 C ASN A 51 15.784 2.546 -0.061 1.00 0.00 C ATOM 795 O ASN A 51 16.757 2.210 0.617 1.00 0.00 O ATOM 796 CB ASN A 51 15.673 4.882 0.850 1.00 0.00 C ATOM 797 CG ASN A 51 16.587 5.358 -0.272 1.00 0.00 C ATOM 798 OD1 ASN A 51 16.731 4.678 -1.289 1.00 0.00 O ATOM 799 ND2 ASN A 51 17.218 6.495 -0.148 1.00 0.00 N ATOM 0 H ASN A 51 14.348 3.452 2.414 1.00 0.00 H new ATOM 0 HA ASN A 51 14.231 3.966 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.003 5.688 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.267 4.620 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.832 6.822 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.097 7.056 0.695 1.00 0.00 H new ATOM 806 N VAL A 52 15.455 1.959 -1.205 1.00 0.00 N ATOM 807 CA VAL A 52 16.238 0.855 -1.751 1.00 0.00 C ATOM 808 C VAL A 52 17.692 1.256 -1.956 1.00 0.00 C ATOM 809 O VAL A 52 18.595 0.428 -1.832 1.00 0.00 O ATOM 810 CB VAL A 52 15.636 0.413 -3.083 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.135 0.197 -2.901 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.872 1.498 -4.135 1.00 0.00 C ATOM 0 H VAL A 52 14.652 2.228 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 52 16.210 0.031 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 52 16.106 -0.514 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.696 -0.119 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.967 -0.573 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.670 1.128 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.442 1.183 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.399 2.426 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.943 1.660 -4.257 1.00 0.00 H new ATOM 822 N ALA A 53 17.916 2.524 -2.266 1.00 0.00 N ATOM 823 CA ALA A 53 19.268 3.007 -2.480 1.00 0.00 C ATOM 824 C ALA A 53 20.013 3.050 -1.157 1.00 0.00 C ATOM 825 O ALA A 53 21.244 3.048 -1.126 1.00 0.00 O ATOM 826 CB ALA A 53 19.232 4.404 -3.099 1.00 0.00 C ATOM 0 H ALA A 53 17.187 3.229 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 53 19.784 2.330 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.251 4.759 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.710 4.365 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.710 5.086 -2.428 1.00 0.00 H new ATOM 832 N ASP A 54 19.259 3.097 -0.067 1.00 0.00 N ATOM 833 CA ASP A 54 19.864 3.149 1.251 1.00 0.00 C ATOM 834 C ASP A 54 19.969 1.753 1.865 1.00 0.00 C ATOM 835 O ASP A 54 20.829 1.507 2.708 1.00 0.00 O ATOM 836 CB ASP A 54 19.038 4.047 2.172 1.00 0.00 C ATOM 837 CG ASP A 54 18.854 5.422 1.535 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.324 5.607 0.424 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.240 6.267 2.166 1.00 0.00 O ATOM 0 H ASP A 54 18.239 3.100 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 54 20.869 3.558 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.066 3.592 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.535 4.148 3.137 1.00 0.00 H new ATOM 844 N GLN A 55 19.083 0.845 1.452 1.00 0.00 N ATOM 845 CA GLN A 55 19.093 -0.514 1.992 1.00 0.00 C ATOM 846 C GLN A 55 18.450 -1.513 1.026 1.00 0.00 C ATOM 847 O GLN A 55 17.300 -1.909 1.201 1.00 0.00 O ATOM 848 CB GLN A 55 18.343 -0.543 3.326 1.00 0.00 C ATOM 849 CG GLN A 55 16.844 -0.373 3.072 1.00 0.00 C ATOM 850 CD GLN A 55 16.242 0.580 4.101 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.531 1.597 3.697 1.00 0.00 O flip ATOM 852 NE2 GLN A 55 16.423 0.393 5.305 1.00 0.00 N flip ATOM 0 H GLN A 55 18.359 1.023 0.755 1.00 0.00 H new ATOM 0 HA GLN A 55 20.133 -0.807 2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.531 -1.485 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.705 0.253 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.679 0.014 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.346 -1.341 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.979 -0.402 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.017 1.033 5.987 1.00 0.00 H new ATOM 861 N PRO A 56 19.182 -1.921 0.025 1.00 0.00 N ATOM 862 CA PRO A 56 18.720 -2.906 -1.004 1.00 0.00 C ATOM 863 C PRO A 56 18.772 -4.353 -0.508 1.00 0.00 C ATOM 864 O PRO A 56 18.395 -5.286 -1.226 1.00 0.00 O ATOM 865 CB PRO A 56 19.710 -2.725 -2.164 1.00 0.00 C ATOM 866 CG PRO A 56 20.680 -1.657 -1.751 1.00 0.00 C ATOM 867 CD PRO A 56 20.547 -1.483 -0.243 1.00 0.00 C ATOM 0 HA PRO A 56 17.679 -2.727 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.231 -3.659 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.187 -2.439 -3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.699 -1.939 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.464 -0.721 -2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.277 -2.086 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.704 -0.447 0.058 1.00 0.00 H new ATOM 875 N GLN A 57 19.280 -4.535 0.702 1.00 0.00 N ATOM 876 CA GLN A 57 19.433 -5.876 1.262 1.00 0.00 C ATOM 877 C GLN A 57 18.089 -6.562 1.479 1.00 0.00 C ATOM 878 O GLN A 57 17.923 -7.726 1.110 1.00 0.00 O ATOM 879 CB GLN A 57 20.183 -5.782 2.594 1.00 0.00 C ATOM 880 CG GLN A 57 20.533 -7.183 3.097 1.00 0.00 C ATOM 881 CD GLN A 57 21.313 -7.077 4.402 1.00 0.00 C ATOM 882 OE1 GLN A 57 20.864 -6.423 5.344 1.00 0.00 O ATOM 883 NE2 GLN A 57 22.465 -7.678 4.515 1.00 0.00 N ATOM 0 H GLN A 57 19.592 -3.780 1.313 1.00 0.00 H new ATOM 0 HA GLN A 57 19.997 -6.477 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.092 -5.194 2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.569 -5.265 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.623 -7.763 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.125 -7.712 2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 57 22.836 -8.220 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.994 -7.606 5.384 1.00 0.00 H new ATOM 892 N LEU A 58 17.124 -5.863 2.066 1.00 0.00 N ATOM 893 CA LEU A 58 15.823 -6.476 2.287 1.00 0.00 C ATOM 894 C LEU A 58 15.033 -6.554 0.981 1.00 0.00 C ATOM 895 O LEU A 58 14.124 -7.375 0.848 1.00 0.00 O ATOM 896 CB LEU A 58 15.017 -5.731 3.354 1.00 0.00 C ATOM 897 CG LEU A 58 15.385 -4.251 3.369 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.221 -3.676 1.967 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.455 -3.515 4.337 1.00 0.00 C ATOM 0 H LEU A 58 17.213 -4.900 2.389 1.00 0.00 H new ATOM 0 HA LEU A 58 15.999 -7.488 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.951 -5.844 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.208 -6.169 4.334 1.00 0.00 H new ATOM 0 HG LEU A 58 16.419 -4.129 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.483 -2.618 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.876 -4.207 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.186 -3.791 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.712 -2.456 