USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 678 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 21 GLN : amide:sc= -2.49! C(o=-2.5!,f=-1.7!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.134 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.00755 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -120:sc= 0 USER MOD Single : A 9 SER OG : rot 66:sc= 1.22 USER MOD Single : A 14 TYR OH : rot 15:sc= -1.1 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.76) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -0.282 (180deg=-2.31) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -149:sc= -0.0302 (180deg=-0.721) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.36 K(o=-3.4,f=-2.3) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 61 ASN : amide:sc= -1.1 K(o=-1.1,f=-16!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.184 USER MOD Single : A 77 ASN : amide:sc= -0.235 K(o=-0.23,f=-0.81!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00895 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.924 4.476 13.894 1.00 0.00 N ATOM 2 CA GLY A 1 -11.858 4.681 12.457 1.00 0.00 C ATOM 3 C GLY A 1 -11.585 3.364 11.726 1.00 0.00 C ATOM 4 O GLY A 1 -11.306 2.347 12.358 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.881 4.700 14.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.703 3.484 14.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.235 5.097 14.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.796 5.109 12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.072 5.400 12.224 1.00 0.00 H new ATOM 8 N SER A 2 -11.675 3.427 10.406 1.00 0.00 N ATOM 9 CA SER A 2 -11.441 2.253 9.583 1.00 0.00 C ATOM 10 C SER A 2 -10.777 2.660 8.266 1.00 0.00 C ATOM 11 O SER A 2 -10.850 3.820 7.863 1.00 0.00 O ATOM 12 CB SER A 2 -12.746 1.503 9.310 1.00 0.00 C ATOM 13 OG SER A 2 -13.025 0.533 10.316 1.00 0.00 O ATOM 0 H SER A 2 -11.907 4.273 9.886 1.00 0.00 H new ATOM 0 HA SER A 2 -10.775 1.583 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.569 2.216 9.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.685 1.011 8.339 1.00 0.00 H new ATOM 0 HG SER A 2 -12.643 0.827 11.169 1.00 0.00 H new ATOM 19 N SER A 3 -10.145 1.684 7.632 1.00 0.00 N ATOM 20 CA SER A 3 -9.468 1.926 6.369 1.00 0.00 C ATOM 21 C SER A 3 -10.421 2.614 5.389 1.00 0.00 C ATOM 22 O SER A 3 -10.130 3.701 4.894 1.00 0.00 O ATOM 23 CB SER A 3 -8.939 0.622 5.769 1.00 0.00 C ATOM 24 OG SER A 3 -9.967 -0.353 5.619 1.00 0.00 O ATOM 0 H SER A 3 -10.087 0.723 7.969 1.00 0.00 H new ATOM 0 HA SER A 3 -8.616 2.579 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.489 0.826 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.151 0.223 6.408 1.00 0.00 H new ATOM 0 HG SER A 3 -9.589 -1.170 5.231 1.00 0.00 H new ATOM 30 N GLY A 4 -11.540 1.951 5.138 1.00 0.00 N ATOM 31 CA GLY A 4 -12.538 2.484 4.226 1.00 0.00 C ATOM 32 C GLY A 4 -12.757 3.979 4.467 1.00 0.00 C ATOM 33 O GLY A 4 -12.461 4.802 3.602 1.00 0.00 O ATOM 0 H GLY A 4 -11.778 1.049 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.219 2.321 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.479 1.949 4.357 1.00 0.00 H new ATOM 37 N SER A 5 -13.276 4.285 5.648 1.00 0.00 N ATOM 38 CA SER A 5 -13.539 5.667 6.014 1.00 0.00 C ATOM 39 C SER A 5 -12.333 6.540 5.661 1.00 0.00 C ATOM 40 O SER A 5 -12.489 7.620 5.092 1.00 0.00 O ATOM 41 CB SER A 5 -13.865 5.789 7.504 1.00 0.00 C ATOM 42 OG SER A 5 -15.203 5.394 7.791 1.00 0.00 O ATOM 0 H SER A 5 -13.521 3.600 6.363 1.00 0.00 H new ATOM 0 HA SER A 5 -14.406 6.012 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.174 5.172 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.714 6.820 7.825 1.00 0.00 H new ATOM 0 HG SER A 5 -15.372 5.484 8.752 1.00 0.00 H new ATOM 48 N SER A 6 -11.157 6.041 6.013 1.00 0.00 N ATOM 49 CA SER A 6 -9.926 6.762 5.741 1.00 0.00 C ATOM 50 C SER A 6 -9.754 6.953 4.232 1.00 0.00 C ATOM 51 O SER A 6 -9.544 8.071 3.764 1.00 0.00 O ATOM 52 CB SER A 6 -8.717 6.029 6.325 1.00 0.00 C ATOM 53 OG SER A 6 -7.492 6.481 5.755 1.00 0.00 O ATOM 0 H SER A 6 -11.031 5.145 6.485 1.00 0.00 H new ATOM 0 HA SER A 6 -9.989 7.739 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.691 6.176 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.824 4.958 6.152 1.00 0.00 H new ATOM 0 HG SER A 6 -7.038 5.730 5.318 1.00 0.00 H new ATOM 59 N GLY A 7 -9.849 5.844 3.514 1.00 0.00 N ATOM 60 CA GLY A 7 -9.706 5.874 2.068 1.00 0.00 C ATOM 61 C GLY A 7 -10.546 6.998 1.458 1.00 0.00 C ATOM 62 O GLY A 7 -10.126 7.641 0.497 1.00 0.00 O ATOM 0 H GLY A 7 -10.023 4.919 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.658 6.015 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.014 4.916 1.648 1.00 0.00 H new ATOM 66 N ALA A 8 -11.719 7.200 2.041 1.00 0.00 N ATOM 67 CA ALA A 8 -12.622 8.235 1.567 1.00 0.00 C ATOM 68 C ALA A 8 -12.124 9.600 2.047 1.00 0.00 C ATOM 69 O ALA A 8 -12.334 10.611 1.379 1.00 0.00 O ATOM 70 CB ALA A 8 -14.043 7.932 2.046 1.00 0.00 C ATOM 0 H ALA A 8 -12.065 6.664 2.837 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.643 8.256 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.720 8.709 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.361 6.966 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.062 7.905 3.136 1.00 0.00 H new ATOM 76 N SER A 9 -11.473 9.584 3.201 1.00 0.00 N ATOM 77 CA SER A 9 -10.943 10.808 3.778 1.00 0.00 C ATOM 78 C SER A 9 -9.726 11.279 2.980 1.00 0.00 C ATOM 79 O SER A 9 -9.508 12.479 2.823 1.00 0.00 O ATOM 80 CB SER A 9 -10.570 10.607 5.248 1.00 0.00 C ATOM 81 OG SER A 9 -11.657 10.088 6.009 1.00 0.00 O ATOM 0 H SER A 9 -11.301 8.743 3.752 1.00 0.00 H new ATOM 0 HA SER A 9 -11.718 11.573 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.722 9.926 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.251 11.558 5.674 1.00 0.00 H new ATOM 0 HG SER A 9 -11.868 9.182 5.701 1.00 0.00 H new ATOM 87 N LEU A 10 -8.963 10.308 2.498 1.00 0.00 N ATOM 88 CA LEU A 10 -7.773 10.608 1.720 1.00 0.00 C ATOM 89 C LEU A 10 -8.125 11.616 0.625 1.00 0.00 C ATOM 90 O LEU A 10 -7.272 12.386 0.187 1.00 0.00 O ATOM 91 CB LEU A 10 -7.141 9.320 1.190 1.00 0.00 C ATOM 92 CG LEU A 10 -6.679 8.315 2.247 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.389 6.951 1.617 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.478 8.853 3.027 1.00 0.00 C ATOM 0 H LEU A 10 -9.146 9.313 2.631 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.014 11.073 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.862 8.826 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.284 9.587 0.572 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.490 8.174 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.062 6.255 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.294 6.569 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.604 7.056 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.170 8.119 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.653 9.042 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.755 9.782 3.526 1.00 0.00 H new ATOM 106 N LEU A 11 -9.384 11.580 0.214 1.00 0.00 N ATOM 107 CA LEU A 11 -9.860 12.481 -0.822 1.00 0.00 C ATOM 108 C LEU A 11 -9.894 13.909 -0.273 1.00 0.00 C ATOM 109 O LEU A 11 -9.590 14.861 -0.991 1.00 0.00 O ATOM 110 CB LEU A 11 -11.204 12.002 -1.373 1.00 0.00 C ATOM 111 CG LEU A 11 -11.191 10.651 -2.093 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.689 9.542 -1.167 1.00 0.00 C ATOM 113 CD2 LEU A 11 -12.567 10.330 -2.680 1.00 0.00 C ATOM 0 H LEU A 11 -10.089 10.941 0.580 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.176 12.481 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.913 11.944 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.580 12.756 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.492 10.714 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.690 8.593 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.676 9.773 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.344 9.469 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.531 9.365 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.305 10.292 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.847 11.104 -3.394 1.00 0.00 H new ATOM 125 N ALA A 12 -10.268 14.013 0.993 1.00 0.00 N ATOM 126 CA ALA A 12 -10.345 15.309 1.646 1.00 0.00 C ATOM 127 C ALA A 12 -8.963 15.691 2.178 1.00 0.00 C ATOM 128 O ALA A 12 -8.563 16.852 2.100 1.00 0.00 O ATOM 129 CB ALA A 12 -11.403 15.261 2.752 1.00 0.00 C ATOM 0 H ALA A 12 -10.521 13.221 1.584 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.649 16.079 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.461 16.233 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.372 15.015 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.130 14.501 3.484 1.00 0.00 H new ATOM 135 N ARG A 13 -8.271 14.693 2.708 1.00 0.00 N ATOM 136 CA ARG A 13 -6.941 14.910 3.252 1.00 0.00 C ATOM 137 C ARG A 13 -5.974 15.323 2.141 1.00 0.00 C ATOM 138 O ARG A 13 -5.338 16.373 2.226 1.00 0.00 O ATOM 139 CB ARG A 13 -6.413 13.647 3.936 1.00 0.00 C ATOM 140 CG ARG A 13 -6.593 13.729 5.453 1.00 0.00 C ATOM 141 CD ARG A 13 -5.241 13.695 6.168 1.00 0.00 C ATOM 142 NE ARG A 13 -5.325 14.438 7.445 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.307 15.775 7.539 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.209 16.523 6.432 1.00 0.00 N ATOM 145 NH2 ARG A 13 -5.388 16.363 8.740 1.00 0.00 N ATOM 0 H ARG A 13 -8.606 13.732 2.772 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.011 15.707 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.939 12.774 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.358 13.514 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.122 14.647 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.210 12.898 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.946 12.663 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.473 14.135 5.532 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.401 13.899 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.148 16.075 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.195 17.540 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.463 15.793 9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.374 17.380 8.812 1.00 0.00 H new ATOM 159 N TYR A 14 -5.892 14.476 1.126 1.00 0.00 N ATOM 160 CA TYR A 14 -5.013 14.740 0.000 1.00 0.00 C ATOM 161 C TYR A 14 -5.804 15.250 -1.206 1.00 0.00 C ATOM 162 O TYR A 14 -7.001 14.989 -1.323 1.00 0.00 O ATOM 163 CB TYR A 14 -4.370 13.398 -0.357 1.00 0.00 C ATOM 164 CG TYR A 14 -3.491 12.815 0.751 1.00 0.00 C ATOM 165 CD1 TYR A 14 -4.069 12.133 1.803 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.121 12.971 0.699 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.241 11.584 2.846 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.294 12.422 1.743 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.895 11.756 2.764 1.00 0.00 C ATOM 170 OH TYR A 14 -1.114 11.237 3.749 1.00 0.00 O ATOM 0 H TYR A 14 -6.420 13.606 1.060 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.277 15.501 0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.156 12.682 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.767 13.523 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.141 12.011 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.669 13.504 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.680 11.048 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.221 12.537 1.715 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.635 10.595 4.276 1.00 0.00 H new ATOM 180 N PRO A 15 -5.086 15.986 -2.096 1.00 0.00 N ATOM 181 CA PRO A 15 -5.708 16.535 -3.289 1.00 0.00 C ATOM 182 C PRO A 15 -5.948 15.443 -4.333 1.00 0.00 C ATOM 183 O PRO A 15 -5.459 14.324 -4.190 1.00 0.00 O ATOM 184 CB PRO A 15 -4.754 17.617 -3.768 1.00 0.00 C ATOM 185 CG PRO A 15 -3.420 17.321 -3.102 1.00 0.00 C ATOM 186 CD PRO A 15 -3.667 16.315 -1.989 1.00 0.00 C ATOM 0 HA PRO A 15 -6.696 16.952 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.660 17.602 -4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.117 18.607 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.712 16.921 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.983 18.235 -2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.045 15.429 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.431 16.738 -1.013 1.00 0.00 H new ATOM 194 N PRO A 16 -6.720 15.817 -5.389 1.00 0.00 N ATOM 195 CA PRO A 16 -7.030 14.883 -6.457 1.00 0.00 C ATOM 196 C PRO A 16 -5.821 14.674 -7.371 1.00 0.00 C ATOM 197 O PRO A 16 -5.722 13.655 -8.053 1.00 0.00 O ATOM 198 CB PRO A 16 -8.221 15.491 -7.179 1.00 0.00 C ATOM 199 CG PRO A 16 -8.243 16.959 -6.784 1.00 0.00 C ATOM 200 CD PRO A 16 -7.315 17.134 -5.592 1.00 0.00 C ATOM 0 HA PRO A 16 -7.272 13.887 -6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.122 15.379 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.148 14.995 -6.890 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.918 17.583 -7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.256 17.271 -6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.552 17.887 -5.791 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.863 17.461 -4.708 1.00 0.00 H new ATOM 208 N GLU A 17 -4.931 15.656 -7.356 1.00 0.00 N ATOM 209 CA GLU A 17 -3.733 15.592 -8.175 1.00 0.00 C ATOM 210 C GLU A 17 -2.664 14.740 -7.487 1.00 0.00 C ATOM 211 O GLU A 17 -1.593 14.511 -8.046 1.00 0.00 O ATOM 212 CB GLU A 17 -3.202 16.995 -8.480 1.00 0.00 C ATOM 213 CG GLU A 17 -2.322 17.508 -7.339 1.00 0.00 C ATOM 214 CD GLU A 17 -1.838 18.933 -7.618 1.00 0.00 C ATOM 215 OE1 GLU A 17 -2.568 19.868 -7.224 1.00 0.00 O ATOM 216 OE2 GLU A 17 -0.749 19.054 -8.219 1.00 0.00 O ATOM 0 H GLU A 17 -5.016 16.500 -6.790 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.990 15.121 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.628 16.977 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.037 17.678 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.883 17.487 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.465 16.847 -7.211 1.00 0.00 H new ATOM 223 N LYS A 18 -2.994 14.292 -6.285 1.00 0.00 N ATOM 224 CA LYS A 18 -2.076 13.470 -5.515 1.00 0.00 C ATOM 225 C LYS A 18 -2.806 12.216 -5.029 1.00 0.00 C ATOM 226 O LYS A 18 -2.258 11.436 -4.251 1.00 0.00 O ATOM 227 CB LYS A 18 -1.440 14.287 -4.388 1.00 0.00 C ATOM 228 CG LYS A 18 -0.836 15.585 -4.927 1.00 0.00 C ATOM 229 CD LYS A 18 -0.079 16.334 -3.828 1.00 0.00 C ATOM 230 CE LYS A 18 0.801 17.436 -4.422 1.00 0.00 C ATOM 231 NZ LYS A 18 1.660 18.034 -3.375 1.00 0.00 N ATOM 0 H LYS A 18 -3.884 14.483 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.248 13.136 -6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.191 14.517 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.665 13.697 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.160 15.361 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.627 16.220 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.789 16.770 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.539 15.634 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.421 17.025 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.175 18.207 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.251 18.780 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.063 18.444 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.271 17.299 -2.965 1.00 0.00 H new ATOM 245 N LEU A 19 -4.032 12.061 -5.508 1.00 0.00 N ATOM 246 CA LEU A 19 -4.843 10.916 -5.132 1.00 0.00 C ATOM 247 C LEU A 19 -4.554 9.756 -6.087 1.00 0.00 C ATOM 248 O LEU A 19 -4.918 9.809 -7.261 1.00 0.00 O ATOM 249 CB LEU A 19 -6.321 11.304 -5.066 1.00 0.00 C ATOM 250 CG LEU A 19 -6.833 11.767 -3.700 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.158 12.518 -3.837 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.938 10.590 -2.727 1.00 0.00 C ATOM 0 H LEU A 19 -4.483 12.710 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.581 10.577 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.500 12.101 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.916 10.447 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.109 12.467 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.500 12.836 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.016 13.393 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.904 11.861 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.304 10.946 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.630 9.848 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.955 10.137 -2.597 1.00 0.00 H new ATOM 264 N PHE A 20 -3.902 8.736 -5.548 1.00 0.00 N ATOM 265 CA PHE A 20 -3.560 7.565 -6.338 1.00 0.00 C ATOM 266 C PHE A 20 -4.008 6.281 -5.638 1.00 0.00 C ATOM 267 O PHE A 20 -3.846 6.141 -4.427 1.00 0.00 O ATOM 268 CB PHE A 20 -2.037 7.550 -6.479 1.00 0.00 C ATOM 269 CG PHE A 20 -1.494 8.578 -7.474 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.425 8.273 -8.798 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.079 9.796 -7.035 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.921 9.227 -9.721 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.575 10.750 -7.958 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.507 10.445 -9.282 1.00 0.00 C ATOM 0 H PHE A 20 -3.602 8.696 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.058 7.611 -7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.590 7.734 -5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.721 6.555 -6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.754 7.305 -9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.133 10.038 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.867 8.985 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.246 11.718 -7.609 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.124 11.171 -9.984 1.00 0.00 H new ATOM 284 N GLN A 21 -4.564 5.376 -6.430 1.00 0.00 N ATOM 285 CA GLN A 21 -5.037 4.108 -5.901 1.00 0.00 C ATOM 286 C GLN A 21 -4.072 2.982 -6.280 1.00 0.00 C ATOM 287 O GLN A 21 -3.185 3.173 -7.110 1.00 0.00 O ATOM 288 CB GLN A 21 -6.454 3.804 -6.391 1.00 0.00 C ATOM 289 CG GLN A 21 -7.199 2.912 -5.396 1.00 0.00 C ATOM 290 CD GLN A 21 -8.711 2.994 -5.611 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.207 2.986 -6.726 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.415 3.074 -4.485 1.00 0.00 N ATOM 0 H GLN A 21 -4.698 5.496 -7.434 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.072 4.180 -4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.002 4.736 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.409 3.312 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.868 1.880 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.956 3.215 -4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.937 3.076 -3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.433 3.133 -4.523 1.00 0.00 H new ATOM 301 N ALA A 22 -4.279 1.833 -5.654 1.00 0.00 N ATOM 302 CA ALA A 22 -3.439 0.676 -5.914 1.00 0.00 C ATOM 303 C ALA A 22 -3.953 -0.051 -7.159 1.00 0.00 C ATOM 304 O ALA A 22 -5.096 -0.502 -7.191 1.00 0.00 O ATOM 305 CB ALA A 22 -3.416 -0.227 -4.679 1.00 0.00 C ATOM 0 H ALA A 22 -5.017 1.678 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.412 0.983 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.786 -1.095 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.017 0.328 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.429 -0.558 -4.452 1.00 0.00 H new ATOM 311 N GLU A 23 -3.082 -0.142 -8.153 1.00 0.00 N ATOM 312 CA GLU A 23 -3.432 -0.807 -9.396 1.00 0.00 C ATOM 313 C GLU A 23 -3.696 -2.294 -9.147 1.00 0.00 C ATOM 314 O GLU A 23 -4.675 -2.846 -9.647 1.00 0.00 O ATOM 315 CB GLU A 23 -2.339 -0.613 -10.449 1.00 0.00 C ATOM 316 CG GLU A 23 -2.648 0.588 -11.345 1.00 0.00 C ATOM 317 CD GLU A 23 -2.355 0.267 -12.812 1.00 0.00 C ATOM 318 OE1 GLU A 23 -1.270 -0.300 -13.063 1.00 0.00 O ATOM 319 OE2 GLU A 23 -3.223 0.596 -13.649 1.00 0.00 O ATOM 0 H GLU A 23 -2.134 0.234 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.346 -0.355 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.377 -0.467 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.252 -1.513 -11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.695 0.870 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.052 1.444 -11.030 1.00 0.00 H new ATOM 326 N ARG A 24 -2.806 -2.899 -8.375 1.00 0.00 N ATOM 327 CA ARG A 24 -2.930 -4.310 -8.053 1.00 0.00 C ATOM 328 C ARG A 24 -2.510 -4.564 -6.604 1.00 0.00 C ATOM 329 O ARG A 24 -1.979 -3.673 -5.943 1.00 0.00 O ATOM 330 CB ARG A 24 -2.067 -5.165 -8.984 1.00 0.00 C ATOM 331 CG ARG A 24 -0.695 -4.524 -9.202 1.00 0.00 C ATOM 332 CD ARG A 24 0.371 -5.588 -9.470 1.00 0.00 C ATOM 333 NE ARG A 24 1.260 -5.149 -10.568 1.00 0.00 N ATOM 334 CZ ARG A 24 0.873 -5.028 -11.846 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.389 -5.314 -12.193 1.00 0.00 N ATOM 336 NH2 ARG A 24 1.748 -4.623 -12.775 1.00 0.00 N ATOM 0 H ARG A 24 -1.995 -2.437 -7.963 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.975 -4.589 -8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.944 -6.161 -8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.571 -5.288 -9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.742 -3.832 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.419 -3.940 -8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.955 -5.765 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.105 -6.533 -9.732 1.00 0.00 H new ATOM 0 HE ARG A 24 2.228 -4.924 -10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.055 -5.624 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.684 -5.222 -13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.709 -4.407 -12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.454 -4.531 -13.747 1.00 0.00 H new ATOM 350 N ASN A 25 -2.765 -5.783 -6.153 1.00 0.00 N ATOM 351 CA ASN A 25 -2.420 -6.165 -4.794 1.00 0.00 C ATOM 352 C ASN A 25 -0.905 -6.062 -4.609 1.00 0.00 C ATOM 353 O ASN A 25 -0.176 -7.012 -4.891 1.00 0.00 O ATOM 354 CB ASN A 25 -2.835 -7.609 -4.505 1.00 0.00 C ATOM 355 CG ASN A 25 -4.205 -7.918 -5.113 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.325 -8.568 -6.138 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.227 -7.417 -4.425 1.00 0.00 N ATOM 0 H ASN A 25 -3.206 -6.519 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.945 -5.496 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.090 -8.293 -4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.866 -7.774 -3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.182 -7.568 -4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.055 -6.882 -3.574 1.00 0.00 H new ATOM 364 N PHE A 26 -0.475 -4.901 -4.136 1.00 0.00 N ATOM 365 CA PHE A 26 0.940 -4.662 -3.910 1.00 0.00 C ATOM 366 C PHE A 26 1.437 -5.433 -2.685 1.00 0.00 C ATOM 367 O PHE A 26 0.754 -5.490 -1.664 1.00 0.00 O ATOM 368 CB PHE A 26 1.105 -3.163 -3.657 1.00 0.00 C ATOM 369 CG PHE A 26 2.551 -2.730 -3.404 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.151 -3.024 -2.219 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.236 -2.052 -4.364 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.493 -2.622 -1.985 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.578 -1.651 -4.129 1.00 0.00 C ATOM 374 CZ PHE A 26 5.178 -1.944 -2.944 1.00 0.00 C ATOM 0 H PHE A 26 -1.082 -4.115 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 26 1.517 -4.994 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.717 -2.615 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.496 -2.881 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.607 -3.563 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.759 -1.819 -5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.970 -2.855 -1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.122 -1.113 -4.891 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.198 -1.638 -2.765 1.00 0.00 H new ATOM 384 N ASN A 27 2.624 -6.005 -2.827 1.00 0.00 N ATOM 385 CA ASN A 27 3.220 -6.769 -1.745 1.00 0.00 C ATOM 386 C ASN A 27 4.505 -6.076 -1.285 1.00 0.00 C ATOM 387 O ASN A 27 5.371 -5.761 -2.100 1.00 0.00 O ATOM 388 CB ASN A 27 3.584 -8.182 -2.204 1.00 0.00 C ATOM 389 CG ASN A 27 2.341 -9.071 -2.280 1.00 0.00 C ATOM 390 OD1 ASN A 27 1.831 -9.555 -1.283 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.885 -9.259 -3.515 1.00 0.00 N ATOM 0 H ASN A 27 3.189 -5.954 -3.675 1.00 0.00 H new ATOM 0 HA ASN A 27 2.494 -6.829 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.065 -8.138 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.306 -8.618 -1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.060 -9.838 -3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.360 -8.824 -4.306 1.00 0.00 H new ATOM 398 N ALA A 28 4.587 -5.858 0.019 1.00 0.00 N ATOM 399 CA ALA A 28 5.751 -5.208 0.598 1.00 0.00 C ATOM 400 C ALA A 28 7.007 -5.999 0.228 1.00 0.00 C ATOM 401 O ALA A 28 7.089 -7.199 0.486 1.00 0.00 O ATOM 402 CB ALA A 28 5.566 -5.082 2.111 1.00 0.00 C ATOM 0 H ALA A 28 3.866 -6.120 0.692 1.00 0.00 H new ATOM 0 HA ALA A 28 5.866 -4.200 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.439 -4.595 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.677 -4.487 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.450 -6.074 2.547 1.00 0.00 H new ATOM 408 N ALA A 29 7.956 -5.294 -0.372 1.00 0.00 N ATOM 409 CA ALA A 29 9.205 -5.915 -0.780 1.00 0.00 C ATOM 410 C ALA A 29 10.326 -5.458 0.155 1.00 0.00 C ATOM 411 O ALA A 29 11.198 -6.246 0.517 1.00 0.00 O ATOM 412 CB ALA A 29 9.490 -5.574 -2.243 1.00 0.00 C ATOM 0 H ALA A 29 7.885 -4.299 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 29 9.137 -7.000 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.427 -6.040 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.678 -5.946 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.568 -4.493 -2.356 1.00 0.00 H new ATOM 418 N GLN A 30 10.267 -4.185 0.520 1.00 0.00 N ATOM 419 CA GLN A 30 11.267 -3.613 1.405 1.00 0.00 C ATOM 420 C GLN A 30 10.627 -3.201 2.732 1.00 0.00 C ATOM 421 O GLN A 30 9.447 -3.462 2.965 1.00 0.00 O ATOM 422 CB GLN A 30 11.971 -2.427 0.744 1.00 0.00 C ATOM 423 CG GLN A 30 10.992 -1.612 -0.105 1.00 0.00 C ATOM 424 CD GLN A 30 11.704 -0.447 -0.796 1.00 0.00 C ATOM 425 OE1 GLN A 30 12.392 0.348 -0.177 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.501 -0.391 -2.109 1.00 0.00 N ATOM 0 H GLN A 30 9.542 -3.534 0.219 1.00 0.00 H new ATOM 0 HA GLN A 30 12.022 -4.373 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.413 -1.789 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.788 -2.787 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.530 -2.256 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.189 -1.230 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.913 -1.089 -2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.933 0.350 -2.661 1.00 0.00 H new ATOM 435 N ASP A 31 11.433 -2.563 3.568 1.00 0.00 N ATOM 436 CA ASP A 31 10.960 -2.112 4.866 1.00 0.00 C ATOM 437 C ASP A 31 10.203 -0.792 4.698 1.00 0.00 C ATOM 438 O ASP A 31 9.412 -0.412 5.560 1.00 0.00 O ATOM 439 CB ASP A 31 12.127 -1.868 5.824 1.00 0.00 C ATOM 440 CG ASP A 31 11.762 -1.896 7.309 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.602 -3.020 7.833 1.00 0.00 O ATOM 442 OD2 ASP A 31 11.651 -0.794 7.888 1.00 0.00 O ATOM 0 H ASP A 31 12.411 -2.348 3.372 1.00 0.00 H new ATOM 0 HA ASP A 31 10.313 -2.887 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.892 -2.622 5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.571 -0.900 5.593 1.00 0.00 H new ATOM 447 N LEU A 32 10.473 -0.130 3.582 1.00 0.00 N ATOM 448 CA LEU A 32 9.828 1.138 3.290 1.00 0.00 C ATOM 449 C LEU A 32 8.515 0.879 2.549 1.00 0.00 C ATOM 450 O LEU A 32 7.716 1.794 2.354 1.00 0.00 O ATOM 451 CB LEU A 32 10.785 2.066 2.539 1.00 0.00 C ATOM 452 CG LEU A 32 12.083 2.421 3.267 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.987 3.285 2.385 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.792 3.086 4.614 1.00 0.00 C ATOM 0 H LEU A 32 11.130 -0.449 2.870 1.00 0.00 H new ATOM 0 HA LEU A 32 9.576 1.658 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.041 1.599 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.256 2.991 2.308 1.00 0.00 H new ATOM 0 HG LEU A 32 12.622 1.497 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.903 3.523 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.235 2.740 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.468 4.208 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.732 3.328 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.221 4.000 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.216 2.404 5.240 1.00 0.00 H new ATOM 466 N ASP A 33 8.332 -0.373 2.155 1.00 0.00 N ATOM 467 CA ASP A 33 7.129 -0.764 1.439 1.00 0.00 C ATOM 468 C ASP A 33 6.094 -1.285 2.437 1.00 0.00 C ATOM 469 O ASP A 33 6.439 -1.659 3.557 1.00 0.00 O ATOM 470 CB ASP A 33 7.424 -1.882 0.437 1.00 0.00 C ATOM 471 CG ASP A 33 8.196 -1.445 -0.810 1.00 0.00 C ATOM 472 OD1 ASP A 33 8.640 -0.277 -0.822 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.325 -2.290 -1.722 1.00 0.00 O ATOM 0 H ASP A 33 8.996 -1.130 2.318 1.00 0.00 H new ATOM 0 HA ASP A 33 6.755 0.110 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.992 -2.662 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.480 -2.327 0.124 1.00 0.00 H new ATOM 478 N VAL A 34 4.845 -1.294 1.995 1.00 0.00 N ATOM 479 CA VAL A 34 3.756 -1.763 2.836 1.00 0.00 C ATOM 480 C VAL A 34 2.658 -2.361 1.955 1.00 0.00 C ATOM 481 O VAL A 34 2.295 -1.783 0.931 1.00 0.00 O ATOM 482 CB VAL A 34 3.255 -0.624 3.726 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.413 0.264 4.186 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.182 0.200 3.011 1.00 0.00 C ATOM 0 H VAL A 34 4.563 -0.984 1.065 1.00 0.00 H new ATOM 0 HA VAL A 34 4.102 -2.552 3.504 1.00 0.00 H new ATOM 0 HB VAL A 34 2.801 -1.067 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.029 1.065 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.127 -0.334 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.910 0.694 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.843 1.003 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.599 0.627 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.338 -0.442 2.758 1.00 0.00 H new ATOM 494 N SER A 35 2.160 -3.511 2.384 1.00 0.00 N ATOM 495 CA SER A 35 1.110 -4.194 1.647 1.00 0.00 C ATOM 496 C SER A 35 -0.048 -3.232 1.374 1.00 0.00 C ATOM 497 O SER A 35 -0.381 -2.400 2.217 1.00 0.00 O ATOM 498 CB SER A 35 0.612 -5.423 2.409 1.00 0.00 C ATOM 499 OG SER A 35 0.213 -5.101 3.739 1.00 0.00 O ATOM 0 H SER A 35 2.464 -3.988 3.233 1.00 0.00 H new ATOM 0 HA SER A 35 1.524 -4.533 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.229 -5.864 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.400 -6.175 2.439 1.00 0.00 H new ATOM 0 HG SER A 35 -0.100 -5.912 4.192 1.00 0.00 H new ATOM 505 N LEU A 36 -0.631 -3.378 0.193 1.00 0.00 N ATOM 506 CA LEU A 36 -1.745 -2.533 -0.201 1.00 0.00 C ATOM 507 C LEU A 36 -2.734 -3.354 -1.032 1.00 0.00 C ATOM 508 O LEU A 36 -2.346 -4.317 -1.691 1.00 0.00 O ATOM 509 CB LEU A 36 -1.239 -1.277 -0.912 1.00 0.00 C ATOM 510 CG LEU A 36 -0.511 -0.256 -0.034 1.00 0.00 C ATOM 511 CD1 LEU A 36 0.033 0.900 -0.874 