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.422 -3.633 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.568 -3.931 5.338 1.00 0.00 H new ATOM 911 N VAL A 59 15.382 -5.697 0.017 1.00 0.00 N ATOM 912 CA VAL A 59 14.691 -5.692 -1.269 1.00 0.00 C ATOM 913 C VAL A 59 14.850 -7.053 -1.932 1.00 0.00 C ATOM 914 O VAL A 59 13.875 -7.655 -2.382 1.00 0.00 O ATOM 915 CB VAL A 59 15.283 -4.603 -2.170 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.620 -4.645 -3.542 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.056 -3.228 -1.539 1.00 0.00 C ATOM 0 H VAL A 59 16.129 -5.008 0.103 1.00 0.00 H new ATOM 0 HA VAL A 59 13.632 -5.487 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 59 16.353 -4.780 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.047 -3.868 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.790 -5.620 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.548 -4.477 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.479 -2.458 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.987 -3.055 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.541 -3.191 -0.563 1.00 0.00 H new ATOM 927 N GLU A 60 16.083 -7.554 -1.960 1.00 0.00 N ATOM 928 CA GLU A 60 16.337 -8.870 -2.534 1.00 0.00 C ATOM 929 C GLU A 60 15.783 -9.947 -1.608 1.00 0.00 C ATOM 930 O GLU A 60 15.326 -10.997 -2.059 1.00 0.00 O ATOM 931 CB GLU A 60 17.837 -9.078 -2.749 1.00 0.00 C ATOM 932 CG GLU A 60 18.337 -8.101 -3.815 1.00 0.00 C ATOM 933 CD GLU A 60 19.804 -8.373 -4.127 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.401 -9.172 -3.425 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.310 -7.778 -5.065 1.00 0.00 O ATOM 0 H GLU A 60 16.909 -7.077 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 60 15.839 -8.938 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.375 -8.920 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.032 -10.104 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.740 -8.202 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.215 -7.076 -3.466 1.00 0.00 H new ATOM 942 N TYR A 61 15.819 -9.666 -0.307 1.00 0.00 N ATOM 943 CA TYR A 61 15.306 -10.605 0.685 1.00 0.00 C ATOM 944 C TYR A 61 13.856 -10.940 0.371 1.00 0.00 C ATOM 945 O TYR A 61 13.440 -12.096 0.435 1.00 0.00 O ATOM 946 CB TYR A 61 15.389 -9.986 2.080 1.00 0.00 C ATOM 947 CG TYR A 61 14.986 -11.010 3.112 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.920 -11.940 3.581 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.674 -11.027 3.595 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.541 -12.892 4.537 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.292 -11.979 4.550 1.00 0.00 C ATOM 952 CZ TYR A 61 14.226 -12.912 5.022 1.00 0.00 C ATOM 953 OH TYR A 61 13.850 -13.850 5.962 1.00 0.00 O ATOM 0 H TYR A 61 16.196 -8.801 0.082 1.00 0.00 H new ATOM 0 HA TYR A 61 15.907 -11.514 0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.403 -9.638 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.736 -9.115 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.933 -11.924 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.955 -10.307 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.262 -13.610 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.278 -11.994 4.922 1.00 0.00 H new ATOM 0 HH TYR A 61 12.906 -13.723 6.191 1.00 0.00 H new ATOM 963 N TYR A 62 13.100 -9.910 0.017 1.00 0.00 N ATOM 964 CA TYR A 62 11.700 -10.072 -0.328 1.00 0.00 C ATOM 965 C TYR A 62 11.572 -10.457 -1.792 1.00 0.00 C ATOM 966 O TYR A 62 10.493 -10.367 -2.378 1.00 0.00 O ATOM 967 CB TYR A 62 10.966 -8.753 -0.085 1.00 0.00 C ATOM 968 CG TYR A 62 10.896 -8.470 1.397 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.266 -9.380 2.254 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.468 -7.301 1.912 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.203 -9.118 3.628 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.406 -7.039 3.286 1.00 0.00 C ATOM 973 CZ TYR A 62 10.775 -7.949 4.145 1.00 0.00 C ATOM 974 OH TYR A 62 10.712 -7.691 5.500 1.00 0.00 O ATOM 0 H TYR A 62 13.438 -8.949 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 62 11.264 -10.857 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.482 -7.940 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.960 -8.804 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.829 -10.284 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.957 -6.602 1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.713 -9.818 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.844 -6.136 3.684 1.00 0.00 H new ATOM 0 HH TYR A 62 11.158 -6.840 5.692 1.00 0.00 H new ATOM 984 N ARG A 63 12.693 -10.852 -2.389 1.00 0.00 N ATOM 985 CA ARG A 63 12.698 -11.212 -3.797 1.00 0.00 C ATOM 986 C ARG A 63 12.269 -9.999 -4.607 1.00 0.00 C ATOM 987 O ARG A 63 12.228 -10.022 -5.838 1.00 0.00 O ATOM 988 CB ARG A 63 11.754 -12.390 -4.041 1.00 0.00 C ATOM 989 CG ARG A 63 12.403 -13.673 -3.513 1.00 0.00 C ATOM 990 CD ARG A 63 11.508 -14.300 -2.444 1.00 0.00 C ATOM 991 NE ARG A 63 10.238 -14.714 -3.027 1.00 0.00 N ATOM 992 CZ ARG A 63 9.146 -13.971 -2.883 1.00 0.00 C ATOM 993 NH1 ARG A 63 8.823 -13.507 -1.708 1.00 0.00 N ATOM 994 NH2 ARG A 63 8.394 -13.711 -3.915 1.00 0.00 N ATOM 0 H ARG A 63 13.597 -10.929 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 63 13.699 -11.517 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.801 -12.218 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.542 -12.487 -5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.557 -14.377 -4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.384 -13.450 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.009 -15.160 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.331 -13.583 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 63 10.187 -15.586 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.409 -13.714 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.985 -12.937 -1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.644 -14.078 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.556 -13.141 -3.804 1.00 0.00 H new ATOM 1008 N LEU A 64 11.981 -8.931 -3.876 1.00 0.00 N ATOM 1009 CA LEU A 64 11.582 -7.665 -4.462 1.00 0.00 C ATOM 1010 C LEU A 64 12.750 -7.120 -5.281 1.00 0.00 C ATOM 1011 O LEU A 64 13.851 -6.952 -4.758 1.00 0.00 O ATOM 1012 CB LEU A 64 11.225 -6.715 -3.308 1.00 0.00 C ATOM 1013 CG LEU A 64 10.434 -5.500 -3.795 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.084 -4.891 -5.031 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.009 -5.921 -4.133 1.00 0.00 C ATOM 0 H LEU A 64 12.019 -8.921 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 64 10.721 -7.774 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.641 -7.253 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.139 -6.381 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 64 10.424 -4.754 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.504 -4.028 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.099 -4.575 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.114 -5.633 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.446 -5.054 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.030 -6.678 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.531 -6.332 -3.244 1.00 0.00 H new ATOM 1027 N VAL A 65 12.523 -6.872 -6.569 1.00 0.00 N ATOM 1028 CA VAL A 65 13.594 -6.377 -7.432 1.00 0.00 C ATOM 1029 C VAL A 65 13.133 -5.194 -8.282 1.00 0.00 C ATOM 1030 O VAL A 65 13.943 -4.564 -8.960 1.00 0.00 O ATOM 1031 CB VAL A 65 14.074 -7.501 -8.357 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.392 -7.094 -9.023 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.287 -8.781 -7.542 1.00 0.00 C ATOM 0 H VAL A 65 11.624 -7.003 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 65 14.408 -6.041 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 65 13.322 -7.680 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.730 -7.895 -9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.240 -6.186 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.145 -6.910 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.628 -9.579 -8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.037 -8.601 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.348 -9.074 -7.073 1.00 0.00 H new ATOM 1043 N VAL A 66 11.837 -4.897 -8.254 1.00 0.00 N ATOM 1044 CA VAL A 66 11.315 -3.793 -9.041 1.00 0.00 C ATOM 1045 C VAL A 66 10.824 -2.667 -8.145 1.00 0.00 C ATOM 1046 O VAL A 66 10.197 -2.906 -7.112 1.00 0.00 O ATOM 1047 CB VAL A 66 10.162 -4.273 -9.916 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.694 -5.205 -11.003 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.136 -5.015 -9.059 1.00 0.00 C ATOM 0 H VAL A 66 11.141 -5.399 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 66 12.124 -3.417 -9.667 1.00 0.00 H new ATOM 0 HB VAL A 66 9.684 -3.412 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.867 -5.546 -11.626 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.417 -4.670 -11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.178 -6.065 -10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.314 -5.356 -9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.611 -5.874 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.750 -4.345 -8.291 1.00 0.00 H new ATOM 1059 N THR A 67 11.097 -1.439 -8.560 1.00 0.00 N ATOM 1060 CA THR A 67 10.665 -0.279 -7.802 1.00 0.00 C ATOM 1061 C THR A 67 10.027 0.746 -8.742 1.00 0.00 C ATOM 1062 O THR A 67 10.382 0.819 -9.917 1.00 0.00 O ATOM 1063 CB THR A 67 11.856 0.342 -7.064 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.978 0.388 -7.932 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.193 -0.509 -5.836 1.00 0.00 C ATOM 0 H THR A 67 11.613 -1.223 -9.413 1.00 0.00 H new ATOM 0 HA THR A 67 9.925 -0.590 -7.065 1.00 0.00 H new ATOM 0 HB THR A 67 11.602 1.353 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.621 1.050 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.040 -0.069 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.331 -0.545 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.448 -1.520 -6.153 1.00 0.00 H new ATOM 1073 N PRO A 68 9.091 1.518 -8.258 1.00 0.00 N ATOM 1074 CA PRO A 68 8.630 1.464 -6.844 1.00 0.00 C ATOM 1075 C PRO A 68 7.759 0.240 -6.579 1.00 0.00 C ATOM 1076 O PRO A 68 7.222 -0.363 -7.506 1.00 0.00 O ATOM 1077 CB PRO A 68 7.820 2.753 -6.650 1.00 0.00 C ATOM 1078 CG PRO A 68 7.850 3.492 -7.954 1.00 0.00 C ATOM 1079 CD PRO A 68 8.356 2.526 -9.021 1.00 0.00 C ATOM 0 HA PRO A 68 9.469 1.385 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.794 2.524 -6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.248 3.361 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.856 3.858 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.502 4.363 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.533 2.082 -9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.999 3.029 -9.743 1.00 0.00 H new ATOM 1087 N ALA A 69 7.634 -0.124 -5.311 1.00 0.00 N ATOM 1088 CA ALA A 69 6.835 -1.284 -4.941 1.00 0.00 C ATOM 1089 C ALA A 69 6.208 -1.079 -3.566 1.00 0.00 C ATOM 1090 O ALA A 69 6.771 -0.394 -2.711 1.00 0.00 O ATOM 1091 CB ALA A 69 7.722 -2.530 -4.903 1.00 0.00 C ATOM 0 H ALA A 69 8.071 0.361 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 69 6.045 -1.412 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.121 -3.396 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.162 -2.693 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.516 -2.389 -4.169 1.00 0.00 H new ATOM 1097 N LEU A 70 5.045 -1.682 -3.356 1.00 0.00 N ATOM 1098 CA LEU A 70 4.359 -1.565 -2.076 1.00 0.00 C ATOM 1099 C LEU A 70 4.110 -2.956 -1.494 1.00 0.00 C ATOM 1100 O LEU A 70 3.598 -3.840 -2.181 1.00 0.00 O ATOM 1101 CB LEU A 70 3.038 -0.819 -2.268 1.00 0.00 C ATOM 1102 CG LEU A 70 2.531 -0.327 -0.919 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.376 0.650 -1.137 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.049 -1.518 -0.098 1.00 0.00 C ATOM 0 H LEU A 70 4.560 -2.252 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 70 4.981 -1.003 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.179 0.024 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.300 -1.477 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 70 3.335 0.179 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.011 1.003 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.723 1.498 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.568 0.146 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.685 -1.170 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.242 -2.023 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.875 -2.213 0.054 1.00 0.00 H new ATOM 1116 N VAL A 71 4.503 -3.159 -0.235 1.00 0.00 N ATOM 1117 CA VAL A 71 4.336 -4.469 0.394 1.00 0.00 C ATOM 1118 C VAL A 71 3.644 -4.382 1.752 1.00 0.00 C ATOM 1119 O VAL A 71 4.047 -3.609 2.622 1.00 0.00 O ATOM 1120 CB VAL A 71 5.706 -5.129 0.574 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.528 -6.535 1.154 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.414 -5.223 -0.782 1.00 0.00 C ATOM 0 H VAL A 71 4.931 -2.448 0.359 1.00 0.00 H new ATOM 0 HA VAL A 71 3.702 -5.064 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 71 6.307 -4.528 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.504 -7.002 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.029 -6.469 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.924 -7.135 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.389 -5.693 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.812 -5.821 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.546 -4.222 -1.194 1.00 0.00 H new ATOM 1132 N LYS A 72 2.624 -5.219 1.931 1.00 0.00 N ATOM 1133 CA LYS A 72 1.894 -5.281 3.194 1.00 0.00 C ATOM 1134 C LYS A 72 2.493 -6.375 4.070 1.00 0.00 C ATOM 1135 O LYS A 72 2.729 -7.489 3.602 1.00 0.00 O ATOM 1136 CB LYS A 72 0.418 -5.597 2.946 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.375 -5.361 4.234 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.588 -6.293 4.259 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.613 -5.795 5.279 1.00 0.00 C ATOM 1140 NZ LYS A 72 -3.317 -6.966 5.879 1.00 0.00 N ATOM 0 H LYS A 72 2.285 -5.863 1.217 1.00 0.00 H new ATOM 0 HA LYS A 72 1.973 -4.314 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.029 -4.967 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.306 -6.631 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.257 -5.545 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.699 -4.322 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.042 -6.339 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.273 -7.305 4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.117 -5.216 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.331 -5.132 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.335 -6.763 5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.168 -7.804 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.939 -7.148 6.831 1.00 0.00 H new ATOM 1154 N ILE A 73 2.738 -6.066 5.335 1.00 0.00 N ATOM 1155 CA ILE A 73 3.307 -7.060 6.238 1.00 0.00 C ATOM 1156 C ILE A 73 2.263 -7.593 7.216 1.00 0.00 C ATOM 1157 O ILE A 73 2.438 -8.674 7.779 1.00 0.00 O ATOM 1158 CB ILE A 73 4.498 -6.479 7.002 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.323 -4.965 7.166 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.789 -6.773 6.234 1.00 0.00 C ATOM 1161 CD1 ILE A 73 4.992 -4.237 5.997 1.00 0.00 C ATOM 0 H ILE A 73 2.557 -5.154 5.755 1.00 0.00 H new ATOM 0 HA ILE A 73 3.653 -7.894 5.628 1.00 0.00 H new ATOM 0 HB ILE A 73 4.552 -6.938 7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.263 -4.714 7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.762 -4.639 8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.638 -6.359 6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.914 -7.851 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.735 -6.318 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.865 -3.161 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.055 -4.477 5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.533 -4.554 5.061 1.00 0.00 H new ATOM 1173 N GLY A 74 1.171 -6.853 7.414 1.00 0.00 N ATOM 1174 CA GLY A 74 0.132 -7.318 8.328 1.00 0.00 C ATOM 1175 C GLY A 74 -0.537 -6.162 9.067 1.00 0.00 C ATOM 1176 O GLY A 74 -0.273 -4.993 8.785 1.00 0.00 O ATOM 0 H GLY A 74 0.987 -5.955 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.620 -7.875 7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.567 -8.008 9.051 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.403 -6.475 10.000 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.735 -7.884 10.356 1.00 0.00 C ATOM 1182 C PRO A 75 -2.421 -8.618 9.208 1.00 0.00 C ATOM 1183 O PRO A 75 -3.018 -8.001 8.328 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.664 -7.786 11.572 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.827 -6.334 11.901 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.153 -5.506 10.804 1.00 0.00 C ATOM 0 HA PRO A 75 -0.832 -8.456 10.571 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.631 -8.240 11.353 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.243 -8.326 12.420 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.884 -6.079 11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.380 -6.113 12.870 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.891 -4.979 10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.492 -4.751 11.230 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.318 -9.940 9.220 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.918 -10.753 8.172 1.00 0.00 C ATOM 1196 C GLY A 76 -1.849 -11.255 7.207 1.00 0.00 C ATOM 1197 O GLY A 76 -0.659 -11.216 7.513 1.00 0.00 O ATOM 0 H GLY A 76 -1.827 -10.470 9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.442 -11.599 8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.660 -10.167 7.629 1.00 0.00 H new ATOM 1201 N SER A 77 -2.282 -11.736 6.048 1.00 0.00 N ATOM 1202 CA SER A 77 -1.348 -12.255 5.055 1.00 0.00 C ATOM 1203 C SER A 77 -0.468 -11.151 4.481 1.00 0.00 C ATOM 1204 O SER A 77 -0.813 -9.970 4.525 1.00 0.00 O ATOM 1205 CB SER A 77 -2.110 -12.928 3.919 1.00 0.00 C ATOM 1206 OG SER A 77 -1.264 -13.027 2.782 1.00 0.00 O ATOM 0 H SER A 77 -3.264 -11.778 5.774 1.00 0.00 H new ATOM 0 HA SER A 77 -0.708 -12.981 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.443 -13.919 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.003 -12.353 3.674 1.00 0.00 H new ATOM 0 HG SER A 77 -1.750 -13.461 2.050 1.00 0.00 H new ATOM 1212 N ARG A 78 0.671 -11.561 3.935 1.00 0.00 N ATOM 1213 CA ARG A 78 1.619 -10.626 3.333 1.00 0.00 C ATOM 1214 C ARG A 78 1.330 -10.465 1.843 1.00 0.00 C ATOM 1215 O ARG A 78 0.945 -11.423 1.170 1.00 0.00 O ATOM 1216 CB ARG A 78 3.047 -11.147 3.517 1.00 0.00 C ATOM 1217 CG ARG A 78 4.043 -10.158 2.905 1.00 0.00 C ATOM 1218 CD ARG A 78 5.411 -10.832 2.775 1.00 0.00 C ATOM 1219 NE ARG A 78 5.338 -11.922 1.807 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.430 -12.570 1.417 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.375 -11.933 0.782 1.00 0.00 N ATOM 1222 NH2 ARG A 78 6.552 -13.847 1.662 1.00 0.00 N ATOM 0 H ARG A 78 0.963 -12.538 3.896 1.00 0.00 H new ATOM 0 HA ARG A 78 1.514 -9.659 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.260 -11.283 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.152 -12.123 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.692 -9.830 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.121 -9.269 3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.157 -10.103 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.731 -11.215 3.744 1.00 0.00 H new ATOM 0 HE ARG A 78 4.432 -12.191 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.275 -10.937 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.213 -12.431 0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.809 -14.345 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.390 -14.346 1.363 1.00 0.00 H new ATOM 1236 N GLN A 79 1.524 -9.256 1.325 1.00 0.00 N ATOM 1237 CA GLN A 79 1.282 -9.001 -0.091 1.00 0.00 C ATOM 1238 C GLN A 79 2.384 -8.134 -0.684 1.00 0.00 C ATOM 1239 O GLN A 79 2.993 -7.317 0.011 1.00 