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.413 0.234 1.100 1.00 0.00 C ATOM 0 H LEU A 36 -0.353 -4.069 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.284 -2.179 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.566 -1.583 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.089 -0.782 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 36 0.345 -0.750 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.546 1.611 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.733 0.514 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.792 1.401 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.871 0.958 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.302 0.705 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.709 -0.612 1.720 1.00 0.00 H new ATOM 524 N LEU A 37 -3.992 -2.943 -0.973 1.00 0.00 N ATOM 525 CA LEU A 37 -5.038 -3.628 -1.712 1.00 0.00 C ATOM 526 C LEU A 37 -5.348 -2.848 -2.991 1.00 0.00 C ATOM 527 O LEU A 37 -5.403 -1.619 -2.975 1.00 0.00 O ATOM 528 CB LEU A 37 -6.261 -3.858 -0.821 1.00 0.00 C ATOM 529 CG LEU A 37 -6.191 -5.066 0.115 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.491 -5.223 0.906 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.833 -6.338 -0.657 1.00 0.00 C ATOM 0 H LEU A 37 -4.310 -2.144 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.702 -4.619 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.419 -2.964 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.136 -3.969 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.393 -4.892 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.415 -6.089 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.664 -4.328 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.322 -5.364 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.790 -7.182 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.591 -6.528 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.863 -6.211 -1.137 1.00 0.00 H new ATOM 543 N GLU A 38 -5.542 -3.594 -4.069 1.00 0.00 N ATOM 544 CA GLU A 38 -5.844 -2.988 -5.354 1.00 0.00 C ATOM 545 C GLU A 38 -6.959 -1.951 -5.203 1.00 0.00 C ATOM 546 O GLU A 38 -7.102 -1.061 -6.040 1.00 0.00 O ATOM 547 CB GLU A 38 -6.222 -4.052 -6.387 1.00 0.00 C ATOM 548 CG GLU A 38 -7.213 -5.058 -5.800 1.00 0.00 C ATOM 549 CD GLU A 38 -7.882 -5.878 -6.905 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.153 -6.666 -7.547 1.00 0.00 O ATOM 551 OE2 GLU A 38 -9.106 -5.699 -7.083 1.00 0.00 O ATOM 0 H GLU A 38 -5.496 -4.613 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.949 -2.481 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.660 -3.574 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.325 -4.573 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.695 -5.725 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.973 -4.531 -5.223 1.00 0.00 H new ATOM 558 N GLY A 39 -7.720 -2.100 -4.128 1.00 0.00 N ATOM 559 CA GLY A 39 -8.818 -1.187 -3.856 1.00 0.00 C ATOM 560 C GLY A 39 -8.386 -0.085 -2.887 1.00 0.00 C ATOM 561 O GLY A 39 -8.966 1.000 -2.878 1.00 0.00 O ATOM 0 H GLY A 39 -7.598 -2.839 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.165 -0.741 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.658 -1.738 -3.434 1.00 0.00 H new ATOM 565 N ASP A 40 -7.373 -0.401 -2.094 1.00 0.00 N ATOM 566 CA ASP A 40 -6.858 0.549 -1.123 1.00 0.00 C ATOM 567 C ASP A 40 -6.506 1.858 -1.833 1.00 0.00 C ATOM 568 O ASP A 40 -5.957 1.843 -2.934 1.00 0.00 O ATOM 569 CB ASP A 40 -5.588 0.019 -0.454 1.00 0.00 C ATOM 570 CG ASP A 40 -5.825 -0.866 0.772 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.012 -1.052 1.117 1.00 0.00 O ATOM 572 OD2 ASP A 40 -4.814 -1.336 1.336 1.00 0.00 O ATOM 0 H ASP A 40 -6.895 -1.302 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.626 0.707 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.018 -0.549 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.970 0.867 -0.158 1.00 0.00 H new ATOM 577 N LEU A 41 -6.838 2.959 -1.175 1.00 0.00 N ATOM 578 CA LEU A 41 -6.564 4.274 -1.730 1.00 0.00 C ATOM 579 C LEU A 41 -5.419 4.923 -0.950 1.00 0.00 C ATOM 580 O LEU A 41 -5.209 4.616 0.222 1.00 0.00 O ATOM 581 CB LEU A 41 -7.840 5.117 -1.765 1.00 0.00 C ATOM 582 CG LEU A 41 -7.845 6.284 -2.754 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.006 7.451 -2.229 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.391 5.829 -4.142 1.00 0.00 C ATOM 0 H LEU A 41 -7.294 2.968 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.237 4.190 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.678 4.462 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.018 5.513 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.869 6.643 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.026 8.267 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.416 7.796 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.977 7.122 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.404 6.678 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.379 5.428 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.066 5.056 -4.510 1.00 0.00 H new ATOM 596 N VAL A 42 -4.708 5.809 -1.633 1.00 0.00 N ATOM 597 CA VAL A 42 -3.590 6.504 -1.019 1.00 0.00 C ATOM 598 C VAL A 42 -3.388 7.851 -1.715 1.00 0.00 C ATOM 599 O VAL A 42 -3.897 8.069 -2.813 1.00 0.00 O ATOM 600 CB VAL A 42 -2.341 5.620 -1.054 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.615 4.259 -0.412 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.824 5.458 -2.485 1.00 0.00 C ATOM 0 H VAL A 42 -4.885 6.061 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.798 6.709 0.031 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.564 6.114 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.712 3.650 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.914 4.400 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.415 3.755 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.936 4.826 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.596 4.996 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.571 6.436 -2.893 1.00 0.00 H new ATOM 612 N GLY A 43 -2.644 8.721 -1.047 1.00 0.00 N ATOM 613 CA GLY A 43 -2.369 10.041 -1.588 1.00 0.00 C ATOM 614 C GLY A 43 -0.863 10.285 -1.700 1.00 0.00 C ATOM 615 O GLY A 43 -0.182 10.459 -0.690 1.00 0.00 O ATOM 0 H GLY A 43 -2.223 8.537 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.831 10.139 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.817 10.801 -0.948 1.00 0.00 H new ATOM 619 N VAL A 44 -0.386 10.290 -2.936 1.00 0.00 N ATOM 620 CA VAL A 44 1.027 10.510 -3.193 1.00 0.00 C ATOM 621 C VAL A 44 1.549 11.598 -2.252 1.00 0.00 C ATOM 622 O VAL A 44 0.935 12.656 -2.121 1.00 0.00 O ATOM 623 CB VAL A 44 1.245 10.841 -4.670 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.532 11.645 -4.867 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.257 9.570 -5.522 1.00 0.00 C ATOM 0 H VAL A 44 -0.954 10.145 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 44 1.598 9.604 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 44 0.410 11.458 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.664 11.867 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.468 12.577 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.382 11.064 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.414 9.834 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.063 8.916 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.303 9.053 -5.418 1.00 0.00 H new ATOM 635 N ILE A 45 2.676 11.301 -1.623 1.00 0.00 N ATOM 636 CA ILE A 45 3.287 12.241 -0.698 1.00 0.00 C ATOM 637 C ILE A 45 4.650 12.673 -1.243 1.00 0.00 C ATOM 638 O ILE A 45 4.894 13.861 -1.444 1.00 0.00 O ATOM 639 CB ILE A 45 3.348 11.645 0.710 1.00 0.00 C ATOM 640 CG1 ILE A 45 1.995 11.764 1.415 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.477 12.279 1.525 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.012 11.032 2.758 1.00 0.00 C ATOM 0 H ILE A 45 3.182 10.423 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 45 2.678 13.141 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 45 3.572 10.582 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.754 12.815 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.212 11.349 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.498 11.838 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.430 12.099 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.308 13.353 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.039 11.132 3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.230 9.977 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.780 11.466 3.399 1.00 0.00 H new ATOM 654 N LYS A 46 5.502 11.683 -1.468 1.00 0.00 N ATOM 655 CA LYS A 46 6.834 11.946 -1.985 1.00 0.00 C ATOM 656 C LYS A 46 6.959 11.346 -3.387 1.00 0.00 C ATOM 657 O LYS A 46 6.663 10.170 -3.592 1.00 0.00 O ATOM 658 CB LYS A 46 7.898 11.446 -1.006 1.00 0.00 C ATOM 659 CG LYS A 46 8.947 12.528 -0.737 1.00 0.00 C ATOM 660 CD LYS A 46 9.592 12.336 0.637 1.00 0.00 C ATOM 661 CE LYS A 46 10.334 11.001 0.713 1.00 0.00 C ATOM 662 NZ LYS A 46 11.687 11.191 1.281 1.00 0.00 N ATOM 0 H LYS A 46 5.296 10.698 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 46 7.001 13.019 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.426 11.151 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.382 10.558 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.714 12.496 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.482 13.512 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.286 13.153 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.825 12.375 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.770 10.300 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.409 10.563 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.401 10.963 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.802 12.180 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.810 10.564 2.101 1.00 0.00 H new ATOM 676 N LYS A 47 7.398 12.182 -4.317 1.00 0.00 N ATOM 677 CA LYS A 47 7.566 11.748 -5.694 1.00 0.00 C ATOM 678 C LYS A 47 8.994 11.236 -5.892 1.00 0.00 C ATOM 679 O LYS A 47 9.492 11.196 -7.016 1.00 0.00 O ATOM 680 CB LYS A 47 7.174 12.869 -6.659 1.00 0.00 C ATOM 681 CG LYS A 47 5.710 13.269 -6.470 1.00 0.00 C ATOM 682 CD LYS A 47 5.091 13.726 -7.793 1.00 0.00 C ATOM 683 CE LYS A 47 3.594 13.408 -7.836 1.00 0.00 C ATOM 684 NZ LYS A 47 2.851 14.507 -8.493 1.00 0.00 N ATOM 0 H LYS A 47 