0.00 O ATOM 1240 CB GLN A 79 -0.063 -8.298 -0.282 1.00 0.00 C ATOM 1241 CG GLN A 79 -1.183 -9.197 0.235 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.336 -10.414 -0.673 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -0.849 -10.381 -1.884 1.00 0.00 O flip ATOM 1244 NE2 GLN A 79 -1.914 -11.422 -0.268 1.00 0.00 N flip ATOM 0 H GLN A 79 1.844 -8.447 1.857 1.00 0.00 H new ATOM 0 HA GLN A 79 1.270 -9.962 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.068 -7.348 0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.221 -8.072 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.962 -9.518 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.120 -8.641 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.294 -11.446 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.013 -12.233 -0.879 1.00 0.00 H new ATOM 1253 N VAL A 80 2.626 -8.311 -1.977 1.00 0.00 N ATOM 1254 CA VAL A 80 3.648 -7.536 -2.665 1.00 0.00 C ATOM 1255 C VAL A 80 3.055 -6.873 -3.901 1.00 0.00 C ATOM 1256 O VAL A 80 2.592 -7.552 -4.817 1.00 0.00 O ATOM 1257 CB VAL A 80 4.801 -8.452 -3.081 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.930 -7.616 -3.689 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.327 -9.205 -1.856 1.00 0.00 C ATOM 0 H VAL A 80 2.131 -8.980 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 80 4.022 -6.767 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 80 4.442 -9.168 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.750 -8.271 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.558 -7.084 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.288 -6.897 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.148 -9.857 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.683 -8.490 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.525 -9.805 -1.426 1.00 0.00 H new ATOM 1269 N LEU A 81 3.078 -5.545 -3.925 1.00 0.00 N ATOM 1270 CA LEU A 81 2.545 -4.807 -5.063 1.00 0.00 C ATOM 1271 C LEU A 81 3.663 -4.009 -5.720 1.00 0.00 C ATOM 1272 O LEU A 81 4.400 -3.299 -5.040 1.00 0.00 O ATOM 1273 CB LEU A 81 1.452 -3.853 -4.591 1.00 0.00 C ATOM 1274 CG LEU A 81 0.603 -4.541 -3.521 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.463 -3.570 -3.020 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.079 -5.776 -4.113 1.00 0.00 C ATOM 0 H LEU A 81 3.456 -4.963 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 81 2.126 -5.510 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.897 -2.943 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.826 -3.556 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 81 1.245 -4.845 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.070 -4.058 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.018 -2.690 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.100 -3.268 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.682 -6.261 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.720 -5.476 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.678 -6.472 -4.474 1.00 0.00 H new ATOM 1288 N SER A 82 3.796 -4.125 -7.034 1.00 0.00 N ATOM 1289 CA SER A 82 4.846 -3.392 -7.727 1.00 0.00 C ATOM 1290 C SER A 82 4.535 -3.212 -9.199 1.00 0.00 C ATOM 1291 O SER A 82 3.649 -3.864 -9.754 1.00 0.00 O ATOM 1292 CB SER A 82 6.181 -4.118 -7.592 1.00 0.00 C ATOM 1293 OG SER A 82 7.170 -3.422 -8.338 1.00 0.00 O ATOM 0 H SER A 82 3.205 -4.705 -7.630 1.00 0.00 H new ATOM 0 HA SER A 82 4.905 -2.408 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.473 -4.175 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.090 -5.142 -7.954 1.00 0.00 H new ATOM 0 HG SER A 82 7.265 -2.512 -7.987 1.00 0.00 H new ATOM 1299 N GLY A 83 5.299 -2.331 -9.824 1.00 0.00 N ATOM 1300 CA GLY A 83 5.141 -2.061 -11.251 1.00 0.00 C ATOM 1301 C GLY A 83 4.121 -0.954 -11.504 1.00 0.00 C ATOM 1302 O GLY A 83 3.151 -1.146 -12.236 1.00 0.00 O ATOM 0 H GLY A 83 6.035 -1.789 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.103 -1.774 -11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.825 -2.971 -11.761 1.00 0.00 H new ATOM 1306 N ILE A 84 4.355 0.201 -10.890 1.00 0.00 N ATOM 1307 CA ILE A 84 3.464 1.355 -11.036 1.00 0.00 C ATOM 1308 C ILE A 84 1.991 0.949 -10.976 1.00 0.00 C ATOM 1309 O ILE A 84 1.103 1.785 -11.146 1.00 0.00 O ATOM 1310 CB ILE A 84 3.752 2.077 -12.357 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.240 1.245 -13.540 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.260 2.272 -12.501 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.328 2.074 -14.821 1.00 0.00 C ATOM 0 H ILE A 84 5.158 0.367 -10.283 1.00 0.00 H new ATOM 0 HA ILE A 84 3.657 2.028 -10.200 1.00 0.00 H new ATOM 0 HB ILE A 84 3.245 3.042 -12.353 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.831 0.335 -13.642 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.209 0.937 -13.363 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.473 2.785 -13.439 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.631 2.870 -11.668 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.754 1.301 -12.499 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.964 1.484 -15.662 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.718 2.971 -14.717 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.365 2.359 -14.999 1.00 0.00 H new ATOM 1325 N ASP A 85 1.738 -0.325 -10.719 1.00 0.00 N ATOM 1326 CA ASP A 85 0.369 -0.818 -10.621 1.00 0.00 C ATOM 1327 C ASP A 85 -0.044 -0.870 -9.158 1.00 0.00 C ATOM 1328 O ASP A 85 -1.074 -1.442 -8.805 1.00 0.00 O ATOM 1329 CB ASP A 85 0.267 -2.214 -11.234 1.00 0.00 C ATOM 1330 CG ASP A 85 1.137 -3.189 -10.447 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.611 -2.807 -9.390 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.320 -4.299 -10.917 1.00 0.00 O ATOM 0 H ASP A 85 2.457 -1.034 -10.575 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.294 -0.145 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.770 -2.550 -11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.586 -2.188 -12.276 1.00 0.00 H new ATOM 1337 N LEU A 86 0.786 -0.271 -8.316 1.00 0.00 N ATOM 1338 CA LEU A 86 0.539 -0.243 -6.885 1.00 0.00 C ATOM 1339 C LEU A 86 -0.885 0.208 -6.578 1.00 0.00 C ATOM 1340 O LEU A 86 -1.563 -0.382 -5.736 1.00 0.00 O ATOM 1341 CB LEU A 86 1.533 0.707 -6.217 1.00 0.00 C ATOM 1342 CG LEU A 86 2.910 0.044 -6.140 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.516 -0.060 -7.542 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.832 0.888 -5.257 1.00 0.00 C ATOM 0 H LEU A 86 1.641 0.205 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 86 0.667 -1.253 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.598 1.637 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.187 0.966 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 86 