7.642 13.157 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 47 6.896 10.918 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.815 13.735 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.336 12.542 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.147 12.424 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.640 14.071 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.243 14.798 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.595 13.233 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.429 12.476 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.218 13.261 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.837 14.276 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.994 15.389 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.199 14.628 -9.466 1.00 0.00 H new ATOM 698 N LYS A 48 9.612 10.858 -4.783 1.00 0.00 N ATOM 699 CA LYS A 48 10.973 10.351 -4.821 1.00 0.00 C ATOM 700 C LYS A 48 11.379 9.886 -3.421 1.00 0.00 C ATOM 701 O LYS A 48 10.755 10.267 -2.432 1.00 0.00 O ATOM 702 CB LYS A 48 11.918 11.394 -5.421 1.00 0.00 C ATOM 703 CG LYS A 48 12.227 12.499 -4.409 1.00 0.00 C ATOM 704 CD LYS A 48 13.736 12.718 -4.281 1.00 0.00 C ATOM 705 CE LYS A 48 14.040 13.960 -3.440 1.00 0.00 C ATOM 706 NZ LYS A 48 14.243 13.588 -2.022 1.00 0.00 N ATOM 0 H LYS A 48 9.195 10.893 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 48 11.037 9.483 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.845 10.913 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.467 11.828 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.746 13.427 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.810 12.234 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.197 11.843 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.177 12.828 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.931 14.457 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.219 14.672 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.448 14.442 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.382 13.134 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.042 12.926 -1.948 1.00 0.00 H new ATOM 720 N ASP A 49 12.423 9.071 -3.382 1.00 0.00 N ATOM 721 CA ASP A 49 12.919 8.550 -2.120 1.00 0.00 C ATOM 722 C ASP A 49 13.992 9.493 -1.571 1.00 0.00 C ATOM 723 O ASP A 49 14.586 10.267 -2.321 1.00 0.00 O ATOM 724 CB ASP A 49 13.552 7.170 -2.304 1.00 0.00 C ATOM 725 CG ASP A 49 12.806 6.239 -3.261 1.00 0.00 C ATOM 726 OD1 ASP A 49 11.656 6.585 -3.609 1.00 0.00 O ATOM 727 OD2 ASP A 49 13.402 5.202 -3.625 1.00 0.00 O ATOM 0 H ASP A 49 12.939 8.759 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 49 12.076 8.471 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.571 7.300 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.621 6.686 -1.330 1.00 0.00 H new ATOM 732 N PRO A 50 14.214 9.395 -0.233 1.00 0.00 N ATOM 733 CA PRO A 50 15.205 10.230 0.424 1.00 0.00 C ATOM 734 C PRO A 50 16.623 9.742 0.119 1.00 0.00 C ATOM 735 O PRO A 50 17.353 9.339 1.023 1.00 0.00 O ATOM 736 CB PRO A 50 14.859 10.161 1.903 1.00 0.00 C ATOM 737 CG PRO A 50 13.982 8.930 2.069 1.00 0.00 C ATOM 738 CD PRO A 50 13.529 8.491 0.686 1.00 0.00 C ATOM 0 HA PRO A 50 15.186 11.261 0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.760 10.084 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.334 11.061 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.536 8.130 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.122 9.156 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.797 7.452 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.447 8.566 0.582 1.00 0.00 H new ATOM 746 N MET A 51 16.969 9.794 -1.159 1.00 0.00 N ATOM 747 CA MET A 51 18.287 9.362 -1.595 1.00 0.00 C ATOM 748 C MET A 51 18.583 9.854 -3.013 1.00 0.00 C ATOM 749 O MET A 51 19.695 10.292 -3.303 1.00 0.00 O ATOM 750 CB MET A 51 18.361 7.834 -1.558 1.00 0.00 C ATOM 751 CG MET A 51 18.855 7.343 -0.196 1.00 0.00 C ATOM 752 SD MET A 51 20.149 6.133 -0.416 1.00 0.00 S ATOM 753 CE MET A 51 19.287 4.936 -1.421 1.00 0.00 C ATOM 0 H MET A 51 16.360 10.128 -1.906 1.00 0.00 H new ATOM 0 HA MET A 51 19.031 9.787 -0.921 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.377 7.413 -1.765 1.00 0.00 H new ATOM 0 HB3 MET A 51 19.031 7.479 -2.341 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.227 8.184 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 51 18.028 6.906 0.364 1.00 0.00 H new ATOM 0 HE1 MET A 51 19.674 3.939 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 51 18.222 4.968 -1.191 1.00 0.00 H new ATOM 0 HE3 MET A 51 19.438 5.170 -2.475 1.00 0.00 H new ATOM 763 N GLY A 52 17.568 9.764 -3.860 1.00 0.00 N ATOM 764 CA GLY A 52 17.706 10.195 -5.241 1.00 0.00 C ATOM 765 C GLY A 52 16.791 9.384 -6.162 1.00 0.00 C ATOM 766 O GLY A 52 16.480 9.816 -7.271 1.00 0.00 O ATOM 0 H GLY A 52 16.647 9.399 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.462 11.254 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.742 10.081 -5.560 1.00 0.00 H new ATOM 770 N SER A 53 16.386 8.223 -5.668 1.00 0.00 N ATOM 771 CA SER A 53 15.514 7.348 -6.433 1.00 0.00 C ATOM 772 C SER A 53 14.125 7.978 -6.563 1.00 0.00 C ATOM 773 O SER A 53 13.392 8.083 -5.581 1.00 0.00 O ATOM 774 CB SER A 53 15.411 5.967 -5.782 1.00 0.00 C ATOM 775 OG SER A 53 15.913 4.939 -6.630 1.00 0.00 O ATOM 0 H SER A 53 16.646 7.868 -4.748 1.00 0.00 H new ATOM 0 HA SER A 53 15.943 7.220 -7.427 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.966 5.966 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.370 5.758 -5.537 1.00 0.00 H new ATOM 0 HG SER A 53 15.831 4.073 -6.178 1.00 0.00 H new ATOM 781 N GLN A 54 13.806 8.381 -7.784 1.00 0.00 N ATOM 782 CA GLN A 54 12.519 8.998 -8.056 1.00 0.00 C ATOM 783 C GLN A 54 11.529 7.953 -8.575 1.00 0.00 C ATOM 784 O GLN A 54 10.317 8.121 -8.444 1.00 0.00 O ATOM 785 CB GLN A 54 12.663 10.155 -9.046 1.00 0.00 C ATOM 786 CG GLN A 54 12.615 9.652 -10.490 1.00 0.00 C ATOM 787 CD GLN A 54 13.832 8.781 -10.808 1.00 0.00 C ATOM 788 OE1 GLN A 54 14.972 9.161 -10.597 1.00 0.00 O ATOM 789 NE2 GLN A 54 13.527 7.594 -11.326 1.00 0.00 N ATOM 0 H GLN A 54 14.417 8.292 -8.596 1.00 0.00 H new ATOM 0 HA GLN A 54 12.131 9.408 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.865 10.879 -8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.605 10.674 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.702 9.079 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.582 10.500 -11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.551 7.339 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.269 6.939 -11.572 1.00 0.00 H new ATOM 798 N ASN A 55 12.081 6.897 -9.154 1.00 0.00 N ATOM 799 CA ASN A 55 11.262 5.825 -9.694 1.00 0.00 C ATOM 800 C ASN A 55 10.263 5.368 -8.629 1.00 0.00 C ATOM 801 O ASN A 55 9.153 4.949 -8.954 1.00 0.00 O ATOM 802 CB ASN A 55 12.120 4.620 -10.086 1.00 0.00 C ATOM 803 CG ASN A 55 11.324 3.639 -10.949 1.00 0.00 C ATOM 804 OD1 ASN A 55 10.609 2.780 -10.460 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.489 3.814 -12.257 1.00 0.00 N ATOM 0 H ASN A 55 13.086 6.761 -9.261 1.00 0.00 H new ATOM 0 HA ASN A 55 10.749 6.204 -10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.001 4.958 -10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.476 4.115 -9.188 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.002 3.209 -12.918 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.103 4.553 -12.599 1.00 0.00 H new ATOM 812 N ARG A 56 10.692 5.464 -7.380 1.00 0.00 N ATOM 813 CA ARG A 56 9.849 5.065 -6.266 1.00 0.00 C ATOM 814 C ARG A 56 9.292 6.300 -5.553 1.00 0.00 C ATOM 815 O ARG A 56 10.036 7.228 -5.239 1.00 0.00 O ATOM 816 CB ARG A 56 10.629 4.214 -5.262 1.00 0.00 C ATOM 817 CG ARG A 56 9.733 3.775 -4.102 1.00 0.00 C ATOM 818 CD ARG A 56 10.214 2.450 -3.508 1.00 0.00 C ATOM 819 NE ARG A 56 11.189 2.704 -2.425 1.00 0.00 N ATOM 820 CZ ARG A 56 12.508 2.841 -2.619 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.017 2.749 -3.855 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.318 3.071 -1.576 1.00 0.00 N ATOM 0 H ARG A 56 11.613 5.813 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 56 9.028 4.471 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.037 3.336 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.475 4.783 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.730 4.544 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.706 3.669 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.365 1.887 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.673 1.839 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 56 10.835 2.780 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.401 2.575 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.021 2.853 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.930 3.142 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.322 3.175 -1.723 1.00 0.00 H new ATOM 836 N TRP A 57 7.989 6.270 -5.319 1.00 0.00 N ATOM 837 CA TRP A 57 7.323 7.375 -4.650 1.00 0.00 C ATOM 838 C TRP A 57 6.844 6.881 -3.284 1.00 0.00 C ATOM 839 O TRP A 57 6.717 5.677 -3.065 1.00 0.00 O ATOM 840 CB TRP A 57 6.192 7.938 -5.512 1.00 0.00 C ATOM 841 CG TRP A 57 6.671 8.640 -6.785 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.932 8.870 -7.176 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.838 9.198 -7.824 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.973 9.532 -8.386 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.660 9.738 -8.793 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.438 9.245 -7.941 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.174 10.364 -9.947 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.969 9.874 -9.100 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.782 10.422 -10.085 1.00 0.00 C ATOM 0 H TRP A 57 7.376 5.498 -5.581 1.00 0.00 H new ATOM 0 HA TRP A 57 8.013 8.205 -4.498 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.520 7.125 -5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.612 8.643 -4.917 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.806 8.574 -6.615 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.813 9.818 -8.889 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.777 8.829 -7.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.837 10.780 -10.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.900 9.938 -9.239 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.342 10.890 -10.953 1.00 0.00 H new ATOM 860 N LEU A 58 6.591 7.835 -2.400 1.00 0.00 N ATOM 861 CA LEU A 58 6.128 7.511 -1.061 1.00 0.00 C ATOM 862 C LEU A 58 4.649 7.882 -0.934 1.00 0.00 C ATOM 863 O LEU A 58 4.249 8.987 -1.298 1.00 0.00 O ATOM 864 CB LEU A 58 7.021 8.174 -0.010 1.00 0.00 C ATOM 865 CG LEU A 58 6.438 8.270 1.401 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.498 9.470 1.526 1.00 0.00 C ATOM 867 CD2 LEU A 58 5.754 6.961 1.801 1.00 0.00 C ATOM 0 H LEU A 58 6.698 8.832 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 58 6.205 6.439 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.959 7.621 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.264 9.181 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 58 7.259 8.431 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.098 9.515 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.048 10.387 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.678 9.365 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.348 7.056 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.946 6.745 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.481 6.149 1.778 1.00 0.00 H new ATOM 879 N ILE A 59 3.877 6.937 -0.416 1.00 0.00 N ATOM 880 CA ILE A 59 2.451 7.151 -0.237 1.00 0.00 C ATOM 881 C ILE A 59 2.053 6.739 1.182 1.00 0.00 C ATOM 882 O ILE A 59 2.783 6.005 1.847 1.00 0.00 O ATOM 883 CB ILE A 59 1.660 6.432 -1.331 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.711 4.915 -1.138 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.143 6.850 -2.721 1.00 0.00 C ATOM 886 CD1 ILE A 59 0.844 4.484 0.046 1.00 0.00 C ATOM 0 H ILE A 59 4.212 6.022 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 59 2.208 8.208 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 59 0.615 6.731 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.367 4.418 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.741 4.600 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.564 6.324 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.011 7.925 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.198 6.599 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.898 3.401 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.205 4.964 0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.190 4.779 -0.134 1.00 0.00 H new ATOM 898 N ASP A 60 0.896 7.228 1.603 1.00 0.00 N ATOM 899 CA ASP A 60 0.392 6.920 2.931 1.00 0.00 C ATOM 900 C ASP A 60 -0.921 6.144 2.806 1.00 0.00 C ATOM 901 O ASP A 60 -1.826 6.562 2.085 1.00 0.00 O ATOM 902 CB ASP A 60 0.113 8.198 3.725 1.00 0.00 C ATOM 903 CG ASP A 60 -0.110 7.992 5.224 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.190 7.467 5.570 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.805 8.364 5.990 1.00 0.00 O ATOM 0 H ASP A 60 0.293 7.835 1.048 1.00 0.00 H new ATOM 0 HA ASP A 60 1.148 6.331 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.950 8.883 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.768 8.684 3.305 1.00 0.00 H new ATOM 910 N ASN A 61 -0.982 5.029 3.518 1.00 0.00 N ATOM 911 CA ASN A 61 -2.169 4.192 3.496 1.00 0.00 C ATOM 912 C ASN A 61 -3.087 4.583 4.656 1.00 0.00 C ATOM 913 O ASN A 61 -3.767 3.733 5.229 1.00 0.00 O ATOM 914 CB ASN A 61 -1.805 2.715 3.660 1.00 0.00 C ATOM 915 CG ASN A 61 -1.252 2.438 5.059 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.852 3.334 5.785 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.252 1.152 5.396 1.00 0.00 N ATOM 0 H ASN A 61 -0.229 4.686 4.114 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.665 4.338 2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.686 2.098 3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.065 2.434 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.903 0.864 6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.601 0.453 4.740 1.00 0.00 H new ATOM 924 N GLY A 62 -3.076 5.871 4.968 1.00 0.00 N ATOM 925 CA GLY A 62 -3.898 6.386 6.050 1.00 0.00 C ATOM 926 C GLY A 62 -3.579 5.676 7.367 1.00 0.00 C ATOM 927 O GLY A 62 -4.378 5.706 8.302 1.00 0.00 O ATOM 0 H GLY A 62 -2.511 6.573 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.730 7.457 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.952 6.252 5.806 1.00 0.00 H new ATOM 931 N VAL A 63 -2.409 5.054 7.399 1.00 0.00 N ATOM 932 CA VAL A 63 -1.975 4.338 8.586 1.00 0.00 C ATOM 933 C VAL A 63 -0.482 4.587 8.808 1.00 0.00 C ATOM 934 O VAL A 63 -0.074 5.014 9.887 1.00 0.00 O ATOM 935 CB VAL A 63 -2.320 2.854 8.458 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.740 2.052 9.625 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.833 2.650 8.351 1.00 0.00 C ATOM 0 H VAL A 63 -1.749 5.031 6.622 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.501 4.705 9.467 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.866 2.483 7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.001 1.000 9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.655 2.158 9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.151 2.426 10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.051 1.586 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.317 3.046 9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.209 3.173 7.472 1.00 0.00 H new ATOM 947 N THR A 64 0.293 4.310 7.770 1.00 0.00 N ATOM 948 CA THR A 64 1.732 4.498 7.838 1.00 0.00 C ATOM 949 C THR A 64 2.264 5.033 6.507 1.00 0.00 C ATOM 950 O THR A 64 1.487 5.419 5.634 1.00 0.00 O ATOM 951 CB THR A 64 2.364 3.169 8.255 1.00 0.00 C ATOM 952 OG1 THR A 64 3.719 3.503 8.542 1.00 0.00 O ATOM 953 CG2 THR A 64 2.463 2.178 7.093 1.00 0.00 C ATOM 0 H THR A 64 -0.049 3.956 6.876 1.00 0.00 H new ATOM 0 HA THR A 64 1.998 5.248 8.583 1.00 0.00 H new ATOM 0 HB THR A 64 1.779 2.727 9.061 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.202 2.698 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.919 1.252 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.465 1.969 6.707 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.076 2.607 6.300 1.00 0.00 H new ATOM 961 N LYS A 65 3.584 5.039 6.393 1.00 0.00 N ATOM 962 CA LYS A 65 4.228 5.521 5.183 1.00 0.00 C ATOM 963 C LYS A 65 4.855 4.339 4.440 1.00 0.00 C ATOM 964 O LYS A 65 5.709 3.641 4.985 1.00 0.00 O ATOM 965 CB LYS A 65 5.221 6.637 5.512 1.00 0.00 C ATOM 966 CG LYS A 65 4.547 8.009 5.444 1.00 0.00 C ATOM 967 CD LYS A 65 5.587 9.130 5.414 1.00 0.00 C ATOM 968 CE LYS A 65 4.925 10.497 5.600 1.00 0.00 C ATOM 969 NZ LYS A 65 4.823 10.832 7.038 1.00 0.00 N ATOM 0 H LYS A 65 4.225 4.718 7.119 1.00 0.00 H new ATOM 0 HA LYS A 65 3.494 5.968 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.633 6.480 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.056 6.603 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.920 8.066 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.892 8.139 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.324 8.969 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.124 9.108 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.504 11.262 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.932 10.491 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.372 11.763 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.251 10.111 7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.775 10.858 7.457 1.00 0.00 H new ATOM 983 N GLY A 66 4.408 4.152 3.207 1.00 0.00 N ATOM 984 CA GLY A 66 4.915 3.067 2.384 1.00 0.00 C ATOM 985 C GLY A 66 5.383 3.584 1.022 1.00 0.00 C ATOM 986 O GLY A 66 4.794 4.512 0.470 1.00 0.00 O ATOM 0 H GLY A 66 3.700 4.733 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.743 2.575 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.136 2.317 2.244 1.00 0.00 H new ATOM 990 N PHE A 67 6.439 2.962 0.520 1.00 0.00 N ATOM 991 CA PHE A 67 6.994 3.348 -0.766 1.00 0.00 C ATOM 992 C PHE A 67 6.593 2.353 -1.857 1.00 0.00 C ATOM 993 O PHE A 67 6.814 1.151 -1.717 1.00 0.00 O ATOM 994 CB PHE A 67 8.517 3.338 -0.618 1.00 0.00 C ATOM 995 CG PHE A 67 9.078 4.554 0.122 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.600 4.881 1.353 1.00 0.00 C ATOM 997 CD2 PHE A 67 10.055 5.307 -0.450 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.121 6.010 2.040 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.576 6.436 0.237 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.097 6.763 1.467 1.00 0.00 C ATOM 0 H PHE A 67 6.925 2.193 0.981 1.00 0.00 H new ATOM 0 HA PHE A 67 6.620 4.331 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.814 2.434 -0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.968 3.289 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.825 4.282 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.435 5.047 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.742 6.270 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.352 7.034 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.492 7.622 1.989 1.00 0.00 H new ATOM 1010 N VAL A 68 6.011 2.891 -2.919 1.00 0.00 N ATOM 1011 CA VAL A 68 5.577 2.065 -4.033 1.00 0.00 C ATOM 1012 C VAL A 68 5.837 2.808 -5.345 1.00 0.00 C ATOM 1013 O VAL A 68 5.831 4.038 -5.377 1.00 0.00 O ATOM 1014 CB VAL A 68 4.110 1.669 -3.851 1.00 0.00 C ATOM 1015 CG1 VAL A 68 3.942 0.721 -2.662 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.224 2.906 -3.695 1.00 0.00 C ATOM 0 H VAL A 68 5.830 3.888 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 68 6.149 1.137 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 68 3.792 1.140 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.890 0.455 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.529 -0.182 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.286 1.213 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.187 2.597 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.543 3.475 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.310 3.530 -4.585 1.00 0.00 H new ATOM 1026 N TYR A 69 6.060 2.031 -6.394 1.00 0.00 N ATOM 1027 CA TYR A 69 6.322 2.600 -7.705 1.00 0.00 C ATOM 1028 C TYR A 69 5.027 3.086 -8.360 1.00 0.00 C ATOM 1029 O TYR A 69 4.067 2.327 -8.485 1.00 0.00 O ATOM 1030 CB TYR A 69 6.911 1.467 -8.547 1.00 0.00 C ATOM 1031 CG TYR A 69 8.169 0.836 -7.948 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.253 1.628 -7.628 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.221 -0.525 -7.727 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.438 1.035 -7.064 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.405 -1.119 -7.163 