2.803 -0.954 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.496 -0.533 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.863 -0.659 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.621 0.938 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.813 0.417 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.932 1.886 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.408 0.963 -4.256 1.00 0.00 H new ATOM 1356 N THR A 87 -1.328 1.266 -7.249 1.00 0.00 N ATOM 1357 CA THR A 87 -2.668 1.790 -7.016 1.00 0.00 C ATOM 1358 C THR A 87 -3.743 0.822 -7.495 1.00 0.00 C ATOM 1359 O THR A 87 -4.751 0.624 -6.815 1.00 0.00 O ATOM 1360 CB THR A 87 -2.839 3.133 -7.729 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.765 2.932 -9.134 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.732 4.095 -7.290 1.00 0.00 C ATOM 0 H THR A 87 -0.786 1.772 -7.950 1.00 0.00 H new ATOM 0 HA THR A 87 -2.785 1.924 -5.941 1.00 0.00 H new ATOM 0 HB THR A 87 -3.808 3.560 -7.471 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.876 3.790 -9.594 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.857 5.050 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.790 4.248 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.760 3.672 -7.545 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.535 0.218 -8.659 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.512 -0.718 -9.186 1.00 0.00 C ATOM 1372 C ASP A 88 -4.516 -1.989 -8.350 1.00 0.00 C ATOM 1373 O ASP A 88 -5.574 -2.506 -7.989 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.175 -1.054 -10.636 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.363 0.178 -11.514 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.969 1.127 -11.045 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.900 0.154 -12.642 1.00 0.00 O ATOM 0 H ASP A 88 -2.712 0.358 -9.245 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.501 -0.262 -9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.146 -1.407 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.815 -1.863 -10.989 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.325 -2.476 -8.031 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.198 -3.676 -7.221 1.00 0.00 C ATOM 1384 C GLN A 89 -3.643 -3.390 -5.787 1.00 0.00 C ATOM 1385 O GLN A 89 -4.412 -4.152 -5.207 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.747 -4.156 -7.234 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.712 -5.685 -7.272 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.267 -6.167 -7.268 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.061 -7.155 -6.611 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.623 -5.519 -7.969 1.00 0.00 N ATOM 0 H GLN A 89 -2.439 -2.061 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.835 -4.456 -7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.227 -3.749 -8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.225 -3.792 -6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.243 -6.092 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.224 -6.048 -8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.347 -4.701 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.594 -5.831 -7.974 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.161 -2.283 -5.219 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.535 -1.921 -3.854 1.00 0.00 C ATOM 1401 C LEU A 90 -5.045 -1.762 -3.733 1.00 0.00 C ATOM 1402 O LEU A 90 -5.658 -2.255 -2.788 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.848 -0.620 -3.445 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.286 -0.236 -2.031 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.719 -1.240 -1.025 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.761 1.164 -1.710 1.00 0.00 C ATOM 0 H LEU A 90 -2.522 -1.632 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.212 -2.723 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.765 -0.741 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.104 0.175 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.374 -0.245 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.033 -0.963 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.089 -2.238 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.630 -1.235 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.069 1.446 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.673 1.167 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.167 1.878 -2.427 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.638 -1.067 -4.696 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.079 -0.847 -4.687 1.00 0.00 C ATOM 1420 C ALA A 91 -7.822 -2.177 -4.658 1.00 0.00 C ATOM 1421 O ALA A 91 -8.812 -2.330 -3.946 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.494 -0.059 -5.929 1.00 0.00 C ATOM 0 H ALA A 91 -5.148 -0.649 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.335 -0.279 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.572 0.101 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.984 0.904 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.222 -0.620 -6.823 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.337 -3.132 -5.443 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.956 -4.447 -5.504 1.00 0.00 C ATOM 1430 C ASN A 92 -7.483 -5.324 -4.351 1.00 0.00 C ATOM 1431 O ASN A 92 -8.248 -6.117 -3.801 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.604 -5.115 -6.830 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.341 -4.428 -7.974 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.193 -3.572 -7.737 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -8.073 -4.762 -9.206 1.00 0.00 N ATOM 0 H ASN A 92 -6.520 -3.019 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.036 -4.325 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.528 -5.064 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.872 -6.171 -6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.570 -4.313 -9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.366 -5.472 -9.400 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.213 -5.180 -4.000 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.625 -5.964 -2.922 1.00 0.00 C ATOM 1444 C GLN A 93 -6.071 -5.454 -1.559 1.00 0.00 C ATOM 1445 O GLN A 93 -6.253 -6.233 -0.622 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.102 -5.890 -3.010 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.622 -6.686 -4.222 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.955 -8.157 -4.033 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.568 -8.800 -4.984 1.00 0.00 O flip ATOM 1450 NE2 GLN A 93 -3.651 -8.735 -2.991 1.00 0.00 N flip ATOM 0 H GLN A 93 -5.569 -4.527 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.961 -6.995 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.782 -4.851 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.655 -6.289 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.097 -6.309 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.547 -6.560 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.171 -8.228 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.879 -9.722 -2.870 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.235 -4.144 -1.451 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.648 -3.545 -0.193 1.00 0.00 C ATOM 1461 C LEU A 94 -7.915 -4.226 0.338 1.00 0.00 C ATOM 1462 O LEU A 94 -7.898 -4.805 1.425 1.00 0.00 O ATOM 1463 CB LEU A 94 -6.856 -2.039 -0.387 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.681 -1.465 0.767 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -6.940 -1.689 2.087 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.879 0.037 0.548 1.00 0.00 C ATOM 0 H LEU A 94 -6.090 -3.481 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.866 -3.691 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.891 -1.535 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.364 -1.854 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.650 -1.963 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.528 -1.280 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.791 -2.757 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.972 -1.190 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.466 0.450 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.908 0.531 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.404 0.201 -0.393 1.00 0.00 H new ATOM 1478 N PRO A 95 -8.997 -4.191 -0.403 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.273 -4.843 0.015 1.00 0.00 C ATOM 1480 C PRO A 95 -10.049 -6.278 0.491 1.00 0.00 C ATOM 1481 O PRO A 95 -10.623 -6.705 1.493 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.142 -4.844 -1.253 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.331 -4.216 -2.344 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.137 -3.523 -1.697 1.00 0.00 C ATOM 0 HA PRO A 95 -10.732 -4.314 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.429 -5.861 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.064 -4.286 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.995 -4.972 -3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.932 -3.499 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.237 -3.632 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.313 -2.454 -1.577 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.211 -7.016 -0.234 1.00 0.00 N ATOM 1493 CA GLN A 96 -8.919 -8.402 0.122 1.00 0.00 C ATOM 1494 C GLN A 96 -8.301 -8.479 1.510 1.00 0.00 C ATOM 1495 O GLN A 96 -8.519 -9.441 2.246 1.00 0.00 O ATOM 1496 CB GLN A 96 -7.952 -9.022 -0.890 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.610 -9.070 -2.268 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.728 -9.854 -3.235 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.555 -9.528 -3.413 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.225 -10.883 -3.865 1.00 0.00 N ATOM 0 H GLN A 96 -8.725 -6.680 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.858 -8.955 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.033 -8.437 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.675 -10.027 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.592 -9.538 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.766 -8.058 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.198 -11.151 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.641 -11.419 -4.507 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.519 -7.467 1.855 1.00 0.00 N ATOM 1510 CA TRP A 97 -6.864 -7.438 3.154 1.00 0.00 C ATOM 1511 C TRP A 97 -7.898 -7.364 4.270 1.00 0.00 C ATOM 1512 O TRP A 97 -7.788 -8.064 5.274 1.00 0.00 O ATOM 1513 CB TRP A 97 -5.923 -6.239 3.230 1.00 0.00 C ATOM 1514 CG TRP A 97 -4.942 -6.314 2.102 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.846 -7.338 1.223 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -3.927 -5.347 1.717 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.833 -7.059 0.320 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.236 -5.842 0.585 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.541 -4.101 2.237 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.198 -5.122 -0.010 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.499 -3.374 1.643 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.829 -3.884 0.521 1.00 0.00 C ATOM 0 H TRP A 97 -7.324 -6.662 1.260 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.287 -8.355 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.491 -5.311 3.173 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.398 -6.233 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.459 -8.227 1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.562 -7.676 -0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.050 -3.700 3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.685 -5.519 -0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.211 -2.417 2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.028 -3.319 0.068 1.00 0.00 H new ATOM 1533 N LEU A 98 -8.913 -6.528 4.083 1.00 0.00 N ATOM 1534 CA LEU A 98 -9.965 -6.402 5.077 1.00 0.00 C ATOM 1535 C LEU A 98 -10.747 -7.704 5.166 1.00 0.00 C ATOM 1536 O LEU A 98 -11.171 -8.121 6.244 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.915 -5.270 4.682 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.139 -3.957 4.578 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.093 -2.830 4.174 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.517 -3.632 5.937 1.00 0.00 C ATOM 0 H LEU A 98 -9.027 -5.935 3.261 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.515 -6.180 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.391 -5.498 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.711 -5.176 5.421 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.354 -4.054 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.540 -1.894 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.543 -3.063 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.877 -2.730 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.962 -2.696 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.305 -3.533 6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.840 -4.435 6.229 1.00 0.00 H new ATOM 1552 N VAL A 99 -10.937 -8.336 4.014 1.00 0.00 N ATOM 1553 CA VAL A 99 -11.675 -9.590 3.940 1.00 0.00 C ATOM 1554 C VAL A 99 -10.923 -10.716 4.641 1.00 0.00 C ATOM 1555 O VAL A 99 -11.493 -11.445 5.452 1.00 0.00 O ATOM 1556 CB VAL A 99 -11.900 -9.955 2.476 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -12.513 -11.350 2.388 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -12.845 -8.935 1.838 1.00 0.00 C ATOM 0 H VAL A 99 -10.589 -7.999 3.116 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.632 -9.459 4.444 1.00 0.00 H new ATOM 0 HB VAL A 99 -10.947 -9.946 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.674 -11.611 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.837 -12.074 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.467 -11.362 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.007 -9.194 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -13.799 -8.943 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.403 -7.940 1.901 1.00 0.00 H new ATOM 1568 N GLN A 100 -9.641 -10.846 4.328 1.00 0.00 N ATOM 1569 CA GLN A 100 -8.814 -11.882 4.941 1.00 0.00 C ATOM 1570 C GLN A 100 -9.322 -13.278 4.590 1.00 0.00 C ATOM 1571 O GLN A 100 -9.309 -14.177 5.431 1.00 0.00 O ATOM 1572 CB GLN A 100 -8.820 -11.708 6.460 1.00 0.00 C ATOM 1573 CG GLN A 100 -8.304 -10.314 6.808 1.00 0.00 C ATOM 1574 CD GLN A 100 -8.275 -10.125 8.322 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -7.521 -10.803 9.019 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -9.057 -9.236 8.873 1.00 0.00 N ATOM 0 H GLN A 100 -9.152 -10.253 3.658 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.800 -11.779 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.829 -11.843 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.194 -12.468 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.304 -10.176 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.943 -9.558 6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.681 -8.676 8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.044 -9.102 9.884 1.00 0.00 H new ATOM 1585 N GLN A 101 -9.757 -13.465 3.348 1.00 0.00 N ATOM 1586 CA GLN A 101 -10.249 -14.770 2.919 1.00 0.00 C ATOM 1587 C GLN A 101 -9.948 -14.988 1.440 1.00 0.00 C ATOM 1588 O GLN A 101 -8.856 -15.429 1.079 1.00 0.00 O ATOM 1589 CB GLN A 101 -11.758 -14.883 3.165 1.00 0.00 C ATOM 1590 CG GLN A 101 -12.057 -14.608 4.641 1.00 0.00 C ATOM 1591 CD GLN A 101 -13.556 -14.707 4.906 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -14.360 -14.625 3.976 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -13.983 -14.881 6.128 1.00 0.00 N ATOM 0 H GLN A 101 -9.779 -12.741 2.630 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.740 -15.537 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -12.294 -14.172 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -12.108 -15.878 2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.522 -15.323 5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -11.698 -13.615 4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.316 -14.949 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.984 -14.949 6.314 1.00 0.00 H new ATOM 1602 N GLU A 102 -10.922 -14.674 0.589 1.00 0.00 N ATOM 1603 CA GLU A 102 -10.758 -14.836 -0.854 1.00 0.00 C ATOM 1604 C GLU A 102 -9.723 -15.914 -1.163 1.00 0.00 C ATOM 1605 O GLU A 102 -9.583 -16.883 -0.417 1.00 0.00 O ATOM 1606 CB GLU A 102 -10.330 -13.509 -1.486 1.00 0.00 C ATOM 1607 CG GLU A 102 -11.473 -12.500 -1.373 1.00 0.00 C ATOM 1608 CD GLU A 102 -12.693 -13.012 -2.131 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -12.512 -13.813 -3.035 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -13.790 -12.594 -1.803 1.00 0.00 O ATOM 0 H GLU A 102 -11.831 -14.307 0.872 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.715 -15.143 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.441 -13.125 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.066 -13.660 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.726 -12.340 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.161 -11.537 -1.777 1.00 0.00 H new ATOM 1617 N GLY A 103 -9.009 -15.748 -2.273 1.00 0.00 N ATOM 1618 CA GLY A 103 -8.001 -16.723 -2.669 1.00 0.00 C ATOM 1619 C GLY A 103 -8.658 -18.043 -3.045 1.00 0.00 C ATOM 1620 O GLY A 103 -9.423 -18.611 -2.266 1.00 0.00 O ATOM 0 H GLY A 103 -9.109 -14.956 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.429 -16.341 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.297 -16.880 -1.852 1.00 0.00 H new ATOM 1624 N ILE A 104 -8.358 -18.526 -4.244 1.00 0.00 N ATOM 1625 CA ILE A 104 -8.932 -19.779 -4.708 1.00 0.00 C ATOM 1626 C ILE A 104 -7.904 -20.900 -4.613 1.00 0.00 C ATOM 1627 O ILE A 104 -6.741 -20.720 -4.969 1.00 0.00 O ATOM 1628 CB ILE A 104 -9.401 -19.634 -6.155 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -10.371 -18.454 -6.261 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -10.117 -20.915 -6.583 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -10.767 -18.255 -7.724 1.00 0.00 C ATOM 0 H ILE A 104 -7.727 -18.074 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 104 -9.785 -20.026 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.541 -19.459 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -11.257 -18.641 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -9.904 -17.549 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -10.454 -20.816 -7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.431 -21.759 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.977 -21.085 -5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -11.458 -17.415 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -9.876 -18.049 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -11.250 -19.158 -8.096 1.00 0.00 H new ATOM 1643 N PHE A 105 -8.343 -22.051 -4.121 1.00 0.00 N ATOM 1644 CA PHE A 105 -7.454 -23.197 -3.973 1.00 0.00 C ATOM 1645 C PHE A 105 -6.487 -23.279 -5.151 1.00 0.00 C ATOM 1646 O PHE A 105 -6.949 -23.517 -6.256 1.00 0.00 O ATOM 1647 CB PHE A 105 -8.277 -24.484 -3.892 1.00 0.00 C ATOM 1648 CG PHE A 105 -7.404 -25.615 -3.404 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -7.267 -25.843 -2.031 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -6.734 -26.434 -4.320 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -6.463 -26.890 -1.570 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -5.928 -27.483 -3.860 1.00 0.00 C ATOM 1653 CZ PHE A 105 -5.793 -27.711 -2.485 1.00 0.00 C ATOM 1654 OXT PHE A 105 -5.300 -23.102 -4.932 1.00 0.00 O ATOM 0 H PHE A 105 -9.303 -22.216 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.879 -23.075 -3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -9.121 -24.346 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.689 -24.726 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.783 -25.209 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.838 -26.257 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.359 -27.065 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.411 -28.116 -4.566 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.172 -28.520 -2.130 1.00 0.00 H new TER 1664 PHE A 105