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.455 -0.310 -6.859 1.00 0.00 C ATOM 1037 OH TYR A 69 11.574 -0.870 -6.327 1.00 0.00 O ATOM 0 H TYR A 69 6.065 1.011 -6.363 1.00 0.00 H new ATOM 0 HA TYR A 69 6.994 3.454 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.155 0.693 -8.676 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.147 1.851 -9.540 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.213 2.693 -7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.373 -1.145 -7.977 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.293 1.644 -6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.458 -2.183 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 69 11.444 -1.837 -6.236 1.00 0.00 H new ATOM 1047 N SER A 70 5.042 4.349 -8.761 1.00 0.00 N ATOM 1048 CA SER A 70 3.882 4.946 -9.400 1.00 0.00 C ATOM 1049 C SER A 70 3.221 3.932 -10.336 1.00 0.00 C ATOM 1050 O SER A 70 2.007 3.964 -10.534 1.00 0.00 O ATOM 1051 CB SER A 70 4.267 6.209 -10.173 1.00 0.00 C ATOM 1052 OG SER A 70 5.397 5.996 -11.015 1.00 0.00 O ATOM 0 H SER A 70 5.840 4.975 -8.655 1.00 0.00 H new ATOM 0 HA SER A 70 3.173 5.231 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.421 6.536 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.485 7.012 -9.469 1.00 0.00 H new ATOM 0 HG SER A 70 5.610 6.825 -11.492 1.00 0.00 H new ATOM 1058 N SER A 71 4.048 3.055 -10.886 1.00 0.00 N ATOM 1059 CA SER A 71 3.559 2.034 -11.796 1.00 0.00 C ATOM 1060 C SER A 71 2.442 1.229 -11.128 1.00 0.00 C ATOM 1061 O SER A 71 1.343 1.120 -11.669 1.00 0.00 O ATOM 1062 CB SER A 71 4.690 1.104 -12.240 1.00 0.00 C ATOM 1063 OG SER A 71 5.175 1.434 -13.538 1.00 0.00 O ATOM 0 H SER A 71 5.054 3.031 -10.719 1.00 0.00 H new ATOM 0 HA SER A 71 3.162 2.528 -12.683 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.508 1.160 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.334 0.074 -12.237 1.00 0.00 H new ATOM 0 HG SER A 71 5.897 0.818 -13.784 1.00 0.00 H new ATOM 1069 N PHE A 72 2.762 0.687 -9.963 1.00 0.00 N ATOM 1070 CA PHE A 72 1.799 -0.104 -9.215 1.00 0.00 C ATOM 1071 C PHE A 72 0.651 0.769 -8.706 1.00 0.00 C ATOM 1072 O PHE A 72 -0.333 0.257 -8.173 1.00 0.00 O ATOM 1073 CB PHE A 72 2.543 -0.698 -8.017 1.00 0.00 C ATOM 1074 CG PHE A 72 3.303 -1.988 -8.334 1.00 0.00 C ATOM 1075 CD1 PHE A 72 4.584 -1.928 -8.785 1.00 0.00 C ATOM 1076 CD2 PHE A 72 2.697 -3.193 -8.164 1.00 0.00 C ATOM 1077 CE1 PHE A 72 5.290 -3.125 -9.079 1.00 0.00 C ATOM 1078 CE2 PHE A 72 3.403 -4.390 -8.458 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.684 -4.331 -8.909 1.00 0.00 C ATOM 0 H PHE A 72 3.675 0.780 -9.518 1.00 0.00 H new ATOM 0 HA PHE A 72 1.375 -0.878 -9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.247 0.042 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.827 -0.897 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.065 -0.970 -8.920 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.679 -3.240 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.308 -3.078 -9.437 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.922 -5.347 -8.323 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.220 -5.241 -9.132 1.00 0.00 H new ATOM 1089 N LEU A 73 0.813 2.071 -8.888 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.198 3.020 -8.453 1.00 0.00 C ATOM 1091 C LEU A 73 -0.921 3.584 -9.678 1.00 0.00 C ATOM 1092 O LEU A 73 -0.401 3.528 -10.791 1.00 0.00 O ATOM 1093 CB LEU A 73 0.424 4.093 -7.558 1.00 0.00 C ATOM 1094 CG LEU A 73 1.099 3.592 -6.279 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.830 4.729 -5.563 1.00 0.00 C ATOM 1096 CD2 LEU A 73 0.091 2.892 -5.365 1.00 0.00 C ATOM 0 H LEU A 73 1.630 2.492 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.949 2.523 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.161 4.643 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.355 4.802 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 73 1.850 2.852 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.301 4.346 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.594 5.142 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.117 5.510 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.597 2.546 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.699 3.591 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.343 2.040 -5.888 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.110 4.114 -9.431 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.910 4.688 -10.499 1.00 0.00 C ATOM 1110 C LYS A 74 -3.514 6.011 -10.024 1.00 0.00 C ATOM 1111 O LYS A 74 -3.780 6.185 -8.836 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.950 3.679 -10.991 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.816 3.176 -9.834 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.253 3.686 -9.963 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.245 2.522 -10.003 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.632 3.027 -10.118 1.00 0.00 N ATOM 0 H LYS A 74 -2.539 4.158 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.285 4.914 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.582 4.143 -11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.448 2.837 -11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.813 2.086 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.392 3.508 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.488 4.340 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.351 4.284 -10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.017 1.871 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.145 1.920 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.293 2.224 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.851 3.629 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.728 3.583 -10.992 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.718 6.934 -11.002 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.285 8.236 -10.696 1.00 0.00 C ATOM 1132 C PRO A 75 -5.789 8.131 -10.434 1.00 0.00 C ATOM 1133 O PRO A 75 -6.573 7.949 -11.364 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.951 9.104 -11.899 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.619 8.141 -13.027 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.414 6.763 -12.420 1.00 0.00 C ATOM 0 HA PRO A 75 -3.875 8.669 -9.783 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.793 9.743 -12.166 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.108 9.761 -11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.426 8.119 -13.760 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.720 8.464 -13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.072 6.026 -12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.392 6.414 -12.567 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.145 8.251 -9.163 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.541 8.172 -8.767 1.00 0.00 C ATOM 1146 C TYR A 76 -8.333 9.365 -9.307 1.00 0.00 C ATOM 1147 O TYR A 76 -7.760 10.275 -9.905 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.549 8.219 -7.238 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.941 8.080 -6.618 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.707 6.964 -6.887 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.429 9.069 -5.790 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -11.017 6.833 -6.304 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -10.739 8.938 -5.207 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.469 7.826 -5.492 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.706 7.702 -4.941 1.00 0.00 O ATOM 0 H TYR A 76 -5.491 8.402 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.000 7.265 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.912 7.421 -6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.110 9.162 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.324 6.189 -7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.829 9.942 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.627 5.965 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.133 9.706 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.913 6.753 -4.812 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.636 9.323 -9.075 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.512 10.389 -9.530 1.00 0.00 C ATOM 1167 C ASN A 77 -11.698 10.513 -8.571 1.00 0.00 C ATOM 1168 O ASN A 77 -12.616 9.694 -8.605 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.061 10.093 -10.926 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.526 11.096 -11.950 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.468 11.681 -11.790 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.315 11.261 -13.009 1.00 0.00 N ATOM 0 H ASN A 77 -10.107 8.567 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.933 11.312 -9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.783 9.082 -11.223 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.150 10.132 -10.908 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.046 11.909 -13.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.188 10.739 -13.080 1.00 0.00 H new ATOM 1179 N PRO A 78 -11.640 11.570 -7.718 1.00 0.00 N ATOM 1180 CA PRO A 78 -12.698 11.811 -6.752 1.00 0.00 C ATOM 1181 C PRO A 78 -13.942 12.386 -7.433 1.00 0.00 C ATOM 1182 O PRO A 78 -14.921 12.719 -6.767 1.00 0.00 O ATOM 1183 CB PRO A 78 -12.090 12.758 -5.730 1.00 0.00 C ATOM 1184 CG PRO A 78 -10.877 13.377 -6.405 1.00 0.00 C ATOM 1185 CD PRO A 78 -10.569 12.560 -7.649 1.00 0.00 C ATOM 0 HA PRO A 78 -13.044 10.896 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.806 13.525 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.803 12.223 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.076 14.415 -6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.023 13.379 -5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.552 13.187 -8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.592 12.082 -7.577 1.00 0.00 H new ATOM 1193 N ARG A 79 -13.863 12.484 -8.752 1.00 0.00 N ATOM 1194 CA ARG A 79 -14.970 13.012 -9.531 1.00 0.00 C ATOM 1195 C ARG A 79 -15.535 11.930 -10.453 1.00 0.00 C ATOM 1196 O ARG A 79 -15.056 11.750 -11.571 1.00 0.00 O ATOM 1197 CB ARG A 79 -14.528 14.210 -10.373 1.00 0.00 C ATOM 1198 CG ARG A 79 -15.688 15.184 -10.593 1.00 0.00 C ATOM 1199 CD ARG A 79 -15.637 16.334 -9.585 1.00 0.00 C ATOM 1200 NE ARG A 79 -16.974 16.957 -9.460 1.00 0.00 N ATOM 1201 CZ ARG A 79 -17.508 17.778 -10.374 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -16.823 18.080 -11.485 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -18.728 18.297 -10.177 1.00 0.00 N ATOM 0 H ARG A 79 -13.049 12.207 -9.301 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.741 13.337 -8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.706 14.725 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.152 13.863 -11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.646 15.582 -11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.636 14.654 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.307 15.963 -8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.908 17.078 -9.906 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.523 16.748 -8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.895 17.685 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.230 18.705 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.250 18.067 -9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -19.135 18.922 -10.873 1.00 0.00 H new ATOM 1217 N ARG A 80 -16.546 11.237 -9.949 1.00 0.00 N ATOM 1218 CA ARG A 80 -17.181 10.177 -10.714 1.00 0.00 C ATOM 1219 C ARG A 80 -18.487 9.748 -10.042 1.00 0.00 C ATOM 1220 O ARG A 80 -18.863 8.578 -10.098 1.00 0.00 O ATOM 1221 CB ARG A 80 -16.259 8.963 -10.843 1.00 0.00 C ATOM 1222 CG ARG A 80 -15.670 8.574 -9.486 1.00 0.00 C ATOM 1223 CD ARG A 80 -14.950 7.227 -9.566 1.00 0.00 C ATOM 1224 NE ARG A 80 -15.378 6.357 -8.448 1.00 0.00 N ATOM 1225 CZ ARG A 80 -16.509 5.639 -8.445 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -17.333 5.682 -9.501 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -16.817 4.877 -7.386 1.00 0.00 N ATOM 0 H ARG A 80 -16.941 11.389 -9.021 1.00 0.00 H new ATOM 0 HA ARG A 80 -17.391 10.566 -11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.815 8.122 -11.256 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.453 9.187 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.973 9.344 -9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.465 8.522 -8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.170 6.744 -10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.871 7.379 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.774 6.300 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.099 6.261 -10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.194 5.135 -9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.190 4.844 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.678 4.331 -7.384 1.00 0.00 H new ATOM 1241 N SER A 81 -19.143 10.718 -9.422 1.00 0.00 N ATOM 1242 CA SER A 81 -20.399 10.455 -8.740 1.00 0.00 C ATOM 1243 C SER A 81 -21.158 11.764 -8.519 1.00 0.00 C ATOM 1244 O SER A 81 -20.632 12.844 -8.785 1.00 0.00 O ATOM 1245 CB SER A 81 -20.163 9.746 -7.405 1.00 0.00 C ATOM 1246 OG SER A 81 -19.665 10.635 -6.409 1.00 0.00 O ATOM 0 H SER A 81 -18.828 11.687 -9.378 1.00 0.00 H new ATOM 0 HA SER A 81 -20.998 9.797 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 81 -21.097 9.302 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 81 -19.456 8.929 -7.548 1.00 0.00 H new ATOM 0 HG SER A 81 -19.529 10.145 -5.571 1.00 0.00 H new ATOM 1252 N HIS A 82 -22.384 11.626 -8.035 1.00 0.00 N ATOM 1253 CA HIS A 82 -23.221 12.785 -7.776 1.00 0.00 C ATOM 1254 C HIS A 82 -22.846 13.396 -6.424 1.00 0.00 C ATOM 1255 O HIS A 82 -22.781 12.693 -5.417 1.00 0.00 O ATOM 1256 CB HIS A 82 -24.703 12.416 -7.869 1.00 0.00 C ATOM 1257 CG HIS A 82 -25.278 12.529 -9.261 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -25.468 11.434 -10.085 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -25.703 13.618 -9.964 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -25.983 11.856 -11.230 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -26.128 13.210 -11.153 1.00 0.00 N ATOM 0 H HIS A 82 -22.818 10.729 -7.816 1.00 0.00 H new ATOM 0 HA HIS A 82 -23.046 13.543 -8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -24.835 11.394 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -25.270 13.062 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -25.695 14.639 -9.612 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -26.243 11.237 -12.076 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -26.502 13.810 -11.888 1.00 0.00 H new ATOM 1269 N SER A 83 -22.610 14.700 -6.446 1.00 0.00 N ATOM 1270 CA SER A 83 -22.243 15.414 -5.235 1.00 0.00 C ATOM 1271 C SER A 83 -23.192 15.035 -4.096 1.00 0.00 C ATOM 1272 O SER A 83 -24.258 14.468 -4.334 1.00 0.00 O ATOM 1273 CB SER A 83 -22.263 16.927 -5.461 1.00 0.00 C ATOM 1274 OG SER A 83 -23.590 17.444 -5.500 1.00 0.00 O ATOM 0 H SER A 83 -22.666 15.280 -7.283 1.00 0.00 H new ATOM 0 HA SER A 83 -21.227 15.127 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.705 17.420 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 83 -21.755 17.160 -6.397 1.00 0.00 H new ATOM 0 HG SER A 83 -23.560 18.413 -5.644 1.00 0.00 H new ATOM 1280 N ASP A 84 -22.771 15.363 -2.884 1.00 0.00 N ATOM 1281 CA ASP A 84 -23.570 15.064 -1.707 1.00 0.00 C ATOM 1282 C ASP A 84 -23.747 13.549 -1.588 1.00 0.00 C ATOM 1283 O ASP A 84 -24.260 12.907 -2.503 1.00 0.00 O ATOM 1284 CB ASP A 84 -24.960 15.696 -1.811 1.00 0.00 C ATOM 1285 CG ASP A 84 -25.112 17.043 -1.101 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -24.285 17.307 -0.202 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -26.052 17.778 -1.474 1.00 0.00 O ATOM 0 H ASP A 84 -21.887 15.833 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 84 -23.054 15.468 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -25.205 15.828 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -25.691 15.000 -1.399 1.00 0.00 H new ATOM 1292 N ALA A 85 -23.313 13.023 -0.453 1.00 0.00 N ATOM 1293 CA ALA A 85 -23.417 11.595 -0.202 1.00 0.00 C ATOM 1294 C ALA A 85 -23.603 11.358 1.298 1.00 0.00 C ATOM 1295 O ALA A 85 -23.528 12.294 2.093 1.00 0.00 O ATOM 1296 CB ALA A 85 -22.178 10.888 -0.754 1.00 0.00 C ATOM 0 H ALA A 85 -22.888 13.559 0.304 1.00 0.00 H new ATOM 0 HA ALA A 85 -24.285 11.178 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -22.256 9.817 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -22.107 11.064 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -21.287 11.279 -0.263 1.00 0.00 H new ATOM 1302 N SER A 86 -23.842 10.100 1.641 1.00 0.00 N ATOM 1303 CA SER A 86 -24.040 9.728 3.031 1.00 0.00 C ATOM 1304 C SER A 86 -22.706 9.774 3.780 1.00 0.00 C ATOM 1305 O SER A 86 -21.648 9.586 3.182 1.00 0.00 O ATOM 1306 CB SER A 86 -24.665 8.336 3.145 1.00 0.00 C ATOM 1307 OG SER A 86 -26.084 8.377 3.023 1.00 0.00 O ATOM 0 H SER A 86 -23.903 9.326 0.980 1.00 0.00 H new ATOM 0 HA SER A 86 -24.728 10.443 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 86 -24.253 7.689 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.396 7.895 4.105 1.00 0.00 H new ATOM 0 HG SER A 86 -26.445 7.469 3.099 1.00 0.00 H new ATOM 1313 N SER A 87 -22.801 10.025 5.078 1.00 0.00 N ATOM 1314 CA SER A 87 -21.615 10.097 5.914 1.00 0.00 C ATOM 1315 C SER A 87 -22.018 10.147 7.389 1.00 0.00 C ATOM 1316 O SER A 87 -21.623 9.285 8.173 1.00 0.00 O ATOM 1317 CB SER A 87 -20.763 11.316 5.556 1.00 0.00 C ATOM 1318 OG SER A 87 -19.406 11.156 5.960 1.00 0.00 O ATOM 0 H SER A 87 -23.681 10.181 5.571 1.00 0.00 H new ATOM 0 HA SER A 87 -21.016 9.204 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 87 -20.804 11.483 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 87 -21.181 12.203 6.032 1.00 0.00 H new ATOM 0 HG SER A 87 -18.895 11.954 5.712 1.00 0.00 H new ATOM 1324 N GLY A 88 -22.799 11.163 7.723 1.00 0.00 N ATOM 1325 CA GLY A 88 -23.259 11.336 9.090 1.00 0.00 C ATOM 1326 C GLY A 88 -23.597 9.988 9.730 1.00 0.00 C ATOM 1327 O GLY A 88 -22.950 9.572 10.689 1.00 0.00 O ATOM 0 H GLY A 88 -23.125 11.875 7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -22.489 11.838 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -24.139 11.979 9.103 1.00 0.00 H new ATOM 1331 N PRO A 89 -24.637 9.325 9.157 1.00 0.00 N ATOM 1332 CA PRO A 89 -25.069 8.032 9.660 1.00 0.00 C ATOM 1333 C PRO A 89 -24.093 6.929 9.247 1.00 0.00 C ATOM 1334 O PRO A 89 -23.452 7.022 8.201 1.00 0.00 O ATOM 1335 CB PRO A 89 -26.464 7.834 9.092 1.00 0.00 C ATOM 1336 CG PRO A 89 -26.579 8.799 7.923 1.00 0.00 C ATOM 1337 CD PRO A 89 -25.427 9.786 8.019 1.00 0.00 C ATOM 0 HA PRO A 89 -25.088 7.990 10.749 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -26.610 6.805 8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -27.225 8.040 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -26.541 8.259 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -27.534 9.323 7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -24.835 9.794 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -25.789 10.803 8.174 1.00 0.00 H new ATOM 1345 N SER A 90 -24.011 5.909 10.089 1.00 0.00 N ATOM 1346 CA SER A 90 -23.124 4.789 9.824 1.00 0.00 C ATOM 1347 C SER A 90 -23.836 3.472 10.139 1.00 0.00 C ATOM 1348 O SER A 90 -24.364 3.295 11.235 1.00 0.00 O ATOM 1349 CB SER A 90 -21.834 4.903 10.639 1.00 0.00 C ATOM 1350 OG SER A 90 -22.014 4.476 11.986 1.00 0.00 O ATOM 0 H SER A 90 -24.544 5.835 10.955 1.00 0.00 H new ATOM 0 HA SER A 90 -22.857 4.807 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 90 -21.054 4.303 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 90 -21.489 5.937 10.629 1.00 0.00 H new ATOM 0 HG SER A 90 -21.168 4.562 12.472 1.00 0.00 H new ATOM 1356 N SER A 91 -23.826 2.582 9.157 1.00 0.00 N ATOM 1357 CA SER A 91 -24.464 1.286 9.316 1.00 0.00 C ATOM 1358 C SER A 91 -25.984 1.454 9.370 1.00 0.00 C ATOM 1359 O SER A 91 -26.698 0.966 8.496 1.00 0.00 O ATOM 1360 CB SER A 91 -23.963 0.576 10.575 1.00 0.00 C ATOM 1361 OG SER A 91 -22.548 0.667 10.712 1.00 0.00 O ATOM 0 H SER A 91 -23.386 2.733 8.249 1.00 0.00 H new ATOM 0 HA SER A 91 -24.204 0.669 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.441 1.013 11.452 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.257 -0.473 10.541 1.00 0.00 H new ATOM 0 HG SER A 91 -22.268 0.203 11.529 1.00 0.00 H new ATOM 1367 N GLY A 92 -26.434 2.147 10.406 1.00 0.00 N ATOM 1368 CA GLY A 92 -27.855 2.386 10.586 1.00 0.00 C ATOM 1369 C GLY A 92 -28.380 3.382 9.550 1.00 0.00 C ATOM 1370 O GLY A 92 -28.923 4.426 9.906 1.00 0.00 O ATOM 0 H GLY A 92 -25.839 2.551 11.129 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -28.399 1.446 10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -28.038 2.769 11.590 1.00 0.00 H new TER 1374 GLY A 92